HEADER DNA/RNA CHIMERIC HYBRID DUPLEX 05-DEC-94 100D 100D 2 COMPND DNA/RNA CHIMERIC HYBRID DUPLEX 100D 3 COMPND 2 (5'-R(*CP*)-D(*CP*GP*GP*CP*GP*CP*CP*GP*)-R(*G)-3') 100D 4 SOURCE SYNTHETIC 100D 5 AUTHOR C.BAN,B.RAMAKRISHNAN,M.SUNDARALINGAM 100D 6 REVDAT 1 31-MAR-95 100D 0 100D 7 JRNL AUTH C.BAN,B.RAMAKRISHNAN,M.SUNDARALINGAM 100D 8 JRNL TITL CRYSTAL STRUCTURE OF THE HIGHLY DISTORTED CHIMERIC 100D 9 JRNL TITL 2 DECAMER R(C)D(CGGCGCCG)R(G)-SPERMINE 100D 10 JRNL TITL 3 COMPLEX--SPERMINE BINDING TO PHOSPHATE ONLY AND 100D 11 JRNL TITL 4 MINOR GROOVE TERTIARY BASE-PAIRING 100D 12 JRNL REF NUCLEIC ACIDS RES. V. 22 5466 1994 100D 13 JRNL REFN ASTM NARHAD UK ISSN 0305-1048 0389 100D 14 REMARK 1 100D 15 REMARK 2 100D 16 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. 100D 17 REMARK 3 100D 18 REMARK 3 REFINEMENT. 100D 19 REMARK 3 PROGRAM X-PLOR 100D 20 REMARK 3 AUTHORS BRUNGER 100D 21 REMARK 3 R VALUE 0.145 100D 22 REMARK 3 RMSD BOND DISTANCES 0.015 ANGSTROMS 100D 23 REMARK 3 RMSD BOND ANGLES 3.80 DEGREES 100D 24 REMARK 3 100D 25 REMARK 3 NUMBER OF REFLECTIONS 2314 100D 26 REMARK 3 RESOLUTION RANGE 8.0 - 1.90 ANGSTROMS 100D 27 REMARK 3 DATA CUTOFF 1.0 SIGMA(F) 100D 28 REMARK 3 100D 29 REMARK 3 NUMBER OF ATOMS USED IN REFINEMENT. 100D 30 REMARK 3 NUMBER OF PROTEIN ATOMS 0 100D 31 REMARK 3 NUMBER OF NUCLEIC ACID ATOMS 408 100D 32 REMARK 3 NUMBER OF SOLVENT ATOMS 67 100D 33 REMARK 105 100D 34 REMARK 105 THE PROTEIN DATA BANK HAS ADOPTED THE SACCHARIDE CHEMISTS 100D 35 REMARK 105 NOMENCLATURE FOR ATOMS OF THE DEOXYRIBOSE/RIBOSE MOIETY 100D 36 REMARK 105 RATHER THAN THAT OF THE NUCLEOSIDE CHEMISTS. THE RING 100D 37 REMARK 105 OXYGEN ATOM IS LABELLED O4* INSTEAD OF O1*. 100D 38 REMARK 106 100D 39 REMARK 106 THE HYDROGEN BONDS BETWEEN BASE PAIRS IN THIS ENTRY FOLLOW 100D 40 REMARK 106 THE CONVENTIONAL WATSON-CRICK HYDROGEN BONDING PATTERN. 100D 41 REMARK 106 THEY HAVE NOT BEEN PRESENTED ON *CONECT* RECORDS IN THIS 100D 42 REMARK 106 ENTRY. 100D 43 SEQRES 1 A 10 C C G G C G C C G G 100D 44 SEQRES 1 B 10 C C G G C G C C G G 100D 45 HET SPM 21 14 SPERMINE 100D 46 FORMUL 3 SPM C10 H26 N4 100D 47 FORMUL 4 HOH *67(H2 O1) 100D 48 CRYST1 23.980 40.770 44.840 90.00 90.00 90.00 P 21 21 21 8 100D 49 ORIGX1 1.000000 0.000000 0.000000 0.00000 100D 50 ORIGX2 0.000000 1.000000 0.000000 0.00000 100D 51 ORIGX3 0.000000 0.000000 1.000000 0.00000 100D 52 SCALE1 0.041701 0.000000 0.000000 0.00000 100D 53 SCALE2 0.000000 0.024528 0.000000 0.00000 100D 54 SCALE3 0.000000 0.000000 0.022302 0.00000 100D 55 ATOM 1 O5* C A 1 -4.549 5.095 4.262 1.00 28.71 100D 56 ATOM 2 C5* C A 1 -4.176 6.323 3.646 1.00 27.35 100D 57 ATOM 3 C4* C A 1 -3.853 7.410 4.672 1.00 24.41 100D 58 ATOM 4 O4* C A 1 -4.992 7.650 5.512 1.00 22.53 100D 59 ATOM 5 C3* C A 1 -2.713 7.010 5.605 1.00 23.56 100D 60 ATOM 6 O3* C A 1 -1.379 7.127 5.060 1.00 21.02 100D 61 ATOM 7 C2* C A 1 -2.950 7.949 6.756 1.00 23.73 100D 62 ATOM 8 O2* C A 1 -2.407 9.267 6.554 1.00 23.93 100D 63 ATOM 9 C1* C A 1 -4.489 7.917 6.825 1.00 20.60 100D 64 ATOM 10 N1 C A 1 -4.931 6.902 7.826 1.00 19.25 100D 65 ATOM 11 C2 C A 1 -4.838 7.263 9.158 1.00 16.72 100D 66 ATOM 12 O2 C A 1 -4.287 8.308 9.505 1.00 15.49 100D 67 ATOM 13 N3 C A 1 -5.367 6.448 10.085 1.00 15.96 100D 68 ATOM 14 C4 C A 1 -5.978 5.310 9.736 1.00 16.84 100D 69 ATOM 15 N4 C A 1 -6.592 4.588 10.676 1.00 19.14 100D 70 ATOM 16 C5 C A 1 -6.059 4.907 8.376 1.00 17.68 100D 71 ATOM 17 C6 C A 1 -5.522 5.732 7.461 1.00 17.68 100D 72 ATOM 18 P C A 2 -0.178 6.220 5.647 1.00 24.85 100D 73 ATOM 19 O1P C A 2 -0.948 4.954 5.664 1.00 24.57 100D 74 ATOM 20 O2P C A 2 0.915 6.451 4.671 1.00 25.96 100D 75 ATOM 21 O5* C A 2 0.435 6.502 7.097 1.00 24.10 100D 76 ATOM 22 C5* C A 2 1.020 7.793 7.281 1.00 19.66 100D 77 ATOM 23 C4* C A 2 1.034 8.184 8.738 1.00 17.99 100D 78 ATOM 24 O4* C A 2 -0.290 8.244 9.222 1.00 17.23 100D 79 ATOM 25 C3* C A 2 1.724 7.167 9.617 1.00 18.98 100D 80 ATOM 26 O3* C A 2 3.130 7.395 9.564 1.00 18.39 100D 81 ATOM 27 C2* C A 2 1.152 7.607 10.934 1.00 17.33 100D 82 ATOM 28 C1* C A 2 -0.273 7.853 10.599 1.00 15.44 100D 83 ATOM 29 N1 C A 2 -1.070 6.635 10.823 1.00 14.48 100D 84 ATOM 30 C2 C A 2 -1.417 6.355 12.130 1.00 13.03 100D 85 ATOM 31 O2 C A 2 -1.007 7.022 13.094 1.00 11.15 100D 86 ATOM 32 N3 C A 2 -2.233 5.297 12.333 1.00 11.95 100D 87 ATOM 33 C4 C A 2 -2.681 4.542 11.344 1.00 11.37 100D 88 ATOM 34 N4 C A 2 -3.532 3.569 11.652 1.00 11.93 100D 89 ATOM 35 C5 C A 2 -2.314 4.796 9.986 1.00 11.95 100D 90 ATOM 36 C6 C A 2 -1.510 5.853 9.776 1.00 11.94 100D 91 ATOM 37 P G A 3 4.177 6.440 10.285 1.00 21.10 100D 92 ATOM 38 O1P G A 3 3.681 5.183 9.686 1.00 14.50 100D 93 ATOM 39 O2P G A 3 5.469 7.004 9.830 1.00 21.52 100D 94 ATOM 40 O5* G A 3 4.378 6.142 11.832 1.00 19.95 100D 95 ATOM 41 C5* G A 3 4.654 7.213 12.730 1.00 17.61 100D 96 ATOM 42 C4* G A 3 4.016 6.885 14.035 1.00 17.62 100D 97 ATOM 43 O4* G A 3 2.614 6.626 13.799 1.00 16.77 100D 98 ATOM 44 C3* G A 3 4.595 5.586 14.598 1.00 16.31 100D 99 ATOM 45 O3* G A 3 5.774 5.836 15.353 1.00 18.86 100D 100 ATOM 46 C2* G A 3 3.484 5.274 15.528 1.00 17.71 100D 101 ATOM 47 C1* G A 3 2.243 5.627 14.740 1.00 16.27 100D 102 ATOM 48 N9 G A 3 1.615 4.437 14.168 1.00 11.63 100D 103 ATOM 49 C8 G A 3 1.389 4.110 12.865 1.00 10.83 100D 104 ATOM 50 N7 G A 3 0.474 3.204 12.690 1.00 12.03 100D 105 ATOM 51 C5 G A 3 0.093 2.891 13.972 1.00 9.28 100D 106 ATOM 52 C6 G A 3 -0.792 1.917 14.408 1.00 6.67 100D 107 ATOM 53 O6 G A 3 -1.528 1.253 13.693 1.00 11.90 100D 108 ATOM 54 N1 G A 3 -0.833 1.822 15.808 1.00 7.48 100D 109 ATOM 55 C2 G A 3 -0.098 2.583 16.686 1.00 7.12 100D 110 ATOM 56 N2 G A 3 -0.228 2.346 17.999 1.00 2.92 100D 111 ATOM 57 N3 G A 3 0.745 3.531 16.259 1.00 7.08 100D 112 ATOM 58 C4 G A 3 0.788 3.626 14.894 1.00 12.36 100D 113 ATOM 59 P G A 4 6.647 4.633 15.976 1.00 19.10 100D 114 ATOM 60 O1P G A 4 6.811 3.466 15.083 1.00 20.41 100D 115 ATOM 61 O2P G A 4 7.834 5.387 16.410 1.00 21.78 100D 116 ATOM 62 O5* G A 4 5.837 4.160 17.304 1.00 19.69 100D 117 ATOM 63 C5* G A 4 5.832 4.777 18.613 1.00 14.70 100D 118 ATOM 64 C4* G A 4 5.349 3.746 19.615 1.00 15.74 100D 119 ATOM 65 O4* G A 4 4.014 3.339 19.320 1.00 15.71 100D 120 ATOM 66 C3* G A 4 6.144 2.446 19.549 1.00 14.86 100D 121 ATOM 67 O3* G A 4 7.442 2.553 20.185 1.00 20.22 100D 122 ATOM 68 C2* G A 4 5.194 1.467 20.191 1.00 13.42 100D 123 ATOM 69 C1* G A 4 3.886 1.904 19.582 1.00 13.10 100D 124 ATOM 70 N9 G A 4 3.496 1.232 18.319 1.00 11.82 100D 125 ATOM 71 C8 G A 4 3.617 1.742 17.054 1.00 8.09 100D 126 ATOM 72 N7 G A 4 2.902 1.118 16.167 1.00 11.07 100D 127 ATOM 73 C5 G A 4 2.252 0.091 16.894 1.00 11.16 100D 128 ATOM 74 C6 G A 4 1.310 -0.920 16.456 1.00 9.75 100D 129 ATOM 75 O6 G A 4 0.888 -1.151 15.321 1.00 9.97 100D 130 ATOM 76 N1 G A 4 0.906 -1.749 17.502 1.00 8.27 100D 131 ATOM 77 C2 G A 4 1.340 -1.630 18.818 1.00 8.31 100D 132 ATOM 78 N2 G A 4 0.852 -2.494 19.717 1.00 6.42 100D 133 ATOM 79 N3 G A 4 2.218 -0.681 19.223 1.00 9.10 100D 134 ATOM 80 C4 G A 4 2.629 0.144 18.209 1.00 10.34 100D 135 ATOM 81 P C A 5 8.623 1.481 19.918 1.00 16.11 100D 136 ATOM 82 O1P C A 5 8.908 1.639 18.468 1.00 19.79 100D 137 ATOM 83 O2P C A 5 9.474 2.225 20.879 1.00 21.84 100D 138 ATOM 84 O5* C A 5 8.728 -0.072 20.325 1.00 19.47 100D 139 ATOM 85 C5* C A 5 8.554 -1.158 19.407 1.00 15.29 100D 140 ATOM 86 C4* C A 5 7.470 -2.178 19.802 1.00 12.49 100D 141 ATOM 87 O4* C A 5 6.161 -1.717 19.496 1.00 12.55 100D 142 ATOM 88 C3* C A 5 7.697 -3.468 19.046 1.00 11.96 100D 143 ATOM 89 O3* C A 5 8.775 -4.194 19.666 1.00 14.17 100D 144 ATOM 90 C2* C A 5 6.342 -4.056 19.192 1.00 10.58 100D 145 ATOM 91 C1* C A 5 5.464 -2.822 18.946 1.00 10.97 100D 146 ATOM 92 N1 C A 5 5.142 -2.576 17.527 1.00 12.08 100D 147 ATOM 93 C2 C A 5 4.179 -3.389 16.962 1.00 12.60 100D 148 ATOM 94 O2 C A 5 3.695 -4.327 17.591 1.00 10.69 100D 149 ATOM 95 N3 C A 5 3.792 -3.162 15.680 1.00 10.73 100D 150 ATOM 96 C4 C A 5 4.335 -2.176 14.967 1.00 10.86 100D 151 ATOM 97 N4 C A 5 3.833 -1.904 13.765 1.00 7.57 100D 152 ATOM 98 C5 C A 5 5.346 -1.339 15.528 1.00 12.31 100D 153 ATOM 99 C6 C A 5 5.709 -1.571 16.800 1.00 10.26 100D 154 ATOM 100 P G A 6 9.797 -5.058 18.800 1.00 14.87 100D 155 ATOM 101 O1P G A 6 10.144 -4.575 17.432 1.00 10.67 100D 156 ATOM 102 O2P G A 6 10.851 -5.532 19.718 1.00 14.32 100D 157 ATOM 103 O5* G A 6 8.762 -6.277 18.626 1.00 15.18 100D 158 ATOM 104 C5* G A 6 8.679 -7.438 19.428 1.00 15.40 100D 159 ATOM 105 C4* G A 6 7.717 -8.446 18.789 1.00 15.34 100D 160 ATOM 106 O4* G A 6 6.431 -7.834 18.520 1.00 16.46 100D 161 ATOM 107 C3* G A 6 8.150 -9.052 17.449 1.00 16.54 100D 162 ATOM 108 O3* G A 6 9.172 -10.043 17.595 1.00 18.58 100D 163 ATOM 109 C2* G A 6 6.796 -9.650 17.066 1.00 17.79 100D 164 ATOM 110 C1* G A 6 5.804 -8.517 17.397 1.00 13.96 100D 165 ATOM 111 N9 G A 6 5.801 -7.550 16.290 1.00 13.78 100D 166 ATOM 112 C8 G A 6 6.477 -6.339 16.189 1.00 11.32 100D 167 ATOM 113 N7 G A 6 6.114 -5.628 15.161 1.00 11.53 100D 168 ATOM 114 C5 G A 6 5.137 -6.431 14.528 1.00 15.14 100D 169 ATOM 115 C6 G A 6 4.442 -6.239 13.291 1.00 14.51 100D 170 ATOM 116 O6 G A 6 4.382 -5.224 12.595 1.00 15.52 100D 171 ATOM 117 N1 G A 6 3.678 -7.348 12.942 1.00 15.78 100D 172 ATOM 118 C2 G A 6 3.558 -8.503 13.679 1.00 16.04 100D 173 ATOM 119 N2 G A 6 2.732 -9.421 13.210 1.00 15.11 100D 174 ATOM 120 N3 G A 6 4.187 -8.691 14.842 1.00 14.81 100D 175 ATOM 121 C4 G A 6 4.959 -7.617 15.206 1.00 13.90 100D 176 ATOM 122 P C A 7 10.498 -10.100 16.665 1.00 17.81 100D 177 ATOM 123 O1P C A 7 11.084 -8.759 16.374 1.00 20.08 100D 178 ATOM 124 O2P C A 7 11.307 -11.102 17.394 1.00 17.82 100D 179 ATOM 125 O5* C A 7 9.986 -10.722 15.264 1.00 17.30 100D 180 ATOM 126 C5* C A 7 9.312 -11.986 15.170 1.00 16.36 100D 181 ATOM 127 C4* C A 7 8.436 -12.095 13.916 1.00 15.85 100D 182 ATOM 128 O4* C A 7 7.361 -11.148 13.955 1.00 16.34 100D 183 ATOM 129 C3* C A 7 9.165 -11.823 12.595 1.00 14.83 100D 184 ATOM 130 O3* C A 7 10.003 -12.907 12.161 1.00 16.25 100D 185 ATOM 131 C2* C A 7 7.973 -11.600 11.717 1.00 11.20 100D 186 ATOM 132 C1* C A 7 7.076 -10.772 12.582 1.00 10.61 100D 187 ATOM 133 N1 C A 7 7.217 -9.334 12.285 1.00 7.65 100D 188 ATOM 134 C2 C A 7 6.458 -8.793 11.230 1.00 10.22 100D 189 ATOM 135 O2 C A 7 5.771 -9.507 10.500 1.00 15.05 100D 190 ATOM 136 N3 C A 7 6.567 -7.461 10.942 1.00 6.65 100D 191 ATOM 137 C4 C A 7 7.403 -6.694 11.658 1.00 5.07 100D 192 ATOM 138 N4 C A 7 7.447 -5.391 11.420 1.00 4.65 100D 193 ATOM 139 C5 C A 7 8.188 -7.242 12.730 1.00 4.20 100D 194 ATOM 140 C6 C A 7 8.053 -8.558 13.000 1.00 6.45 100D 195 ATOM 141 P C A 8 11.175 -12.651 11.083 1.00 18.77 100D 196 ATOM 142 O1P C A 8 12.020 -11.472 11.376 1.00 20.24 100D 197 ATOM 143 O2P C A 8 11.871 -13.952 10.908 1.00 20.04 100D 198 ATOM 144 O5* C A 8 10.469 -12.357 9.649 1.00 18.79 100D 199 ATOM 145 C5* C A 8 9.733 -13.334 8.924 1.00 12.85 100D 200 ATOM 146 C4* C A 8 8.867 -12.647 7.941 1.00 14.40 100D 201 ATOM 147 O4* C A 8 8.156 -11.587 8.589 1.00 10.91 100D 202 ATOM 148 C3* C A 8 9.598 -11.936 6.845 1.00 14.90 100D 203 ATOM 149 O3* C A 8 10.249 -12.831 5.936 1.00 15.23 100D 204 ATOM 150 C2* C A 8 8.377 -11.232 6.304 1.00 9.34 100D 205 ATOM 151 C1* C A 8 7.789 -10.648 7.568 1.00 8.80 100D 206 ATOM 152 N1 C A 8 8.297 -9.310 7.883 1.00 6.87 100D 207 ATOM 153 C2 C A 8 7.867 -8.224 7.123 1.00 9.10 100D 208 ATOM 154 O2 C A 8 7.226 -8.387 6.080 1.00 7.86 100D 209 ATOM 155 N3 C A 8 8.296 -6.966 7.459 1.00 7.75 100D 210 ATOM 156 C4 C A 8 9.147 -6.784 8.485 1.00 9.21 100D 211 ATOM 157 N4 C A 8 9.589 -5.560 8.779 1.00 7.67 100D 212 ATOM 158 C5 C A 8 9.609 -7.891 9.258 1.00 7.40 100D 213 ATOM 159 C6 C A 8 9.156 -9.121 8.923 1.00 9.24 100D 214 ATOM 160 P G A 9 11.518 -12.329 5.128 1.00 14.64 100D 215 ATOM 161 O1P G A 9 12.558 -11.435 5.714 1.00 16.33 100D 216 ATOM 162 O2P G A 9 11.889 -13.707 4.763 1.00 17.77 100D 217 ATOM 163 O5* G A 9 10.890 -11.645 3.793 1.00 13.73 100D 218 ATOM 164 C5* G A 9 10.098 -12.334 2.826 1.00 10.04 100D 219 ATOM 165 C4* G A 9 9.322 -11.365 2.036 1.00 8.60 100D 220 ATOM 166 O4* G A 9 8.636 -10.420 2.864 1.00 9.95 100D 221 ATOM 167 C3* G A 9 10.183 -10.481 1.201 1.00 11.49 100D 222 ATOM 168 O3* G A 9 10.786 -11.138 0.073 1.00 12.29 100D 223 ATOM 169 C2* G A 9 9.103 -9.503 0.858 1.00 7.88 100D 224 ATOM 170 C1* G A 9 8.570 -9.111 2.181 1.00 8.58 100D 225 ATOM 171 N9 G A 9 9.338 -8.006 2.891 1.00 5.76 100D 226 ATOM 172 C8 G A 9 10.079 -8.162 4.036 1.00 7.27 100D 227 ATOM 173 N7 G A 9 10.578 -7.077 4.541 1.00 5.05 100D 228 ATOM 174 C5 G A 9 10.143 -6.100 3.664 1.00 6.30 100D 229 ATOM 175 C6 G A 9 10.387 -4.694 3.690 1.00 6.32 100D 230 ATOM 176 O6 G A 9 10.988 -4.056 4.538 1.00 8.77 100D 231 ATOM 177 N1 G A 9 9.805 -4.022 2.632 1.00 5.02 100D 232 ATOM 178 C2 G A 9 9.072 -4.651 1.658 1.00 7.22 100D 233 ATOM 179 N2 G A 9 8.590 -3.921 0.680 1.00 5.13 100D 234 ATOM 180 N3 G A 9 8.837 -5.970 1.631 1.00 8.90 100D 235 ATOM 181 C4 G A 9 9.395 -6.649 2.656 1.00 5.39 100D 236 ATOM 182 P G A 10 12.244 -10.723 -0.414 1.00 18.00 100D 237 ATOM 183 O1P G A 10 13.525 -10.237 0.168 1.00 21.55 100D 238 ATOM 184 O2P G A 10 12.221 -11.870 -1.354 1.00 19.65 100D 239 ATOM 185 O5* G A 10 11.507 -9.424 -1.092 1.00 18.23 100D 240 ATOM 186 C5* G A 10 10.721 -9.357 -2.288 1.00 18.20 100D 241 ATOM 187 C4* G A 10 10.589 -7.934 -2.878 1.00 17.37 100D 242 ATOM 188 O4* G A 10 10.102 -6.968 -1.936 1.00 15.12 100D 243 ATOM 189 C3* G A 10 11.859 -7.317 -3.471 1.00 17.88 100D 244 ATOM 190 O3* G A 10 12.164 -7.754 -4.846 1.00 16.65 100D 245 ATOM 191 C2* G A 10 11.470 -5.841 -3.464 1.00 16.83 100D 246 ATOM 192 O2* G A 10 10.607 -5.618 -4.583 1.00 18.75 100D 247 ATOM 193 C1* G A 10 10.721 -5.691 -2.168 1.00 15.79 100D 248 ATOM 194 N9 G A 10 11.582 -5.303 -1.017 1.00 15.40 100D 249 ATOM 195 C8 G A 10 12.179 -6.115 -0.061 1.00 15.00 100D 250 ATOM 196 N7 G A 10 12.826 -5.480 0.870 1.00 12.61 100D 251 ATOM 197 C5 G A 10 12.635 -4.148 0.522 1.00 13.15 100D 252 ATOM 198 C6 G A 10 13.133 -2.991 1.159 1.00 11.89 100D 253 ATOM 199 O6 G A 10 13.713 -2.965 2.241 1.00 12.64 100D 254 ATOM 200 N1 G A 10 12.806 -1.814 0.462 1.00 9.10 100D 255 ATOM 201 C2 G A 10 12.079 -1.777 -0.689 1.00 10.96 100D 256 ATOM 202 N2 G A 10 11.851 -0.582 -1.197 1.00 11.87 100D 257 ATOM 203 N3 G A 10 11.588 -2.874 -1.294 1.00 12.41 100D 258 ATOM 204 C4 G A 10 11.899 -4.020 -0.633 1.00 13.44 100D 259 TER 205 G A 10 100D 260 ATOM 206 O5* C B 11 14.526 5.793 4.007 1.00 18.48 100D 261 ATOM 207 C5* C B 11 14.531 6.777 2.948 1.00 17.64 100D 262 ATOM 208 C4* C B 11 14.028 6.161 1.616 1.00 17.23 100D 263 ATOM 209 O4* C B 11 14.808 4.991 1.256 1.00 16.55 100D 264 ATOM 210 C3* C B 11 12.611 5.611 1.737 1.00 17.97 100D 265 ATOM 211 O3* C B 11 11.508 6.538 1.711 1.00 18.76 100D 266 ATOM 212 C2* C B 11 12.546 4.594 0.654 1.00 14.10 100D 267 ATOM 213 O2* C B 11 12.366 5.290 -0.579 1.00 13.63 100D 268 ATOM 214 C1* C B 11 13.918 3.977 0.766 1.00 14.14 100D 269 ATOM 215 N1 C B 11 13.988 2.735 1.589 1.00 16.99 100D 270 ATOM 216 C2 C B 11 13.552 1.541 1.023 1.00 15.65 100D 271 ATOM 217 O2 C B 11 12.869 1.532 0.006 1.00 14.94 100D 272 ATOM 218 N3 C B 11 13.773 0.359 1.678 1.00 16.15 100D 273 ATOM 219 C4 C B 11 14.386 0.347 2.865 1.00 16.53 100D 274 ATOM 220 N4 C B 11 14.619 -0.822 3.476 1.00 18.43 100D 275 ATOM 221 C5 C B 11 14.816 1.571 3.473 1.00 16.78 100D 276 ATOM 222 C6 C B 11 14.597 2.724 2.804 1.00 15.01 100D 277 ATOM 223 P C B 12 10.233 6.143 2.644 1.00 21.42 100D 278 ATOM 224 O1P C B 12 10.077 5.869 4.079 1.00 22.13 100D 279 ATOM 225 O2P C B 12 9.634 7.406 2.139 1.00 21.29 100D 280 ATOM 226 O5* C B 12 9.636 4.841 1.804 1.00 20.84 100D 281 ATOM 227 C5* C B 12 8.999 5.040 0.519 1.00 19.83 100D 282 ATOM 228 C4* C B 12 8.512 3.757 -0.108 1.00 18.55 100D 283 ATOM 229 O4* C B 12 9.529 2.733 -0.171 1.00 19.79 100D 284 ATOM 230 C3* C B 12 7.498 3.211 0.801 1.00 18.00 100D 285 ATOM 231 O3* C B 12 6.305 3.969 0.629 1.00 19.14 100D 286 ATOM 232 C2* C B 12 7.475 1.788 0.344 1.00 15.87 100D 287 ATOM 233 C1* C B 12 8.913 1.473 0.156 1.00 15.45 100D 288 ATOM 234 N1 C B 12 9.527 0.825 1.326 1.00 15.29 100D 289 ATOM 235 C2 C B 12 9.472 -0.563 1.382 1.00 14.49 100D 290 ATOM 236 O2 C B 12 8.922 -1.257 0.518 1.00 17.30 100D 291 ATOM 237 N3 C B 12 10.055 -1.190 2.418 1.00 11.60 100D 292 ATOM 238 C4 C B 12 10.676 -0.500 3.383 1.00 15.58 100D 293 ATOM 239 N4 C B 12 11.164 -1.186 4.430 1.00 14.28 100D 294 ATOM 240 C5 C B 12 10.760 0.927 3.341 1.00 15.60 100D 295 ATOM 241 C6 C B 12 10.166 1.544 2.298 1.00 15.73 100D 296 ATOM 242 P G B 13 4.970 3.543 1.371 1.00 21.52 100D 297 ATOM 243 O1P G B 13 5.322 3.646 2.816 1.00 21.67 100D 298 ATOM 244 O2P G B 13 4.172 4.637 0.743 1.00 22.41 100D 299 ATOM 245 O5* G B 13 4.263 2.118 1.102 1.00 18.28 100D 300 ATOM 246 C5* G B 13 3.977 1.214 2.153 1.00 12.90 100D 301 ATOM 247 C4* G B 13 3.997 -0.166 1.554 1.00 15.74 100D 302 ATOM 248 O4* G B 13 5.326 -0.638 1.288 1.00 15.41 100D 303 ATOM 249 C3* G B 13 3.328 -1.110 2.479 1.00 14.99 100D 304 ATOM 250 O3* G B 13 1.948 -0.901 2.181 1.00 18.56 100D 305 ATOM 251 C2* G B 13 3.943 -2.416 1.990 1.00 14.49 100D 306 ATOM 252 C1* G B 13 5.414 -2.020 1.777 1.00 12.61 100D 307 ATOM 253 N9 G B 13 6.185 -2.069 3.050 1.00 9.23 100D 308 ATOM 254 C8 G B 13 6.745 -1.032 3.745 1.00 8.94 100D 309 ATOM 255 N7 G B 13 7.370 -1.389 4.833 1.00 7.30 100D 310 ATOM 256 C5 G B 13 7.209 -2.767 4.877 1.00 8.43 100D 311 ATOM 257 C6 G B 13 7.692 -3.719 5.823 1.00 9.75 100D 312 ATOM 258 O6 G B 13 8.258 -3.536 6.903 1.00 14.29 100D 313 ATOM 259 N1 G B 13 7.361 -5.014 5.443 1.00 5.73 100D 314 ATOM 260 C2 G B 13 6.655 -5.359 4.323 1.00 2.65 100D 315 ATOM 261 N2 G B 13 6.506 -6.654 4.079 1.00 2.15 100D 316 ATOM 262 N3 G B 13 6.190 -4.477 3.470 1.00 2.55 100D 317 ATOM 263 C4 G B 13 6.497 -3.198 3.793 1.00 6.08 100D 318 ATOM 264 P G B 14 0.784 -1.093 3.255 1.00 15.78 100D 319 ATOM 265 O1P G B 14 0.951 -0.425 4.562 1.00 16.99 100D 320 ATOM 266 O2P G B 14 -0.388 -0.771 2.418 1.00 12.44 100D 321 ATOM 267 O5* G B 14 0.825 -2.666 3.590 1.00 12.34 100D 322 ATOM 268 C5* G B 14 0.518 -3.657 2.618 1.00 15.26 100D 323 ATOM 269 C4* G B 14 0.962 -5.042 3.026 1.00 11.81 100D 324 ATOM 270 O4* G B 14 2.388 -5.092 3.261 1.00 14.56 100D 325 ATOM 271 C3* G B 14 0.298 -5.494 4.281 1.00 10.90 100D 326 ATOM 272 O3* G B 14 -1.014 -5.933 3.977 1.00 16.35 100D 327 ATOM 273 C2* G B 14 1.223 -6.607 4.600 1.00 8.75 100D 328 ATOM 274 C1* G B 14 2.583 -6.029 4.341 1.00 8.31 100D 329 ATOM 275 N9 G B 14 3.152 -5.336 5.518 1.00 6.83 100D 330 ATOM 276 C8 G B 14 3.420 -4.010 5.692 1.00 4.36 100D 331 ATOM 277 N7 G B 14 4.172 -3.751 6.719 1.00 5.76 100D 332 ATOM 278 C5 G B 14 4.412 -5.012 7.281 1.00 8.36 100D 333 ATOM 279 C6 G B 14 5.175 -5.383 8.425 1.00 10.81 100D 334 ATOM 280 O6 G B 14 5.939 -4.687 9.102 1.00 10.46 100D 335 ATOM 281 N1 G B 14 5.100 -6.738 8.655 1.00 7.70 100D 336 ATOM 282 C2 G B 14 4.415 -7.650 7.890 1.00 6.88 100D 337 ATOM 283 N2 G B 14 4.444 -8.925 8.254 1.00 4.21 100D 338 ATOM 284 N3 G B 14 3.730 -7.316 6.805 1.00 7.97 100D 339 ATOM 285 C4 G B 14 3.774 -5.982 6.566 1.00 7.79 100D 340 ATOM 286 P C B 15 -2.108 -5.846 5.127 1.00 18.17 100D 341 ATOM 287 O1P C B 15 -2.242 -4.630 5.951 1.00 23.09 100D 342 ATOM 288 O2P C B 15 -3.198 -6.237 4.195 1.00 23.53 100D 343 ATOM 289 O5* C B 15 -1.783 -7.100 6.053 1.00 20.88 100D 344 ATOM 290 C5* C B 15 -2.023 -8.439 5.585 1.00 16.99 100D 345 ATOM 291 C4* C B 15 -1.560 -9.527 6.542 1.00 16.47 100D 346 ATOM 292 O4* C B 15 -0.145 -9.414 6.793 1.00 14.34 100D 347 ATOM 293 C3* C B 15 -2.235 -9.419 7.903 1.00 17.63 100D 348 ATOM 294 O3* C B 15 -3.580 -9.983 8.004 1.00 16.81 100D 349 ATOM 295 C2* C B 15 -1.174 -10.022 8.803 1.00 12.88 100D 350 ATOM 296 C1* C B 15 0.116 -9.496 8.210 1.00 14.19 100D 351 ATOM 297 N1 C B 15 0.594 -8.193 8.784 1.00 10.36 100D 352 ATOM 298 C2 C B 15 1.420 -8.271 9.913 1.00 13.07 100D 353 ATOM 299 O2 C B 15 1.626 -9.323 10.519 1.00 11.62 100D 354 ATOM 300 N3 C B 15 1.985 -7.143 10.391 1.00 9.60 100D 355 ATOM 301 C4 C B 15 1.755 -5.962 9.810 1.00 9.75 100D 356 ATOM 302 N4 C B 15 2.507 -4.945 10.242 1.00 10.36 100D 357 ATOM 303 C5 C B 15 0.883 -5.835 8.681 1.00 8.80 100D 358 ATOM 304 C6 C B 15 0.336 -6.973 8.201 1.00 11.04 100D 359 ATOM 305 P G B 16 -4.447 -9.204 9.118 1.00 23.27 100D 360 ATOM 306 O1P G B 16 -4.614 -7.887 8.455 1.00 24.12 100D 361 ATOM 307 O2P G B 16 -5.486 -10.240 8.913 1.00 22.76 100D 362 ATOM 308 O5* G B 16 -4.232 -8.798 10.672 1.00 18.16 100D 363 ATOM 309 C5* G B 16 -4.091 -9.850 11.581 1.00 18.35 100D 364 ATOM 310 C4* G B 16 -3.224 -9.555 12.771 1.00 17.50 100D 365 ATOM 311 O4* G B 16 -1.873 -9.267 12.423 1.00 15.59 100D 366 ATOM 312 C3* G B 16 -3.673 -8.498 13.727 1.00 17.67 100D 367 ATOM 313 O3* G B 16 -4.857 -8.945 14.432 1.00 23.53 100D 368 ATOM 314 C2* G B 16 -2.423 -8.573 14.568 1.00 16.53 100D 369 ATOM 315 C1* G B 16 -1.278 -8.659 13.568 1.00 15.43 100D 370 ATOM 316 N9 G B 16 -0.792 -7.342 13.150 1.00 14.23 100D 371 ATOM 317 C8 G B 16 -1.064 -6.617 12.000 1.00 13.86 100D 372 ATOM 318 N7 G B 16 -0.426 -5.487 11.941 1.00 10.67 100D 373 ATOM 319 C5 G B 16 0.313 -5.477 13.124 1.00 13.65 100D 374 ATOM 320 C6 G B 16 1.184 -4.501 13.652 1.00 10.61 100D 375 ATOM 321 O6 G B 16 1.552 -3.475 13.129 1.00 10.52 100D 376 ATOM 322 N1 G B 16 1.683 -4.846 14.894 1.00 14.28 100D 377 ATOM 323 C2 G B 16 1.388 -6.009 15.567 1.00 12.13 100D 378 ATOM 324 N2 G B 16 1.910 -6.217 16.766 1.00 10.28 100D 379 ATOM 325 N3 G B 16 0.578 -6.929 15.063 1.00 15.53 100D 380 ATOM 326 C4 G B 16 0.082 -6.603 13.853 1.00 12.03 100D 381 ATOM 327 P C B 17 -6.006 -7.956 15.048 1.00 19.94 100D 382 ATOM 328 O1P C B 17 -6.441 -6.892 14.132 1.00 21.49 100D 383 ATOM 329 O2P C B 17 -6.749 -9.243 15.142 1.00 18.85 100D 384 ATOM 330 O5* C B 17 -5.598 -7.385 16.536 1.00 17.70 100D 385 ATOM 331 C5* C B 17 -5.483 -8.267 17.659 1.00 17.29 100D 386 ATOM 332 C4* C B 17 -4.462 -7.850 18.701 1.00 19.19 100D 387 ATOM 333 O4* C B 17 -3.142 -7.783 18.121 1.00 20.08 100D 388 ATOM 334 C3* C B 17 -4.754 -6.460 19.204 1.00 21.26 100D 389 ATOM 335 O3* C B 17 -5.866 -6.375 20.121 1.00 23.03 100D 390 ATOM 336 C2* C B 17 -3.399 -6.104 19.736 1.00 18.88 100D 391 ATOM 337 C1* C B 17 -2.472 -6.604 18.629 1.00 18.39 100D 392 ATOM 338 N1 C B 17 -2.194 -5.587 17.570 1.00 12.74 100D 393 ATOM 339 C2 C B 17 -1.248 -4.622 17.829 1.00 13.09 100D 394 ATOM 340 O2 C B 17 -0.698 -4.517 18.933 1.00 12.24 100D 395 ATOM 341 N3 C B 17 -0.984 -3.712 16.852 1.00 14.35 100D 396 ATOM 342 C4 C B 17 -1.639 -3.762 15.686 1.00 13.79 100D 397 ATOM 343 N4 C B 17 -1.297 -2.921 14.711 1.00 16.68 100D 398 ATOM 344 C5 C B 17 -2.631 -4.748 15.430 1.00 11.59 100D 399 ATOM 345 C6 C B 17 -2.858 -5.633 16.400 1.00 8.53 100D 400 ATOM 346 P C B 18 -7.007 -5.260 19.781 1.00 28.77 100D 401 ATOM 347 O1P C B 18 -7.417 -4.926 18.375 1.00 24.48 100D 402 ATOM 348 O2P C B 18 -8.010 -5.697 20.796 1.00 27.91 100D 403 ATOM 349 O5* C B 18 -6.346 -3.878 20.355 1.00 26.69 100D 404 ATOM 350 C5* C B 18 -5.876 -3.663 21.675 1.00 22.45 100D 405 ATOM 351 C4* C B 18 -4.868 -2.527 21.660 1.00 20.14 100D 406 ATOM 352 O4* C B 18 -3.898 -2.791 20.621 1.00 17.95 100D 407 ATOM 353 C3* C B 18 -5.383 -1.139 21.350 1.00 20.46 100D 408 ATOM 354 O3* C B 18 -6.122 -0.495 22.422 1.00 22.52 100D 409 ATOM 355 C2* C B 18 -4.069 -0.456 20.977 1.00 18.70 100D 410 ATOM 356 C1* C B 18 -3.245 -1.549 20.252 1.00 18.68 100D 411 ATOM 357 N1 C B 18 -3.297 -1.380 18.786 1.00 18.17 100D 412 ATOM 358 C2 C B 18 -2.446 -0.458 18.171 1.00 16.98 100D 413 ATOM 359 O2 C B 18 -1.573 0.166 18.774 1.00 20.32 100D 414 ATOM 360 N3 C B 18 -2.583 -0.258 16.848 1.00 16.82 100D 415 ATOM 361 C4 C B 18 -3.505 -0.931 16.149 1.00 15.76 100D 416 ATOM 362 N4 C B 18 -3.636 -0.665 14.860 1.00 13.34 100D 417 ATOM 363 C5 C B 18 -4.372 -1.893 16.748 1.00 12.67 100D 418 ATOM 364 C6 C B 18 -4.237 -2.080 18.066 1.00 14.81 100D 419 ATOM 365 P G B 19 -7.015 0.794 21.992 1.00 18.68 100D 420 ATOM 366 O1P G B 19 -7.881 0.644 20.808 1.00 18.98 100D 421 ATOM 367 O2P G B 19 -7.592 0.740 23.355 1.00 20.58 100D 422 ATOM 368 O5* G B 19 -6.137 2.085 21.765 1.00 14.67 100D 423 ATOM 369 C5* G B 19 -5.282 2.635 22.743 1.00 14.92 100D 424 ATOM 370 C4* G B 19 -4.265 3.471 22.044 1.00 11.67 100D 425 ATOM 371 O4* G B 19 -3.668 2.725 20.993 1.00 13.34 100D 426 ATOM 372 C3* G B 19 -4.831 4.632 21.315 1.00 12.46 100D 427 ATOM 373 O3* G B 19 -5.233 5.692 22.194 1.00 12.97 100D 428 ATOM 374 C2* G B 19 -3.646 4.994 20.460 1.00 10.60 100D 429 ATOM 375 C1* G B 19 -3.149 3.663 20.010 1.00 11.00 100D 430 ATOM 376 N9 G B 19 -3.670 3.314 18.697 1.00 8.91 100D 431 ATOM 377 C8 G B 19 -4.569 2.317 18.417 1.00 7.23 100D 432 ATOM 378 N7 G B 19 -4.814 2.192 17.179 1.00 8.80 100D 433 ATOM 379 C5 G B 19 -4.038 3.182 16.585 1.00 8.99 100D 434 ATOM 380 C6 G B 19 -3.831 3.450 15.217 1.00 9.86 100D 435 ATOM 381 O6 G B 19 -4.361 2.871 14.270 1.00 14.98 100D 436 ATOM 382 N1 G B 19 -2.868 4.446 14.998 1.00 8.65 100D 437 ATOM 383 C2 G B 19 -2.192 5.116 15.998 1.00 8.58 100D 438 ATOM 384 N2 G B 19 -1.417 6.149 15.640 1.00 8.82 100D 439 ATOM 385 N3 G B 19 -2.387 4.836 17.299 1.00 9.44 100D 440 ATOM 386 C4 G B 19 -3.324 3.871 17.515 1.00 8.64 100D 441 ATOM 387 P G B 20 -6.156 6.845 21.578 1.00 16.17 100D 442 ATOM 388 O1P G B 20 -7.348 6.334 20.882 1.00 19.70 100D 443 ATOM 389 O2P G B 20 -6.346 7.569 22.839 1.00 11.59 100D 444 ATOM 390 O5* G B 20 -5.304 7.716 20.550 1.00 15.64 100D 445 ATOM 391 C5* G B 20 -4.166 8.497 20.960 1.00 13.60 100D 446 ATOM 392 C4* G B 20 -3.731 9.295 19.780 1.00 11.64 100D 447 ATOM 393 O4* G B 20 -3.346 8.405 18.762 1.00 12.78 100D 448 ATOM 394 C3* G B 20 -4.937 10.017 19.154 1.00 9.26 100D 449 ATOM 395 O3* G B 20 -5.162 11.232 19.849 1.00 8.82 100D 450 ATOM 396 C2* G B 20 -4.515 10.231 17.738 1.00 10.28 100D 451 ATOM 397 O2* G B 20 -3.496 11.210 17.640 1.00 14.06 100D 452 ATOM 398 C1* G B 20 -3.782 8.924 17.491 1.00 11.06 100D 453 ATOM 399 N9 G B 20 -4.621 7.966 16.781 1.00 8.70 100D 454 ATOM 400 C8 G B 20 -5.409 6.982 17.305 1.00 8.15 100D 455 ATOM 401 N7 G B 20 -5.951 6.226 16.408 1.00 9.88 100D 456 ATOM 402 C5 G B 20 -5.496 6.753 15.190 1.00 10.42 100D 457 ATOM 403 C6 G B 20 -5.780 6.342 13.855 1.00 11.50 100D 458 ATOM 404 O6 G B 20 -6.476 5.399 13.485 1.00 13.46 100D 459 ATOM 405 N1 G B 20 -5.138 7.125 12.924 1.00 8.26 100D 460 ATOM 406 C2 G B 20 -4.310 8.187 13.214 1.00 7.88 100D 461 ATOM 407 N2 G B 20 -3.735 8.801 12.170 1.00 6.62 100D 462 ATOM 408 N3 G B 20 -4.043 8.594 14.477 1.00 8.59 100D 463 ATOM 409 C4 G B 20 -4.676 7.821 15.410 1.00 7.98 100D 464 TER 410 G B 20 100D 465 HETATM 411 N1 SPM 21 10.683 -8.783 22.839 1.00 40.13 100D 466 HETATM 412 C2 SPM 21 11.531 -7.621 23.379 1.00 38.06 100D 467 HETATM 413 C3 SPM 21 10.826 -6.312 23.033 1.00 36.69 100D 468 HETATM 414 C4 SPM 21 11.754 -5.116 22.994 1.00 35.02 100D 469 HETATM 415 N5 SPM 21 10.958 -3.909 22.549 1.00 32.86 100D 470 HETATM 416 C6 SPM 21 12.018 -2.878 22.231 1.00 32.94 100D 471 HETATM 417 C7 SPM 21 11.419 -1.515 22.220 1.00 31.05 100D 472 HETATM 418 C8 SPM 21 12.460 -0.586 21.671 1.00 30.79 100D 473 HETATM 419 C9 SPM 21 12.057 0.847 21.888 1.00 28.48 100D 474 HETATM 420 N10 SPM 21 13.064 1.749 21.221 1.00 28.45 100D 475 HETATM 421 C11 SPM 21 13.493 2.749 22.270 1.00 30.71 100D 476 HETATM 422 C12 SPM 21 14.237 3.946 21.699 1.00 31.37 100D 477 HETATM 423 C13 SPM 21 14.691 4.712 22.920 1.00 32.44 100D 478 HETATM 424 N14 SPM 21 14.460 6.175 22.642 1.00 34.72 100D 479 HETATM 425 O HOH 22 -2.974 -2.437 11.925 1.00 16.09 100D 480 HETATM 426 O HOH 23 4.908 -5.520 0.996 1.00 18.38 100D 481 HETATM 427 O HOH 24 -7.781 4.610 18.814 1.00 18.46 100D 482 HETATM 428 O HOH 25 -0.410 11.047 5.984 1.00 21.92 100D 483 HETATM 429 O HOH 26 -8.768 2.303 25.439 1.00 63.34 100D 484 HETATM 430 O HOH 27 2.982 -6.730 19.716 1.00 59.88 100D 485 HETATM 431 O HOH 28 14.965 -12.628 -1.536 1.00 20.30 100D 486 HETATM 432 O HOH 29 11.946 -14.326 0.320 1.00 19.82 100D 487 HETATM 433 O HOH 30 10.067 -5.986 15.026 1.00 53.92 100D 488 HETATM 434 O HOH 31 12.687 -7.091 6.513 1.00 22.27 100D 489 HETATM 435 O HOH 32 12.609 -9.474 8.227 1.00 37.71 100D 490 HETATM 436 O HOH 33 -2.941 -7.858 2.063 1.00 27.19 100D 491 HETATM 437 O HOH 34 7.529 -3.577 14.088 1.00 21.79 100D 492 HETATM 438 O HOH 35 1.254 -0.882 12.378 1.00 24.27 100D 493 HETATM 439 O HOH 36 3.423 0.963 13.195 1.00 29.99 100D 494 HETATM 440 O HOH 37 7.112 -6.175 -0.485 1.00 27.77 100D 495 HETATM 441 O HOH 38 -0.686 -3.219 10.199 1.00 34.51 100D 496 HETATM 442 O HOH 39 9.580 7.535 14.458 1.00 36.42 100D 497 HETATM 443 O HOH 40 13.715 -4.726 5.032 1.00 69.56 100D 498 HETATM 444 O HOH 41 5.720 -2.345 11.434 1.00 31.09 100D 499 HETATM 445 O HOH 42 3.591 6.788 4.471 1.00 54.80 100D 500 HETATM 446 O HOH 43 13.578 -15.605 7.916 1.00 68.31 100D 501 HETATM 447 O HOH 44 14.574 -10.275 18.466 1.00 49.77 100D 502 HETATM 448 O HOH 45 9.740 9.480 0.051 1.00 32.13 100D 503 HETATM 449 O HOH 46 0.657 2.761 2.939 1.00 32.50 100D 504 HETATM 450 O HOH 47 -4.337 -5.705 11.632 1.00 61.29 100D 505 HETATM 451 O HOH 48 8.511 0.032 6.773 1.00 19.39 100D 506 HETATM 452 O HOH 49 4.696 -1.081 7.336 1.00 33.58 100D 507 HETATM 453 O HOH 50 8.729 8.283 20.312 1.00 32.25 100D 508 HETATM 454 O HOH 51 -6.031 -4.587 15.810 1.00 44.75 100D 509 HETATM 455 O HOH 52 3.985 7.860 0.750 1.00 43.33 100D 510 HETATM 456 O HOH 53 -9.947 -8.411 16.066 1.00 42.79 100D 511 HETATM 457 O HOH 54 14.022 -9.173 2.574 1.00 61.84 100D 512 HETATM 458 O HOH 55 8.927 4.925 21.552 1.00 21.30 100D 513 HETATM 459 O HOH 56 12.080 -9.656 20.565 1.00 39.11 100D 514 HETATM 460 O HOH 57 10.264 3.453 5.213 1.00 32.36 100D 515 HETATM 461 O HOH 58 7.585 8.903 10.458 1.00 55.81 100D 516 HETATM 462 O HOH 59 6.958 8.256 6.843 1.00 25.61 100D 517 HETATM 463 O HOH 60 7.487 1.041 16.040 1.00 46.35 100D 518 HETATM 464 O HOH 61 -0.194 -3.247 7.396 1.00 35.93 100D 519 HETATM 465 O HOH 62 8.225 6.727 12.206 1.00 60.91 100D 520 HETATM 466 O HOH 63 -7.060 4.463 4.604 1.00 46.27 100D 521 HETATM 467 O HOH 64 7.946 3.533 12.709 1.00 28.03 100D 522 HETATM 468 O HOH 65 6.779 -1.926 8.904 1.00 41.06 100D 523 HETATM 469 O HOH 66 -4.616 1.948 8.938 1.00 36.90 100D 524 HETATM 470 O HOH 67 2.587 3.984 4.922 1.00 71.03 100D 525 HETATM 471 O HOH 68 -2.870 3.373 6.568 1.00 35.34 100D 526 HETATM 472 O HOH 69 -2.641 -4.676 8.852 1.00 65.95 100D 527 HETATM 473 O HOH 70 7.896 2.158 5.060 1.00 37.59 100D 528 HETATM 474 O HOH 71 22.021 4.027 -3.798 1.00 67.65 100D 529 HETATM 475 O HOH 72 -8.176 -1.645 24.639 1.00 49.61 100D 530 HETATM 476 O HOH 73 17.116 0.579 15.466 1.00 47.99 100D 531 HETATM 477 O HOH 74 -2.555 0.759 5.884 1.00 40.81 100D 532 HETATM 478 O HOH 75 5.250 1.995 7.543 1.00 70.98 100D 533 HETATM 479 O HOH 76 -10.113 -6.723 18.202 1.00 59.20 100D 534 HETATM 480 O HOH 77 1.829 -2.266 9.724 1.00 75.20 100D 535 HETATM 481 O HOH 78 -8.873 -3.504 22.680 1.00 79.41 100D 536 HETATM 482 O HOH 79 -9.310 -1.446 19.391 1.00 71.79 100D 537 HETATM 483 O HOH 80 -6.613 0.677 10.598 1.00 80.35 100D 538 HETATM 484 O HOH 81 -7.134 2.452 7.202 1.00 72.90 100D 539 HETATM 485 O HOH 82 13.359 4.222 15.085 1.00 55.82 100D 540 HETATM 486 O HOH 83 -1.981 3.230 3.724 1.00 91.06 100D 541 HETATM 487 O HOH 84 15.966 3.620 16.068 1.00 97.71 100D 542 HETATM 488 O HOH 85 13.277 -1.574 6.340 1.00 80.86 100D 543 HETATM 489 O HOH 86 4.216 1.820 10.481 1.00 76.69 100D 544 HETATM 490 O HOH 87 13.318 8.996 -1.358 1.00 49.18 100D 545 HETATM 491 O HOH 88 -2.029 -10.316 17.858 1.00 83.02 100D 546 CONECT 411 412 100D 547 CONECT 412 411 413 100D 548 CONECT 413 412 414 100D 549 CONECT 414 413 415 100D 550 CONECT 415 414 416 100D 551 CONECT 416 415 417 100D 552 CONECT 417 416 418 100D 553 CONECT 418 417 419 100D 554 CONECT 419 418 420 100D 555 CONECT 420 419 421 100D 556 CONECT 421 420 422 100D 557 CONECT 422 421 423 100D 558 CONECT 423 422 424 100D 559 CONECT 424 423 100D 560 MASTER 29 0 1 0 0 0 0 6 489 2 14 2 100D 561 END 100D 562 HEADER DEOXYRIBONUCLEIC ACID 14-DEC-94 101D 101D 2 COMPND DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(BR)CP*GP*CP*G)-3') 101D 3 COMPND 2 COMPLEXED WITH NETROPSIN, RE-REFINEMENT 101D 4 SOURCE SYNTHETIC 101D 5 AUTHOR D.S.GOODSELL,M.L.KOPKA,R.E.DICKERSON 101D 6 REVDAT 1 27-FEB-95 101D 0 101D 7 JRNL AUTH D.S.GOODSELL,M.L.KOPKA,R.E.DICKERSON 101D 8 JRNL TITL REFINEMENT OF NETROPSIN BOUND TO DNA: BIAS AND 101D 9 JRNL TITL 2 FEEDBACK IN ELECTRON DENSITY MAP INTERPRETATION 101D 10 JRNL REF TO BE PUBLISHED 101D 11 JRNL REFN 0353 101D 12 REMARK 1 101D 13 REMARK 1 REFERENCE 1 101D 14 REMARK 1 AUTH M.L.KOPKA,C.YOON,D.S.GOODSELL,P.PJURA, 101D 15 REMARK 1 AUTH 2 R.E.DICKERSON,M.L.KOPKA,C.YOON,D.S.GOODSELL, 101D 16 REMARK 1 AUTH 3 P.PJURA,R.E.DICKERSON 101D 17 REMARK 1 TITL BINDING OF AN ANTITUMOR DRUG TO DNA. NETROPSIN AND 101D 18 REMARK 1 TITL 2 C-G-C-G-A-A-T-T-BRC-G-C-G 101D 19 REMARK 1 REF J.MOL.BIOL. V. 183 553 1985 101D 20 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 0070 101D 21 REMARK 2 101D 22 REMARK 2 RESOLUTION. 2.25 ANGSTROMS. 101D 23 REMARK 3 101D 24 REMARK 3 REFINEMENT. 101D 25 REMARK 3 PROGRAM NUCLSQ 101D 26 REMARK 3 AUTHORS WESTHOF,DUMAS,MORAS 101D 27 REMARK 3 R VALUE 0.163 101D 28 REMARK 3 FREE R VALUE 0.252 101D 29 REMARK 3 101D 30 REMARK 3 NUMBER OF REFLECTIONS 2430 101D 31 REMARK 3 RESOLUTION RANGE 8.0 - 2.25 ANGSTROMS 101D 32 REMARK 3 DATA CUTOFF 2.0 SIGMA(F) 101D 33 REMARK 3 101D 34 REMARK 3 NUMBER OF PROTEIN ATOMS 0 101D 35 REMARK 3 NUMBER OF NUCLEIC ACID ATOMS 488 101D 36 REMARK 3 NUMBER OF SOLVENT ATOMS 33 101D 37 REMARK 3 101D 38 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES (THE VALUES OF 101D 39 REMARK 3 SIGMA, IN PARENTHESES, ARE THE INPUT ESTIMATED 101D 40 REMARK 3 STANDARD DEVIATIONS THAT DETERMINE THE RELATIVE 101D 41 REMARK 3 WEIGHTS OF THE CORRESPONDING RESTRAINTS) 101D 42 REMARK 3 DISTANCE RESTRAINTS (ANGSTROMS) 101D 43 REMARK 3 SUGAR-BASE BOND DISTANCE 0.024(0.030) 101D 44 REMARK 3 SUGAR-BASE BOND ANGLE DISTANCE 0.040(0.040) 101D 45 REMARK 3 PHOSPHATE BOND DISTANCE 0.026(0.040) 101D 46 REMARK 3 PHOSPHATE BOND ANGLE DISTANCE, H-BOND 0.057(0.050) 101D 47 REMARK 3 PLANE RESTRAINT (ANGSTROMS) 0.014(0.020) 101D 48 REMARK 3 CHIRAL-CENTER RESTRAINT (ANGSTROMS**3) 0.161(0.150) 101D 49 REMARK 3 NON-BONDED CONTACT RESTRAINTS (ANGSTROMS) 101D 50 REMARK 3 SINGLE TORSION CONTACT 0.093(0.100) 101D 51 REMARK 3 MULTIPLE TORSION CONTACT 0.097(0.100) 101D 52 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS (ANGSTROMS**2) 101D 53 REMARK 3 SUGAR-BASE BOND 4.282(6.000) 101D 54 REMARK 3 SUGAR-BASE ANGLE 4.990(6.000) 101D 55 REMARK 3 PHOSPHATE BOND 5.693(6.000) 101D 56 REMARK 3 PHOSPHATE BOND ANGLE, H-BOND 5.227(6.000) 101D 57 REMARK 101 101D 58 REMARK 101 RESIDUE +C A 9 HAS BR BONDED TO C5. 101D 59 REMARK 101 RESIDUE +C B 21 HAS BR BONDED TO C5. 101D 60 REMARK 105 101D 61 REMARK 105 THE PROTEIN DATA BANK HAS ADOPTED THE SACCHARIDE CHEMISTS 101D 62 REMARK 105 NOMENCLATURE FOR ATOMS OF THE DEOXYRIBOSE/RIBOSE MOIETY 101D 63 REMARK 105 RATHER THAN THAT OF THE NUCLEOSIDE CHEMISTS. THE RING 101D 64 REMARK 105 OXYGEN ATOM IS LABELLED O4* INSTEAD OF O1*. 101D 65 REMARK 106 101D 66 REMARK 106 THE HYDROGEN BONDS BETWEEN BASE PAIRS IN THIS ENTRY FOLLOW 101D 67 REMARK 106 THE CONVENTIONAL WATSON-CRICK HYDROGEN BONDING PATTERN. 101D 68 REMARK 106 THEY HAVE NOT BEEN PRESENTED ON *CONECT* RECORDS IN THIS 101D 69 REMARK 106 ENTRY. 101D 70 SEQRES 1 A 12 C G C G A A T T +C G C G 101D 71 SEQRES 1 B 12 C G C G A A T T +C G C G 101D 72 HET BR A 9 1 BROMINE 101D 73 HET BR B 21 1 BROMINE 101D 74 HET NT 25 31 NETROPSIN 101D 75 HET MO3 26 4 MAGNESIUM ION, 3 WATERS COORDINATED 101D 76 FORMUL 3 BR 2(BR1) 101D 77 FORMUL 4 NT C18 H26 N10 O3 101D 78 FORMUL 5 MO3 H6 O3 MG1 2+ 101D 79 FORMUL 6 HOH *33(H2 O1) 101D 80 CRYST1 24.270 39.620 63.570 90.00 90.00 90.00 P 21 21 21 4 101D 81 ORIGX1 1.000000 0.000000 0.000000 0.00000 101D 82 ORIGX2 0.000000 1.000000 0.000000 0.00000 101D 83 ORIGX3 0.000000 0.000000 1.000000 0.00000 101D 84 SCALE1 0.041203 0.000000 0.000000 0.00000 101D 85 SCALE2 0.000000 0.025240 0.000000 0.00000 101D 86 SCALE3 0.000000 0.000000 0.015731 0.00000 101D 87 ATOM 1 O5* C A 1 18.598 34.469 24.672 1.00 23.24 101D 88 ATOM 2 C5* C A 1 19.853 34.632 23.883 1.00 8.00 101D 89 ATOM 3 C4* C A 1 20.375 33.233 23.597 1.00 8.78 101D 90 ATOM 4 O4* C A 1 19.588 32.144 23.890 1.00 4.39 101D 91 ATOM 5 C3* C A 1 20.724 33.087 22.103 1.00 7.95 101D 92 ATOM 6 O3* C A 1 22.134 32.896 22.052 1.00 9.69 101D 93 ATOM 7 C2* C A 1 19.831 31.942 21.627 1.00 6.58 101D 94 ATOM 8 C1* C A 1 19.540 31.137 22.796 1.00 1.06 101D 95 ATOM 9 N1 C A 1 18.224 30.436 22.936 1.00 0.29 101D 96 ATOM 10 C2 C A 1 18.312 29.192 23.521 1.00 0.00 101D 97 ATOM 11 O2 C A 1 19.377 28.685 23.820 1.00 3.13 101D 98 ATOM 12 N3 C A 1 17.176 28.507 23.712 1.00 0.88 101D 99 ATOM 13 C4 C A 1 15.928 28.994 23.419 1.00 0.48 101D 100 ATOM 14 N4 C A 1 14.909 28.182 23.705 1.00 0.00 101D 101 ATOM 15 C5 C A 1 15.868 30.262 22.879 1.00 0.82 101D 102 ATOM 16 C6 C A 1 17.011 30.931 22.644 1.00 0.00 101D 103 ATOM 17 P G A 2 22.882 32.793 20.648 1.00 16.46 101D 104 ATOM 18 O1P G A 2 22.030 33.499 19.624 1.00 15.08 101D 105 ATOM 19 O2P G A 2 24.263 33.416 20.654 1.00 19.66 101D 106 ATOM 20 O5* G A 2 22.828 31.228 20.393 1.00 11.47 101D 107 ATOM 21 C5* G A 2 23.183 30.250 21.391 1.00 12.48 101D 108 ATOM 22 C4* G A 2 23.275 28.946 20.609 1.00 9.02 101D 109 ATOM 23 O4* G A 2 22.061 28.249 20.845 1.00 8.75 101D 110 ATOM 24 C3* G A 2 23.445 28.994 19.090 1.00 6.66 101D 111 ATOM 25 O3* G A 2 24.357 27.995 18.651 1.00 12.59 101D 112 ATOM 26 C2* G A 2 22.047 28.780 18.562 1.00 4.95 101D 113 ATOM 27 C1* G A 2 21.484 27.881 19.630 1.00 1.69 101D 114 ATOM 28 N9 G A 2 20.028 27.995 19.745 1.00 0.00 101D 115 ATOM 29 C8 G A 2 19.202 29.057 19.465 1.00 0.00 101D 116 ATOM 30 N7 G A 2 17.972 28.812 19.643 1.00 0.00 101D 117 ATOM 31 C5 G A 2 17.933 27.484 20.094 1.00 0.00 101D 118 ATOM 32 C6 G A 2 16.841 26.656 20.495 1.00 0.00 101D 119 ATOM 33 O6 G A 2 15.678 26.926 20.476 1.00 0.00 101D 120 ATOM 34 N1 G A 2 17.234 25.412 20.895 1.00 0.00 101D 121 ATOM 35 C2 G A 2 18.574 25.000 20.857 1.00 0.90 101D 122 ATOM 36 N2 G A 2 18.763 23.709 21.226 1.00 0.00 101D 123 ATOM 37 N3 G A 2 19.613 25.749 20.533 1.00 0.00 101D 124 ATOM 38 C4 G A 2 19.215 26.965 20.152 1.00 0.00 101D 125 ATOM 39 P C A 3 25.149 27.599 17.342 1.00 13.81 101D 126 ATOM 40 O1P C A 3 24.552 28.451 16.261 1.00 1.67 101D 127 ATOM 41 O2P C A 3 26.588 27.904 17.704 1.00 10.74 101D 128 ATOM 42 O5* C A 3 24.787 26.062 16.967 1.00 0.28 101D 129 ATOM 43 C5* C A 3 24.867 24.929 17.736 1.00 8.45 101D 130 ATOM 44 C4* C A 3 23.617 24.125 17.711 1.00 2.36 101D 131 ATOM 45 O4* C A 3 22.438 24.794 18.086 1.00 5.43 101D 132 ATOM 46 C3* C A 3 23.294 23.602 16.299 1.00 11.82 101D 133 ATOM 47 O3* C A 3 24.069 22.393 16.026 1.00 9.10 101D 134 ATOM 48 C2* C A 3 21.799 23.304 16.382 1.00 3.92 101D 135 ATOM 49 C1* C A 3 21.326 23.942 17.596 1.00 0.00 101D 136 ATOM 50 N1 C A 3 20.207 24.794 17.215 1.00 0.00 101D 137 ATOM 51 C2 C A 3 18.931 24.434 17.558 1.00 0.68 101D 138 ATOM 52 O2 C A 3 18.717 23.419 18.187 1.00 4.99 101D 139 ATOM 53 N3 C A 3 17.899 25.285 17.240 1.00 0.00 101D 140 ATOM 54 C4 C A 3 18.115 26.446 16.611 1.00 3.09 101D 141 ATOM 55 N4 C A 3 17.108 27.290 16.312 1.00 0.11 101D 142 ATOM 56 C5 C A 3 19.462 26.811 16.242 1.00 3.95 101D 143 ATOM 57 C6 C A 3 20.445 25.983 16.554 1.00 3.17 101D 144 ATOM 58 P G A 4 23.981 21.716 14.596 1.00 6.01 101D 145 ATOM 59 O1P G A 4 23.253 22.659 13.674 1.00 9.28 101D 146 ATOM 60 O2P G A 4 25.377 21.426 14.195 1.00 20.32 101D 147 ATOM 61 O5* G A 4 22.991 20.464 14.818 1.00 12.36 101D 148 ATOM 62 C5* G A 4 23.013 19.497 15.854 1.00 0.00 101D 149 ATOM 63 C4* G A 4 21.695 18.816 15.981 1.00 6.13 101D 150 ATOM 64 O4* G A 4 20.513 19.525 16.179 1.00 0.00 101D 151 ATOM 65 C3* G A 4 21.353 17.932 14.704 1.00 3.17 101D 152 ATOM 66 O3* G A 4 20.646 16.842 15.193 1.00 0.00 101D 153 ATOM 67 C2* G A 4 20.540 18.891 13.877 1.00 2.97 101D 154 ATOM 68 C1* G A 4 19.741 19.560 15.009 1.00 0.00 101D 155 ATOM 69 N9 G A 4 19.421 20.896 14.519 1.00 0.00 101D 156 ATOM 70 C8 G A 4 20.103 21.815 13.782 1.00 0.00 101D 157 ATOM 71 N7 G A 4 19.452 22.912 13.585 1.00 0.00 101D 158 ATOM 72 C5 G A 4 18.222 22.706 14.163 1.00 0.00 101D 159 ATOM 73 C6 G A 4 17.059 23.518 14.278 1.00 0.95 101D 160 ATOM 74 O6 G A 4 16.938 24.695 13.795 1.00 5.42 101D 161 ATOM 75 N1 G A 4 16.018 22.960 14.983 1.00 0.00 101D 162 ATOM 76 C2 G A 4 16.149 21.724 15.543 1.00 0.00 101D 163 ATOM 77 N2 G A 4 15.084 21.244 16.204 1.00 0.46 101D 164 ATOM 78 N3 G A 4 17.181 20.892 15.479 1.00 0.00 101D 165 ATOM 79 C4 G A 4 18.181 21.466 14.755 1.00 2.17 101D 166 ATOM 80 P A A 5 20.047 15.713 14.291 1.00 7.55 101D 167 ATOM 81 O1P A A 5 20.785 15.872 13.045 1.00 10.20 101D 168 ATOM 82 O2P A A 5 20.156 14.338 14.856 1.00 14.37 101D 169 ATOM 83 O5* A A 5 18.501 16.280 14.284 1.00 10.75 101D 170 ATOM 84 C5* A A 5 17.887 16.387 15.594 1.00 9.60 101D 171 ATOM 85 C4* A A 5 16.397 16.256 15.556 1.00 6.17 101D 172 ATOM 86 O4* A A 5 15.819 17.508 15.136 1.00 5.26 101D 173 ATOM 87 C3* A A 5 15.836 15.214 14.621 1.00 6.94 101D 174 ATOM 88 O3* A A 5 14.598 14.663 15.022 1.00 7.93 101D 175 ATOM 89 C2* A A 5 15.831 16.010 13.273 1.00 6.24 101D 176 ATOM 90 C1* A A 5 15.377 17.369 13.725 1.00 0.41 101D 177 ATOM 91 N9 A A 5 16.001 18.471 12.962 1.00 0.00 101D 178 ATOM 92 C8 A A 5 17.244 18.522 12.371 1.00 0.00 101D 179 ATOM 93 N7 A A 5 17.516 19.640 11.830 1.00 0.00 101D 180 ATOM 94 C5 A A 5 16.431 20.436 12.091 1.00 0.10 101D 181 ATOM 95 C6 A A 5 16.089 21.775 11.748 1.00 0.00 101D 182 ATOM 96 N6 A A 5 16.853 22.572 11.048 1.00 1.87 101D 183 ATOM 97 N1 A A 5 14.873 22.187 12.186 1.00 0.00 101D 184 ATOM 98 C2 A A 5 14.050 21.395 12.854 1.00 0.00 101D 185 ATOM 99 N3 A A 5 14.288 20.155 13.210 1.00 0.00 101D 186 ATOM 100 C4 A A 5 15.475 19.711 12.784 1.00 0.00 101D 187 ATOM 101 P A A 6 13.535 13.819 14.132 1.00 4.64 101D 188 ATOM 102 O1P A A 6 14.203 12.766 13.413 1.00 7.71 101D 189 ATOM 103 O2P A A 6 12.528 13.384 15.130 1.00 10.89 101D 190 ATOM 104 O5* A A 6 12.810 14.964 13.242 1.00 13.07 101D 191 ATOM 105 C5* A A 6 11.951 15.816 14.062 1.00 2.46 101D 192 ATOM 106 C4* A A 6 10.849 16.450 13.235 1.00 0.77 101D 193 ATOM 107 O4* A A 6 11.407 17.484 12.498 1.00 0.40 101D 194 ATOM 108 C3* A A 6 10.121 15.602 12.212 1.00 3.83 101D 195 ATOM 109 O3* A A 6 8.769 15.967 12.161 1.00 8.17 101D 196 ATOM 110 C2* A A 6 10.868 15.943 10.902 1.00 3.45 101D 197 ATOM 111 C1* A A 6 11.232 17.310 11.099 1.00 0.00 101D 198 ATOM 112 N9 A A 6 12.531 17.746 10.559 1.00 3.73 101D 199 ATOM 113 C8 A A 6 13.766 17.203 10.419 1.00 0.00 101D 200 ATOM 114 N7 A A 6 14.635 17.987 9.866 1.00 0.00 101D 201 ATOM 115 C5 A A 6 13.950 19.164 9.637 1.00 1.08 101D 202 ATOM 116 C6 A A 6 14.322 20.412 9.046 1.00 0.00 101D 203 ATOM 117 N6 A A 6 15.533 20.733 8.588 1.00 0.00 101D 204 ATOM 118 N1 A A 6 13.327 21.316 8.970 1.00 0.00 101D 205 ATOM 119 C2 A A 6 12.057 21.062 9.440 1.00 2.98 101D 206 ATOM 120 N3 A A 6 11.637 19.957 10.006 1.00 0.00 101D 207 ATOM 121 C4 A A 6 12.647 19.057 10.076 1.00 0.08 101D 208 ATOM 122 P T A 7 7.606 15.436 11.214 1.00 1.53 101D 209 ATOM 123 O1P T A 7 8.145 14.319 10.451 1.00 3.15 101D 210 ATOM 124 O2P T A 7 6.439 14.854 12.072 1.00 8.02 101D 211 ATOM 125 O5* T A 7 7.077 16.688 10.457 1.00 5.18 101D 212 ATOM 126 C5* T A 7 7.203 18.094 10.781 1.00 2.59 101D 213 ATOM 127 C4* T A 7 7.373 18.716 9.402 1.00 0.14 101D 214 ATOM 128 O4* T A 7 8.715 18.724 9.071 1.00 0.00 101D 215 ATOM 129 C3* T A 7 6.628 18.114 8.201 1.00 0.00 101D 216 ATOM 130 O3* T A 7 5.810 19.160 7.660 1.00 11.81 101D 217 ATOM 131 C2* T A 7 7.725 17.865 7.183 1.00 1.18 101D 218 ATOM 132 C1* T A 7 8.730 18.919 7.597 1.00 2.49 101D 219 ATOM 133 N1 T A 7 10.104 18.653 7.209 1.00 1.91 101D 220 ATOM 134 C2 T A 7 10.822 19.782 6.732 1.00 8.72 101D 221 ATOM 135 O2 T A 7 10.300 20.900 6.560 1.00 0.61 101D 222 ATOM 136 N3 T A 7 12.152 19.568 6.363 1.00 2.81 101D 223 ATOM 137 C4 T A 7 12.727 18.344 6.522 1.00 0.00 101D 224 ATOM 138 O4 T A 7 13.950 18.225 6.198 1.00 4.45 101D 225 ATOM 139 C5 T A 7 11.992 17.262 7.063 1.00 0.00 101D 226 ATOM 140 C5M T A 7 12.681 15.943 7.228 1.00 0.00 101D 227 ATOM 141 C6 T A 7 10.701 17.453 7.380 1.00 0.00 101D 228 ATOM 142 P T A 8 4.512 19.196 6.732 1.00 4.24 101D 229 ATOM 143 O1P T A 8 4.691 17.912 6.046 1.00 10.54 101D 230 ATOM 144 O2P T A 8 3.405 19.529 7.641 1.00 8.40 101D 231 ATOM 145 O5* T A 8 4.701 20.353 5.658 1.00 4.41 101D 232 ATOM 146 C5* T A 8 5.412 21.537 5.848 1.00 0.00 101D 233 ATOM 147 C4* T A 8 6.165 21.799 4.596 1.00 5.60 101D 234 ATOM 148 O4* T A 8 7.446 21.224 4.660 1.00 0.00 101D 235 ATOM 149 C3* T A 8 5.517 21.276 3.274 1.00 0.00 101D 236 ATOM 150 O3* T A 8 4.653 22.235 2.784 1.00 12.82 101D 237 ATOM 151 C2* T A 8 6.723 21.014 2.435 1.00 0.13 101D 238 ATOM 152 C1* T A 8 7.927 21.205 3.248 1.00 0.00 101D 239 ATOM 153 N1 T A 8 8.919 20.127 3.159 1.00 0.41 101D 240 ATOM 154 C2 T A 8 10.174 20.468 2.721 1.00 3.05 101D 241 ATOM 155 O2 T A 8 10.463 21.613 2.352 1.00 7.82 101D 242 ATOM 156 N3 T A 8 11.138 19.493 2.670 1.00 0.00 101D 243 ATOM 157 C4 T A 8 10.912 18.229 3.070 1.00 0.00 101D 244 ATOM 158 O4 T A 8 11.878 17.429 2.950 1.00 2.32 101D 245 ATOM 159 C5 T A 8 9.618 17.881 3.541 1.00 1.61 101D 246 ATOM 160 C5M T A 8 9.303 16.454 3.948 1.00 0.00 101D 247 ATOM 161 C6 T A 8 8.662 18.843 3.560 1.00 1.93 101D 248 ATOM 162 P +C A 9 4.005 22.841 1.424 1.00 10.95 101D 249 ATOM 163 O1P +C A 9 3.434 21.541 0.947 1.00 24.39 101D 250 ATOM 164 O2P +C A 9 3.257 24.081 1.799 1.00 13.20 101D 251 ATOM 165 O5* +C A 9 5.165 23.174 0.394 1.00 23.52 101D 252 ATOM 166 C5* +C A 9 6.315 23.962 0.648 1.00 18.30 101D 253 ATOM 167 C4* +C A 9 7.286 23.732 -0.496 1.00 20.77 101D 254 ATOM 168 O4* +C A 9 8.186 22.675 -0.286 1.00 15.26 101D 255 ATOM 169 C3* +C A 9 6.640 23.530 -1.875 1.00 18.44 101D 256 ATOM 170 O3* +C A 9 6.589 24.850 -2.479 1.00 21.65 101D 257 ATOM 171 C2* +C A 9 7.497 22.480 -2.524 1.00 18.67 101D 258 ATOM 172 C1* +C A 9 8.694 22.270 -1.615 1.00 15.93 101D 259 ATOM 173 N1 +C A 9 9.084 20.880 -1.297 1.00 13.10 101D 260 ATOM 174 C2 +C A 9 10.397 20.535 -1.221 1.00 4.96 101D 261 ATOM 175 O2 +C A 9 11.256 21.339 -1.475 1.00 2.55 101D 262 ATOM 176 N3 +C A 9 10.667 19.239 -0.839 1.00 11.08 101D 263 ATOM 177 C4 +C A 9 9.686 18.348 -0.547 1.00 11.08 101D 264 ATOM 178 N4 +C A 9 10.038 17.100 -0.197 1.00 6.34 101D 265 ATOM 179 C5 +C A 9 8.312 18.744 -0.636 1.00 7.97 101D 266 ATOM 180 C6 +C A 9 8.084 19.984 -0.992 1.00 7.56 101D 267 ATOM 181 P G A 10 6.587 25.400 -3.929 1.00 22.62 101D 268 ATOM 182 O1P G A 10 5.633 24.434 -4.666 1.00 22.30 101D 269 ATOM 183 O2P G A 10 6.084 26.803 -4.100 1.00 30.26 101D 270 ATOM 184 O5* G A 10 7.982 25.182 -4.641 1.00 28.83 101D 271 ATOM 185 C5* G A 10 9.322 25.642 -4.545 1.00 28.10 101D 272 ATOM 186 C4* G A 10 10.121 24.881 -5.626 1.00 25.89 101D 273 ATOM 187 O4* G A 10 10.412 23.554 -5.187 1.00 18.36 101D 274 ATOM 188 C3* G A 10 9.366 24.766 -6.948 1.00 21.47 101D 275 ATOM 189 O3* G A 10 10.150 24.798 -8.124 1.00 30.03 101D 276 ATOM 190 C2* G A 10 8.662 23.435 -6.700 1.00 15.21 101D 277 ATOM 191 C1* G A 10 9.846 22.643 -6.147 1.00 8.62 101D 278 ATOM 192 N9 G A 10 9.490 21.371 -5.518 1.00 9.05 101D 279 ATOM 193 C8 G A 10 8.257 20.868 -5.168 1.00 3.14 101D 280 ATOM 194 N7 G A 10 8.300 19.715 -4.602 1.00 1.53 101D 281 ATOM 195 C5 G A 10 9.633 19.382 -4.533 1.00 5.72 101D 282 ATOM 196 C6 G A 10 10.307 18.241 -4.024 1.00 6.26 101D 283 ATOM 197 O6 G A 10 9.764 17.251 -3.503 1.00 5.15 101D 284 ATOM 198 N1 G A 10 11.701 18.261 -4.151 1.00 1.86 101D 285 ATOM 199 C2 G A 10 12.319 19.315 -4.730 1.00 2.15 101D 286 ATOM 200 N2 G A 10 13.669 19.156 -4.755 1.00 2.64 101D 287 ATOM 201 N3 G A 10 11.761 20.432 -5.213 1.00 0.00 101D 288 ATOM 202 C4 G A 10 10.422 20.388 -5.105 1.00 9.17 101D 289 ATOM 203 P C A 11 10.732 26.026 -8.995 1.00 31.17 101D 290 ATOM 204 O1P C A 11 9.791 26.260 -10.139 1.00 34.32 101D 291 ATOM 205 O2P C A 11 10.771 27.235 -8.124 1.00 31.75 101D 292 ATOM 206 O5* C A 11 12.118 25.488 -9.580 1.00 26.25 101D 293 ATOM 207 C5* C A 11 13.368 25.773 -8.925 1.00 22.53 101D 294 ATOM 208 C4* C A 11 14.222 24.501 -8.944 1.00 17.06 101D 295 ATOM 209 O4* C A 11 13.463 23.491 -8.277 1.00 23.27 101D 296 ATOM 210 C3* C A 11 14.547 23.915 -10.273 1.00 13.76 101D 297 ATOM 211 O3* C A 11 15.703 24.493 -10.947 1.00 16.30 101D 298 ATOM 212 C2* C A 11 14.674 22.421 -9.968 1.00 13.52 101D 299 ATOM 213 C1* C A 11 13.953 22.148 -8.741 1.00 10.10 101D 300 ATOM 214 N1 C A 11 12.744 21.323 -8.709 1.00 10.77 101D 301 ATOM 215 C2 C A 11 12.815 20.079 -8.092 1.00 8.27 101D 302 ATOM 216 O2 C A 11 13.851 19.644 -7.641 1.00 7.43 101D 303 ATOM 217 N3 C A 11 11.667 19.319 -8.010 1.00 9.83 101D 304 ATOM 218 C4 C A 11 10.489 19.755 -8.518 1.00 4.31 101D 305 ATOM 219 N4 C A 11 9.434 18.982 -8.423 1.00 2.49 101D 306 ATOM 220 C5 C A 11 10.419 21.038 -9.148 1.00 10.25 101D 307 ATOM 221 C6 C A 11 11.545 21.779 -9.205 1.00 8.83 101D 308 ATOM 222 P G A 12 15.773 24.105 -12.542 1.00 14.43 101D 309 ATOM 223 O1P G A 12 14.375 23.843 -12.981 1.00 26.65 101D 310 ATOM 224 O2P G A 12 16.300 25.139 -13.426 1.00 17.80 101D 311 ATOM 225 O5* G A 12 16.642 22.774 -12.383 1.00 17.22 101D 312 ATOM 226 C5* G A 12 17.875 22.639 -11.633 1.00 0.00 101D 313 ATOM 227 C4* G A 12 18.115 21.121 -11.722 1.00 8.26 101D 314 ATOM 228 O4* G A 12 17.156 20.448 -10.928 1.00 0.00 101D 315 ATOM 229 C3* G A 12 18.037 20.480 -13.102 1.00 4.14 101D 316 ATOM 230 O3* G A 12 19.309 20.464 -13.826 1.00 10.39 101D 317 ATOM 231 C2* G A 12 17.564 19.073 -12.835 1.00 0.00 101D 318 ATOM 232 C1* G A 12 16.819 19.232 -11.544 1.00 1.66 101D 319 ATOM 233 N9 G A 12 15.339 19.319 -11.760 1.00 0.88 101D 320 ATOM 234 C8 G A 12 14.608 20.329 -12.263 1.00 0.00 101D 321 ATOM 235 N7 G A 12 13.361 20.071 -12.333 1.00 0.00 101D 322 ATOM 236 C5 G A 12 13.239 18.796 -11.811 1.00 0.91 101D 323 ATOM 237 C6 G A 12 12.099 17.944 -11.589 1.00 0.56 101D 324 ATOM 238 O6 G A 12 10.917 18.134 -11.767 1.00 0.00 101D 325 ATOM 239 N1 G A 12 12.463 16.712 -11.061 1.00 6.23 101D 326 ATOM 240 C2 G A 12 13.730 16.347 -10.781 1.00 0.00 101D 327 ATOM 241 N2 G A 12 13.812 15.123 -10.267 1.00 1.41 101D 328 ATOM 242 N3 G A 12 14.746 17.116 -10.953 1.00 0.00 101D 329 ATOM 243 C4 G A 12 14.472 18.308 -11.455 1.00 0.00 101D 330 TER 244 G A 12 101D 331 HETATM 245 BR BR A 9 7.026 17.789 0.210 1.00 30.76 101D 332 ATOM 246 O5* C B 13 7.303 9.537 -10.082 1.00 17.18 101D 333 ATOM 247 C5* C B 13 8.436 8.554 -10.076 1.00 15.40 101D 334 ATOM 248 C4* C B 13 9.497 9.212 -9.256 1.00 4.79 101D 335 ATOM 249 O4* C B 13 9.948 10.396 -9.847 1.00 7.15 101D 336 ATOM 250 C3* C B 13 9.016 9.644 -7.889 1.00 8.60 101D 337 ATOM 251 O3* C B 13 10.082 9.513 -7.005 1.00 14.12 101D 338 ATOM 252 C2* C B 13 8.650 11.133 -8.086 1.00 9.40 101D 339 ATOM 253 C1* C B 13 9.776 11.553 -8.944 1.00 8.02 101D 340 ATOM 254 N1 C B 13 9.560 12.766 -9.777 1.00 6.70 101D 341 ATOM 255 C2 C B 13 10.703 13.502 -10.044 1.00 4.35 101D 342 ATOM 256 O2 C B 13 11.827 13.174 -9.624 1.00 8.91 101D 343 ATOM 257 N3 C B 13 10.574 14.608 -10.820 1.00 2.87 101D 344 ATOM 258 C4 C B 13 9.385 15.000 -11.315 1.00 4.04 101D 345 ATOM 259 N4 C B 13 9.368 16.090 -12.078 1.00 4.34 101D 346 ATOM 260 C5 C B 13 8.220 14.232 -11.029 1.00 4.59 101D 347 ATOM 261 C6 C B 13 8.346 13.146 -10.298 1.00 0.00 101D 348 ATOM 262 P G B 14 10.305 8.332 -5.937 1.00 9.45 101D 349 ATOM 263 O1P G B 14 9.443 8.895 -4.844 1.00 17.17 101D 350 ATOM 264 O2P G B 14 10.089 7.044 -6.599 1.00 17.88 101D 351 ATOM 265 O5* G B 14 11.834 8.657 -5.613 1.00 14.72 101D 352 ATOM 266 C5* G B 14 12.875 8.344 -6.535 1.00 12.72 101D 353 ATOM 267 C4* G B 14 13.810 9.592 -6.452 1.00 13.29 101D 354 ATOM 268 O4* G B 14 13.188 10.686 -7.044 1.00 3.54 101D 355 ATOM 269 C3* G B 14 14.200 9.921 -5.003 1.00 8.67 101D 356 ATOM 270 O3* G B 14 15.562 9.921 -4.736 1.00 13.04 101D 357 ATOM 271 C2* G B 14 13.630 11.308 -4.806 1.00 14.95 101D 358 ATOM 272 C1* G B 14 13.603 11.838 -6.198 1.00 9.89 101D 359 ATOM 273 N9 G B 14 12.567 12.873 -6.262 1.00 8.80 101D 360 ATOM 274 C8 G B 14 11.237 12.674 -6.026 1.00 2.04 101D 361 ATOM 275 N7 G B 14 10.531 13.748 -6.166 1.00 7.23 101D 362 ATOM 276 C5 G B 14 11.475 14.743 -6.522 1.00 6.31 101D 363 ATOM 277 C6 G B 14 11.329 16.129 -6.859 1.00 5.17 101D 364 ATOM 278 O6 G B 14 10.261 16.751 -6.872 1.00 6.10 101D 365 ATOM 279 N1 G B 14 12.489 16.751 -7.190 1.00 0.00 101D 366 ATOM 280 C2 G B 14 13.683 16.106 -7.183 1.00 0.00 101D 367 ATOM 281 N2 G B 14 14.780 16.819 -7.533 1.00 3.53 101D 368 ATOM 282 N3 G B 14 13.856 14.838 -6.923 1.00 5.58 101D 369 ATOM 283 C4 G B 14 12.725 14.196 -6.605 1.00 4.23 101D 370 ATOM 284 P C B 15 16.421 9.806 -3.395 1.00 8.94 101D 371 ATOM 285 O1P C B 15 15.407 9.449 -2.333 1.00 16.74 101D 372 ATOM 286 O2P C B 15 17.477 8.764 -3.573 1.00 14.68 101D 373 ATOM 287 O5* C B 15 17.072 11.236 -3.064 1.00 13.44 101D 374 ATOM 288 C5* C B 15 18.164 11.688 -3.871 1.00 10.84 101D 375 ATOM 289 C4* C B 15 18.137 13.186 -3.821 1.00 8.32 101D 376 ATOM 290 O4* C B 15 16.914 13.633 -4.310 1.00 7.97 101D 377 ATOM 291 C3* C B 15 18.275 13.701 -2.397 1.00 8.66 101D 378 ATOM 292 O3* C B 15 19.549 14.180 -2.168 1.00 15.18 101D 379 ATOM 293 C2* C B 15 17.319 14.869 -2.365 1.00 10.87 101D 380 ATOM 294 C1* C B 15 16.542 14.850 -3.623 1.00 4.19 101D 381 ATOM 295 N1 C B 15 15.074 14.842 -3.312 1.00 4.74 101D 382 ATOM 296 C2 C B 15 14.380 15.971 -3.636 1.00 0.00 101D 383 ATOM 297 O2 C B 15 14.938 16.945 -4.138 1.00 3.08 101D 384 ATOM 298 N3 C B 15 13.045 15.971 -3.388 1.00 3.43 101D 385 ATOM 299 C4 C B 15 12.417 14.905 -2.791 1.00 2.11 101D 386 ATOM 300 N4 C B 15 11.091 15.016 -2.600 1.00 3.92 101D 387 ATOM 301 C5 C B 15 13.154 13.768 -2.454 1.00 0.00 101D 388 ATOM 302 C6 C B 15 14.470 13.768 -2.702 1.00 0.04 101D 389 ATOM 303 P G B 16 20.520 14.545 -1.017 1.00 15.47 101D 390 ATOM 304 O1P G B 16 19.821 14.239 0.292 1.00 18.60 101D 391 ATOM 305 O2P G B 16 21.777 13.712 -1.201 1.00 22.75 101D 392 ATOM 306 O5* G B 16 20.979 16.086 -1.176 1.00 16.94 101D 393 ATOM 307 C5* G B 16 20.846 16.882 -2.365 1.00 13.62 101D 394 ATOM 308 C4* G B 16 20.285 18.225 -2.015 1.00 10.73 101D 395 ATOM 309 O4* G B 16 18.851 18.194 -2.022 1.00 8.74 101D 396 ATOM 310 C3* G B 16 20.697 18.748 -0.655 1.00 19.09 101D 397 ATOM 311 O3* G B 16 20.605 20.139 -0.407 1.00 24.00 101D 398 ATOM 312 C2* G B 16 19.557 18.174 0.222 1.00 15.78 101D 399 ATOM 313 C1* G B 16 18.392 18.594 -0.693 1.00 8.64 101D 400 ATOM 314 N9 G B 16 17.169 17.881 -0.324 1.00 10.95 101D 401 ATOM 315 C8 G B 16 17.008 16.720 0.381 1.00 0.00 101D 402 ATOM 316 N7 G B 16 15.792 16.343 0.496 1.00 6.26 101D 403 ATOM 317 C5 G B 16 15.030 17.322 -0.108 1.00 9.59 101D 404 ATOM 318 C6 G B 16 13.623 17.464 -0.299 1.00 7.59 101D 405 ATOM 319 O6 G B 16 12.742 16.712 0.127 1.00 10.70 101D 406 ATOM 320 N1 G B 16 13.232 18.582 -0.979 1.00 4.54 101D 407 ATOM 321 C2 G B 16 14.169 19.469 -1.443 1.00 8.14 101D 408 ATOM 322 N2 G B 16 13.683 20.575 -2.085 1.00 5.87 101D 409 ATOM 323 N3 G B 16 15.496 19.358 -1.316 1.00 5.07 101D 410 ATOM 324 C4 G B 16 15.870 18.281 -0.655 1.00 7.45 101D 411 ATOM 325 P A B 17 21.816 21.106 -0.095 1.00 30.73 101D 412 ATOM 326 O1P A B 17 22.188 20.741 1.290 1.00 24.67 101D 413 ATOM 327 O2P A B 17 23.035 20.971 -0.960 1.00 31.02 101D 414 ATOM 328 O5* A B 17 21.115 22.520 -0.470 1.00 24.58 101D 415 ATOM 329 C5* A B 17 20.105 22.587 -1.488 1.00 20.99 101D 416 ATOM 330 C4* A B 17 18.965 23.491 -1.119 1.00 17.50 101D 417 ATOM 331 O4* A B 17 17.814 22.774 -0.731 1.00 14.23 101D 418 ATOM 332 C3* A B 17 19.195 24.537 -0.025 1.00 22.08 101D 419 ATOM 333 O3* A B 17 18.637 25.832 -0.375 1.00 27.42 101D 420 ATOM 334 C2* A B 17 18.494 23.950 1.189 1.00 19.73 101D 421 ATOM 335 C1* A B 17 17.292 23.265 0.559 1.00 10.93 101D 422 ATOM 336 N9 A B 17 16.911 22.064 1.322 1.00 6.02 101D 423 ATOM 337 C8 A B 17 17.780 21.145 1.913 1.00 5.42 101D 424 ATOM 338 N7 A B 17 17.210 20.159 2.441 1.00 2.66 101D 425 ATOM 339 C5 A B 17 15.848 20.381 2.174 1.00 3.03 101D 426 ATOM 340 C6 A B 17 14.695 19.640 2.530 1.00 1.94 101D 427 ATOM 341 N6 A B 17 14.729 18.495 3.223 1.00 0.00 101D 428 ATOM 342 N1 A B 17 13.545 20.198 2.111 1.00 5.07 101D 429 ATOM 343 C2 A B 17 13.443 21.339 1.411 1.00 4.34 101D 430 ATOM 344 N3 A B 17 14.504 22.092 1.043 1.00 10.54 101D 431 ATOM 345 C4 A B 17 15.683 21.530 1.488 1.00 5.89 101D 432 ATOM 346 P A B 18 18.836 27.160 0.540 1.00 29.02 101D 433 ATOM 347 O1P A B 18 18.928 26.815 2.002 1.00 28.40 101D 434 ATOM 348 O2P A B 18 20.115 27.730 0.025 1.00 32.76 101D 435 ATOM 349 O5* A B 18 17.448 27.885 0.254 1.00 28.09 101D 436 ATOM 350 C5* A B 18 16.292 27.128 0.006 1.00 15.06 101D 437 ATOM 351 C4* A B 18 15.111 27.437 0.833 1.00 11.24 101D 438 ATOM 352 O4* A B 18 14.647 26.181 1.392 1.00 19.08 101D 439 ATOM 353 C3* A B 18 15.030 28.360 1.996 1.00 11.70 101D 440 ATOM 354 O3* A B 18 13.657 28.883 2.111 1.00 23.33 101D 441 ATOM 355 C2* A B 18 15.188 27.508 3.217 1.00 12.43 101D 442 ATOM 356 C1* A B 18 14.341 26.308 2.753 1.00 3.74 101D 443 ATOM 357 N9 A B 18 14.827 25.107 3.376 1.00 1.51 101D 444 ATOM 358 C8 A B 18 16.191 24.774 3.573 1.00 1.17 101D 445 ATOM 359 N7 A B 18 16.351 23.653 4.183 1.00 2.52 101D 446 ATOM 360 C5 A B 18 15.028 23.174 4.380 1.00 0.00 101D 447 ATOM 361 C6 A B 18 14.596 22.013 4.990 1.00 0.00 101D 448 ATOM 362 N6 A B 18 15.479 21.145 5.454 1.00 0.00 101D 449 ATOM 363 N1 A B 18 13.251 21.894 5.060 1.00 0.00 101D 450 ATOM 364 C2 A B 18 12.378 22.809 4.539 1.00 3.03 101D 451 ATOM 365 N3 A B 18 12.776 23.978 3.935 1.00 3.70 101D 452 ATOM 366 C4 A B 18 14.103 24.081 3.897 1.00 0.00 101D 453 ATOM 367 P T B 19 13.254 30.119 3.045 1.00 24.37 101D 454 ATOM 368 O1P T B 19 14.579 30.301 3.751 1.00 20.41 101D 455 ATOM 369 O2P T B 19 12.725 31.300 2.295 1.00 15.00 101D 456 ATOM 370 O5* T B 19 12.130 29.505 3.999 1.00 18.24 101D 457 ATOM 371 C5* T B 19 11.038 28.681 3.623 1.00 10.29 101D 458 ATOM 372 C4* T B 19 10.812 27.797 4.850 1.00 13.40 101D 459 ATOM 373 O4* T B 19 11.839 26.850 5.060 1.00 5.35 101D 460 ATOM 374 C3* T B 19 10.790 28.661 6.147 1.00 13.36 101D 461 ATOM 375 O3* T B 19 9.511 28.994 6.452 1.00 11.81 101D 462 ATOM 376 C2* T B 19 11.475 27.786 7.164 1.00 8.74 101D 463 ATOM 377 C1* T B 19 11.669 26.514 6.471 1.00 3.98 101D 464 ATOM 378 N1 T B 19 12.916 25.852 6.878 1.00 2.52 101D 465 ATOM 379 C2 T B 19 12.720 24.600 7.457 1.00 0.00 101D 466 ATOM 380 O2 T B 19 11.642 24.121 7.622 1.00 3.27 101D 467 ATOM 381 N3 T B 19 13.824 23.911 7.838 1.00 0.85 101D 468 ATOM 382 C4 T B 19 15.089 24.390 7.660 1.00 0.00 101D 469 ATOM 383 O4 T B 19 15.987 23.602 8.048 1.00 0.23 101D 470 ATOM 384 C5 T B 19 15.242 25.674 7.094 1.00 5.14 101D 471 ATOM 385 C5M T B 19 16.649 26.228 6.872 1.00 6.44 101D 472 ATOM 386 C6 T B 19 14.149 26.351 6.700 1.00 0.19 101D 473 ATOM 387 P T B 20 8.613 29.414 7.635 1.00 15.30 101D 474 ATOM 388 O1P T B 20 9.247 30.729 8.054 1.00 19.56 101D 475 ATOM 389 O2P T B 20 7.254 29.644 6.929 1.00 13.63 101D 476 ATOM 390 O5* T B 20 8.519 28.396 8.804 1.00 13.33 101D 477 ATOM 391 C5* T B 20 7.701 27.163 8.696 1.00 5.15 101D 478 ATOM 392 C4* T B 20 8.070 26.296 9.860 1.00 1.33 101D 479 ATOM 393 O4* T B 20 9.426 25.915 9.726 1.00 2.05 101D 480 ATOM 394 C3* T B 20 7.934 26.886 11.284 1.00 3.68 101D 481 ATOM 395 O3* T B 20 6.881 26.236 11.945 1.00 14.19 101D 482 ATOM 396 C2* T B 20 9.266 26.597 11.989 1.00 0.00 101D 483 ATOM 397 C1* T B 20 9.841 25.602 11.106 1.00 0.00 101D 484 ATOM 398 N1 T B 20 11.298 25.618 11.074 1.00 2.42 101D 485 ATOM 399 C2 T B 20 11.904 24.394 11.328 1.00 0.00 101D 486 ATOM 400 O2 T B 20 11.261 23.411 11.589 1.00 0.00 101D 487 ATOM 401 N3 T B 20 13.254 24.366 11.265 1.00 0.00 101D 488 ATOM 402 C4 T B 20 13.992 25.468 10.940 1.00 0.00 101D 489 ATOM 403 O4 T B 20 15.246 25.258 10.959 1.00 4.25 101D 490 ATOM 404 C5 T B 20 13.358 26.688 10.654 1.00 0.00 101D 491 ATOM 405 C5M T B 20 14.174 27.916 10.336 1.00 0.00 101D 492 ATOM 406 C6 T B 20 12.031 26.736 10.712 1.00 0.00 101D 493 ATOM 407 P +C B 21 6.320 26.434 13.407 1.00 15.11 101D 494 ATOM 408 O1P +C B 21 6.749 27.738 13.985 1.00 22.94 101D 495 ATOM 409 O2P +C B 21 4.859 26.252 13.191 1.00 20.90 101D 496 ATOM 410 O5* +C B 21 7.043 25.365 14.335 1.00 15.09 101D 497 ATOM 411 C5* +C B 21 6.922 23.990 13.941 1.00 11.62 101D 498 ATOM 412 C4* +C B 21 7.749 23.217 14.939 1.00 7.90 101D 499 ATOM 413 O4* +C B 21 9.113 23.404 14.627 1.00 9.80 101D 500 ATOM 414 C3* +C B 21 7.533 23.661 16.382 1.00 0.80 101D 501 ATOM 415 O3* +C B 21 6.876 22.516 16.999 1.00 8.53 101D 502 ATOM 416 C2* +C B 21 8.893 24.045 16.878 1.00 0.00 101D 503 ATOM 417 C1* +C B 21 9.856 23.522 15.924 1.00 1.59 101D 504 ATOM 418 N1 +C B 21 11.019 24.319 15.473 1.00 8.05 101D 505 ATOM 419 C2 +C B 21 12.268 23.705 15.428 1.00 0.09 101D 506 ATOM 420 O2 +C B 21 12.380 22.540 15.791 1.00 2.64 101D 507 ATOM 421 N3 +C B 21 13.334 24.410 14.990 1.00 0.11 101D 508 ATOM 422 C4 +C B 21 13.237 25.686 14.532 1.00 3.97 101D 509 ATOM 423 N4 +C B 21 14.314 26.320 14.049 1.00 0.00 101D 510 ATOM 424 C5 +C B 21 11.943 26.292 14.551 1.00 7.45 101D 511 ATOM 425 C6 +C B 21 10.863 25.595 15.015 1.00 3.14 101D 512 ATOM 426 P G B 22 6.291 22.425 18.480 1.00 10.09 101D 513 ATOM 427 O1P G B 22 6.060 23.899 18.658 1.00 8.74 101D 514 ATOM 428 O2P G B 22 5.242 21.347 18.531 1.00 10.80 101D 515 ATOM 429 O5* G B 22 7.475 21.930 19.497 1.00 6.92 101D 516 ATOM 430 C5* G B 22 8.295 20.816 19.020 1.00 2.08 101D 517 ATOM 431 C4* G B 22 9.572 20.797 19.764 1.00 0.49 101D 518 ATOM 432 O4* G B 22 10.567 21.577 19.103 1.00 3.80 101D 519 ATOM 433 C3* G B 22 9.616 21.320 21.169 1.00 0.68 101D 520 ATOM 434 O3* G B 22 10.669 20.717 21.938 1.00 6.16 101D 521 ATOM 435 C2* G B 22 10.016 22.785 21.016 1.00 0.00 101D 522 ATOM 436 C1* G B 22 11.159 22.492 20.050 1.00 1.67 101D 523 ATOM 437 N9 G B 22 11.637 23.720 19.427 1.00 0.00 101D 524 ATOM 438 C8 G B 22 11.026 24.881 19.128 1.00 0.00 101D 525 ATOM 439 N7 G B 22 11.781 25.769 18.601 1.00 4.35 101D 526 ATOM 440 C5 G B 22 13.035 25.119 18.524 1.00 2.03 101D 527 ATOM 441 C6 G B 22 14.305 25.547 18.035 1.00 0.81 101D 528 ATOM 442 O6 G B 22 14.523 26.668 17.545 1.00 0.00 101D 529 ATOM 443 N1 G B 22 15.300 24.636 18.200 1.00 0.00 101D 530 ATOM 444 C2 G B 22 15.115 23.435 18.740 1.00 0.00 101D 531 ATOM 445 N2 G B 22 16.154 22.595 18.823 1.00 5.08 101D 532 ATOM 446 N3 G B 22 13.950 22.952 19.224 1.00 4.97 101D 533 ATOM 447 C4 G B 22 12.953 23.883 19.058 1.00 2.36 101D 534 ATOM 448 P C B 23 10.186 19.648 23.050 1.00 9.52 101D 535 ATOM 449 O1P C B 23 9.803 20.476 24.195 1.00 14.19 101D 536 ATOM 450 O2P C B 23 9.128 18.907 22.300 1.00 13.94 101D 537 ATOM 451 O5* C B 23 11.538 18.764 23.197 1.00 17.14 101D 538 ATOM 452 C5* C B 23 12.111 18.352 21.906 1.00 14.78 101D 539 ATOM 453 C4* C B 23 13.603 18.364 22.059 1.00 14.26 101D 540 ATOM 454 O4* C B 23 14.232 19.541 21.671 1.00 9.74 101D 541 ATOM 455 C3* C B 23 14.174 18.114 23.476 1.00 14.68 101D 542 ATOM 456 O3* C B 23 15.297 17.251 23.260 1.00 18.12 101D 543 ATOM 457 C2* C B 23 14.533 19.477 24.029 1.00 0.18 101D 544 ATOM 458 C1* C B 23 14.984 20.123 22.758 1.00 3.78 101D 545 ATOM 459 N1 C B 23 14.637 21.541 22.637 1.00 5.21 101D 546 ATOM 460 C2 C B 23 15.618 22.342 22.078 1.00 6.76 101D 547 ATOM 461 O2 C B 23 16.700 21.866 21.792 1.00 6.72 101D 548 ATOM 462 N3 C B 23 15.317 23.677 21.932 1.00 10.02 101D 549 ATOM 463 C4 C B 23 14.115 24.232 22.250 1.00 7.10 101D 550 ATOM 464 N4 C B 23 13.904 25.543 22.033 1.00 0.00 101D 551 ATOM 465 C5 C B 23 13.108 23.372 22.777 1.00 7.82 101D 552 ATOM 466 C6 C B 23 13.414 22.064 22.930 1.00 4.87 101D 553 ATOM 467 P G B 24 15.967 16.347 24.405 1.00 28.28 101D 554 ATOM 468 O1P G B 24 15.043 16.312 25.587 1.00 22.79 101D 555 ATOM 469 O2P G B 24 16.200 14.964 23.832 1.00 27.79 101D 556 ATOM 470 O5* G B 24 17.290 17.159 24.722 1.00 28.58 101D 557 ATOM 471 C5* G B 24 18.246 17.920 23.998 1.00 16.71 101D 558 ATOM 472 C4* G B 24 18.914 18.907 24.951 1.00 12.60 101D 559 ATOM 473 O4* G B 24 18.372 20.147 24.710 1.00 5.80 101D 560 ATOM 474 C3* G B 24 18.654 18.701 26.432 1.00 14.53 101D 561 ATOM 475 O3* G B 24 19.678 17.873 27.024 1.00 22.51 101D 562 ATOM 476 C2* G B 24 18.593 20.091 27.036 1.00 12.59 101D 563 ATOM 477 C1* G B 24 18.681 20.995 25.860 1.00 8.49 101D 564 ATOM 478 N9 G B 24 17.627 22.013 25.822 1.00 10.33 101D 565 ATOM 479 C8 G B 24 16.312 21.854 26.191 1.00 7.57 101D 566 ATOM 480 N7 G B 24 15.579 22.904 26.013 1.00 8.17 101D 567 ATOM 481 C5 G B 24 16.467 23.824 25.441 1.00 5.92 101D 568 ATOM 482 C6 G B 24 16.256 25.159 25.040 1.00 9.51 101D 569 ATOM 483 O6 G B 24 15.193 25.805 25.110 1.00 11.38 101D 570 ATOM 484 N1 G B 24 17.380 25.781 24.551 1.00 9.55 101D 571 ATOM 485 C2 G B 24 18.598 25.147 24.436 1.00 9.22 101D 572 ATOM 486 N2 G B 24 19.520 25.991 23.890 1.00 0.67 101D 573 ATOM 487 N3 G B 24 18.851 23.879 24.780 1.00 1.61 101D 574 ATOM 488 C4 G B 24 17.734 23.301 25.301 1.00 7.73 101D 575 TER 489 G B 24 101D 576 HETATM 490 BR BR B 21 11.822 28.003 14.252 1.00 15.86 101D 577 HETATM 491 C1 NT 25 10.388 19.251 16.217 1.00 28.86 101D 578 HETATM 492 N1 NT 25 11.570 18.812 16.070 1.00 26.98 101D 579 HETATM 493 N2 NT 25 9.754 19.105 17.316 1.00 29.03 101D 580 HETATM 494 N3 NT 25 9.861 19.846 15.231 1.00 31.99 101D 581 HETATM 495 C2 NT 25 10.371 20.123 13.915 1.00 29.06 101D 582 HETATM 496 C3 NT 25 9.147 20.484 13.038 1.00 27.54 101D 583 HETATM 497 O1 NT 25 8.024 19.996 13.248 1.00 18.33 101D 584 HETATM 498 N4 NT 25 9.465 21.339 12.110 1.00 27.55 101D 585 HETATM 499 C4 NT 25 8.485 21.787 11.220 1.00 29.42 101D 586 HETATM 500 C5 NT 25 8.917 22.465 10.114 1.00 31.20 101D 587 HETATM 501 C6 NT 25 7.820 22.805 9.383 1.00 32.91 101D 588 HETATM 502 N5 NT 25 6.732 22.369 10.025 1.00 31.39 101D 589 HETATM 503 C8 NT 25 5.313 22.512 9.624 1.00 31.13 101D 590 HETATM 504 C7 NT 25 7.143 21.728 11.176 1.00 28.87 101D 591 HETATM 505 C9 NT 25 7.701 23.590 8.124 1.00 33.53 101D 592 HETATM 506 O2 NT 25 6.822 24.469 8.042 1.00 40.41 101D 593 HETATM 507 N6 NT 25 8.519 23.388 7.158 1.00 34.19 101D 594 HETATM 508 C10 NT 25 8.436 24.144 5.918 1.00 35.10 101D 595 HETATM 509 C11 NT 25 9.344 23.911 4.876 1.00 36.86 101D 596 HETATM 510 C12 NT 25 8.980 24.790 3.865 1.00 34.66 101D 597 HETATM 511 N7 NT 25 7.888 25.539 4.278 1.00 32.61 101D 598 HETATM 512 C14 NT 25 7.198 26.573 3.547 1.00 32.87 101D 599 HETATM 513 C13 NT 25 7.589 25.131 5.518 1.00 31.93 101D 600 HETATM 514 C15 NT 25 9.623 25.004 2.587 1.00 32.56 101D 601 HETATM 515 O3 NT 25 9.259 25.900 1.863 1.00 36.71 101D 602 HETATM 516 N8 NT 25 10.667 24.212 2.403 1.00 35.36 101D 603 HETATM 517 C16 NT 25 11.582 24.172 1.246 1.00 38.28 101D 604 HETATM 518 C17 NT 25 11.951 25.511 0.737 1.00 39.05 101D 605 HETATM 519 C18 NT 25 12.754 25.408 -0.572 1.00 45.66 101D 606 HETATM 520 N9 NT 25 12.407 26.121 -1.627 1.00 42.63 101D 607 HETATM 521 N10 NT 25 13.773 24.596 -0.566 1.00 43.85 101D 608 HETATM 522 MG MO3 26 14.569 30.915 19.077 1.00 20.27 101D 609 HETATM 523 O1 MO3 26 12.509 31.197 18.772 1.00 28.43 101D 610 HETATM 524 O2 MO3 26 14.108 29.006 19.986 1.00 5.80 101D 611 HETATM 525 O3 MO3 26 14.278 29.652 17.412 1.00 40.07 101D 612 HETATM 526 O HOH 27 14.970 33.396 25.422 1.00 22.75 101D 613 HETATM 527 O HOH 28 19.389 21.648 9.802 1.00 4.44 101D 614 HETATM 528 O HOH 29 14.404 30.488 7.552 1.00 17.67 101D 615 HETATM 529 O HOH 30 8.536 12.777 -2.460 1.00 11.44 101D 616 HETATM 530 O HOH 31 7.191 15.535 -6.382 1.00 26.22 101D 617 HETATM 531 O HOH 32 4.026 24.053 16.878 1.00 8.17 101D 618 HETATM 532 O HOH 33 22.605 19.687 10.890 1.00 16.77 101D 619 HETATM 533 O HOH 34 19.251 32.219 17.615 1.00 15.09 101D 620 HETATM 534 O HOH 35 26.869 19.105 17.119 1.00 4.87 101D 621 HETATM 535 O HOH 36 11.237 30.147 10.858 1.00 7.67 101D 622 HETATM 536 O HOH 37 13.349 26.946 27.875 1.00 16.91 101D 623 HETATM 537 O HOH 38 14.538 18.637 26.769 1.00 27.06 101D 624 HETATM 538 O HOH 39 26.901 24.798 14.221 1.00 27.87 101D 625 HETATM 539 O HOH 40 4.242 13.697 -11.627 1.00 16.63 101D 626 HETATM 540 O HOH 41 13.043 23.190 26.947 1.00 10.69 101D 627 HETATM 541 O HOH 42 5.759 22.936 22.294 1.00 21.47 101D 628 HETATM 542 O HOH 43 10.778 28.851 18.740 1.00 6.17 101D 629 HETATM 543 O HOH 44 20.314 24.814 12.002 1.00 14.25 101D 630 HETATM 544 O HOH 45 15.509 12.460 27.837 1.00 20.23 101D 631 HETATM 545 O HOH 46 12.533 32.679 22.834 1.00 15.73 101D 632 HETATM 546 O HOH 47 13.649 20.024 18.785 1.00 9.75 101D 633 HETATM 547 O HOH 48 24.054 35.234 22.593 1.00 14.33 101D 634 HETATM 548 O HOH 49 8.677 28.332 17.138 1.00 29.29 101D 635 HETATM 549 O HOH 50 4.264 26.656 16.598 1.00 14.57 101D 636 HETATM 550 O HOH 51 16.987 28.554 12.091 1.00 19.55 101D 637 HETATM 551 O HOH 52 1.922 19.834 10.158 1.00 22.02 101D 638 HETATM 552 O HOH 53 2.303 19.303 3.109 1.00 12.85 101D 639 HETATM 553 O HOH 54 9.157 14.762 0.572 1.00 37.05 101D 640 HETATM 554 O HOH 55 24.867 23.487 -2.734 1.00 24.19 101D 641 HETATM 555 O HOH 56 11.356 27.013 22.605 1.00 26.12 101D 642 HETATM 556 O HOH 57 19.836 28.594 8.518 1.00 35.67 101D 643 HETATM 557 O HOH 58 21.185 29.703 -2.034 1.00 26.63 101D 644 HETATM 558 O HOH 59 16.812 30.694 26.343 1.00 24.93 101D 645 CONECT 179 177 180 245 101D 646 CONECT 245 179 101D 647 CONECT 424 422 425 490 101D 648 CONECT 490 424 101D 649 CONECT 491 492 493 494 101D 650 CONECT 492 491 101D 651 CONECT 493 491 101D 652 CONECT 494 491 495 101D 653 CONECT 495 494 496 101D 654 CONECT 496 495 497 498 101D 655 CONECT 497 496 101D 656 CONECT 498 496 499 101D 657 CONECT 499 498 500 504 101D 658 CONECT 500 499 501 101D 659 CONECT 501 500 502 505 101D 660 CONECT 502 501 503 504 101D 661 CONECT 503 502 101D 662 CONECT 504 499 502 101D 663 CONECT 505 501 506 507 101D 664 CONECT 506 505 101D 665 CONECT 507 505 508 101D 666 CONECT 508 507 509 513 101D 667 CONECT 509 508 510 101D 668 CONECT 510 509 511 514 101D 669 CONECT 511 510 512 513 101D 670 CONECT 512 511 101D 671 CONECT 513 508 511 101D 672 CONECT 514 510 515 516 101D 673 CONECT 515 514 101D 674 CONECT 516 514 517 101D 675 CONECT 517 516 518 101D 676 CONECT 518 517 519 101D 677 CONECT 519 518 520 521 101D 678 CONECT 520 519 101D 679 CONECT 521 519 101D 680 CONECT 522 523 524 525 101D 681 CONECT 523 522 101D 682 CONECT 524 522 101D 683 CONECT 525 522 101D 684 MASTER 58 0 4 0 0 0 0 6 556 2 39 2 101D 685 END 101D 686 HEADER OXYGEN TRANSPORT 13-DEC-97 101M TITLE SPERM WHALE MYOGLOBIN F46V N-BUTYL ISOCYANIDE AT PH 9.0 COMPND MOL_ID: 1; COMPND 2 MOLECULE: MYOGLOBIN; COMPND 3 CHAIN: NULL; COMPND 4 ENGINEERED: SYNTHETIC GENE; COMPND 5 MUTATION: INS(M0), F46V, D122N SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; SOURCE 3 ORGANISM_COMMON: SPERM WHALE; SOURCE 4 TISSUE: SKELETAL MUSCLE; SOURCE 5 CELLULAR_LOCATION: CYTOPLASM; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: PHAGE RESISTANT TB1; SOURCE 8 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PEMBL 19+ KEYWDS LIGAND BINDING, OXYGEN STORAGE, OXYGEN BINDING, HEME, KEYWDS 2 OXYGEN TRANSPORT EXPDTA X-RAY DIFFRACTION AUTHOR R.D.SMITH,J.S.OLSON,G.N.PHILLIPS JR. REVDAT 3 03-MAY-05 101M 1 AUTHOR REVDAT 2 17-MAY-99 101M 1 JRNL HELIX REVDAT 1 08-APR-98 101M 0 JRNL AUTH R.D.SMITH JRNL TITL CORRELATIONS BETWEEN BOUND N-ALKYL ISOCYANIDE JRNL TITL 2 ORIENTATIONS AND PATHWAYS FOR LIGAND BINDING JRNL TITL 3 IN RECOMBINANT MYOGLOBINS JRNL REF THESIS, RICE JRNL REFN US ISSN 1047-8477 0806 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.07 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.07 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 5.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.0 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.00 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.001000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.8 REMARK 3 NUMBER OF REFLECTIONS : 12340 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.157 REMARK 3 FREE R VALUE : 0.202 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.9 REMARK 3 FREE R VALUE TEST SET COUNT : 1220 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.07 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.16 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 92.9 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1287 REMARK 3 BIN R VALUE (WORKING SET) : 0.209 REMARK 3 BIN FREE R VALUE : 0.211 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 11.1 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 161 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.017 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1221 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 49 REMARK 3 SOLVENT ATOMS : 143 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 14.0 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 24.8 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.18 REMARK 3 ESD FROM SIGMAA (A) : 0.17 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.23 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.15 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.010 REMARK 3 BOND ANGLES (DEGREES) : 1.4 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 18.9 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.36 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 2.47 ; 1.50 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.86 ; 2.00 REMARK 3 SIDE-CHAIN BOND (A**2) : 8.73 ; 2.50 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 12.90 ; 2.50 REMARK 3 REMARK 3 NCS MODEL : NONE REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : PARAMETER.HEME REMARK 3 PARAMETER FILE 3 : PARAMETER.NBNC REMARK 3 PARAMETER FILE 4 : PARAM19.SOLV REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TOPOLOGY.HEME REMARK 3 TOPOLOGY FILE 3 : TOPOLOGY.NBNC REMARK 3 TOPOLOGY FILE 4 : TOPH19.SOLV REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 101M COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996 REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : SEP-1994 REMARK 200 TEMPERATURE (KELVIN) : 292 REMARK 200 PH : 9.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : SIEMENS REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE REMARK 200 OPTICS : PINHOLE COLLIMATOR REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13624 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.07 REMARK 200 RESOLUTION RANGE LOW (A) : 6.00 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0. REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 7.45 REMARK 200 R MERGE (I) : 0.070 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.07 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.08 REMARK 200 COMPLETENESS FOR SHELL (%) : 100. REMARK 200 DATA REDUNDANCY IN SHELL : 7.1 REMARK 200 R MERGE FOR SHELL (I) : 0.297 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REMARK 200 REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR 3.851 REMARK 200 STARTING MODEL: SPERM WHALE MYOGLOBIN 0M, D122N (DEOXY) REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 60.27 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.096 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 3.0 M AMMONIUM SULFATE, 20 MM REMARK 280 TRIS, 1MM EDTA, PH 9.0 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 6 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z REMARK 290 3555 Y-X,-X,Z REMARK 290 4555 -X,-Y,Z REMARK 290 5555 Y,Y-X,Z REMARK 290 6555 X-Y,X,Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.865982 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866069 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -0.500000 0.865982 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866069 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 0.500000 0.865982 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866069 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 0.500000 -0.865982 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866069 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 HOH 332 LIES ON A SPECIAL POSITION. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. SOME OF THESE MAY BE ATOMS REMARK 500 LOCATED ON SPECIAL POSITIONS IN THE CELL. ATOMS WITH REMARK 500 NON-BLANK ALTERNATE LOCATION INDICATORS ARE NOT INCLUDED REMARK 500 IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH 332 O HOH 332 2655 0.12 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: HEM REMARK 800 SITE_DESCRIPTION: LIGAND BINDING SITE. REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 THIS ENTRY IS RELATED TO PDB ENTRIES 102M, 103M, 104M, REMARK 900 105M, 106M, 107M, 108M, 109M, 110M, 111M, 112M. REMARK 999 REMARK 999 SEQUENCE REMARK 999 MET 0 - MET 0 - MISSING FROM SWS P02185 DBREF 101M 1 153 SWS P02185 MYG_PHYCA 1 153 SEQADV 101M VAL 46 SWS P02185 PHE 46 ENGINEERED SEQADV 101M ASN 122 SWS P02185 ASP 122 ENGINEERED SEQRES 1 154 MET VAL LEU SER GLU GLY GLU TRP GLN LEU VAL LEU HIS SEQRES 2 154 VAL TRP ALA LYS VAL GLU ALA ASP VAL ALA GLY HIS GLY SEQRES 3 154 GLN ASP ILE LEU ILE ARG LEU PHE LYS SER HIS PRO GLU SEQRES 4 154 THR LEU GLU LYS PHE ASP ARG VAL LYS HIS LEU LYS THR SEQRES 5 154 GLU ALA GLU MET LYS ALA SER GLU ASP LEU LYS LYS HIS SEQRES 6 154 GLY VAL THR VAL LEU THR ALA LEU GLY ALA ILE LEU LYS SEQRES 7 154 LYS LYS GLY HIS HIS GLU ALA GLU LEU LYS PRO LEU ALA SEQRES 8 154 GLN SER HIS ALA THR LYS HIS LYS ILE PRO ILE LYS TYR SEQRES 9 154 LEU GLU PHE ILE SER GLU ALA ILE ILE HIS VAL LEU HIS SEQRES 10 154 SER ARG HIS PRO GLY ASN PHE GLY ALA ASP ALA GLN GLY SEQRES 11 154 ALA MET ASN LYS ALA LEU GLU LEU PHE ARG LYS ASP ILE SEQRES 12 154 ALA ALA LYS TYR LYS GLU LEU GLY TYR GLN GLY HET HEM 155 43 PROTOPORPHYRIN IX CONTAINS FE(II) HET NBN 156 6 HET SO4 157 5 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETNAM NBN N-BUTYL ISOCYANIDE HETNAM SO4 SULFATE ION HETSYN HEM HEME FORMUL 2 HEM C34 H32 N4 O4 FE1 FORMUL 3 NBN C5 H9 N1 FORMUL 4 SO4 O4 S1 2- FORMUL 5 HOH *138(H2 O1) HELIX 1 1 SER 3 GLU 18 16 HELIX 2 2 ASP 20 SER 35 16 HELIX 3 3 HIS 36 LYS 42 7 HELIX 4 4 THR 51 ALA 57 7 HELIX 5 5 SER 58 LYS 77 20 HELIX 6 6 LEU 86 ALA 94 9 HELIX 7 7 PRO 100 ARG 118 19 HELIX 8 8 GLY 124 LEU 149 26 LINK FE HEM 155 NE2 HIS 93 LINK FE HEM 155 C NBN 156 SITE 1 HEM 1 HEM 155 CRYST1 91.670 91.670 45.970 90.00 90.00 120.00 P 6 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.010909 0.006298 0.000000 0.00000 SCALE2 0.000000 0.012596 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021753 0.00000 ATOM 1 N MET 0 24.277 8.374 -9.854 1.00 38.41 N ATOM 2 CA MET 0 24.404 9.859 -9.939 1.00 37.90 C ATOM 3 C MET 0 25.814 10.249 -10.359 1.00 36.65 C ATOM 4 O MET 0 26.748 9.469 -10.197 1.00 37.13 O ATOM 5 CB MET 0 24.070 10.495 -8.596 1.00 39.58 C ATOM 6 CG MET 0 24.880 9.939 -7.442 1.00 41.49 C ATOM 7 SD MET 0 24.262 10.555 -5.873 1.00 44.70 S ATOM 8 CE MET 0 24.822 12.266 -5.967 1.00 41.59 C ATOM 9 N VAL 1 25.964 11.453 -10.903 1.00 34.54 N ATOM 10 CA VAL 1 27.263 11.924 -11.359 1.00 32.46 C ATOM 11 C VAL 1 27.392 13.428 -11.115 1.00 30.70 C ATOM 12 O VAL 1 26.443 14.184 -11.327 1.00 31.42 O ATOM 13 CB VAL 1 27.455 11.631 -12.878 1.00 32.95 C ATOM 14 CG1 VAL 1 28.756 12.209 -13.382 1.00 32.87 C ATOM 15 CG2 VAL 1 27.432 10.131 -13.140 1.00 33.54 C ATOM 16 N LEU 2 28.555 13.855 -10.636 1.00 27.76 N ATOM 17 CA LEU 2 28.797 15.269 -10.390 1.00 25.21 C ATOM 18 C LEU 2 29.492 15.903 -11.585 1.00 24.21 C ATOM 19 O LEU 2 30.250 15.240 -12.306 1.00 23.80 O ATOM 20 CB LEU 2 29.688 15.470 -9.152 1.00 24.30 C ATOM 21 CG LEU 2 29.084 15.416 -7.751 1.00 22.96 C ATOM 22 CD1 LEU 2 28.730 13.988 -7.390 1.00 22.03 C ATOM 23 CD2 LEU 2 30.085 16.008 -6.776 1.00 21.94 C ATOM 24 N SER 3 29.236 17.185 -11.800 1.00 23.04 N ATOM 25 CA SER 3 29.898 17.894 -12.882 1.00 22.62 C ATOM 26 C SER 3 31.282 18.336 -12.384 1.00 22.06 C ATOM 27 O SER 3 31.565 18.268 -11.188 1.00 21.06 O ATOM 28 CB SER 3 29.061 19.097 -13.312 1.00 22.96 C ATOM 29 OG SER 3 28.916 20.026 -12.260 1.00 24.01 O ATOM 30 N GLU 4 32.151 18.759 -13.296 1.00 17.46 N ATOM 31 CA GLU 4 33.489 19.212 -12.922 1.00 24.04 C ATOM 32 C GLU 4 33.346 20.443 -12.019 1.00 21.74 C ATOM 33 O GLU 4 34.115 20.620 -11.076 1.00 20.06 O ATOM 34 CB GLU 4 34.316 19.551 -14.178 1.00 22.74 C ATOM 35 CG GLU 4 35.720 20.158 -13.921 1.00 18.42 C ATOM 36 CD GLU 4 36.690 19.210 -13.205 1.00 27.97 C ATOM 37 OE1 GLU 4 36.449 17.987 -13.166 1.00 27.73 O ATOM 38 OE2 GLU 4 37.711 19.692 -12.684 1.00 28.70 O ATOM 39 N GLY 5 32.351 21.280 -12.308 1.00 19.09 N ATOM 40 CA GLY 5 32.118 22.472 -11.504 1.00 18.12 C ATOM 41 C GLY 5 31.837 22.114 -10.053 1.00 18.29 C ATOM 42 O GLY 5 32.353 22.758 -9.137 1.00 17.54 O ATOM 43 N GLU 6 31.033 21.069 -9.845 1.00 16.68 N ATOM 44 CA GLU 6 30.702 20.617 -8.498 1.00 13.59 C ATOM 45 C GLU 6 31.945 20.007 -7.807 1.00 17.58 C ATOM 46 O GLU 6 32.199 20.278 -6.638 1.00 14.97 O ATOM 47 CB GLU 6 29.510 19.648 -8.533 1.00 13.04 C ATOM 48 CG GLU 6 28.179 20.319 -8.911 1.00 16.58 C ATOM 49 CD GLU 6 27.056 19.316 -9.262 1.00 18.86 C ATOM 50 OE1 GLU 6 27.338 18.242 -9.832 1.00 23.67 O ATOM 51 OE2 GLU 6 25.881 19.612 -8.979 1.00 29.24 O ATOM 52 N TRP 7 32.747 19.242 -8.545 1.00 15.06 N ATOM 53 CA TRP 7 33.970 18.675 -7.985 1.00 15.72 C ATOM 54 C TRP 7 34.932 19.799 -7.595 1.00 16.03 C ATOM 55 O TRP 7 35.645 19.687 -6.599 1.00 16.52 O ATOM 56 CB TRP 7 34.672 17.733 -8.986 1.00 15.72 C ATOM 57 CG TRP 7 34.046 16.382 -9.056 1.00 15.35 C ATOM 58 CD1 TRP 7 33.473 15.795 -10.149 1.00 15.74 C ATOM 59 CD2 TRP 7 33.874 15.466 -7.966 1.00 15.25 C ATOM 60 NE1 TRP 7 32.940 14.573 -9.804 1.00 15.28 N ATOM 61 CE2 TRP 7 33.168 14.345 -8.469 1.00 15.63 C ATOM 62 CE3 TRP 7 34.237 15.486 -6.608 1.00 14.98 C ATOM 63 CZ2 TRP 7 32.813 13.244 -7.652 1.00 15.14 C ATOM 64 CZ3 TRP 7 33.884 14.394 -5.801 1.00 15.08 C ATOM 65 CH2 TRP 7 33.178 13.290 -6.328 1.00 14.28 C ATOM 66 N GLN 8 34.973 20.871 -8.388 1.00 15.81 N ATOM 67 CA GLN 8 35.856 21.987 -8.080 1.00 16.01 C ATOM 68 C GLN 8 35.445 22.668 -6.769 1.00 15.78 C ATOM 69 O GLN 8 36.305 23.057 -5.973 1.00 15.65 O ATOM 70 CB GLN 8 35.893 22.989 -9.235 1.00 17.95 C ATOM 71 CG GLN 8 36.613 22.459 -10.451 1.00 25.32 C ATOM 72 CD GLN 8 38.055 22.125 -10.145 1.00 39.60 C ATOM 73 OE1 GLN 8 38.883 23.023 -9.983 1.00 67.02 O ATOM 74 NE2 GLN 8 38.366 20.830 -10.043 1.00 43.80 N ATOM 75 N LEU 9 34.141 22.788 -6.533 1.00 14.97 N ATOM 76 CA LEU 9 33.661 23.390 -5.284 1.00 14.87 C ATOM 77 C LEU 9 34.055 22.525 -4.081 1.00 14.68 C ATOM 78 O LEU 9 34.515 23.031 -3.061 1.00 14.85 O ATOM 79 CB LEU 9 32.141 23.586 -5.317 1.00 15.27 C ATOM 80 CG LEU 9 31.668 24.723 -6.235 1.00 15.96 C ATOM 81 CD1 LEU 9 30.164 24.757 -6.306 1.00 15.80 C ATOM 82 CD2 LEU 9 32.205 26.043 -5.730 1.00 16.40 C ATOM 83 N VAL 10 33.913 21.215 -4.236 1.00 13.96 N ATOM 84 CA VAL 10 34.247 20.256 -3.195 1.00 13.50 C ATOM 85 C VAL 10 35.742 20.293 -2.878 1.00 14.08 C ATOM 86 O VAL 10 36.144 20.446 -1.721 1.00 14.08 O ATOM 87 CB VAL 10 33.821 18.826 -3.640 1.00 13.81 C ATOM 88 CG1 VAL 10 34.428 17.746 -2.739 1.00 13.51 C ATOM 89 CG2 VAL 10 32.289 18.724 -3.657 1.00 13.28 C ATOM 90 N LEU 11 36.563 20.208 -3.915 1.00 14.31 N ATOM 91 CA LEU 11 38.005 20.200 -3.741 1.00 14.80 C ATOM 92 C LEU 11 38.590 21.529 -3.282 1.00 15.08 C ATOM 93 O LEU 11 39.613 21.537 -2.605 1.00 15.16 O ATOM 94 CB LEU 11 38.690 19.677 -5.007 1.00 15.74 C ATOM 95 CG LEU 11 38.310 18.212 -5.299 1.00 16.67 C ATOM 96 CD1 LEU 11 38.911 17.765 -6.605 1.00 18.20 C ATOM 97 CD2 LEU 11 38.778 17.300 -4.167 1.00 17.64 C ATOM 98 N HIS 12 37.915 22.640 -3.577 1.00 15.37 N ATOM 99 CA HIS 12 38.390 23.965 -3.145 1.00 15.95 C ATOM 100 C HIS 12 38.229 24.124 -1.625 1.00 15.98 C ATOM 101 O HIS 12 39.105 24.662 -0.963 1.00 16.51 O ATOM 102 CB HIS 12 37.650 25.092 -3.887 1.00 19.33 C ATOM 103 CG HIS 12 38.064 26.470 -3.467 1.00 28.57 C ATOM 104 ND1 HIS 12 39.323 26.998 -3.668 1.00 38.92 N ATOM 105 CD2 HIS 12 37.357 27.443 -2.836 1.00 35.58 C ATOM 106 CE1 HIS 12 39.341 28.247 -3.167 1.00 37.34 C ATOM 107 NE2 HIS 12 38.171 28.566 -2.650 1.00 33.72 N ATOM 108 N VAL 13 37.107 23.672 -1.070 1.00 15.74 N ATOM 109 CA VAL 13 36.934 23.758 0.379 1.00 15.64 C ATOM 110 C VAL 13 37.792 22.681 1.085 1.00 15.33 C ATOM 111 O VAL 13 38.342 22.921 2.160 1.00 15.39 O ATOM 112 CB VAL 13 35.424 23.682 0.816 1.00 16.72 C ATOM 113 CG1 VAL 13 34.851 22.287 0.601 1.00 16.66 C ATOM 114 CG2 VAL 13 35.283 24.085 2.288 1.00 17.08 C ATOM 115 N TRP 14 37.958 21.524 0.448 1.00 14.73 N ATOM 116 CA TRP 14 38.770 20.457 1.017 1.00 14.75 C ATOM 117 C TRP 14 40.241 20.879 1.166 1.00 14.64 C ATOM 118 O TRP 14 40.921 20.456 2.099 1.00 15.14 O ATOM 119 CB TRP 14 38.673 19.191 0.164 1.00 15.26 C ATOM 120 CG TRP 14 39.146 17.993 0.901 1.00 16.17 C ATOM 121 CD1 TRP 14 40.356 17.387 0.782 1.00 16.11 C ATOM 122 CD2 TRP 14 38.458 17.320 1.969 1.00 16.43 C ATOM 123 NE1 TRP 14 40.477 16.388 1.722 1.00 16.54 N ATOM 124 CE2 TRP 14 39.328 16.325 2.463 1.00 15.93 C ATOM 125 CE3 TRP 14 37.191 17.471 2.561 1.00 16.69 C ATOM 126 CZ2 TRP 14 38.983 15.480 3.522 1.00 16.79 C ATOM 127 CZ3 TRP 14 36.842 16.622 3.626 1.00 17.61 C ATOM 128 CH2 TRP 14 37.744 15.638 4.093 1.00 16.93 C ATOM 129 N ALA 15 40.726 21.722 0.254 1.00 14.42 N ATOM 130 CA ALA 15 42.095 22.214 0.312 1.00 14.00 C ATOM 131 C ALA 15 42.328 22.999 1.608 1.00 14.30 C ATOM 132 O ALA 15 43.427 22.982 2.156 1.00 14.23 O ATOM 133 CB ALA 15 42.389 23.080 -0.896 1.00 14.14 C ATOM 134 N LYS 16 41.270 23.635 2.124 1.00 15.22 N ATOM 135 CA LYS 16 41.345 24.400 3.376 1.00 17.82 C ATOM 136 C LYS 16 41.371 23.426 4.548 1.00 14.95 C ATOM 137 O LYS 16 42.124 23.616 5.491 1.00 18.06 O ATOM 138 CB LYS 16 40.146 25.350 3.539 1.00 11.85 C ATOM 139 CG LYS 16 39.931 26.312 2.396 1.00 15.52 C ATOM 140 CD LYS 16 41.171 27.093 2.107 1.00 22.34 C ATOM 141 CE LYS 16 41.010 27.867 0.817 1.00 43.61 C ATOM 142 NZ LYS 16 42.298 28.453 0.378 1.00 41.54 N ATOM 143 N VAL 17 40.524 22.398 4.491 1.00 12.40 N ATOM 144 CA VAL 17 40.473 21.367 5.522 1.00 12.29 C ATOM 145 C VAL 17 41.872 20.771 5.701 1.00 12.32 C ATOM 146 O VAL 17 42.329 20.560 6.829 1.00 12.74 O ATOM 147 CB VAL 17 39.496 20.242 5.116 1.00 12.43 C ATOM 148 CG1 VAL 17 39.596 19.045 6.073 1.00 12.58 C ATOM 149 CG2 VAL 17 38.088 20.787 5.082 1.00 13.47 C ATOM 150 N GLU 18 42.553 20.513 4.584 1.00 13.88 N ATOM 151 CA GLU 18 43.904 19.940 4.618 1.00 14.94 C ATOM 152 C GLU 18 44.991 20.813 5.262 1.00 16.26 C ATOM 153 O GLU 18 46.070 20.322 5.560 1.00 15.32 O ATOM 154 CB GLU 18 44.327 19.461 3.235 1.00 12.91 C ATOM 155 CG GLU 18 43.572 18.228 2.808 1.00 13.99 C ATOM 156 CD GLU 18 44.011 17.692 1.458 1.00 16.75 C ATOM 157 OE1 GLU 18 44.559 18.458 0.644 1.00 21.92 O ATOM 158 OE2 GLU 18 43.791 16.493 1.217 1.00 23.33 O ATOM 159 N ALA 19 44.708 22.090 5.501 1.00 14.20 N ATOM 160 CA ALA 19 45.686 22.946 6.169 1.00 14.94 C ATOM 161 C ALA 19 45.780 22.500 7.624 1.00 14.81 C ATOM 162 O ALA 19 46.773 22.759 8.295 1.00 15.01 O ATOM 163 CB ALA 19 45.259 24.418 6.110 1.00 14.54 C ATOM 164 N ASP 20 44.731 21.837 8.111 1.00 12.28 N ATOM 165 CA ASP 20 44.693 21.368 9.492 1.00 12.72 C ATOM 166 C ASP 20 43.810 20.117 9.606 1.00 18.12 C ATOM 167 O ASP 20 42.686 20.173 10.131 1.00 13.62 O ATOM 168 CB ASP 20 44.157 22.490 10.403 1.00 10.25 C ATOM 169 CG ASP 20 44.073 22.074 11.865 1.00 19.39 C ATOM 170 OD1 ASP 20 44.848 21.187 12.301 1.00 17.74 O ATOM 171 OD2 ASP 20 43.195 22.613 12.564 1.00 26.16 O ATOM 172 N VAL 21 44.343 18.987 9.164 1.00 14.51 N ATOM 173 CA VAL 21 43.597 17.741 9.183 1.00 16.06 C ATOM 174 C VAL 21 43.223 17.273 10.588 1.00 15.92 C ATOM 175 O VAL 21 42.095 16.857 10.810 1.00 16.38 O ATOM 176 CB VAL 21 44.360 16.610 8.409 1.00 17.48 C ATOM 177 CG1 VAL 21 43.603 15.292 8.507 1.00 16.78 C ATOM 178 CG2 VAL 21 44.521 17.021 6.937 1.00 17.19 C ATOM 179 N ALA 22 44.151 17.364 11.537 1.00 15.42 N ATOM 180 CA ALA 22 43.871 16.937 12.907 1.00 15.58 C ATOM 181 C ALA 22 42.787 17.773 13.591 1.00 15.11 C ATOM 182 O ALA 22 41.894 17.227 14.221 1.00 14.57 O ATOM 183 CB ALA 22 45.154 16.940 13.734 1.00 16.03 C ATOM 184 N GLY 23 42.865 19.094 13.443 1.00 14.85 N ATOM 185 CA GLY 23 41.882 19.978 14.035 1.00 13.95 C ATOM 186 C GLY 23 40.485 19.730 13.490 1.00 13.74 C ATOM 187 O GLY 23 39.507 19.711 14.255 1.00 13.81 O ATOM 188 N HIS 24 40.369 19.561 12.175 1.00 13.07 N ATOM 189 CA HIS 24 39.059 19.308 11.561 1.00 12.67 C ATOM 190 C HIS 24 38.525 17.941 11.970 1.00 12.65 C ATOM 191 O HIS 24 37.326 17.804 12.187 1.00 13.43 O ATOM 192 CB HIS 24 39.138 19.392 10.037 1.00 10.49 C ATOM 193 CG HIS 24 39.212 20.790 9.513 1.00 13.59 C ATOM 194 ND1 HIS 24 40.371 21.531 9.447 1.00 10.53 N ATOM 195 CD2 HIS 24 38.245 21.571 8.963 1.00 10.81 C ATOM 196 CE1 HIS 24 40.078 22.706 8.860 1.00 11.16 C ATOM 197 NE2 HIS 24 38.798 22.777 8.549 1.00 12.09 N ATOM 198 N GLY 25 39.410 16.943 12.063 1.00 12.41 N ATOM 199 CA GLY 25 39.014 15.593 12.468 1.00 13.17 C ATOM 200 C GLY 25 38.428 15.545 13.875 1.00 13.87 C ATOM 201 O GLY 25 37.460 14.826 14.124 1.00 13.35 O ATOM 202 N GLN 26 39.034 16.291 14.804 1.00 14.34 N ATOM 203 CA GLN 26 38.534 16.366 16.171 1.00 15.16 C ATOM 204 C GLN 26 37.140 17.000 16.198 1.00 15.26 C ATOM 205 O GLN 26 36.221 16.467 16.829 1.00 15.39 O ATOM 206 CB GLN 26 39.448 17.215 17.054 1.00 17.03 C ATOM 207 CG GLN 26 40.466 16.432 17.822 1.00 28.33 C ATOM 208 CD GLN 26 41.526 17.332 18.433 1.00 40.00 C ATOM 209 OE1 GLN 26 42.133 18.162 17.746 1.00 36.88 O ATOM 210 NE2 GLN 26 41.709 17.218 19.740 1.00 36.42 N ATOM 211 N ASP 27 37.003 18.168 15.568 1.00 10.78 N ATOM 212 CA ASP 27 35.721 18.874 15.540 1.00 12.70 C ATOM 213 C ASP 27 34.599 18.016 14.999 1.00 15.39 C ATOM 214 O ASP 27 33.494 18.020 15.527 1.00 12.27 O ATOM 215 CB ASP 27 35.820 20.133 14.669 1.00 11.23 C ATOM 216 CG ASP 27 36.637 21.235 15.311 1.00 27.34 C ATOM 217 OD1 ASP 27 37.197 21.014 16.412 1.00 27.80 O ATOM 218 OD2 ASP 27 36.720 22.323 14.702 1.00 23.75 O ATOM 219 N ILE 28 34.880 17.341 13.890 1.00 12.88 N ATOM 220 CA ILE 28 33.906 16.477 13.242 1.00 13.76 C ATOM 221 C ILE 28 33.472 15.291 14.124 1.00 14.47 C ATOM 222 O ILE 28 32.263 15.032 14.276 1.00 14.63 O ATOM 223 CB ILE 28 34.446 15.993 11.846 1.00 13.13 C ATOM 224 CG1 ILE 28 34.381 17.154 10.842 1.00 13.35 C ATOM 225 CG2 ILE 28 33.644 14.809 11.323 1.00 12.02 C ATOM 226 CD1 ILE 28 35.210 16.957 9.578 1.00 12.89 C ATOM 227 N LEU 29 34.440 14.596 14.731 1.00 15.19 N ATOM 228 CA LEU 29 34.118 13.441 15.571 1.00 15.68 C ATOM 229 C LEU 29 33.400 13.853 16.847 1.00 16.10 C ATOM 230 O LEU 29 32.471 13.181 17.283 1.00 16.45 O ATOM 231 CB LEU 29 35.359 12.614 15.898 1.00 15.76 C ATOM 232 CG LEU 29 35.978 11.809 14.749 1.00 16.40 C ATOM 233 CD1 LEU 29 37.043 10.854 15.303 1.00 16.35 C ATOM 234 CD2 LEU 29 34.917 11.008 14.016 1.00 17.12 C ATOM 235 N ILE 30 33.818 14.971 17.432 1.00 16.13 N ATOM 236 CA ILE 30 33.178 15.463 18.644 1.00 16.60 C ATOM 237 C ILE 30 31.725 15.839 18.311 1.00 17.11 C ATOM 238 O ILE 30 30.798 15.495 19.058 1.00 17.25 O ATOM 239 CB ILE 30 33.974 16.652 19.250 1.00 15.99 C ATOM 240 CG1 ILE 30 35.260 16.118 19.907 1.00 16.25 C ATOM 241 CG2 ILE 30 33.113 17.437 20.245 1.00 16.34 C ATOM 242 CD1 ILE 30 36.262 17.204 20.328 1.00 15.83 C ATOM 243 N ARG 31 31.529 16.494 17.168 1.00 16.96 N ATOM 244 CA ARG 31 30.191 16.862 16.720 1.00 17.72 C ATOM 245 C ARG 31 29.353 15.590 16.560 1.00 18.25 C ATOM 246 O ARG 31 28.242 15.514 17.080 1.00 18.06 O ATOM 247 CB ARG 31 30.274 17.644 15.403 1.00 19.03 C ATOM 248 CG ARG 31 28.959 17.951 14.704 1.00 27.75 C ATOM 249 CD ARG 31 27.820 18.210 15.662 1.00 35.54 C ATOM 250 NE ARG 31 27.590 19.622 15.937 1.00 55.89 N ATOM 251 CZ ARG 31 26.431 20.247 15.732 1.00 59.53 C ATOM 252 NH1 ARG 31 25.407 19.623 15.163 1.00 55.77 N ATOM 253 NH2 ARG 31 26.316 21.528 16.038 1.00 80.31 N ATOM 254 N LEU 32 29.923 14.573 15.913 1.00 18.72 N ATOM 255 CA LEU 32 29.229 13.303 15.710 1.00 18.89 C ATOM 256 C LEU 32 28.820 12.652 17.035 1.00 19.55 C ATOM 257 O LEU 32 27.656 12.283 17.216 1.00 19.27 O ATOM 258 CB LEU 32 30.107 12.321 14.912 1.00 18.43 C ATOM 259 CG LEU 32 29.518 10.900 14.774 1.00 18.35 C ATOM 260 CD1 LEU 32 28.310 10.917 13.853 1.00 16.58 C ATOM 261 CD2 LEU 32 30.569 9.897 14.281 1.00 17.13 C ATOM 262 N PHE 33 29.785 12.525 17.950 1.00 20.12 N ATOM 263 CA PHE 33 29.574 11.902 19.263 1.00 20.56 C ATOM 264 C PHE 33 28.594 12.652 20.164 1.00 21.82 C ATOM 265 O PHE 33 27.863 12.029 20.941 1.00 23.10 O ATOM 266 CB PHE 33 30.905 11.724 19.981 1.00 19.32 C ATOM 267 CG PHE 33 31.858 10.805 19.263 1.00 18.94 C ATOM 268 CD1 PHE 33 31.375 9.740 18.495 1.00 17.83 C ATOM 269 CD2 PHE 33 33.239 10.991 19.365 1.00 17.60 C ATOM 270 CE1 PHE 33 32.254 8.878 17.843 1.00 17.15 C ATOM 271 CE2 PHE 33 34.119 10.133 18.714 1.00 17.04 C ATOM 272 CZ PHE 33 33.617 9.072 17.951 1.00 17.09 C ATOM 273 N LYS 34 28.568 13.977 20.061 1.00 23.38 N ATOM 274 CA LYS 34 27.645 14.757 20.863 1.00 25.09 C ATOM 275 C LYS 34 26.242 14.704 20.284 1.00 25.17 C ATOM 276 O LYS 34 25.273 14.626 21.026 1.00 38.31 O ATOM 277 CB LYS 34 28.086 16.223 20.966 1.00 20.77 C ATOM 278 CG LYS 34 29.350 16.430 21.783 1.00 42.45 C ATOM 279 CD LYS 34 29.403 17.826 22.398 1.00 68.05 C ATOM 280 CE LYS 34 29.075 18.906 21.384 1.00 74.10 C ATOM 281 NZ LYS 34 29.655 20.230 21.749 1.00 58.94 N ATOM 282 N SER 35 26.131 14.777 18.961 1.00 26.05 N ATOM 283 CA SER 35 24.834 14.759 18.309 1.00 26.21 C ATOM 284 C SER 35 24.189 13.390 18.335 1.00 26.05 C ATOM 285 O SER 35 22.970 13.289 18.389 1.00 25.95 O ATOM 286 CB SER 35 24.960 15.191 16.854 1.00 26.90 C ATOM 287 OG SER 35 25.495 16.497 16.745 1.00 30.21 O ATOM 288 N HIS 36 25.013 12.347 18.240 1.00 25.46 N ATOM 289 CA HIS 36 24.534 10.971 18.219 1.00 25.07 C ATOM 290 C HIS 36 25.441 10.076 19.042 1.00 24.90 C ATOM 291 O HIS 36 26.194 9.289 18.490 1.00 25.25 O ATOM 292 CB HIS 36 24.470 10.443 16.774 1.00 23.40 C ATOM 293 CG HIS 36 23.718 11.332 15.835 1.00 21.61 C ATOM 294 ND1 HIS 36 22.358 11.266 15.627 1.00 22.67 N ATOM 295 CD2 HIS 36 24.160 12.339 15.040 1.00 23.65 C ATOM 296 CE1 HIS 36 22.026 12.208 14.740 1.00 17.49 C ATOM 297 NE2 HIS 36 23.084 12.890 14.349 1.00 22.98 N ATOM 298 N PRO 37 25.290 10.107 20.377 1.00 25.00 N ATOM 299 CA PRO 37 26.053 9.339 21.363 1.00 24.52 C ATOM 300 C PRO 37 26.122 7.836 21.124 1.00 24.44 C ATOM 301 O PRO 37 27.090 7.183 21.514 1.00 24.78 O ATOM 302 CB PRO 37 25.321 9.652 22.666 1.00 25.11 C ATOM 303 CG PRO 37 24.767 11.032 22.422 1.00 24.88 C ATOM 304 CD PRO 37 24.219 10.875 21.045 1.00 25.04 C ATOM 305 N GLU 38 25.106 7.280 20.478 1.00 20.50 N ATOM 306 CA GLU 38 25.099 5.847 20.204 1.00 27.23 C ATOM 307 C GLU 38 26.292 5.452 19.344 1.00 18.36 C ATOM 308 O GLU 38 26.814 4.359 19.481 1.00 31.79 O ATOM 309 CB GLU 38 23.779 5.401 19.539 1.00 20.46 C ATOM 310 CG GLU 38 23.458 6.000 18.159 1.00 21.91 C ATOM 311 CD GLU 38 22.672 7.310 18.209 1.00 38.03 C ATOM 312 OE1 GLU 38 22.775 8.087 19.180 1.00 33.84 O ATOM 313 OE2 GLU 38 21.940 7.573 17.243 1.00 40.21 O ATOM 314 N THR 39 26.760 6.365 18.497 1.00 22.46 N ATOM 315 CA THR 39 27.898 6.075 17.627 1.00 22.43 C ATOM 316 C THR 39 29.208 5.857 18.383 1.00 22.93 C ATOM 317 O THR 39 30.073 5.113 17.922 1.00 22.99 O ATOM 318 CB THR 39 28.123 7.196 16.564 1.00 22.12 C ATOM 319 OG1 THR 39 28.520 8.416 17.210 1.00 21.24 O ATOM 320 CG2 THR 39 26.868 7.424 15.751 1.00 20.86 C ATOM 321 N LEU 40 29.349 6.498 19.543 1.00 23.68 N ATOM 322 CA LEU 40 30.572 6.385 20.345 1.00 24.19 C ATOM 323 C LEU 40 30.847 4.950 20.795 1.00 24.28 C ATOM 324 O LEU 40 32.011 4.538 20.938 1.00 23.83 O ATOM 325 CB LEU 40 30.499 7.330 21.554 1.00 25.26 C ATOM 326 CG LEU 40 31.720 7.466 22.478 1.00 25.40 C ATOM 327 CD1 LEU 40 32.932 7.943 21.688 1.00 26.19 C ATOM 328 CD2 LEU 40 31.414 8.440 23.599 1.00 25.83 C ATOM 329 N GLU 41 29.770 4.184 20.962 1.00 26.00 N ATOM 330 CA GLU 41 29.857 2.786 21.382 1.00 24.55 C ATOM 331 C GLU 41 30.658 1.906 20.427 1.00 33.76 C ATOM 332 O GLU 41 31.209 0.890 20.838 1.00 35.66 O ATOM 333 CB GLU 41 28.461 2.190 21.522 1.00 33.39 C ATOM 334 CG GLU 41 27.648 2.725 22.678 1.00 55.70 C ATOM 335 CD GLU 41 26.298 2.048 22.772 1.00 67.02 C ATOM 336 OE1 GLU 41 25.420 2.340 21.930 1.00 71.20 O ATOM 337 OE2 GLU 41 26.125 1.206 23.678 1.00 75.40 O ATOM 338 N LYS 42 30.696 2.286 19.151 1.00 33.33 N ATOM 339 CA LYS 42 31.421 1.522 18.136 1.00 25.60 C ATOM 340 C LYS 42 32.934 1.611 18.273 1.00 19.95 C ATOM 341 O LYS 42 33.661 0.750 17.787 1.00 35.38 O ATOM 342 CB LYS 42 31.007 1.987 16.739 1.00 17.82 C ATOM 343 CG LYS 42 29.599 1.623 16.363 1.00 19.30 C ATOM 344 CD LYS 42 29.501 0.142 16.074 1.00 28.08 C ATOM 345 CE LYS 42 28.079 -0.270 15.763 1.00 28.38 C ATOM 346 NZ LYS 42 28.051 -1.731 15.563 1.00 36.87 N ATOM 347 N PHE 43 33.403 2.649 18.952 1.00 32.57 N ATOM 348 CA PHE 43 34.832 2.864 19.120 1.00 32.86 C ATOM 349 C PHE 43 35.357 2.428 20.479 1.00 32.97 C ATOM 350 O PHE 43 35.455 3.224 21.407 1.00 33.11 O ATOM 351 CB PHE 43 35.153 4.340 18.865 1.00 32.29 C ATOM 352 CG PHE 43 34.782 4.803 17.490 1.00 32.34 C ATOM 353 CD1 PHE 43 35.677 4.666 16.431 1.00 31.95 C ATOM 354 CD2 PHE 43 33.530 5.349 17.243 1.00 31.84 C ATOM 355 CE1 PHE 43 35.323 5.066 15.151 1.00 32.26 C ATOM 356 CE2 PHE 43 33.172 5.751 15.970 1.00 32.01 C ATOM 357 CZ PHE 43 34.071 5.609 14.920 1.00 32.21 C ATOM 358 N ASP 44 35.775 1.175 20.555 1.00 34.16 N ATOM 359 CA ASP 44 36.281 0.599 21.794 1.00 41.63 C ATOM 360 C ASP 44 37.401 1.387 22.443 1.00 43.44 C ATOM 361 O ASP 44 37.460 1.496 23.668 1.00 43.85 O ATOM 362 CB ASP 44 36.725 -0.847 21.562 1.00 49.83 C ATOM 363 CG ASP 44 35.608 -1.713 20.999 1.00 66.28 C ATOM 364 OD1 ASP 44 34.412 -1.418 21.258 1.00 59.23 O ATOM 365 OD2 ASP 44 35.929 -2.681 20.278 1.00 75.41 O ATOM 366 N ARG 45 38.255 1.984 21.623 1.00 41.73 N ATOM 367 CA ARG 45 39.378 2.737 22.144 1.00 41.45 C ATOM 368 C ARG 45 39.011 4.085 22.736 1.00 40.97 C ATOM 369 O ARG 45 39.814 4.665 23.468 1.00 41.65 O ATOM 370 CB ARG 45 40.441 2.938 21.053 1.00 43.13 C ATOM 371 CG ARG 45 41.785 2.307 21.396 1.00 53.08 C ATOM 372 CD ARG 45 42.910 2.709 20.435 1.00 64.99 C ATOM 373 NE ARG 45 42.767 2.098 19.118 1.00 80.05 N ATOM 374 CZ ARG 45 42.767 2.777 17.974 1.00 97.64 C ATOM 375 NH1 ARG 45 42.885 4.102 17.980 1.00100.00 N ATOM 376 NH2 ARG 45 42.632 2.133 16.821 1.00 91.43 N ATOM 377 N VAL 46 37.771 4.523 22.533 1.00 39.61 N ATOM 378 CA VAL 46 37.375 5.854 22.974 1.00 38.33 C ATOM 379 C VAL 46 35.954 5.971 23.580 1.00 38.11 C ATOM 380 O VAL 46 35.542 7.041 24.037 1.00 37.45 O ATOM 381 CB VAL 46 37.577 6.804 21.731 1.00 37.83 C ATOM 382 CG1 VAL 46 36.278 7.176 21.064 1.00 36.87 C ATOM 383 CG2 VAL 46 38.429 7.974 22.075 1.00 37.97 C ATOM 384 N LYS 47 35.254 4.844 23.672 1.00 29.21 N ATOM 385 CA LYS 47 33.882 4.813 24.172 1.00 23.48 C ATOM 386 C LYS 47 33.669 5.225 25.628 1.00 24.52 C ATOM 387 O LYS 47 32.547 5.503 26.027 1.00 33.62 O ATOM 388 CB LYS 47 33.280 3.426 23.946 1.00 23.59 C ATOM 389 CG LYS 47 33.623 2.411 25.019 1.00 40.22 C ATOM 390 CD LYS 47 32.863 1.109 24.831 1.00 52.55 C ATOM 391 CE LYS 47 33.774 0.036 24.272 1.00 62.41 C ATOM 392 NZ LYS 47 33.077 -1.260 24.087 1.00 74.01 N ATOM 393 N HIS 48 34.741 5.249 26.413 1.00 31.16 N ATOM 394 CA HIS 48 34.674 5.606 27.836 1.00 31.22 C ATOM 395 C HIS 48 34.701 7.112 28.107 1.00 30.83 C ATOM 396 O HIS 48 34.532 7.529 29.249 1.00 31.04 O ATOM 397 CB HIS 48 35.838 4.955 28.589 1.00 33.26 C ATOM 398 CG HIS 48 37.177 5.474 28.169 1.00 43.81 C ATOM 399 ND1 HIS 48 37.694 5.329 26.897 1.00 49.90 N ATOM 400 CD2 HIS 48 38.087 6.210 28.857 1.00 46.44 C ATOM 401 CE1 HIS 48 38.876 5.973 26.846 1.00 53.26 C ATOM 402 NE2 HIS 48 39.163 6.526 28.010 1.00 56.20 N ATOM 403 N LEU 49 35.003 7.911 27.083 1.00 30.17 N ATOM 404 CA LEU 49 35.045 9.375 27.217 1.00 29.27 C ATOM 405 C LEU 49 33.637 9.891 27.507 1.00 28.58 C ATOM 406 O LEU 49 32.695 9.606 26.782 1.00 28.38 O ATOM 407 CB LEU 49 35.611 10.026 25.952 1.00 29.06 C ATOM 408 CG LEU 49 36.958 9.519 25.428 1.00 28.57 C ATOM 409 CD1 LEU 49 37.293 10.245 24.158 1.00 28.23 C ATOM 410 CD2 LEU 49 38.053 9.730 26.445 1.00 28.89 C ATOM 411 N LYS 50 33.515 10.640 28.595 1.00 24.55 N ATOM 412 CA LYS 50 32.237 11.165 29.068 1.00 29.94 C ATOM 413 C LYS 50 31.906 12.604 28.683 1.00 23.26 C ATOM 414 O LYS 50 30.742 12.950 28.517 1.00 34.91 O ATOM 415 CB LYS 50 32.182 11.034 30.592 1.00 45.14 C ATOM 416 CG LYS 50 32.451 9.622 31.126 1.00 30.35 C ATOM 417 CD LYS 50 32.844 9.674 32.606 1.00 57.96 C ATOM 418 CE LYS 50 32.941 8.289 33.243 1.00 49.95 C ATOM 419 NZ LYS 50 31.612 7.630 33.359 1.00 51.06 N ATOM 420 N THR 51 32.924 13.448 28.564 1.00 24.12 N ATOM 421 CA THR 51 32.694 14.849 28.229 1.00 23.89 C ATOM 422 C THR 51 33.500 15.330 27.025 1.00 23.81 C ATOM 423 O THR 51 34.497 14.712 26.638 1.00 23.34 O ATOM 424 CB THR 51 33.052 15.780 29.435 1.00 24.11 C ATOM 425 OG1 THR 51 34.460 15.699 29.704 1.00 24.05 O ATOM 426 CG2 THR 51 32.269 15.384 30.695 1.00 24.04 C ATOM 427 N GLU 52 33.098 16.483 26.495 1.00 19.92 N ATOM 428 CA GLU 52 33.783 17.091 25.373 1.00 23.72 C ATOM 429 C GLU 52 35.220 17.425 25.737 1.00 23.12 C ATOM 430 O GLU 52 36.100 17.350 24.887 1.00 25.70 O ATOM 431 CB GLU 52 33.071 18.360 24.919 1.00 28.42 C ATOM 432 CG GLU 52 33.779 19.038 23.744 1.00 41.68 C ATOM 433 CD GLU 52 32.971 20.161 23.115 1.00 38.60 C ATOM 434 OE1 GLU 52 31.764 20.277 23.415 1.00 41.28 O ATOM 435 OE2 GLU 52 33.542 20.922 22.307 1.00 49.31 O ATOM 436 N ALA 53 35.454 17.798 26.997 1.00 21.99 N ATOM 437 CA ALA 53 36.800 18.129 27.454 1.00 21.32 C ATOM 438 C ALA 53 37.678 16.893 27.382 1.00 21.17 C ATOM 439 O ALA 53 38.845 16.975 27.014 1.00 20.69 O ATOM 440 CB ALA 53 36.765 18.670 28.881 1.00 22.00 C ATOM 441 N GLU 54 37.114 15.745 27.747 1.00 18.34 N ATOM 442 CA GLU 54 37.860 14.489 27.694 1.00 20.60 C ATOM 443 C GLU 54 38.137 14.149 26.245 1.00 22.25 C ATOM 444 O GLU 54 39.231 13.717 25.892 1.00 19.44 O ATOM 445 CB GLU 54 37.079 13.365 28.371 1.00 18.48 C ATOM 446 CG GLU 54 37.087 13.500 29.882 1.00 27.00 C ATOM 447 CD GLU 54 36.458 12.334 30.616 1.00 30.63 C ATOM 448 OE1 GLU 54 35.749 11.528 29.990 1.00 34.98 O ATOM 449 OE2 GLU 54 36.673 12.226 31.840 1.00 38.33 O ATOM 450 N MET 55 37.151 14.420 25.398 1.00 22.52 N ATOM 451 CA MET 55 37.272 14.165 23.970 1.00 22.24 C ATOM 452 C MET 55 38.367 15.021 23.334 1.00 22.17 C ATOM 453 O MET 55 39.210 14.508 22.593 1.00 21.68 O ATOM 454 CB MET 55 35.937 14.411 23.293 1.00 21.93 C ATOM 455 CG MET 55 34.971 13.294 23.521 1.00 22.76 C ATOM 456 SD MET 55 33.389 13.680 22.839 1.00 25.74 S ATOM 457 CE MET 55 32.348 12.662 23.891 1.00 25.19 C ATOM 458 N LYS 56 38.397 16.302 23.700 1.00 18.45 N ATOM 459 CA LYS 56 39.378 17.240 23.171 1.00 22.71 C ATOM 460 C LYS 56 40.781 16.919 23.590 1.00 23.43 C ATOM 461 O LYS 56 41.720 17.320 22.920 1.00 29.40 O ATOM 462 CB LYS 56 39.070 18.667 23.607 1.00 13.80 C ATOM 463 CG LYS 56 37.920 19.299 22.854 1.00 30.70 C ATOM 464 CD LYS 56 37.687 20.715 23.319 1.00 42.22 C ATOM 465 CE LYS 56 36.574 21.345 22.523 1.00 54.44 C ATOM 466 NZ LYS 56 36.199 22.686 23.043 1.00 94.11 N ATOM 467 N ALA 57 40.926 16.212 24.706 1.00 24.17 N ATOM 468 CA ALA 57 42.245 15.870 25.207 1.00 24.10 C ATOM 469 C ALA 57 42.712 14.501 24.759 1.00 24.17 C ATOM 470 O ALA 57 43.892 14.178 24.861 1.00 24.80 O ATOM 471 CB ALA 57 42.263 15.956 26.717 1.00 24.26 C ATOM 472 N SER 58 41.791 13.705 24.233 1.00 24.05 N ATOM 473 CA SER 58 42.106 12.360 23.794 1.00 23.68 C ATOM 474 C SER 58 43.023 12.299 22.565 1.00 24.43 C ATOM 475 O SER 58 42.718 12.859 21.509 1.00 24.53 O ATOM 476 CB SER 58 40.813 11.598 23.535 1.00 23.20 C ATOM 477 OG SER 58 41.107 10.316 23.022 1.00 23.93 O ATOM 478 N GLU 59 44.156 11.618 22.716 1.00 25.17 N ATOM 479 CA GLU 59 45.110 11.468 21.630 1.00 24.69 C ATOM 480 C GLU 59 44.585 10.444 20.637 1.00 26.92 C ATOM 481 O GLU 59 44.823 10.556 19.445 1.00 27.57 O ATOM 482 CB GLU 59 46.472 11.027 22.172 1.00 33.92 C ATOM 483 CG GLU 59 47.664 11.638 21.445 1.00 62.87 C ATOM 484 CD GLU 59 47.721 13.156 21.577 1.00 74.28 C ATOM 485 OE1 GLU 59 47.188 13.705 22.568 1.00 87.47 O ATOM 486 OE2 GLU 59 48.308 13.806 20.687 1.00 76.06 O ATOM 487 N ASP 60 43.867 9.442 21.134 1.00 22.66 N ATOM 488 CA ASP 60 43.300 8.420 20.267 1.00 22.16 C ATOM 489 C ASP 60 42.200 9.002 19.389 1.00 20.24 C ATOM 490 O ASP 60 42.070 8.629 18.222 1.00 19.35 O ATOM 491 CB ASP 60 42.712 7.267 21.079 1.00 26.97 C ATOM 492 CG ASP 60 43.761 6.267 21.538 1.00 42.59 C ATOM 493 OD1 ASP 60 44.819 6.131 20.876 1.00 46.70 O ATOM 494 OD2 ASP 60 43.504 5.602 22.563 1.00 48.78 O ATOM 495 N LEU 61 41.395 9.898 19.948 1.00 18.12 N ATOM 496 CA LEU 61 40.315 10.489 19.167 1.00 18.57 C ATOM 497 C LEU 61 40.906 11.316 18.024 1.00 18.43 C ATOM 498 O LEU 61 40.434 11.243 16.889 1.00 18.14 O ATOM 499 CB LEU 61 39.399 11.328 20.057 1.00 18.74 C ATOM 500 CG LEU 61 38.104 11.870 19.443 1.00 19.52 C ATOM 501 CD1 LEU 61 37.023 11.951 20.503 1.00 19.62 C ATOM 502 CD2 LEU 61 38.343 13.244 18.821 1.00 19.57 C ATOM 503 N LYS 62 41.992 12.027 18.313 1.00 14.10 N ATOM 504 CA LYS 62 42.651 12.861 17.310 1.00 25.17 C ATOM 505 C LYS 62 43.225 12.008 16.175 1.00 19.47 C ATOM 506 O LYS 62 43.117 12.381 15.008 1.00 20.51 O ATOM 507 CB LYS 62 43.738 13.726 17.957 1.00 36.01 C ATOM 508 CG LYS 62 44.388 14.716 17.002 1.00 30.67 C ATOM 509 CD LYS 62 45.100 15.820 17.763 1.00 57.97 C ATOM 510 CE LYS 62 46.325 15.302 18.477 1.00 60.47 C ATOM 511 NZ LYS 62 46.959 16.349 19.326 1.00 95.13 N ATOM 512 N LYS 63 43.827 10.868 16.520 1.00 15.72 N ATOM 513 CA LYS 63 44.365 9.952 15.510 1.00 17.84 C ATOM 514 C LYS 63 43.220 9.405 14.638 1.00 16.64 C ATOM 515 O LYS 63 43.347 9.344 13.420 1.00 22.11 O ATOM 516 CB LYS 63 45.139 8.796 16.161 1.00 18.47 C ATOM 517 CG LYS 63 46.337 9.278 16.971 1.00 43.82 C ATOM 518 CD LYS 63 47.565 8.412 16.751 1.00 79.73 C ATOM 519 CE LYS 63 47.522 7.129 17.559 1.00 64.33 C ATOM 520 NZ LYS 63 47.697 7.392 19.011 1.00 81.18 N ATOM 521 N HIS 64 42.102 9.040 15.260 1.00 16.01 N ATOM 522 CA HIS 64 40.944 8.537 14.530 1.00 16.67 C ATOM 523 C HIS 64 40.443 9.582 13.535 1.00 17.00 C ATOM 524 O HIS 64 40.003 9.245 12.441 1.00 16.92 O ATOM 525 CB HIS 64 39.799 8.244 15.501 1.00 18.21 C ATOM 526 CG HIS 64 40.000 7.019 16.337 1.00 30.05 C ATOM 527 ND1 HIS 64 39.083 6.654 17.294 1.00 35.15 N ATOM 528 CD2 HIS 64 40.923 6.033 16.204 1.00 34.21 C ATOM 529 CE1 HIS 64 39.458 5.462 17.709 1.00 36.97 C ATOM 530 NE2 HIS 64 40.566 5.045 17.079 1.00 38.23 N ATOM 531 N GLY 65 40.433 10.842 13.969 1.00 16.46 N ATOM 532 CA GLY 65 39.978 11.919 13.114 1.00 15.97 C ATOM 533 C GLY 65 40.872 12.059 11.892 1.00 15.92 C ATOM 534 O GLY 65 40.372 12.239 10.788 1.00 15.66 O ATOM 535 N VAL 66 42.187 11.997 12.087 1.00 15.57 N ATOM 536 CA VAL 66 43.121 12.112 10.973 1.00 15.88 C ATOM 537 C VAL 66 42.898 10.960 9.979 1.00 16.30 C ATOM 538 O VAL 66 42.860 11.178 8.771 1.00 16.82 O ATOM 539 CB VAL 66 44.599 12.114 11.473 1.00 16.69 C ATOM 540 CG1 VAL 66 45.577 11.864 10.302 1.00 15.99 C ATOM 541 CG2 VAL 66 44.929 13.452 12.140 1.00 15.60 C ATOM 542 N THR 67 42.703 9.748 10.497 1.00 16.38 N ATOM 543 CA THR 67 42.479 8.562 9.666 1.00 16.57 C ATOM 544 C THR 67 41.226 8.663 8.791 1.00 16.36 C ATOM 545 O THR 67 41.277 8.380 7.593 1.00 16.00 O ATOM 546 CB THR 67 42.405 7.293 10.545 1.00 16.87 C ATOM 547 OG1 THR 67 43.641 7.151 11.255 1.00 18.58 O ATOM 548 CG2 THR 67 42.163 6.048 9.699 1.00 16.58 C ATOM 549 N VAL 68 40.107 9.072 9.383 1.00 16.09 N ATOM 550 CA VAL 68 38.866 9.207 8.628 1.00 16.32 C ATOM 551 C VAL 68 38.986 10.263 7.531 1.00 15.35 C ATOM 552 O VAL 68 38.536 10.046 6.420 1.00 14.58 O ATOM 553 CB VAL 68 37.665 9.643 9.519 1.00 17.46 C ATOM 554 CG1 VAL 68 36.378 9.662 8.695 1.00 18.23 C ATOM 555 CG2 VAL 68 37.495 8.717 10.660 1.00 19.48 C ATOM 556 N LEU 69 39.529 11.431 7.874 1.00 14.71 N ATOM 557 CA LEU 69 39.654 12.522 6.907 1.00 14.96 C ATOM 558 C LEU 69 40.646 12.233 5.800 1.00 14.27 C ATOM 559 O LEU 69 40.445 12.656 4.669 1.00 14.38 O ATOM 560 CB LEU 69 39.998 13.850 7.581 1.00 14.82 C ATOM 561 CG LEU 69 38.924 14.450 8.497 1.00 17.52 C ATOM 562 CD1 LEU 69 39.251 15.935 8.752 1.00 16.43 C ATOM 563 CD2 LEU 69 37.543 14.324 7.863 1.00 18.33 C ATOM 564 N THR 70 41.720 11.529 6.128 1.00 13.87 N ATOM 565 CA THR 70 42.713 11.167 5.120 1.00 14.57 C ATOM 566 C THR 70 42.090 10.168 4.107 1.00 14.49 C ATOM 567 O THR 70 42.221 10.350 2.900 1.00 14.32 O ATOM 568 CB THR 70 43.987 10.568 5.784 1.00 15.27 C ATOM 569 OG1 THR 70 44.553 11.546 6.660 1.00 15.83 O ATOM 570 CG2 THR 70 45.032 10.185 4.733 1.00 15.63 C ATOM 571 N ALA 71 41.373 9.154 4.598 1.00 13.91 N ATOM 572 CA ALA 71 40.723 8.185 3.707 1.00 13.99 C ATOM 573 C ALA 71 39.624 8.870 2.885 1.00 13.64 C ATOM 574 O ALA 71 39.512 8.641 1.686 1.00 13.91 O ATOM 575 CB ALA 71 40.120 7.012 4.509 1.00 12.95 C ATOM 576 N LEU 72 38.832 9.734 3.517 1.00 13.67 N ATOM 577 CA LEU 72 37.762 10.433 2.812 1.00 13.56 C ATOM 578 C LEU 72 38.342 11.348 1.756 1.00 13.74 C ATOM 579 O LEU 72 37.851 11.380 0.633 1.00 13.66 O ATOM 580 CB LEU 72 36.866 11.226 3.772 1.00 13.74 C ATOM 581 CG LEU 72 35.719 12.004 3.093 1.00 14.92 C ATOM 582 CD1 LEU 72 34.791 11.045 2.310 1.00 15.38 C ATOM 583 CD2 LEU 72 34.929 12.829 4.128 1.00 14.89 C ATOM 584 N GLY 73 39.400 12.070 2.109 1.00 13.67 N ATOM 585 CA GLY 73 40.041 12.954 1.151 1.00 14.46 C ATOM 586 C GLY 73 40.567 12.204 -0.077 1.00 14.58 C ATOM 587 O GLY 73 40.436 12.672 -1.205 1.00 14.49 O ATOM 588 N ALA 74 41.148 11.030 0.141 1.00 14.74 N ATOM 589 CA ALA 74 41.682 10.233 -0.967 1.00 15.76 C ATOM 590 C ALA 74 40.538 9.840 -1.920 1.00 15.76 C ATOM 591 O ALA 74 40.685 9.855 -3.145 1.00 16.76 O ATOM 592 CB ALA 74 42.388 9.006 -0.424 1.00 14.49 C ATOM 593 N ILE 75 39.377 9.565 -1.346 1.00 15.77 N ATOM 594 CA ILE 75 38.201 9.198 -2.121 1.00 15.47 C ATOM 595 C ILE 75 37.675 10.400 -2.919 1.00 15.48 C ATOM 596 O ILE 75 37.423 10.285 -4.112 1.00 15.82 O ATOM 597 CB ILE 75 37.102 8.619 -1.183 1.00 15.70 C ATOM 598 CG1 ILE 75 37.531 7.225 -0.698 1.00 16.61 C ATOM 599 CG2 ILE 75 35.762 8.545 -1.889 1.00 15.10 C ATOM 600 CD1 ILE 75 36.747 6.718 0.506 1.00 18.63 C ATOM 601 N LEU 76 37.545 11.556 -2.277 1.00 15.31 N ATOM 602 CA LEU 76 37.043 12.747 -2.960 1.00 15.33 C ATOM 603 C LEU 76 37.938 13.174 -4.129 1.00 15.59 C ATOM 604 O LEU 76 37.455 13.603 -5.184 1.00 15.95 O ATOM 605 CB LEU 76 36.881 13.902 -1.967 1.00 15.64 C ATOM 606 CG LEU 76 35.798 13.730 -0.892 1.00 15.76 C ATOM 607 CD1 LEU 76 35.865 14.909 0.091 1.00 16.66 C ATOM 608 CD2 LEU 76 34.400 13.596 -1.515 1.00 15.59 C ATOM 609 N LYS 77 39.246 13.049 -3.939 1.00 10.96 N ATOM 610 CA LYS 77 40.200 13.416 -4.971 1.00 13.75 C ATOM 611 C LYS 77 40.129 12.553 -6.234 1.00 18.30 C ATOM 612 O LYS 77 40.689 12.927 -7.257 1.00 18.04 O ATOM 613 CB LYS 77 41.607 13.447 -4.396 1.00 14.38 C ATOM 614 CG LYS 77 41.799 14.594 -3.398 1.00 17.01 C ATOM 615 CD LYS 77 43.112 14.448 -2.663 1.00 16.79 C ATOM 616 CE LYS 77 43.349 15.610 -1.763 1.00 20.59 C ATOM 617 NZ LYS 77 44.698 15.538 -1.169 1.00 20.09 N ATOM 618 N LYS 78 39.450 11.406 -6.151 1.00 15.24 N ATOM 619 CA LYS 78 39.256 10.513 -7.302 1.00 18.28 C ATOM 620 C LYS 78 38.107 11.011 -8.180 1.00 18.94 C ATOM 621 O LYS 78 37.901 10.506 -9.282 1.00 19.00 O ATOM 622 CB LYS 78 38.948 9.074 -6.855 1.00 12.31 C ATOM 623 CG LYS 78 40.058 8.402 -6.058 1.00 25.64 C ATOM 624 CD LYS 78 41.390 8.455 -6.784 1.00 27.27 C ATOM 625 CE LYS 78 41.373 7.630 -8.053 1.00 32.49 C ATOM 626 NZ LYS 78 41.223 6.175 -7.763 1.00 55.16 N ATOM 627 N LYS 79 37.322 11.952 -7.656 1.00 15.11 N ATOM 628 CA LYS 79 36.200 12.535 -8.398 1.00 14.03 C ATOM 629 C LYS 79 35.218 11.516 -8.985 1.00 17.50 C ATOM 630 O LYS 79 34.814 11.616 -10.145 1.00 20.85 O ATOM 631 CB LYS 79 36.732 13.474 -9.488 1.00 12.58 C ATOM 632 CG LYS 79 37.537 14.629 -8.915 1.00 15.77 C ATOM 633 CD LYS 79 38.464 15.266 -9.921 1.00 26.30 C ATOM 634 CE LYS 79 37.734 15.964 -11.026 1.00 37.31 C ATOM 635 NZ LYS 79 38.682 16.840 -11.792 1.00 31.02 N ATOM 636 N GLY 80 34.828 10.543 -8.165 1.00 17.74 N ATOM 637 CA GLY 80 33.877 9.538 -8.600 1.00 17.93 C ATOM 638 C GLY 80 34.472 8.216 -9.068 1.00 18.43 C ATOM 639 O GLY 80 33.737 7.232 -9.162 1.00 19.23 O ATOM 640 N HIS 81 35.772 8.178 -9.369 1.00 17.70 N ATOM 641 CA HIS 81 36.424 6.948 -9.830 1.00 17.96 C ATOM 642 C HIS 81 37.072 6.331 -8.609 1.00 18.07 C ATOM 643 O HIS 81 38.284 6.169 -8.555 1.00 18.07 O ATOM 644 CB HIS 81 37.488 7.302 -10.869 1.00 17.33 C ATOM 645 CG HIS 81 36.923 7.926 -12.108 1.00 21.80 C ATOM 646 ND1 HIS 81 36.884 9.285 -12.346 1.00 29.19 N ATOM 647 CD2 HIS 81 36.331 7.349 -13.183 1.00 20.31 C ATOM 648 CE1 HIS 81 36.285 9.484 -13.529 1.00 23.50 C ATOM 649 NE2 HIS 81 35.932 8.338 -14.077 1.00 31.00 N ATOM 650 N HIS 82 36.249 5.908 -7.659 1.00 18.15 N ATOM 651 CA HIS 82 36.763 5.425 -6.381 1.00 18.12 C ATOM 652 C HIS 82 36.469 3.977 -6.004 1.00 18.26 C ATOM 653 O HIS 82 36.597 3.597 -4.836 1.00 17.89 O ATOM 654 CB HIS 82 36.205 6.348 -5.294 1.00 16.77 C ATOM 655 CG HIS 82 34.711 6.441 -5.314 1.00 15.19 C ATOM 656 ND1 HIS 82 34.007 7.614 -5.167 1.00 16.60 N ATOM 657 CD2 HIS 82 33.779 5.477 -5.529 1.00 16.77 C ATOM 658 CE1 HIS 82 32.699 7.331 -5.300 1.00 20.03 C ATOM 659 NE2 HIS 82 32.515 6.043 -5.521 1.00 21.22 N ATOM 660 N GLU 83 36.022 3.194 -6.972 1.00 19.59 N ATOM 661 CA GLU 83 35.699 1.797 -6.737 1.00 24.12 C ATOM 662 C GLU 83 36.800 1.024 -5.987 1.00 31.10 C ATOM 663 O GLU 83 36.516 0.307 -5.030 1.00 26.88 O ATOM 664 CB GLU 83 35.340 1.110 -8.066 1.00 36.52 C ATOM 665 CG GLU 83 36.267 1.451 -9.260 1.00 68.75 C ATOM 666 CD GLU 83 36.009 2.830 -9.890 1.00 69.80 C ATOM 667 OE1 GLU 83 34.877 3.359 -9.777 1.00 67.91 O ATOM 668 OE2 GLU 83 36.949 3.385 -10.503 1.00 42.41 O ATOM 669 N ALA 84 38.055 1.213 -6.380 1.00 25.65 N ATOM 670 CA ALA 84 39.162 0.519 -5.732 1.00 25.65 C ATOM 671 C ALA 84 39.333 0.911 -4.272 1.00 25.52 C ATOM 672 O ALA 84 39.651 0.067 -3.441 1.00 24.98 O ATOM 673 CB ALA 84 40.457 0.761 -6.482 1.00 25.75 C ATOM 674 N GLU 85 39.158 2.197 -3.977 1.00 23.55 N ATOM 675 CA GLU 85 39.296 2.714 -2.615 1.00 24.29 C ATOM 676 C GLU 85 38.138 2.293 -1.712 1.00 20.43 C ATOM 677 O GLU 85 38.310 2.139 -0.505 1.00 22.47 O ATOM 678 CB GLU 85 39.400 4.247 -2.620 1.00 27.01 C ATOM 679 CG GLU 85 40.721 4.830 -3.148 1.00 24.94 C ATOM 680 CD GLU 85 40.884 4.748 -4.668 1.00 36.11 C ATOM 681 OE1 GLU 85 39.887 4.578 -5.409 1.00 37.64 O ATOM 682 OE2 GLU 85 42.034 4.872 -5.131 1.00 54.23 O ATOM 683 N LEU 86 36.973 2.083 -2.310 1.00 21.53 N ATOM 684 CA LEU 86 35.787 1.702 -1.567 1.00 22.37 C ATOM 685 C LEU 86 35.717 0.249 -1.105 1.00 22.19 C ATOM 686 O LEU 86 35.101 -0.046 -0.087 1.00 22.24 O ATOM 687 CB LEU 86 34.534 2.016 -2.390 1.00 23.56 C ATOM 688 CG LEU 86 33.610 3.127 -1.892 1.00 25.46 C ATOM 689 CD1 LEU 86 34.361 4.444 -1.730 1.00 26.00 C ATOM 690 CD2 LEU 86 32.480 3.286 -2.891 1.00 26.41 C ATOM 691 N LYS 87 36.321 -0.663 -1.854 1.00 21.96 N ATOM 692 CA LYS 87 36.268 -2.081 -1.510 1.00 30.39 C ATOM 693 C LYS 87 36.767 -2.472 -0.118 1.00 23.62 C ATOM 694 O LYS 87 36.003 -3.037 0.668 1.00 20.01 O ATOM 695 CB LYS 87 36.927 -2.916 -2.610 1.00 31.09 C ATOM 696 CG LYS 87 36.128 -2.843 -3.882 1.00 42.74 C ATOM 697 CD LYS 87 36.898 -3.289 -5.102 1.00 56.03 C ATOM 698 CE LYS 87 36.889 -4.783 -5.250 1.00 45.89 C ATOM 699 NZ LYS 87 37.070 -5.172 -6.680 1.00 56.90 N ATOM 700 N PRO 88 38.035 -2.155 0.219 1.00 19.60 N ATOM 701 CA PRO 88 38.532 -2.521 1.549 1.00 19.38 C ATOM 702 C PRO 88 37.775 -1.793 2.658 1.00 19.80 C ATOM 703 O PRO 88 37.606 -2.324 3.758 1.00 19.67 O ATOM 704 CB PRO 88 39.992 -2.080 1.495 1.00 19.32 C ATOM 705 CG PRO 88 39.967 -0.918 0.532 1.00 18.97 C ATOM 706 CD PRO 88 39.085 -1.462 -0.553 1.00 19.16 C ATOM 707 N LEU 89 37.318 -0.580 2.345 1.00 19.25 N ATOM 708 CA LEU 89 36.583 0.254 3.280 1.00 19.30 C ATOM 709 C LEU 89 35.218 -0.349 3.610 1.00 18.74 C ATOM 710 O LEU 89 34.814 -0.405 4.769 1.00 17.93 O ATOM 711 CB LEU 89 36.372 1.625 2.653 1.00 21.41 C ATOM 712 CG LEU 89 36.099 2.774 3.608 1.00 23.97 C ATOM 713 CD1 LEU 89 37.351 2.949 4.488 1.00 25.15 C ATOM 714 CD2 LEU 89 35.817 4.050 2.803 1.00 25.28 C ATOM 715 N ALA 90 34.508 -0.786 2.577 1.00 17.83 N ATOM 716 CA ALA 90 33.192 -1.367 2.745 1.00 17.79 C ATOM 717 C ALA 90 33.278 -2.687 3.518 1.00 17.79 C ATOM 718 O ALA 90 32.428 -2.990 4.355 1.00 17.57 O ATOM 719 CB ALA 90 32.557 -1.585 1.375 1.00 18.05 C ATOM 720 N GLN 91 34.328 -3.459 3.250 1.00 17.80 N ATOM 721 CA GLN 91 34.500 -4.730 3.927 1.00 17.64 C ATOM 722 C GLN 91 34.746 -4.568 5.411 1.00 17.96 C ATOM 723 O GLN 91 34.133 -5.271 6.221 1.00 18.32 O ATOM 724 CB GLN 91 35.631 -5.558 3.314 1.00 17.05 C ATOM 725 CG GLN 91 35.748 -6.914 3.996 1.00 17.69 C ATOM 726 CD GLN 91 36.726 -7.845 3.320 1.00 20.82 C ATOM 727 OE1 GLN 91 37.821 -7.446 2.950 1.00 21.27 O ATOM 728 NE2 GLN 91 36.334 -9.106 3.171 1.00 14.83 N ATOM 729 N SER 92 35.650 -3.671 5.792 1.00 17.63 N ATOM 730 CA SER 92 35.897 -3.509 7.213 1.00 17.93 C ATOM 731 C SER 92 34.698 -2.906 7.964 1.00 18.26 C ATOM 732 O SER 92 34.383 -3.345 9.072 1.00 18.48 O ATOM 733 CB SER 92 37.194 -2.742 7.481 1.00 17.83 C ATOM 734 OG SER 92 37.106 -1.411 7.053 1.00 19.43 O ATOM 735 N HIS 93 33.977 -1.965 7.357 1.00 17.80 N ATOM 736 CA HIS 93 32.830 -1.391 8.053 1.00 18.32 C ATOM 737 C HIS 93 31.605 -2.282 8.092 1.00 19.08 C ATOM 738 O HIS 93 30.800 -2.170 9.008 1.00 19.46 O ATOM 739 CB HIS 93 32.471 -0.025 7.495 1.00 18.59 C ATOM 740 CG HIS 93 33.484 1.016 7.821 1.00 17.57 C ATOM 741 ND1 HIS 93 34.771 0.972 7.333 1.00 24.61 N ATOM 742 CD2 HIS 93 33.431 2.086 8.645 1.00 20.34 C ATOM 743 CE1 HIS 93 35.468 1.971 7.840 1.00 24.73 C ATOM 744 NE2 HIS 93 34.677 2.662 8.641 1.00 23.04 N ATOM 745 N ALA 94 31.466 -3.159 7.103 1.00 19.39 N ATOM 746 CA ALA 94 30.336 -4.073 7.035 1.00 20.34 C ATOM 747 C ALA 94 30.571 -5.311 7.893 1.00 21.10 C ATOM 748 O ALA 94 29.773 -5.619 8.771 1.00 21.89 O ATOM 749 CB ALA 94 30.087 -4.497 5.597 1.00 20.13 C ATOM 750 N THR 95 31.723 -5.944 7.702 1.00 21.61 N ATOM 751 CA THR 95 32.072 -7.190 8.386 1.00 22.02 C ATOM 752 C THR 95 32.761 -7.073 9.742 1.00 22.53 C ATOM 753 O THR 95 32.418 -7.798 10.669 1.00 23.24 O ATOM 754 CB THR 95 32.954 -8.061 7.466 1.00 22.32 C ATOM 755 OG1 THR 95 32.448 -7.974 6.131 1.00 21.73 O ATOM 756 CG2 THR 95 32.952 -9.541 7.916 1.00 21.45 C ATOM 757 N LYS 96 33.761 -6.211 9.859 1.00 21.64 N ATOM 758 CA LYS 96 34.454 -6.079 11.130 1.00 26.88 C ATOM 759 C LYS 96 33.743 -5.153 12.129 1.00 31.86 C ATOM 760 O LYS 96 33.320 -5.591 13.197 1.00 36.78 O ATOM 761 CB LYS 96 35.888 -5.612 10.898 1.00 28.79 C ATOM 762 CG LYS 96 36.850 -6.013 12.015 1.00 35.57 C ATOM 763 CD LYS 96 38.165 -5.271 11.876 1.00 55.25 C ATOM 764 CE LYS 96 39.330 -6.051 12.456 1.00 80.34 C ATOM 765 NZ LYS 96 39.794 -7.114 11.517 1.00 90.60 N ATOM 766 N HIS 97 33.578 -3.888 11.755 1.00 32.04 N ATOM 767 CA HIS 97 32.960 -2.882 12.619 1.00 32.23 C ATOM 768 C HIS 97 31.424 -2.860 12.656 1.00 32.70 C ATOM 769 O HIS 97 30.851 -2.412 13.653 1.00 33.29 O ATOM 770 CB HIS 97 33.467 -1.491 12.230 1.00 31.70 C ATOM 771 CG HIS 97 34.923 -1.448 11.869 1.00 33.74 C ATOM 772 ND1 HIS 97 35.924 -2.049 12.601 1.00 32.24 N ATOM 773 CD2 HIS 97 35.548 -0.834 10.830 1.00 33.36 C ATOM 774 CE1 HIS 97 37.104 -1.781 12.004 1.00 28.00 C ATOM 775 NE2 HIS 97 36.932 -1.044 10.923 1.00 33.21 N ATOM 776 N LYS 98 30.768 -3.316 11.581 1.00 30.50 N ATOM 777 CA LYS 98 29.296 -3.331 11.474 1.00 23.13 C ATOM 778 C LYS 98 28.686 -1.951 11.683 1.00 32.58 C ATOM 779 O LYS 98 27.986 -1.708 12.659 1.00 26.86 O ATOM 780 CB LYS 98 28.678 -4.327 12.447 1.00 27.87 C ATOM 781 CG LYS 98 28.118 -5.559 11.760 1.00 67.51 C ATOM 782 CD LYS 98 28.648 -6.835 12.384 1.00 60.67 C ATOM 783 CE LYS 98 30.163 -6.879 12.311 1.00 73.97 C ATOM 784 NZ LYS 98 30.711 -8.157 12.837 1.00 83.45 N ATOM 785 N ILE 99 28.905 -1.074 10.712 1.00 21.99 N ATOM 786 CA ILE 99 28.442 0.291 10.773 1.00 21.17 C ATOM 787 C ILE 99 27.270 0.460 9.842 1.00 21.88 C ATOM 788 O ILE 99 27.426 0.358 8.624 1.00 22.43 O ATOM 789 CB ILE 99 29.561 1.257 10.300 1.00 20.50 C ATOM 790 CG1 ILE 99 30.873 0.961 11.034 1.00 20.26 C ATOM 791 CG2 ILE 99 29.107 2.712 10.435 1.00 19.71 C ATOM 792 CD1 ILE 99 30.785 0.967 12.536 1.00 20.31 C ATOM 793 N PRO 100 26.078 0.743 10.391 1.00 22.07 N ATOM 794 CA PRO 100 24.920 0.922 9.510 1.00 22.57 C ATOM 795 C PRO 100 25.006 2.221 8.682 1.00 23.19 C ATOM 796 O PRO 100 25.618 3.208 9.103 1.00 22.81 O ATOM 797 CB PRO 100 23.738 0.925 10.494 1.00 22.51 C ATOM 798 CG PRO 100 24.332 1.438 11.753 1.00 22.22 C ATOM 799 CD PRO 100 25.681 0.764 11.810 1.00 21.66 C ATOM 800 N ILE 101 24.423 2.196 7.488 1.00 23.79 N ATOM 801 CA ILE 101 24.424 3.358 6.599 1.00 24.96 C ATOM 802 C ILE 101 24.008 4.622 7.337 1.00 25.16 C ATOM 803 O ILE 101 24.564 5.687 7.102 1.00 25.83 O ATOM 804 CB ILE 101 23.487 3.124 5.362 1.00 25.80 C ATOM 805 CG1 ILE 101 24.053 2.005 4.471 1.00 26.54 C ATOM 806 CG2 ILE 101 23.274 4.405 4.571 1.00 26.60 C ATOM 807 CD1 ILE 101 25.472 2.260 3.962 1.00 27.17 C ATOM 808 N LYS 102 23.025 4.490 8.222 1.00 21.86 N ATOM 809 CA LYS 102 22.502 5.598 9.034 1.00 20.48 C ATOM 810 C LYS 102 23.627 6.382 9.736 1.00 17.82 C ATOM 811 O LYS 102 23.554 7.603 9.864 1.00 18.65 O ATOM 812 CB LYS 102 21.533 5.024 10.082 1.00 26.50 C ATOM 813 CG LYS 102 20.949 6.017 11.042 1.00 49.26 C ATOM 814 CD LYS 102 19.785 6.806 10.436 1.00 72.73 C ATOM 815 CE LYS 102 18.800 7.307 11.515 1.00 95.55 C ATOM 816 NZ LYS 102 17.820 8.291 11.055 1.00 82.64 N ATOM 817 N TYR 103 24.650 5.676 10.212 1.00 16.72 N ATOM 818 CA TYR 103 25.770 6.334 10.882 1.00 16.88 C ATOM 819 C TYR 103 26.633 7.116 9.892 1.00 16.39 C ATOM 820 O TYR 103 27.285 8.086 10.272 1.00 16.20 O ATOM 821 CB TYR 103 26.632 5.325 11.640 1.00 16.57 C ATOM 822 CG TYR 103 26.030 4.762 12.921 1.00 17.87 C ATOM 823 CD1 TYR 103 24.699 4.981 13.261 1.00 18.98 C ATOM 824 CD2 TYR 103 26.801 3.979 13.772 1.00 18.35 C ATOM 825 CE1 TYR 103 24.154 4.420 14.429 1.00 20.22 C ATOM 826 CE2 TYR 103 26.278 3.418 14.922 1.00 19.76 C ATOM 827 CZ TYR 103 24.964 3.636 15.245 1.00 20.94 C ATOM 828 OH TYR 103 24.462 3.049 16.379 1.00 22.91 O ATOM 829 N LEU 104 26.675 6.663 8.637 1.00 16.33 N ATOM 830 CA LEU 104 27.444 7.353 7.598 1.00 15.99 C ATOM 831 C LEU 104 26.701 8.648 7.254 1.00 15.96 C ATOM 832 O LEU 104 27.323 9.662 6.922 1.00 15.10 O ATOM 833 CB LEU 104 27.647 6.465 6.369 1.00 16.49 C ATOM 834 CG LEU 104 28.432 5.162 6.632 1.00 17.26 C ATOM 835 CD1 LEU 104 28.544 4.350 5.344 1.00 18.13 C ATOM 836 CD2 LEU 104 29.811 5.451 7.185 1.00 16.64 C ATOM 837 N GLU 105 25.373 8.623 7.359 1.00 11.84 N ATOM 838 CA GLU 105 24.583 9.832 7.142 1.00 16.11 C ATOM 839 C GLU 105 24.880 10.814 8.294 1.00 15.21 C ATOM 840 O GLU 105 25.044 12.013 8.066 1.00 15.53 O ATOM 841 CB GLU 105 23.096 9.507 7.144 1.00 15.95 C ATOM 842 CG GLU 105 22.609 8.830 5.879 1.00 30.07 C ATOM 843 CD GLU 105 21.179 8.312 5.980 1.00 39.99 C ATOM 844 OE1 GLU 105 20.511 8.546 6.946 1.00 37.58 O ATOM 845 OE2 GLU 105 20.751 7.619 5.044 1.00 41.07 O ATOM 846 N PHE 106 24.962 10.292 9.523 1.00 15.05 N ATOM 847 CA PHE 106 25.255 11.114 10.696 1.00 15.17 C ATOM 848 C PHE 106 26.614 11.810 10.592 1.00 14.86 C ATOM 849 O PHE 106 26.725 12.979 10.954 1.00 14.34 O ATOM 850 CB PHE 106 25.234 10.287 11.985 1.00 16.09 C ATOM 851 CG PHE 106 23.864 9.765 12.376 1.00 17.81 C ATOM 852 CD1 PHE 106 22.710 10.224 11.754 1.00 18.00 C ATOM 853 CD2 PHE 106 23.739 8.826 13.396 1.00 17.99 C ATOM 854 CE1 PHE 106 21.459 9.757 12.147 1.00 18.79 C ATOM 855 CE2 PHE 106 22.487 8.360 13.790 1.00 18.31 C ATOM 856 CZ PHE 106 21.357 8.827 13.166 1.00 18.23 C ATOM 857 N ILE 107 27.648 11.092 10.149 1.00 14.34 N ATOM 858 CA ILE 107 28.968 11.707 10.027 1.00 14.48 C ATOM 859 C ILE 107 28.984 12.711 8.863 1.00 15.05 C ATOM 860 O ILE 107 29.715 13.709 8.907 1.00 15.26 O ATOM 861 CB ILE 107 30.134 10.663 9.904 1.00 14.62 C ATOM 862 CG1 ILE 107 31.483 11.353 10.220 1.00 14.37 C ATOM 863 CG2 ILE 107 30.164 10.034 8.505 1.00 13.15 C ATOM 864 CD1 ILE 107 32.676 10.403 10.336 1.00 14.25 C ATOM 865 N SER 108 28.159 12.460 7.842 1.00 15.26 N ATOM 866 CA SER 108 28.047 13.363 6.693 1.00 15.68 C ATOM 867 C SER 108 27.545 14.710 7.184 1.00 15.90 C ATOM 868 O SER 108 28.077 15.757 6.805 1.00 16.25 O ATOM 869 CB SER 108 27.082 12.802 5.652 1.00 15.50 C ATOM 870 OG SER 108 27.672 11.680 5.004 1.00 17.49 O ATOM 871 N GLU 109 26.527 14.660 8.044 1.00 17.48 N ATOM 872 CA GLU 109 25.931 15.835 8.659 1.00 19.02 C ATOM 873 C GLU 109 26.971 16.580 9.497 1.00 9.86 C ATOM 874 O GLU 109 27.023 17.810 9.482 1.00 10.23 O ATOM 875 CB GLU 109 24.769 15.399 9.554 1.00 17.30 C ATOM 876 CG GLU 109 24.105 16.524 10.329 1.00 35.11 C ATOM 877 CD GLU 109 23.070 16.017 11.339 1.00 74.83 C ATOM 878 OE1 GLU 109 23.176 14.858 11.820 1.00 60.11 O ATOM 879 OE2 GLU 109 22.145 16.795 11.664 1.00 88.99 O ATOM 880 N ALA 110 27.790 15.836 10.231 1.00 11.06 N ATOM 881 CA ALA 110 28.823 16.443 11.075 1.00 12.23 C ATOM 882 C ALA 110 29.872 17.166 10.216 1.00 12.35 C ATOM 883 O ALA 110 30.348 18.255 10.580 1.00 13.15 O ATOM 884 CB ALA 110 29.494 15.379 11.961 1.00 11.22 C ATOM 885 N ILE 111 30.210 16.571 9.071 1.00 11.96 N ATOM 886 CA ILE 111 31.192 17.159 8.161 1.00 12.38 C ATOM 887 C ILE 111 30.672 18.484 7.591 1.00 12.69 C ATOM 888 O ILE 111 31.343 19.516 7.658 1.00 12.48 O ATOM 889 CB ILE 111 31.555 16.179 7.013 1.00 12.70 C ATOM 890 CG1 ILE 111 32.413 15.038 7.574 1.00 12.53 C ATOM 891 CG2 ILE 111 32.315 16.930 5.885 1.00 11.83 C ATOM 892 CD1 ILE 111 32.451 13.805 6.706 1.00 13.30 C ATOM 893 N ILE 112 29.443 18.457 7.105 1.00 13.31 N ATOM 894 CA ILE 112 28.832 19.645 6.544 1.00 14.91 C ATOM 895 C ILE 112 28.716 20.761 7.590 1.00 15.30 C ATOM 896 O ILE 112 28.997 21.930 7.286 1.00 15.30 O ATOM 897 CB ILE 112 27.467 19.295 5.938 1.00 15.57 C ATOM 898 CG1 ILE 112 27.686 18.453 4.680 1.00 15.70 C ATOM 899 CG2 ILE 112 26.644 20.576 5.645 1.00 16.14 C ATOM 900 CD1 ILE 112 26.396 17.872 4.128 1.00 18.03 C ATOM 901 N HIS 113 28.366 20.386 8.825 1.00 14.97 N ATOM 902 CA HIS 113 28.230 21.342 9.908 1.00 15.13 C ATOM 903 C HIS 113 29.552 22.034 10.221 1.00 15.44 C ATOM 904 O HIS 113 29.598 23.249 10.435 1.00 15.64 O ATOM 905 CB HIS 113 27.730 20.650 11.178 1.00 17.79 C ATOM 906 CG HIS 113 27.597 21.579 12.347 1.00 23.44 C ATOM 907 ND1 HIS 113 26.452 22.286 12.641 1.00 29.78 N ATOM 908 CD2 HIS 113 28.524 21.990 13.250 1.00 24.06 C ATOM 909 CE1 HIS 113 26.719 23.099 13.675 1.00 24.39 C ATOM 910 NE2 HIS 113 27.966 22.954 14.080 1.00 29.30 N ATOM 911 N VAL 114 30.618 21.250 10.294 1.00 14.94 N ATOM 912 CA VAL 114 31.931 21.791 10.611 1.00 14.73 C ATOM 913 C VAL 114 32.499 22.683 9.505 1.00 14.66 C ATOM 914 O VAL 114 33.068 23.740 9.813 1.00 14.94 O ATOM 915 CB VAL 114 32.920 20.662 10.987 1.00 14.48 C ATOM 916 CG1 VAL 114 34.340 21.219 11.164 1.00 13.11 C ATOM 917 CG2 VAL 114 32.440 19.999 12.268 1.00 13.96 C ATOM 918 N LEU 115 32.338 22.280 8.237 1.00 13.94 N ATOM 919 CA LEU 115 32.835 23.092 7.122 1.00 13.91 C ATOM 920 C LEU 115 32.080 24.408 7.094 1.00 14.23 C ATOM 921 O LEU 115 32.648 25.463 6.832 1.00 13.51 O ATOM 922 CB LEU 115 32.666 22.375 5.781 1.00 14.09 C ATOM 923 CG LEU 115 33.424 21.045 5.668 1.00 15.85 C ATOM 924 CD1 LEU 115 33.409 20.552 4.236 1.00 16.60 C ATOM 925 CD2 LEU 115 34.834 21.202 6.155 1.00 15.79 C ATOM 926 N HIS 116 30.786 24.333 7.380 1.00 14.42 N ATOM 927 CA HIS 116 29.968 25.515 7.403 1.00 15.44 C ATOM 928 C HIS 116 30.475 26.489 8.469 1.00 16.15 C ATOM 929 O HIS 116 30.602 27.680 8.191 1.00 16.39 O ATOM 930 CB HIS 116 28.511 25.146 7.646 1.00 15.97 C ATOM 931 CG HIS 116 27.603 26.331 7.736 1.00 23.94 C ATOM 932 ND1 HIS 116 27.213 27.089 6.653 1.00 27.64 N ATOM 933 CD2 HIS 116 27.027 26.913 8.821 1.00 20.22 C ATOM 934 CE1 HIS 116 26.432 28.083 7.102 1.00 23.91 C ATOM 935 NE2 HIS 116 26.290 28.016 8.411 1.00 30.41 N ATOM 936 N SER 117 30.831 25.980 9.651 1.00 16.25 N ATOM 937 CA SER 117 31.319 26.838 10.732 1.00 17.46 C ATOM 938 C SER 117 32.694 27.451 10.476 1.00 16.93 C ATOM 939 O SER 117 32.892 28.658 10.634 1.00 16.79 O ATOM 940 CB SER 117 31.411 26.060 12.046 1.00 17.33 C ATOM 941 OG SER 117 30.143 25.595 12.424 1.00 23.22 O ATOM 942 N ARG 118 33.642 26.604 10.099 1.00 16.00 N ATOM 943 CA ARG 118 35.002 27.048 9.883 1.00 16.09 C ATOM 944 C ARG 118 35.311 27.709 8.563 1.00 16.42 C ATOM 945 O ARG 118 36.267 28.465 8.477 1.00 16.85 O ATOM 946 CB ARG 118 35.956 25.877 10.095 1.00 16.31 C ATOM 947 CG ARG 118 35.923 25.326 11.507 1.00 17.66 C ATOM 948 CD ARG 118 36.833 24.121 11.658 1.00 18.91 C ATOM 949 NE ARG 118 38.232 24.485 11.507 1.00 23.08 N ATOM 950 CZ ARG 118 39.221 23.958 12.218 1.00 28.58 C ATOM 951 NH1 ARG 118 38.969 23.042 13.139 1.00 19.83 N ATOM 952 NH2 ARG 118 40.465 24.345 11.995 1.00 22.14 N ATOM 953 N HIS 119 34.513 27.438 7.535 1.00 16.21 N ATOM 954 CA HIS 119 34.776 27.995 6.215 1.00 16.52 C ATOM 955 C HIS 119 33.570 28.657 5.558 1.00 16.96 C ATOM 956 O HIS 119 33.264 28.372 4.401 1.00 16.55 O ATOM 957 CB HIS 119 35.322 26.881 5.307 1.00 15.35 C ATOM 958 CG HIS 119 36.503 26.173 5.887 1.00 16.81 C ATOM 959 ND1 HIS 119 37.754 26.740 6.014 1.00 17.07 N ATOM 960 CD2 HIS 119 36.596 24.945 6.456 1.00 12.45 C ATOM 961 CE1 HIS 119 38.553 25.864 6.649 1.00 15.79 C ATOM 962 NE2 HIS 119 37.906 24.754 6.940 1.00 14.56 N ATOM 963 N PRO 120 32.924 29.613 6.253 1.00 17.60 N ATOM 964 CA PRO 120 31.752 30.293 5.690 1.00 18.44 C ATOM 965 C PRO 120 31.994 30.906 4.305 1.00 18.89 C ATOM 966 O PRO 120 31.163 30.775 3.420 1.00 19.93 O ATOM 967 CB PRO 120 31.416 31.353 6.755 1.00 18.40 C ATOM 968 CG PRO 120 32.734 31.641 7.386 1.00 18.17 C ATOM 969 CD PRO 120 33.343 30.256 7.512 1.00 17.55 C ATOM 970 N GLY 121 33.168 31.490 4.101 1.00 19.23 N ATOM 971 CA GLY 121 33.482 32.098 2.826 1.00 19.49 C ATOM 972 C GLY 121 33.638 31.118 1.674 1.00 19.88 C ATOM 973 O GLY 121 33.383 31.492 0.531 1.00 21.13 O ATOM 974 N ASN 122 34.066 29.885 1.947 1.00 18.33 N ATOM 975 CA ASN 122 34.224 28.896 0.881 1.00 17.56 C ATOM 976 C ASN 122 33.145 27.830 0.958 1.00 17.40 C ATOM 977 O ASN 122 33.271 26.768 0.330 1.00 18.22 O ATOM 978 CB ASN 122 35.603 28.215 0.956 1.00 16.47 C ATOM 979 CG ASN 122 36.744 29.175 0.651 1.00 23.94 C ATOM 980 OD1 ASN 122 37.668 29.352 1.452 1.00 21.42 O ATOM 981 ND2 ASN 122 36.674 29.812 -0.504 1.00 17.36 N ATOM 982 N PHE 123 32.082 28.095 1.714 1.00 16.20 N ATOM 983 CA PHE 123 31.031 27.091 1.861 1.00 15.22 C ATOM 984 C PHE 123 29.638 27.707 1.810 1.00 15.07 C ATOM 985 O PHE 123 28.854 27.581 2.755 1.00 14.90 O ATOM 986 CB PHE 123 31.233 26.291 3.167 1.00 14.16 C ATOM 987 CG PHE 123 30.680 24.889 3.137 1.00 13.87 C ATOM 988 CD1 PHE 123 31.217 23.933 2.294 1.00 13.81 C ATOM 989 CD2 PHE 123 29.654 24.508 4.002 1.00 13.82 C ATOM 990 CE1 PHE 123 30.736 22.601 2.319 1.00 14.46 C ATOM 991 CE2 PHE 123 29.175 23.194 4.037 1.00 13.98 C ATOM 992 CZ PHE 123 29.714 22.240 3.198 1.00 14.00 C ATOM 993 N GLY 124 29.374 28.424 0.723 1.00 14.89 N ATOM 994 CA GLY 124 28.066 29.008 0.499 1.00 14.52 C ATOM 995 C GLY 124 27.131 27.883 0.064 1.00 14.67 C ATOM 996 O GLY 124 27.517 26.713 0.061 1.00 13.74 O ATOM 997 N ALA 125 25.924 28.240 -0.357 1.00 14.54 N ATOM 998 CA ALA 125 24.917 27.259 -0.746 1.00 14.94 C ATOM 999 C ALA 125 25.330 26.324 -1.882 1.00 15.13 C ATOM 1000 O ALA 125 25.058 25.124 -1.837 1.00 15.68 O ATOM 1001 CB ALA 125 23.600 27.970 -1.090 1.00 14.69 C ATOM 1002 N ASP 126 25.955 26.880 -2.913 1.00 13.43 N ATOM 1003 CA ASP 126 26.388 26.088 -4.051 1.00 10.99 C ATOM 1004 C ASP 126 27.429 25.070 -3.619 1.00 14.91 C ATOM 1005 O ASP 126 27.315 23.908 -3.964 1.00 15.09 O ATOM 1006 CB ASP 126 26.948 26.989 -5.153 1.00 21.24 C ATOM 1007 CG ASP 126 25.867 27.804 -5.856 1.00 26.37 C ATOM 1008 OD1 ASP 126 24.685 27.408 -5.820 1.00 25.47 O ATOM 1009 OD2 ASP 126 26.209 28.840 -6.458 1.00 35.73 O ATOM 1010 N ALA 127 28.446 25.508 -2.875 1.00 13.00 N ATOM 1011 CA ALA 127 29.495 24.603 -2.377 1.00 13.19 C ATOM 1012 C ALA 127 28.926 23.532 -1.425 1.00 13.50 C ATOM 1013 O ALA 127 29.358 22.381 -1.455 1.00 14.17 O ATOM 1014 CB ALA 127 30.631 25.403 -1.677 1.00 12.59 C ATOM 1015 N GLN 128 27.973 23.902 -0.575 1.00 12.96 N ATOM 1016 CA GLN 128 27.375 22.922 0.329 1.00 13.45 C ATOM 1017 C GLN 128 26.566 21.885 -0.482 1.00 13.71 C ATOM 1018 O GLN 128 26.579 20.692 -0.161 1.00 14.19 O ATOM 1019 CB GLN 128 26.479 23.596 1.390 1.00 13.18 C ATOM 1020 CG GLN 128 25.765 22.583 2.295 1.00 15.46 C ATOM 1021 CD GLN 128 25.069 23.195 3.504 1.00 17.66 C ATOM 1022 OE1 GLN 128 25.372 24.311 3.925 1.00 19.04 O ATOM 1023 NE2 GLN 128 24.140 22.445 4.081 1.00 16.30 N ATOM 1024 N GLY 129 25.861 22.348 -1.516 1.00 13.17 N ATOM 1025 CA GLY 129 25.088 21.443 -2.354 1.00 13.25 C ATOM 1026 C GLY 129 26.014 20.439 -3.043 1.00 13.29 C ATOM 1027 O GLY 129 25.688 19.247 -3.146 1.00 13.24 O ATOM 1028 N ALA 130 27.172 20.913 -3.501 1.00 12.37 N ATOM 1029 CA ALA 130 28.145 20.044 -4.156 1.00 13.20 C ATOM 1030 C ALA 130 28.715 19.001 -3.176 1.00 13.32 C ATOM 1031 O ALA 130 28.837 17.822 -3.517 1.00 13.58 O ATOM 1032 CB ALA 130 29.268 20.869 -4.757 1.00 12.82 C ATOM 1033 N MET 131 29.046 19.439 -1.963 1.00 13.52 N ATOM 1034 CA MET 131 29.592 18.553 -0.926 1.00 14.15 C ATOM 1035 C MET 131 28.563 17.476 -0.540 1.00 13.73 C ATOM 1036 O MET 131 28.891 16.292 -0.427 1.00 12.90 O ATOM 1037 CB MET 131 30.018 19.379 0.312 1.00 14.76 C ATOM 1038 CG MET 131 30.675 18.564 1.445 1.00 15.74 C ATOM 1039 SD MET 131 32.201 17.676 0.927 1.00 18.67 S ATOM 1040 CE MET 131 33.349 18.957 1.034 1.00 16.91 C ATOM 1041 N ASN 132 27.317 17.899 -0.341 1.00 13.80 N ATOM 1042 CA ASN 132 26.253 16.967 -0.011 1.00 14.77 C ATOM 1043 C ASN 132 26.109 15.913 -1.129 1.00 15.12 C ATOM 1044 O ASN 132 25.927 14.725 -0.860 1.00 15.96 O ATOM 1045 CB ASN 132 24.925 17.699 0.156 1.00 13.92 C ATOM 1046 CG ASN 132 23.770 16.739 0.357 1.00 16.64 C ATOM 1047 OD1 ASN 132 23.803 15.923 1.265 1.00 17.59 O ATOM 1048 ND2 ASN 132 22.777 16.796 -0.521 1.00 18.26 N ATOM 1049 N LYS 133 26.201 16.364 -2.377 1.00 17.32 N ATOM 1050 CA LYS 133 26.084 15.489 -3.538 1.00 14.82 C ATOM 1051 C LYS 133 27.246 14.480 -3.574 1.00 17.90 C ATOM 1052 O LYS 133 27.050 13.289 -3.860 1.00 13.48 O ATOM 1053 CB LYS 133 26.057 16.345 -4.803 1.00 19.71 C ATOM 1054 CG LYS 133 25.420 15.682 -5.984 1.00 28.22 C ATOM 1055 CD LYS 133 25.308 16.625 -7.163 1.00 27.62 C ATOM 1056 CE LYS 133 24.914 15.859 -8.413 1.00 52.97 C ATOM 1057 NZ LYS 133 24.905 16.725 -9.614 1.00 74.53 N ATOM 1058 N ALA 134 28.442 14.950 -3.229 1.00 12.87 N ATOM 1059 CA ALA 134 29.630 14.091 -3.218 1.00 13.47 C ATOM 1060 C ALA 134 29.534 13.030 -2.115 1.00 13.87 C ATOM 1061 O ALA 134 29.860 11.859 -2.339 1.00 14.49 O ATOM 1062 CB ALA 134 30.910 14.939 -3.056 1.00 12.22 C ATOM 1063 N LEU 135 29.034 13.434 -0.946 1.00 13.82 N ATOM 1064 CA LEU 135 28.879 12.522 0.189 1.00 13.98 C ATOM 1065 C LEU 135 27.727 11.537 -0.044 1.00 14.11 C ATOM 1066 O LEU 135 27.775 10.407 0.425 1.00 14.20 O ATOM 1067 CB LEU 135 28.695 13.310 1.496 1.00 13.75 C ATOM 1068 CG LEU 135 29.929 14.062 2.025 1.00 14.13 C ATOM 1069 CD1 LEU 135 29.580 14.870 3.284 1.00 13.81 C ATOM 1070 CD2 LEU 135 31.034 13.075 2.339 1.00 13.90 C ATOM 1071 N GLU 136 26.679 11.973 -0.744 1.00 13.49 N ATOM 1072 CA GLU 136 25.573 11.074 -1.066 1.00 16.04 C ATOM 1073 C GLU 136 26.067 9.999 -2.047 1.00 14.96 C ATOM 1074 O GLU 136 25.653 8.831 -1.963 1.00 16.34 O ATOM 1075 CB GLU 136 24.414 11.828 -1.707 1.00 12.46 C ATOM 1076 CG GLU 136 23.703 12.789 -0.789 1.00 44.80 C ATOM 1077 CD GLU 136 22.473 13.394 -1.432 1.00 52.55 C ATOM 1078 OE1 GLU 136 22.235 13.142 -2.637 1.00 48.81 O ATOM 1079 OE2 GLU 136 21.740 14.118 -0.728 1.00 56.19 O ATOM 1080 N LEU 137 26.900 10.421 -3.008 1.00 15.12 N ATOM 1081 CA LEU 137 27.482 9.515 -4.002 1.00 15.96 C ATOM 1082 C LEU 137 28.283 8.449 -3.238 1.00 15.89 C ATOM 1083 O LEU 137 28.123 7.250 -3.486 1.00 15.91 O ATOM 1084 CB LEU 137 28.393 10.273 -4.992 1.00 16.54 C ATOM 1085 CG LEU 137 29.149 9.382 -5.990 1.00 17.78 C ATOM 1086 CD1 LEU 137 28.184 8.728 -6.969 1.00 19.20 C ATOM 1087 CD2 LEU 137 30.192 10.163 -6.740 1.00 18.22 C ATOM 1088 N PHE 138 29.104 8.901 -2.290 1.00 15.56 N ATOM 1089 CA PHE 138 29.901 8.016 -1.440 1.00 16.09 C ATOM 1090 C PHE 138 29.003 7.006 -0.703 1.00 15.97 C ATOM 1091 O PHE 138 29.276 5.805 -0.743 1.00 16.01 O ATOM 1092 CB PHE 138 30.706 8.854 -0.438 1.00 17.10 C ATOM 1093 CG PHE 138 31.336 8.055 0.682 1.00 18.65 C ATOM 1094 CD1 PHE 138 32.408 7.211 0.438 1.00 19.08 C ATOM 1095 CD2 PHE 138 30.851 8.152 1.981 1.00 18.98 C ATOM 1096 CE1 PHE 138 32.983 6.479 1.465 1.00 19.60 C ATOM 1097 CE2 PHE 138 31.426 7.417 3.011 1.00 19.50 C ATOM 1098 CZ PHE 138 32.496 6.579 2.748 1.00 19.07 C ATOM 1099 N ARG 139 27.936 7.487 -0.055 1.00 15.51 N ATOM 1100 CA ARG 139 27.002 6.615 0.673 1.00 16.38 C ATOM 1101 C ARG 139 26.266 5.598 -0.209 1.00 16.38 C ATOM 1102 O ARG 139 25.990 4.478 0.225 1.00 17.17 O ATOM 1103 CB ARG 139 25.967 7.431 1.468 1.00 14.71 C ATOM 1104 CG ARG 139 26.585 8.244 2.606 1.00 21.56 C ATOM 1105 CD ARG 139 25.567 8.664 3.645 1.00 14.30 C ATOM 1106 NE ARG 139 24.454 9.404 3.064 1.00 18.17 N ATOM 1107 CZ ARG 139 24.460 10.703 2.777 1.00 21.08 C ATOM 1108 NH1 ARG 139 25.530 11.459 3.004 1.00 20.58 N ATOM 1109 NH2 ARG 139 23.378 11.247 2.255 1.00 16.97 N ATOM 1110 N LYS 140 25.890 6.026 -1.411 1.00 16.09 N ATOM 1111 CA LYS 140 25.192 5.173 -2.374 1.00 20.00 C ATOM 1112 C LYS 140 26.098 4.014 -2.808 1.00 21.76 C ATOM 1113 O LYS 140 25.676 2.863 -2.836 1.00 14.42 O ATOM 1114 CB LYS 140 24.790 5.986 -3.611 1.00 27.06 C ATOM 1115 CG LYS 140 23.972 5.206 -4.634 1.00 45.99 C ATOM 1116 CD LYS 140 23.402 6.100 -5.741 1.00 79.30 C ATOM 1117 CE LYS 140 24.365 6.287 -6.920 1.00 85.35 C ATOM 1118 NZ LYS 140 25.631 6.990 -6.564 1.00 82.64 N ATOM 1119 N ASP 141 27.341 4.329 -3.160 1.00 13.76 N ATOM 1120 CA ASP 141 28.285 3.302 -3.582 1.00 14.64 C ATOM 1121 C ASP 141 28.650 2.361 -2.438 1.00 18.09 C ATOM 1122 O ASP 141 28.698 1.146 -2.626 1.00 18.83 O ATOM 1123 CB ASP 141 29.519 3.943 -4.215 1.00 17.81 C ATOM 1124 CG ASP 141 29.211 4.607 -5.550 1.00 21.65 C ATOM 1125 OD1 ASP 141 28.120 4.365 -6.097 1.00 22.33 O ATOM 1126 OD2 ASP 141 30.043 5.385 -6.048 1.00 22.08 O ATOM 1127 N ILE 142 28.849 2.907 -1.243 1.00 19.69 N ATOM 1128 CA ILE 142 29.172 2.078 -0.082 1.00 20.48 C ATOM 1129 C ILE 142 28.030 1.100 0.235 1.00 20.33 C ATOM 1130 O ILE 142 28.283 -0.080 0.528 1.00 20.05 O ATOM 1131 CB ILE 142 29.456 2.930 1.190 1.00 21.51 C ATOM 1132 CG1 ILE 142 30.911 3.387 1.209 1.00 23.16 C ATOM 1133 CG2 ILE 142 29.196 2.110 2.455 1.00 22.03 C ATOM 1134 CD1 ILE 142 31.869 2.331 1.774 1.00 24.63 C ATOM 1135 N ALA 143 26.786 1.591 0.204 1.00 19.87 N ATOM 1136 CA ALA 143 25.639 0.732 0.505 1.00 20.12 C ATOM 1137 C ALA 143 25.446 -0.353 -0.549 1.00 20.01 C ATOM 1138 O ALA 143 25.058 -1.458 -0.215 1.00 20.33 O ATOM 1139 CB ALA 143 24.379 1.531 0.717 1.00 19.82 C ATOM 1140 N ALA 144 25.776 -0.058 -1.804 1.00 19.98 N ATOM 1141 CA ALA 144 25.681 -1.066 -2.853 1.00 20.13 C ATOM 1142 C ALA 144 26.718 -2.168 -2.538 1.00 20.63 C ATOM 1143 O ALA 144 26.431 -3.366 -2.671 1.00 20.63 O ATOM 1144 CB ALA 144 25.962 -0.444 -4.200 1.00 19.92 C ATOM 1145 N LYS 145 27.908 -1.759 -2.090 1.00 14.94 N ATOM 1146 CA LYS 145 28.961 -2.703 -1.733 1.00 18.47 C ATOM 1147 C LYS 145 28.572 -3.526 -0.501 1.00 19.66 C ATOM 1148 O LYS 145 28.871 -4.722 -0.426 1.00 17.53 O ATOM 1149 CB LYS 145 30.280 -1.969 -1.501 1.00 17.80 C ATOM 1150 CG LYS 145 31.031 -1.636 -2.759 1.00 36.20 C ATOM 1151 CD LYS 145 30.080 -1.244 -3.902 1.00 73.26 C ATOM 1152 CE LYS 145 30.622 -0.117 -4.755 1.00 63.31 C ATOM 1153 NZ LYS 145 29.511 0.471 -5.560 1.00 26.86 N ATOM 1154 N TYR 146 27.903 -2.885 0.455 1.00 19.77 N ATOM 1155 CA TYR 146 27.428 -3.564 1.666 1.00 19.91 C ATOM 1156 C TYR 146 26.536 -4.755 1.286 1.00 19.89 C ATOM 1157 O TYR 146 26.667 -5.858 1.817 1.00 19.66 O ATOM 1158 CB TYR 146 26.589 -2.598 2.503 1.00 20.59 C ATOM 1159 CG TYR 146 27.328 -1.832 3.587 1.00 21.16 C ATOM 1160 CD1 TYR 146 28.716 -1.668 3.565 1.00 20.53 C ATOM 1161 CD2 TYR 146 26.618 -1.268 4.649 1.00 22.22 C ATOM 1162 CE1 TYR 146 29.372 -0.960 4.584 1.00 20.93 C ATOM 1163 CE2 TYR 146 27.263 -0.561 5.660 1.00 22.12 C ATOM 1164 CZ TYR 146 28.625 -0.411 5.625 1.00 21.42 C ATOM 1165 OH TYR 146 29.207 0.309 6.636 1.00 20.90 O ATOM 1166 N LYS 147 25.611 -4.506 0.371 1.00 19.69 N ATOM 1167 CA LYS 147 24.702 -5.535 -0.111 1.00 21.47 C ATOM 1168 C LYS 147 25.451 -6.695 -0.780 1.00 18.52 C ATOM 1169 O LYS 147 25.205 -7.858 -0.464 1.00 21.47 O ATOM 1170 CB LYS 147 23.851 -4.999 -1.248 1.00 20.52 C ATOM 1171 CG LYS 147 22.578 -5.867 -1.484 1.00 32.74 C ATOM 1172 CD LYS 147 21.612 -5.212 -2.434 1.00 64.47 C ATOM 1173 CE LYS 147 20.772 -6.289 -3.099 1.00 83.74 C ATOM 1174 NZ LYS 147 20.297 -7.337 -2.134 1.00 87.66 N ATOM 1175 N GLU 148 26.410 -6.374 -1.654 1.00 19.36 N ATOM 1176 CA GLU 148 27.194 -7.412 -2.326 1.00 21.36 C ATOM 1177 C GLU 148 27.942 -8.261 -1.300 1.00 26.24 C ATOM 1178 O GLU 148 28.101 -9.471 -1.484 1.00 21.22 O ATOM 1179 CB GLU 148 28.203 -6.801 -3.310 1.00 16.10 C ATOM 1180 CG GLU 148 27.557 -6.172 -4.525 1.00 36.64 C ATOM 1181 CD GLU 148 28.537 -5.386 -5.393 1.00 49.34 C ATOM 1182 OE1 GLU 148 29.722 -5.777 -5.460 1.00 47.38 O ATOM 1183 OE2 GLU 148 28.121 -4.372 -5.998 1.00 59.66 O ATOM 1184 N LEU 149 28.362 -7.623 -0.207 1.00 25.00 N ATOM 1185 CA LEU 149 29.106 -8.294 0.852 1.00 25.80 C ATOM 1186 C LEU 149 28.219 -9.028 1.854 1.00 26.62 C ATOM 1187 O LEU 149 28.722 -9.698 2.749 1.00 26.63 O ATOM 1188 CB LEU 149 30.013 -7.299 1.577 1.00 25.40 C ATOM 1189 CG LEU 149 31.141 -6.664 0.762 1.00 25.18 C ATOM 1190 CD1 LEU 149 31.713 -5.460 1.501 1.00 24.78 C ATOM 1191 CD2 LEU 149 32.225 -7.672 0.488 1.00 24.81 C ATOM 1192 N GLY 150 26.907 -8.890 1.717 1.00 27.83 N ATOM 1193 CA GLY 150 26.003 -9.589 2.616 1.00 30.10 C ATOM 1194 C GLY 150 25.544 -8.856 3.861 1.00 31.94 C ATOM 1195 O GLY 150 24.929 -9.453 4.737 1.00 31.56 O ATOM 1196 N TYR 151 25.821 -7.560 3.935 1.00 34.23 N ATOM 1197 CA TYR 151 25.428 -6.776 5.085 1.00 36.68 C ATOM 1198 C TYR 151 24.287 -5.834 4.754 1.00 38.75 C ATOM 1199 O TYR 151 23.153 -6.046 5.173 1.00 39.40 O ATOM 1200 CB TYR 151 26.624 -5.986 5.613 1.00 37.13 C ATOM 1201 CG TYR 151 26.319 -5.078 6.788 1.00 37.85 C ATOM 1202 CD1 TYR 151 25.674 -5.557 7.914 1.00 38.50 C ATOM 1203 CD2 TYR 151 26.670 -3.732 6.762 1.00 38.39 C ATOM 1204 CE1 TYR 151 25.377 -4.720 8.988 1.00 38.95 C ATOM 1205 CE2 TYR 151 26.380 -2.884 7.830 1.00 38.63 C ATOM 1206 CZ TYR 151 25.727 -3.385 8.936 1.00 39.03 C ATOM 1207 OH TYR 151 25.362 -2.543 9.964 1.00 39.21 O ATOM 1208 N GLN 152 24.585 -4.802 3.977 1.00 41.07 N ATOM 1209 CA GLN 152 23.594 -3.777 3.632 1.00 43.96 C ATOM 1210 C GLN 152 22.790 -3.325 4.860 1.00 45.06 C ATOM 1211 O GLN 152 21.587 -3.090 4.787 1.00 45.47 O ATOM 1212 CB GLN 152 22.653 -4.233 2.507 1.00 45.87 C ATOM 1213 CG GLN 152 21.736 -3.105 1.997 1.00 54.47 C ATOM 1214 CD GLN 152 22.377 -1.722 2.103 1.00 56.21 C ATOM 1215 OE1 GLN 152 23.513 -1.506 1.692 1.00 52.86 O ATOM 1216 NE2 GLN 152 21.644 -0.789 2.691 1.00 71.86 N ATOM 1217 N GLY 153 23.474 -3.227 5.994 1.00 45.98 N ATOM 1218 CA GLY 153 22.818 -2.798 7.211 1.00 47.07 C ATOM 1219 C GLY 153 22.695 -1.282 7.219 1.00 47.54 C ATOM 1220 O GLY 153 21.870 -0.745 7.992 1.00 48.11 O ATOM 1221 OXT GLY 153 23.431 -0.634 6.445 1.00 48.02 O TER 1222 GLY 153 HETATM 1223 FE HEM 155 35.502 4.204 9.980 1.00 18.78 FE HETATM 1224 CHA HEM 155 38.056 2.293 11.078 1.00 21.35 C HETATM 1225 CHB HEM 155 37.306 5.212 7.384 1.00 18.29 C HETATM 1226 CHC HEM 155 32.964 6.205 9.051 1.00 16.45 C HETATM 1227 CHD HEM 155 33.598 3.200 12.667 1.00 19.12 C HETATM 1228 N A HEM 155 37.312 3.780 9.325 1.00 19.73 N HETATM 1229 C1A HEM 155 38.286 2.995 9.925 1.00 21.23 C HETATM 1230 C2A HEM 155 39.557 3.037 9.214 1.00 21.38 C HETATM 1231 C3A HEM 155 39.302 3.871 8.151 1.00 20.28 C HETATM 1232 C4A HEM 155 37.919 4.323 8.239 1.00 19.51 C HETATM 1233 CMA HEM 155 40.314 4.221 7.055 1.00 18.93 C HETATM 1234 CAA HEM 155 40.877 2.216 9.299 1.00 23.71 C HETATM 1235 CBA HEM 155 41.015 0.742 8.951 1.00 26.45 C HETATM 1236 CGA HEM 155 39.678 0.033 8.861 1.00 28.72 C HETATM 1237 O1A HEM 155 39.251 -0.566 9.881 1.00 30.24 O HETATM 1238 O2A HEM 155 39.048 0.091 7.778 1.00 29.74 O HETATM 1239 N B HEM 155 35.132 5.385 8.500 1.00 17.06 N HETATM 1240 C1B HEM 155 36.020 5.716 7.478 1.00 17.24 C HETATM 1241 C2B HEM 155 35.456 6.694 6.556 1.00 16.49 C HETATM 1242 C3B HEM 155 34.224 6.980 7.014 1.00 16.26 C HETATM 1243 C4B HEM 155 34.055 6.156 8.231 1.00 16.22 C HETATM 1244 CMB HEM 155 36.090 7.246 5.263 1.00 16.42 C HETATM 1245 CAB HEM 155 33.335 8.005 6.658 1.00 16.24 C HETATM 1246 CBB HEM 155 33.491 9.122 5.794 1.00 17.32 C HETATM 1247 N C HEM 155 33.591 4.565 10.657 1.00 17.07 N HETATM 1248 C1C HEM 155 32.740 5.507 10.200 1.00 15.99 C HETATM 1249 C2C HEM 155 31.615 5.707 11.080 1.00 16.52 C HETATM 1250 C3C HEM 155 31.785 4.829 12.131 1.00 17.63 C HETATM 1251 C4C HEM 155 33.028 4.126 11.834 1.00 17.34 C HETATM 1252 CMC HEM 155 30.484 6.704 10.837 1.00 15.53 C HETATM 1253 CAC HEM 155 31.081 4.630 13.357 1.00 17.63 C HETATM 1254 CBC HEM 155 29.969 5.338 13.897 1.00 18.52 C HETATM 1255 N D HEM 155 35.728 2.887 11.451 1.00 21.03 N HETATM 1256 C1D HEM 155 34.852 2.615 12.500 1.00 21.31 C HETATM 1257 C2D HEM 155 35.466 1.757 13.490 1.00 22.47 C HETATM 1258 C3D HEM 155 36.729 1.540 13.083 1.00 23.41 C HETATM 1259 C4D HEM 155 36.872 2.243 11.803 1.00 22.48 C HETATM 1260 CMD HEM 155 34.783 1.147 14.698 1.00 22.53 C HETATM 1261 CAD HEM 155 37.941 1.000 13.841 1.00 26.65 C HETATM 1262 CBD HEM 155 38.463 1.843 15.019 1.00 30.96 C HETATM 1263 CGD HEM 155 39.586 1.145 15.786 1.00 33.23 C HETATM 1264 O1D HEM 155 39.326 0.697 16.930 1.00 35.48 O HETATM 1265 O2D HEM 155 40.714 1.027 15.245 1.00 34.38 O HETATM 1266 C NBN 156 36.437 5.629 11.224 0.68 19.01 C HETATM 1267 N NBN 156 36.674 6.332 11.970 0.68 19.66 N HETATM 1268 C1 NBN 156 37.691 6.621 13.103 0.68 19.98 C HETATM 1269 C2 NBN 156 38.602 5.446 13.328 0.68 20.27 C HETATM 1270 C3 NBN 156 39.713 5.441 12.363 0.68 20.94 C HETATM 1271 C4 NBN 156 40.675 4.358 12.790 0.68 20.98 C HETATM 1272 S SO4 157 30.746 18.706 28.896 1.00 47.98 S HETATM 1273 O1 SO4 157 30.697 20.077 28.620 1.00 48.06 O HETATM 1274 O2 SO4 157 31.104 18.021 27.725 1.00 47.52 O HETATM 1275 O3 SO4 157 29.468 18.179 29.331 1.00 47.79 O HETATM 1276 O4 SO4 157 31.722 18.578 29.881 1.00 47.85 O HETATM 1277 O HOH 201 35.636 -2.996 15.255 0.36 12.26 O HETATM 1278 O HOH 202 32.694 19.805 17.167 0.84 19.38 O HETATM 1279 O HOH 203 26.221 14.314 13.400 0.89 28.18 O HETATM 1280 O HOH 204 22.566 7.494 2.350 0.87 36.92 O HETATM 1281 O HOH 205 30.932 6.438 -8.815 1.00 41.84 O HETATM 1282 O HOH 206 24.541 30.283 6.889 0.63 25.58 O HETATM 1283 O HOH 207 25.187 14.290 2.886 0.81 26.13 O HETATM 1284 O HOH 208 22.103 13.723 1.959 0.96 26.43 O HETATM 1285 O HOH 209 30.014 8.951 35.439 1.00 35.90 O HETATM 1286 O HOH 210 30.631 11.672 35.807 0.93 21.70 O HETATM 1287 O HOH 211 31.937 13.143 -12.160 1.00 17.10 O HETATM 1288 O HOH 212 34.706 13.187 33.417 1.00 24.72 O HETATM 1289 O HOH 213 35.965 30.906 4.862 0.88 25.13 O HETATM 1290 O HOH 214 37.788 28.957 4.292 1.00 23.24 O HETATM 1291 O HOH 215 47.139 19.251 7.852 1.00 21.52 O HETATM 1292 O HOH 216 35.554 33.553 5.043 1.00 35.51 O HETATM 1293 O HOH 217 45.287 12.661 -0.522 0.63 28.06 O HETATM 1294 O HOH 218 22.243 26.519 -4.167 0.53 36.19 O HETATM 1295 O HOH 219 34.356 25.644 -2.155 0.99 18.86 O HETATM 1296 O HOH 220 43.314 5.775 14.083 0.83 33.75 O HETATM 1297 O HOH 221 35.554 15.655 -13.704 0.69 27.98 O HETATM 1298 O HOH 222 35.044 10.234 -5.370 1.00 16.54 O HETATM 1299 O HOH 223 43.738 11.098 -7.107 0.70 39.04 O HETATM 1300 O HOH 224 41.663 19.566 -2.545 0.71 29.09 O HETATM 1301 O HOH 225 29.014 28.495 -2.787 1.00 22.71 O HETATM 1302 O HOH 226 47.114 17.474 10.936 0.85 16.95 O HETATM 1303 O HOH 227 49.157 23.679 7.865 0.45 6.24 O HETATM 1304 O HOH 228 39.456 -6.272 0.390 0.45 18.39 O HETATM 1305 O HOH 229 47.195 20.062 12.092 0.79 27.14 O HETATM 1306 O HOH 230 41.694 14.434 14.419 0.64 19.99 O HETATM 1307 O HOH 231 25.279 16.763 13.167 0.91 45.56 O HETATM 1308 O HOH 232 27.502 6.144 24.003 0.34 12.97 O HETATM 1309 O HOH 233 32.714 -1.677 16.431 0.37 7.65 O HETATM 1310 O HOH 234 43.562 6.760 6.302 0.56 19.34 O HETATM 1311 O HOH 235 26.622 30.313 -3.254 0.87 35.39 O HETATM 1312 O HOH 236 43.770 12.412 1.711 0.89 19.03 O HETATM 1313 O HOH 237 39.271 -4.219 4.681 0.55 22.84 O HETATM 1314 O HOH 238 34.830 29.856 12.497 0.81 23.30 O HETATM 1315 O HOH 239 42.908 14.832 3.150 1.00 41.54 O HETATM 1316 O HOH 240 43.209 9.837 -4.230 0.92 19.85 O HETATM 1317 O HOH 241 40.614 6.101 0.818 0.34 2.00 O HETATM 1318 O HOH 242 40.042 10.664 -11.016 0.76 38.98 O HETATM 1319 O HOH 243 40.074 3.074 1.213 0.83 38.72 O HETATM 1320 O HOH 244 27.467 25.351 11.096 1.00 41.86 O HETATM 1321 O HOH 245 31.263 30.732 11.225 1.00 34.25 O HETATM 1322 O HOH 246 20.885 2.219 8.815 0.51 14.38 O HETATM 1323 O HOH 247 19.343 15.372 1.025 0.88 50.46 O HETATM 1324 O HOH 248 33.427 28.236 -3.034 1.00 44.12 O HETATM 1325 O HOH 249 27.534 -10.802 -3.746 0.42 14.53 O HETATM 1326 O HOH 250 24.801 -4.357 -4.615 0.37 9.21 O HETATM 1327 O HOH 251 26.214 23.149 -6.451 1.00 27.31 O HETATM 1328 O HOH 252 31.921 21.850 -1.051 0.56 24.04 O HETATM 1329 O HOH 253 44.385 26.738 -0.823 1.00 39.65 O HETATM 1330 O HOH 254 40.900 12.361 27.622 0.35 6.66 O HETATM 1331 O HOH 255 44.897 21.387 15.094 0.51 19.22 O HETATM 1332 O HOH 256 39.769 26.352 9.925 1.00 24.54 O HETATM 1333 O HOH 257 28.113 30.114 4.349 0.73 32.35 O HETATM 1334 O HOH 258 41.236 14.703 20.600 0.98 21.47 O HETATM 1335 O HOH 259 27.920 12.176 23.647 0.45 25.64 O HETATM 1336 O HOH 260 40.653 19.211 27.130 0.96 35.73 O HETATM 1337 O HOH 261 38.995 12.758 33.007 0.56 26.01 O HETATM 1338 O HOH 262 31.185 29.366 -1.418 0.92 29.20 O HETATM 1339 O HOH 263 23.330 1.530 -3.772 0.93 38.08 O HETATM 1340 O HOH 264 39.105 21.814 26.599 1.00 52.76 O HETATM 1341 O HOH 265 28.047 -8.320 9.038 0.26 2.83 O HETATM 1342 O HOH 266 20.727 9.658 17.232 1.00 40.20 O HETATM 1343 O HOH 267 39.824 21.447 16.984 0.48 20.91 O HETATM 1344 O HOH 268 31.109 21.510 30.969 0.78 27.35 O HETATM 1345 O HOH 269 25.247 20.689 -6.664 0.53 13.05 O HETATM 1346 O HOH 270 41.890 15.172 -7.575 0.63 23.24 O HETATM 1347 O HOH 271 32.201 10.450 -3.509 0.82 32.30 O HETATM 1348 O HOH 272 48.852 20.024 14.408 0.96 44.55 O HETATM 1349 O HOH 273 45.087 10.967 -2.827 0.80 23.86 O HETATM 1350 O HOH 274 43.790 6.366 -3.654 0.72 43.34 O HETATM 1351 O HOH 275 36.756 24.689 15.999 0.85 45.09 O HETATM 1352 O HOH 276 21.803 13.659 9.652 0.96 43.48 O HETATM 1353 O HOH 277 20.646 5.769 15.588 0.37 15.34 O HETATM 1354 O HOH 278 44.830 25.158 2.252 0.98 49.70 O HETATM 1355 O HOH 279 32.937 25.419 -9.655 0.44 16.19 O HETATM 1356 O HOH 280 28.152 27.732 -8.564 0.94 51.07 O HETATM 1357 O HOH 281 35.196 30.717 -2.699 1.00 51.54 O HETATM 1358 O HOH 282 33.436 19.536 28.293 0.81 30.59 O HETATM 1359 O HOH 283 25.107 22.125 -10.155 0.55 34.20 O HETATM 1360 O HOH 284 39.237 3.162 -8.262 1.00 34.85 O HETATM 1361 O HOH 285 31.346 32.729 13.318 0.42 18.95 O HETATM 1362 O HOH 286 36.519 -0.178 17.896 0.90 38.54 O HETATM 1363 O HOH 287 38.564 2.732 18.719 0.55 17.78 O HETATM 1364 O HOH 288 30.132 10.659 26.140 0.36 18.38 O HETATM 1365 O HOH 289 36.854 4.464 -13.579 0.81 38.38 O HETATM 1366 O HOH 290 27.373 5.340 -8.830 0.54 26.40 O HETATM 1367 O HOH 291 32.075 1.884 -6.445 0.75 37.30 O HETATM 1368 O HOH 292 40.784 -2.354 -4.023 0.29 12.31 O HETATM 1369 O HOH 293 38.692 31.184 -2.441 0.66 32.11 O HETATM 1370 O HOH 294 47.194 24.955 10.604 0.84 44.93 O HETATM 1371 O HOH 295 34.034 31.418 14.962 0.52 36.13 O HETATM 1372 O HOH 296 31.071 7.595 27.503 0.63 32.87 O HETATM 1373 O HOH 297 33.788 23.237 30.704 0.64 39.14 O HETATM 1374 O HOH 298 25.278 17.607 -12.018 0.56 32.27 O HETATM 1375 O HOH 299 21.415 7.748 -8.816 0.48 29.69 O HETATM 1376 O HOH 300 42.482 29.132 -3.537 0.48 27.61 O HETATM 1377 O HOH 301 23.188 23.847 -3.514 0.46 25.13 O HETATM 1378 O HOH 302 22.959 7.257 -2.133 0.76 43.13 O HETATM 1379 O HOH 303 23.834 15.545 5.192 0.68 34.54 O HETATM 1380 O HOH 304 39.887 -0.633 5.129 0.60 35.31 O HETATM 1381 O HOH 305 29.072 -9.111 6.284 0.69 37.84 O HETATM 1382 O HOH 306 21.916 1.326 6.785 0.72 42.32 O HETATM 1383 O HOH 307 18.377 6.767 6.900 0.66 39.04 O HETATM 1384 O HOH 308 46.391 8.895 7.898 0.50 25.35 O HETATM 1385 O HOH 309 48.010 9.126 10.162 0.60 34.14 O HETATM 1386 O HOH 310 30.229 20.017 18.925 0.66 31.75 O HETATM 1387 O HOH 311 34.675 20.639 19.217 0.54 24.69 O HETATM 1388 O HOH 312 28.518 11.760 28.729 0.28 27.00 O HETATM 1389 O HOH 313 32.254 6.469 30.644 0.40 30.36 O HETATM 1390 O HOH 314 40.742 5.881 -10.852 0.37 30.46 O HETATM 1391 O HOH 315 27.168 23.526 -8.314 0.33 28.77 O HETATM 1392 O HOH 316 28.521 -2.349 -7.024 0.32 28.33 O HETATM 1393 O HOH 317 25.803 2.353 -6.384 0.31 28.65 O HETATM 1394 O HOH 318 44.136 16.467 -6.383 0.34 29.36 O HETATM 1395 O HOH 319 42.780 18.817 -5.108 0.27 27.67 O HETATM 1396 O HOH 320 31.586 -2.955 -4.495 0.37 29.62 O HETATM 1397 O HOH 321 22.068 -0.590 -3.191 0.34 28.19 O HETATM 1398 O HOH 322 31.577 -4.125 -2.549 0.35 30.63 O HETATM 1399 O HOH 323 40.063 -4.705 -1.916 0.31 30.62 O HETATM 1400 O HOH 324 40.744 30.579 -1.276 0.42 31.10 O HETATM 1401 O HOH 325 22.633 -4.018 0.119 0.49 32.42 O HETATM 1402 O HOH 326 39.728 -6.468 2.562 0.39 28.33 O HETATM 1403 O HOH 327 23.766 17.652 5.748 0.36 30.42 O HETATM 1404 O HOH 328 23.087 12.937 6.384 0.29 26.48 O HETATM 1405 O HOH 329 22.747 -7.645 7.662 0.25 25.89 O HETATM 1406 O HOH 330 19.691 9.411 8.942 0.25 28.30 O HETATM 1407 O HOH 331 29.536 29.990 9.576 0.30 29.08 O HETATM 1408 O HOH 332 45.870 26.406 8.824 0.07 28.54 O HETATM 1409 O HOH 333 45.836 8.820 12.130 0.38 28.79 O HETATM 1410 O HOH 334 19.316 5.243 12.172 0.36 28.54 O HETATM 1411 O HOH 335 48.889 17.640 14.045 0.39 30.76 O HETATM 1412 O HOH 336 34.630 23.523 14.046 0.26 26.99 O HETATM 1413 O HOH 337 25.803 18.817 18.514 0.38 33.79 O HETATM 1414 O HOH 338 31.249 21.185 20.442 0.36 29.67 O CONECT 744 742 743 1223 CONECT 1223 744 1228 1239 1247 CONECT 1223 1255 1266 CONECT 1224 1229 1259 CONECT 1225 1232 1240 CONECT 1226 1243 1248 CONECT 1227 1251 1256 CONECT 1228 1223 1229 1232 CONECT 1229 1224 1228 1230 CONECT 1230 1229 1231 1234 CONECT 1231 1230 1232 1233 CONECT 1232 1225 1228 1231 CONECT 1233 1231 CONECT 1234 1230 1235 CONECT 1235 1234 1236 CONECT 1236 1235 1237 1238 CONECT 1237 1236 CONECT 1238 1236 CONECT 1239 1223 1240 1243 CONECT 1240 1225 1239 1241 CONECT 1241 1240 1242 1244 CONECT 1242 1241 1243 1245 CONECT 1243 1226 1239 1242 CONECT 1244 1241 CONECT 1245 1242 1246 CONECT 1246 1245 CONECT 1247 1223 1248 1251 CONECT 1248 1226 1247 1249 CONECT 1249 1248 1250 1252 CONECT 1250 1249 1251 1253 CONECT 1251 1227 1247 1250 CONECT 1252 1249 CONECT 1253 1250 1254 CONECT 1254 1253 CONECT 1255 1223 1256 1259 CONECT 1256 1227 1255 1257 CONECT 1257 1256 1258 1260 CONECT 1258 1257 1259 1261 CONECT 1259 1224 1255 1258 CONECT 1260 1257 CONECT 1261 1258 1262 CONECT 1262 1261 1263 CONECT 1263 1262 1264 1265 CONECT 1264 1263 CONECT 1265 1263 CONECT 1266 1223 1267 CONECT 1267 1266 1268 CONECT 1268 1267 1269 CONECT 1269 1268 1270 CONECT 1270 1269 1271 CONECT 1271 1270 CONECT 1272 1273 1274 1275 1276 CONECT 1273 1272 CONECT 1274 1272 CONECT 1275 1272 CONECT 1276 1272 MASTER 222 0 3 8 0 0 1 6 1413 1 56 12 END HEADER DEOXYRIBONUCLEIC ACID 15-DEC-94 102D 102D 2 COMPND DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3') 102D 3 COMPND 2 COMPLEXED WITH PROPAMIDINE 102D 4 SOURCE SYNTHETIC 102D 5 AUTHOR C.M.NUNN,S.NEIDLE 102D 6 REVDAT 1 07-FEB-95 102D 0 102D 7 JRNL AUTH C.M.NUNN,S.NEIDLE 102D 8 JRNL TITL SEQUENCE-DEPENDENT DRUG BINDING TO THE MINOR 102D 9 JRNL TITL 2 GROOVE OF DNA: THE CRYSTAL STRUCTURE OF THE DNA 102D 10 JRNL TITL 3 DODECAMER D(CGCAAATTTGCG)2 COMPLEXED WITH 102D 11 JRNL TITL 4 PROPAMIDINE 102D 12 JRNL REF TO BE PUBLISHED 102D 13 JRNL REFN 0353 102D 14 REMARK 1 102D 15 REMARK 2 102D 16 REMARK 2 RESOLUTION. 2.2 ANGSTROMS. 102D 17 REMARK 3 102D 18 REMARK 3 REFINEMENT. 102D 19 REMARK 3 PROGRAM X-PLOR 102D 20 REMARK 3 AUTHORS BRUNGER 102D 21 REMARK 3 R VALUE 0.155 102D 22 REMARK 3 RMSD BOND DISTANCES 0.022 ANGSTROMS 102D 23 REMARK 3 RMSD BOND ANGLES 4.00 DEGREES 102D 24 REMARK 3 102D 25 REMARK 3 NUMBER OF REFLECTIONS 842 102D 26 REMARK 3 RESOLUTION RANGE 8.0 - 2.20 ANGSTROMS 102D 27 REMARK 3 DATA CUTOFF 2.0 SIGMA(F) 102D 28 REMARK 3 PERCENT COMPLETION 90.8 102D 29 REMARK 3 102D 30 REMARK 3 NUMBER OF PROTEIN ATOMS 0 102D 31 REMARK 3 NUMBER OF NUCLEIC ACID ATOMS 486 102D 32 REMARK 3 NUMBER OF SOLVENT ATOMS 73 102D 33 REMARK 105 102D 34 REMARK 105 THE PROTEIN DATA BANK HAS ADOPTED THE SACCHARIDE CHEMISTS 102D 35 REMARK 105 NOMENCLATURE FOR ATOMS OF THE DEOXYRIBOSE/RIBOSE MOIETY 102D 36 REMARK 105 RATHER THAN THAT OF THE NUCLEOSIDE CHEMISTS. THE RING 102D 37 REMARK 105 OXYGEN ATOM IS LABELLED O4* INSTEAD OF O1*. 102D 38 REMARK 106 102D 39 REMARK 106 THE HYDROGEN BONDS BETWEEN BASE PAIRS IN THIS ENTRY FOLLOW 102D 40 REMARK 106 THE CONVENTIONAL WATSON-CRICK HYDROGEN BONDING PATTERN. 102D 41 REMARK 106 THEY HAVE NOT BEEN PRESENTED ON *CONECT* RECORDS IN THIS 102D 42 REMARK 106 ENTRY. 102D 43 SEQRES 1 A 12 C G C A A A T T T G C G 102D 44 SEQRES 1 B 12 C G C A A A T T T G C G 102D 45 HET TNT 25 23 PROPAMIDINE 102D 46 FORMUL 3 TNT C17 H20 N4 O2 102D 47 FORMUL 4 HOH *73(H2 O1) 102D 48 CRYST1 24.780 41.160 65.510 90.00 90.00 90.00 P 21 21 21 4 102D 49 ORIGX1 1.000000 0.000000 0.000000 0.00000 102D 50 ORIGX2 0.000000 1.000000 0.000000 0.00000 102D 51 ORIGX3 0.000000 0.000000 1.000000 0.00000 102D 52 SCALE1 0.040355 0.000000 0.000000 0.00000 102D 53 SCALE2 0.000000 0.024295 0.000000 0.00000 102D 54 SCALE3 0.000000 0.000000 0.015265 0.00000 102D 55 ATOM 1 O5* C A 1 18.445 34.684 90.776 1.00 30.19 102D 56 ATOM 2 C5* C A 1 18.939 34.713 89.428 1.00 27.48 102D 57 ATOM 3 C4* C A 1 20.086 33.755 89.286 1.00 26.24 102D 58 ATOM 4 O4* C A 1 19.617 32.539 89.905 1.00 25.39 102D 59 ATOM 5 C3* C A 1 20.434 33.382 87.819 1.00 25.73 102D 60 ATOM 6 O3* C A 1 21.831 32.949 87.719 1.00 27.53 102D 61 ATOM 7 C2* C A 1 19.488 32.196 87.629 1.00 25.04 102D 62 ATOM 8 C1* C A 1 19.521 31.485 88.974 1.00 23.43 102D 63 ATOM 9 N1 C A 1 18.313 30.732 89.375 1.00 20.98 102D 64 ATOM 10 C2 C A 1 18.488 29.453 89.907 1.00 19.06 102D 65 ATOM 11 O2 C A 1 19.588 28.922 90.079 1.00 18.36 102D 66 ATOM 12 N3 C A 1 17.394 28.756 90.259 1.00 17.81 102D 67 ATOM 13 C4 C A 1 16.190 29.278 90.099 1.00 17.67 102D 68 ATOM 14 N4 C A 1 15.153 28.546 90.456 1.00 16.84 102D 69 ATOM 15 C5 C A 1 15.982 30.585 89.565 1.00 17.71 102D 70 ATOM 16 C6 C A 1 17.075 31.279 89.212 1.00 19.32 102D 71 ATOM 17 P G A 2 22.636 32.521 86.331 1.00 28.09 102D 72 ATOM 18 O1P G A 2 21.650 32.715 85.235 1.00 29.37 102D 73 ATOM 19 O2P G A 2 23.988 33.128 86.291 1.00 26.65 102D 74 ATOM 20 O5* G A 2 22.776 30.956 86.326 1.00 25.86 102D 75 ATOM 21 C5* G A 2 23.239 30.276 87.446 1.00 22.26 102D 76 ATOM 22 C4* G A 2 23.441 28.853 87.109 1.00 20.17 102D 77 ATOM 23 O4* G A 2 22.221 28.177 87.390 1.00 18.89 102D 78 ATOM 24 C3* G A 2 23.649 28.619 85.571 1.00 19.94 102D 79 ATOM 25 O3* G A 2 24.497 27.474 85.326 1.00 20.97 102D 80 ATOM 26 C2* G A 2 22.244 28.333 85.091 1.00 18.60 102D 81 ATOM 27 C1* G A 2 21.634 27.584 86.246 1.00 17.88 102D 82 ATOM 28 N9 G A 2 20.190 27.715 86.370 1.00 15.72 102D 83 ATOM 29 C8 G A 2 19.426 28.771 86.044 1.00 15.30 102D 84 ATOM 30 N7 G A 2 18.152 28.589 86.275 1.00 15.53 102D 85 ATOM 31 C5 G A 2 18.076 27.315 86.793 1.00 13.96 102D 86 ATOM 32 C6 G A 2 16.952 26.601 87.227 1.00 12.91 102D 87 ATOM 33 O6 G A 2 15.792 26.987 87.206 1.00 11.90 102D 88 ATOM 34 N1 G A 2 17.285 25.328 87.709 1.00 12.95 102D 89 ATOM 35 C2 G A 2 18.560 24.818 87.757 1.00 12.34 102D 90 ATOM 36 N2 G A 2 18.725 23.599 88.240 1.00 10.54 102D 91 ATOM 37 N3 G A 2 19.622 25.512 87.333 1.00 13.75 102D 92 ATOM 38 C4 G A 2 19.318 26.753 86.864 1.00 14.61 102D 93 ATOM 39 P C A 3 25.039 26.933 83.906 1.00 21.82 102D 94 ATOM 40 O1P C A 3 24.554 27.812 82.828 1.00 21.57 102D 95 ATOM 41 O2P C A 3 26.503 26.649 84.021 1.00 21.65 102D 96 ATOM 42 O5* C A 3 24.232 25.558 83.811 1.00 20.59 102D 97 ATOM 43 C5* C A 3 24.582 24.572 84.701 1.00 20.67 102D 98 ATOM 44 C4* C A 3 23.738 23.337 84.770 1.00 20.70 102D 99 ATOM 45 O4* C A 3 22.381 23.651 85.090 1.00 18.94 102D 100 ATOM 46 C3* C A 3 23.658 22.748 83.424 1.00 21.83 102D 101 ATOM 47 O3* C A 3 23.916 21.344 83.459 1.00 24.82 102D 102 ATOM 48 C2* C A 3 22.296 23.136 82.953 1.00 20.85 102D 103 ATOM 49 C1* C A 3 21.431 23.234 84.160 1.00 18.05 102D 104 ATOM 50 N1 C A 3 20.335 24.218 83.915 1.00 17.98 102D 105 ATOM 51 C2 C A 3 19.036 23.957 84.285 1.00 17.17 102D 106 ATOM 52 O2 C A 3 18.673 22.971 84.886 1.00 18.66 102D 107 ATOM 53 N3 C A 3 18.070 24.834 84.011 1.00 16.33 102D 108 ATOM 54 C4 C A 3 18.311 25.990 83.405 1.00 16.82 102D 109 ATOM 55 N4 C A 3 17.272 26.850 83.181 1.00 18.46 102D 110 ATOM 56 C5 C A 3 19.644 26.304 83.011 1.00 16.65 102D 111 ATOM 57 C6 C A 3 20.605 25.405 83.286 1.00 17.51 102D 112 ATOM 58 P A A 4 24.166 20.520 82.047 1.00 26.70 102D 113 ATOM 59 O1P A A 4 24.135 21.416 80.854 1.00 26.47 102D 114 ATOM 60 O2P A A 4 25.194 19.466 82.226 1.00 26.85 102D 115 ATOM 61 O5* A A 4 22.746 19.875 82.125 1.00 25.72 102D 116 ATOM 62 C5* A A 4 22.492 19.128 83.296 1.00 23.18 102D 117 ATOM 63 C4* A A 4 21.398 18.214 83.053 1.00 22.43 102D 118 ATOM 64 O4* A A 4 20.188 18.955 82.994 1.00 21.44 102D 119 ATOM 65 C3* A A 4 21.489 17.580 81.693 1.00 21.90 102D 120 ATOM 66 O3* A A 4 20.978 16.294 82.013 1.00 23.94 102D 121 ATOM 67 C2* A A 4 20.670 18.534 80.788 1.00 20.02 102D 122 ATOM 68 C1* A A 4 19.581 19.062 81.715 1.00 18.53 102D 123 ATOM 69 N9 A A 4 19.204 20.464 81.414 1.00 14.05 102D 124 ATOM 70 C8 A A 4 19.917 21.436 80.750 1.00 14.30 102D 125 ATOM 71 N7 A A 4 19.298 22.593 80.605 1.00 12.40 102D 126 ATOM 72 C5 A A 4 18.081 22.368 81.218 1.00 10.58 102D 127 ATOM 73 C6 A A 4 16.980 23.191 81.390 1.00 10.80 102D 128 ATOM 74 N6 A A 4 16.951 24.459 80.949 1.00 11.79 102D 129 ATOM 75 N1 A A 4 15.938 22.681 82.022 1.00 9.88 102D 130 ATOM 76 C2 A A 4 16.016 21.429 82.440 1.00 9.72 102D 131 ATOM 77 N3 A A 4 16.983 20.548 82.342 1.00 10.30 102D 132 ATOM 78 C4 A A 4 18.017 21.093 81.707 1.00 12.22 102D 133 ATOM 79 P A A 5 20.648 15.223 80.926 1.00 26.13 102D 134 ATOM 80 O1P A A 5 21.087 15.708 79.563 1.00 26.43 102D 135 ATOM 81 O2P A A 5 21.071 13.909 81.429 1.00 26.39 102D 136 ATOM 82 O5* A A 5 19.064 15.343 80.965 1.00 25.62 102D 137 ATOM 83 C5* A A 5 18.271 15.076 82.119 1.00 23.72 102D 138 ATOM 84 C4* A A 5 16.762 15.307 81.904 1.00 21.00 102D 139 ATOM 85 O4* A A 5 16.465 16.659 81.536 1.00 19.33 102D 140 ATOM 86 C3* A A 5 16.299 14.489 80.710 1.00 20.63 102D 141 ATOM 87 O3* A A 5 14.945 14.255 80.989 1.00 22.90 102D 142 ATOM 88 C2* A A 5 16.494 15.422 79.523 1.00 18.14 102D 143 ATOM 89 C1* A A 5 16.014 16.684 80.157 1.00 16.32 102D 144 ATOM 90 N9 A A 5 16.491 17.909 79.535 1.00 12.85 102D 145 ATOM 91 C8 A A 5 17.688 18.186 79.010 1.00 11.61 102D 146 ATOM 92 N7 A A 5 17.782 19.390 78.544 1.00 12.11 102D 147 ATOM 93 C5 A A 5 16.537 19.954 78.779 1.00 11.87 102D 148 ATOM 94 C6 A A 5 15.999 21.224 78.506 1.00 11.86 102D 149 ATOM 95 N6 A A 5 16.715 22.179 77.895 1.00 14.18 102D 150 ATOM 96 N1 A A 5 14.737 21.477 78.867 1.00 10.76 102D 151 ATOM 97 C2 A A 5 14.065 20.489 79.467 1.00 10.55 102D 152 ATOM 98 N3 A A 5 14.459 19.268 79.771 1.00 10.74 102D 153 ATOM 99 C4 A A 5 15.733 19.055 79.392 1.00 11.90 102D 154 ATOM 100 P A A 6 14.095 13.215 80.115 1.00 24.57 102D 155 ATOM 101 O1P A A 6 14.944 12.637 79.050 1.00 24.71 102D 156 ATOM 102 O2P A A 6 13.340 12.346 81.045 1.00 25.38 102D 157 ATOM 103 O5* A A 6 13.065 14.208 79.443 1.00 24.49 102D 158 ATOM 104 C5* A A 6 12.127 14.866 80.277 1.00 21.83 102D 159 ATOM 105 C4* A A 6 11.093 15.742 79.592 1.00 19.55 102D 160 ATOM 106 O4* A A 6 11.706 16.877 78.975 1.00 18.84 102D 161 ATOM 107 C3* A A 6 10.455 15.009 78.431 1.00 19.76 102D 162 ATOM 108 O3* A A 6 9.057 15.380 78.395 1.00 20.00 102D 163 ATOM 109 C2* A A 6 11.286 15.487 77.241 1.00 17.58 102D 164 ATOM 110 C1* A A 6 11.577 16.921 77.537 1.00 16.25 102D 165 ATOM 111 N9 A A 6 12.835 17.443 76.952 1.00 14.31 102D 166 ATOM 112 C8 A A 6 14.054 16.854 76.741 1.00 13.14 102D 167 ATOM 113 N7 A A 6 14.948 17.677 76.187 1.00 11.78 102D 168 ATOM 114 C5 A A 6 14.298 18.874 76.024 1.00 10.16 102D 169 ATOM 115 C6 A A 6 14.705 20.114 75.503 1.00 9.85 102D 170 ATOM 116 N6 A A 6 15.924 20.400 75.002 1.00 9.91 102D 171 ATOM 117 N1 A A 6 13.808 21.080 75.497 1.00 8.93 102D 172 ATOM 118 C2 A A 6 12.618 20.784 75.975 1.00 11.76 102D 173 ATOM 119 N3 A A 6 12.081 19.672 76.496 1.00 13.72 102D 174 ATOM 120 C4 A A 6 13.016 18.733 76.487 1.00 12.79 102D 175 ATOM 121 P T A 7 8.097 14.824 77.271 1.00 21.05 102D 176 ATOM 122 O1P T A 7 8.696 13.588 76.731 1.00 19.99 102D 177 ATOM 123 O2P T A 7 6.709 14.840 77.788 1.00 21.58 102D 178 ATOM 124 O5* T A 7 8.189 15.980 76.152 1.00 21.05 102D 179 ATOM 125 C5* T A 7 7.430 17.139 76.305 1.00 18.81 102D 180 ATOM 126 C4* T A 7 7.583 18.219 75.273 1.00 18.47 102D 181 ATOM 127 O4* T A 7 8.958 18.681 75.102 1.00 18.49 102D 182 ATOM 128 C3* T A 7 7.295 17.547 73.952 1.00 19.28 102D 183 ATOM 129 O3* T A 7 6.719 18.343 72.979 1.00 20.19 102D 184 ATOM 130 C2* T A 7 8.644 17.283 73.384 1.00 18.70 102D 185 ATOM 131 C1* T A 7 9.370 18.521 73.741 1.00 17.25 102D 186 ATOM 132 N1 T A 7 10.832 18.366 73.420 1.00 15.88 102D 187 ATOM 133 C2 T A 7 11.489 19.495 72.929 1.00 15.94 102D 188 ATOM 134 O2 T A 7 10.994 20.609 72.764 1.00 17.35 102D 189 ATOM 135 N3 T A 7 12.805 19.350 72.589 1.00 15.54 102D 190 ATOM 136 C4 T A 7 13.538 18.182 72.696 1.00 13.85 102D 191 ATOM 137 O4 T A 7 14.730 18.215 72.422 1.00 12.14 102D 192 ATOM 138 C5 T A 7 12.797 17.069 73.204 1.00 14.91 102D 193 ATOM 139 C5M T A 7 13.515 15.712 73.368 1.00 16.70 102D 194 ATOM 140 C6 T A 7 11.497 17.185 73.550 1.00 15.29 102D 195 ATOM 141 P T A 8 5.164 18.455 72.806 1.00 21.36 102D 196 ATOM 142 O1P T A 8 4.682 17.174 72.341 1.00 21.53 102D 197 ATOM 143 O2P T A 8 4.508 19.108 73.958 1.00 22.97 102D 198 ATOM 144 O5* T A 8 5.184 19.556 71.664 1.00 22.68 102D 199 ATOM 145 C5* T A 8 6.088 20.600 71.956 1.00 21.36 102D 200 ATOM 146 C4* T A 8 6.404 21.562 70.863 1.00 22.38 102D 201 ATOM 147 O4* T A 8 7.804 21.440 70.645 1.00 22.70 102D 202 ATOM 148 C3* T A 8 5.806 21.292 69.509 1.00 22.54 102D 203 ATOM 149 O3* T A 8 5.717 22.633 69.077 1.00 25.63 102D 204 ATOM 150 C2* T A 8 6.858 20.442 68.888 1.00 21.90 102D 205 ATOM 151 C1* T A 8 8.140 21.061 69.359 1.00 20.98 102D 206 ATOM 152 N1 T A 8 9.344 20.186 69.428 1.00 20.36 102D 207 ATOM 153 C2 T A 8 10.584 20.737 69.160 1.00 19.71 102D 208 ATOM 154 O2 T A 8 10.766 21.912 68.889 1.00 22.61 102D 209 ATOM 155 N3 T A 8 11.672 19.907 69.185 1.00 19.01 102D 210 ATOM 156 C4 T A 8 11.620 18.578 69.456 1.00 18.35 102D 211 ATOM 157 O4 T A 8 12.619 17.896 69.483 1.00 18.53 102D 212 ATOM 158 C5 T A 8 10.335 18.083 69.720 1.00 18.31 102D 213 ATOM 159 C5M T A 8 10.230 16.640 70.019 1.00 18.11 102D 214 ATOM 160 C6 T A 8 9.247 18.854 69.709 1.00 19.68 102D 215 ATOM 161 P T A 9 4.976 23.336 67.816 1.00 26.00 102D 216 ATOM 162 O1P T A 9 4.114 22.349 67.181 1.00 27.71 102D 217 ATOM 163 O2P T A 9 4.452 24.656 68.243 1.00 27.31 102D 218 ATOM 164 O5* T A 9 6.259 23.553 66.899 1.00 27.25 102D 219 ATOM 165 C5* T A 9 7.016 24.632 67.356 1.00 27.16 102D 220 ATOM 166 C4* T A 9 7.996 25.095 66.383 1.00 28.59 102D 221 ATOM 167 O4* T A 9 9.094 24.167 66.240 1.00 28.66 102D 222 ATOM 168 C3* T A 9 7.344 25.088 65.061 1.00 29.30 102D 223 ATOM 169 O3* T A 9 7.784 26.310 64.529 1.00 32.15 102D 224 ATOM 170 C2* T A 9 7.825 23.781 64.445 1.00 28.48 102D 225 ATOM 171 C1* T A 9 9.223 23.565 64.978 1.00 27.10 102D 226 ATOM 172 N1 T A 9 9.655 22.173 65.232 1.00 25.83 102D 227 ATOM 173 C2 T A 9 11.024 21.882 65.206 1.00 25.77 102D 228 ATOM 174 O2 T A 9 11.907 22.700 65.007 1.00 27.04 102D 229 ATOM 175 N3 T A 9 11.424 20.581 65.428 1.00 24.82 102D 230 ATOM 176 C4 T A 9 10.562 19.551 65.682 1.00 25.62 102D 231 ATOM 177 O4 T A 9 11.011 18.434 65.867 1.00 26.54 102D 232 ATOM 178 C5 T A 9 9.156 19.894 65.700 1.00 25.80 102D 233 ATOM 179 C5M T A 9 8.154 18.783 65.972 1.00 24.85 102D 234 ATOM 180 C6 T A 9 8.748 21.172 65.484 1.00 26.06 102D 235 ATOM 181 P G A 10 7.255 26.786 63.113 1.00 33.95 102D 236 ATOM 182 O1P G A 10 6.285 25.792 62.567 1.00 33.23 102D 237 ATOM 183 O2P G A 10 6.913 28.224 63.206 1.00 33.59 102D 238 ATOM 184 O5* G A 10 8.586 26.605 62.251 1.00 33.22 102D 239 ATOM 185 C5* G A 10 9.870 27.130 62.570 1.00 31.16 102D 240 ATOM 186 C4* G A 10 10.964 26.560 61.648 1.00 30.70 102D 241 ATOM 187 O4* G A 10 11.284 25.157 61.904 1.00 29.59 102D 242 ATOM 188 C3* G A 10 10.438 26.532 60.195 1.00 31.29 102D 243 ATOM 189 O3* G A 10 11.612 26.632 59.426 1.00 34.38 102D 244 ATOM 190 C2* G A 10 9.860 25.104 60.099 1.00 29.10 102D 245 ATOM 191 C1* G A 10 10.942 24.318 60.820 1.00 26.67 102D 246 ATOM 192 N9 G A 10 10.481 22.976 61.249 1.00 24.58 102D 247 ATOM 193 C8 G A 10 9.202 22.522 61.457 1.00 23.19 102D 248 ATOM 194 N7 G A 10 9.107 21.269 61.799 1.00 21.90 102D 249 ATOM 195 C5 G A 10 10.419 20.851 61.823 1.00 22.13 102D 250 ATOM 196 C6 G A 10 10.928 19.583 62.135 1.00 21.21 102D 251 ATOM 197 O6 G A 10 10.278 18.603 62.463 1.00 21.82 102D 252 ATOM 198 N1 G A 10 12.321 19.527 62.056 1.00 21.06 102D 253 ATOM 199 C2 G A 10 13.124 20.586 61.711 1.00 19.81 102D 254 ATOM 200 N2 G A 10 14.420 20.383 61.665 1.00 18.42 102D 255 ATOM 201 N3 G A 10 12.655 21.805 61.414 1.00 21.63 102D 256 ATOM 202 C4 G A 10 11.283 21.873 61.489 1.00 23.26 102D 257 ATOM 203 P C A 11 12.047 27.481 58.174 1.00 36.74 102D 258 ATOM 204 O1P C A 11 11.191 27.140 57.008 1.00 36.68 102D 259 ATOM 205 O2P C A 11 12.356 28.870 58.607 1.00 35.81 102D 260 ATOM 206 O5* C A 11 13.358 26.652 57.978 1.00 35.84 102D 261 ATOM 207 C5* C A 11 14.300 26.805 59.021 1.00 34.17 102D 262 ATOM 208 C4* C A 11 15.414 25.820 58.944 1.00 32.93 102D 263 ATOM 209 O4* C A 11 14.958 24.463 59.212 1.00 31.59 102D 264 ATOM 210 C3* C A 11 15.925 25.798 57.508 1.00 32.52 102D 265 ATOM 211 O3* C A 11 17.323 25.616 57.665 1.00 34.31 102D 266 ATOM 212 C2* C A 11 15.156 24.638 56.857 1.00 30.59 102D 267 ATOM 213 C1* C A 11 15.009 23.644 58.008 1.00 28.84 102D 268 ATOM 214 N1 C A 11 13.764 22.830 57.948 1.00 25.46 102D 269 ATOM 215 C2 C A 11 13.877 21.496 58.253 1.00 23.72 102D 270 ATOM 216 O2 C A 11 14.961 21.008 58.542 1.00 22.19 102D 271 ATOM 217 N3 C A 11 12.767 20.712 58.209 1.00 22.85 102D 272 ATOM 218 C4 C A 11 11.558 21.197 57.866 1.00 23.71 102D 273 ATOM 219 N4 C A 11 10.494 20.368 57.838 1.00 21.98 102D 274 ATOM 220 C5 C A 11 11.423 22.598 57.540 1.00 24.28 102D 275 ATOM 221 C6 C A 11 12.547 23.363 57.596 1.00 25.43 102D 276 ATOM 222 P G A 12 18.304 25.780 56.453 1.00 36.29 102D 277 ATOM 223 O1P G A 12 17.558 26.490 55.355 1.00 36.50 102D 278 ATOM 224 O2P G A 12 19.637 26.243 56.936 1.00 35.19 102D 279 ATOM 225 O5* G A 12 18.471 24.254 55.941 1.00 34.43 102D 280 ATOM 226 C5* G A 12 19.244 23.282 56.612 1.00 31.75 102D 281 ATOM 227 C4* G A 12 19.368 21.890 55.939 1.00 30.04 102D 282 ATOM 228 O4* G A 12 18.186 21.055 55.903 1.00 28.25 102D 283 ATOM 229 C3* G A 12 19.698 22.164 54.461 1.00 29.19 102D 284 ATOM 230 O3* G A 12 20.509 21.090 53.993 1.00 30.24 102D 285 ATOM 231 C2* G A 12 18.343 22.155 53.834 1.00 27.07 102D 286 ATOM 232 C1* G A 12 17.757 20.969 54.565 1.00 26.40 102D 287 ATOM 233 N9 G A 12 16.322 20.926 54.522 1.00 24.63 102D 288 ATOM 234 C8 G A 12 15.544 21.973 54.218 1.00 23.98 102D 289 ATOM 235 N7 G A 12 14.287 21.714 54.275 1.00 24.08 102D 290 ATOM 236 C5 G A 12 14.214 20.367 54.623 1.00 23.55 102D 291 ATOM 237 C6 G A 12 13.055 19.566 54.804 1.00 23.07 102D 292 ATOM 238 O6 G A 12 11.883 19.919 54.676 1.00 23.91 102D 293 ATOM 239 N1 G A 12 13.383 18.286 55.153 1.00 21.93 102D 294 ATOM 240 C2 G A 12 14.659 17.826 55.320 1.00 21.49 102D 295 ATOM 241 N2 G A 12 14.765 16.564 55.658 1.00 22.20 102D 296 ATOM 242 N3 G A 12 15.767 18.553 55.158 1.00 22.22 102D 297 ATOM 243 C4 G A 12 15.468 19.845 54.797 1.00 23.93 102D 298 TER 244 G A 12 102D 299 ATOM 245 O5* C B 13 8.113 9.702 55.580 1.00 35.82 102D 300 ATOM 246 C5* C B 13 8.729 10.914 55.149 1.00 33.22 102D 301 ATOM 247 C4* C B 13 10.031 11.066 55.894 1.00 32.22 102D 302 ATOM 248 O4* C B 13 10.691 12.260 55.547 1.00 31.84 102D 303 ATOM 249 C3* C B 13 9.761 11.209 57.358 1.00 32.30 102D 304 ATOM 250 O3* C B 13 10.972 10.920 57.939 1.00 32.94 102D 305 ATOM 251 C2* C B 13 9.503 12.666 57.514 1.00 31.89 102D 306 ATOM 252 C1* C B 13 10.614 13.190 56.624 1.00 31.18 102D 307 ATOM 253 N1 C B 13 10.352 14.534 56.077 1.00 30.16 102D 308 ATOM 254 C2 C B 13 11.400 15.362 55.929 1.00 28.81 102D 309 ATOM 255 O2 C B 13 12.506 14.973 56.239 1.00 28.07 102D 310 ATOM 256 N3 C B 13 11.190 16.593 55.417 1.00 28.92 102D 311 ATOM 257 C4 C B 13 9.968 16.991 55.068 1.00 29.63 102D 312 ATOM 258 N4 C B 13 9.724 18.189 54.576 1.00 30.30 102D 313 ATOM 259 C5 C B 13 8.861 16.139 55.214 1.00 30.41 102D 314 ATOM 260 C6 C B 13 9.104 14.922 55.729 1.00 31.02 102D 315 ATOM 261 P G B 14 11.124 9.801 59.038 1.00 34.38 102D 316 ATOM 262 O1P G B 14 10.392 10.204 60.287 1.00 33.04 102D 317 ATOM 263 O2P G B 14 10.916 8.482 58.378 1.00 34.06 102D 318 ATOM 264 O5* G B 14 12.650 9.997 59.283 1.00 31.92 102D 319 ATOM 265 C5* G B 14 13.565 10.025 58.223 1.00 28.53 102D 320 ATOM 266 C4* G B 14 14.779 10.804 58.613 1.00 26.66 102D 321 ATOM 267 O4* G B 14 14.563 12.169 58.294 1.00 25.87 102D 322 ATOM 268 C3* G B 14 14.960 10.804 60.093 1.00 25.76 102D 323 ATOM 269 O3* G B 14 16.304 10.814 60.437 1.00 26.59 102D 324 ATOM 270 C2* G B 14 14.317 12.052 60.522 1.00 25.85 102D 325 ATOM 271 C1* G B 14 14.556 13.036 59.407 1.00 25.73 102D 326 ATOM 272 N9 G B 14 13.445 14.046 59.422 1.00 25.31 102D 327 ATOM 273 C8 G B 14 12.133 13.803 59.666 1.00 24.39 102D 328 ATOM 274 N7 G B 14 11.386 14.861 59.667 1.00 24.87 102D 329 ATOM 275 C5 G B 14 12.250 15.900 59.404 1.00 24.09 102D 330 ATOM 276 C6 G B 14 11.958 17.281 59.287 1.00 23.90 102D 331 ATOM 277 O6 G B 14 10.857 17.861 59.369 1.00 24.06 102D 332 ATOM 278 N1 G B 14 13.104 17.988 59.019 1.00 23.08 102D 333 ATOM 279 C2 G B 14 14.353 17.464 58.881 1.00 21.87 102D 334 ATOM 280 N2 G B 14 15.329 18.324 58.618 1.00 20.02 102D 335 ATOM 281 N3 G B 14 14.630 16.162 58.989 1.00 23.25 102D 336 ATOM 282 C4 G B 14 13.523 15.430 59.251 1.00 24.34 102D 337 ATOM 283 P C B 15 16.884 10.596 61.947 1.00 27.88 102D 338 ATOM 284 O1P C B 15 15.828 10.231 62.943 1.00 27.26 102D 339 ATOM 285 O2P C B 15 18.097 9.744 61.823 1.00 28.01 102D 340 ATOM 286 O5* C B 15 17.368 12.093 62.284 1.00 26.37 102D 341 ATOM 287 C5* C B 15 18.347 12.597 61.403 1.00 22.94 102D 342 ATOM 288 C4* C B 15 18.663 14.049 61.544 1.00 21.60 102D 343 ATOM 289 O4* C B 15 17.496 14.860 61.308 1.00 19.12 102D 344 ATOM 290 C3* C B 15 18.989 14.302 62.972 1.00 22.61 102D 345 ATOM 291 O3* C B 15 20.068 15.211 63.143 1.00 23.95 102D 346 ATOM 292 C2* C B 15 17.696 14.891 63.504 1.00 22.40 102D 347 ATOM 293 C1* C B 15 17.116 15.665 62.392 1.00 19.61 102D 348 ATOM 294 N1 C B 15 15.671 15.743 62.553 1.00 18.69 102D 349 ATOM 295 C2 C B 15 15.069 16.981 62.446 1.00 18.91 102D 350 ATOM 296 O2 C B 15 15.698 17.999 62.185 1.00 19.29 102D 351 ATOM 297 N3 C B 15 13.722 17.077 62.619 1.00 18.32 102D 352 ATOM 298 C4 C B 15 12.990 16.008 62.878 1.00 18.15 102D 353 ATOM 299 N4 C B 15 11.664 16.172 63.030 1.00 20.02 102D 354 ATOM 300 C5 C B 15 13.586 14.733 62.987 1.00 17.56 102D 355 ATOM 301 C6 C B 15 14.923 14.650 62.817 1.00 18.72 102D 356 ATOM 302 P A B 16 20.884 15.094 64.539 1.00 23.08 102D 357 ATOM 303 O1P A B 16 20.015 14.494 65.556 1.00 22.20 102D 358 ATOM 304 O2P A B 16 22.268 14.629 64.305 1.00 22.19 102D 359 ATOM 305 O5* A B 16 20.954 16.607 64.853 1.00 22.27 102D 360 ATOM 306 C5* A B 16 21.587 17.333 63.814 1.00 21.86 102D 361 ATOM 307 C4* A B 16 21.200 18.768 63.881 1.00 21.20 102D 362 ATOM 308 O4* A B 16 19.799 18.865 63.924 1.00 20.18 102D 363 ATOM 309 C3* A B 16 21.637 19.399 65.165 1.00 22.16 102D 364 ATOM 310 O3* A B 16 21.811 20.765 64.798 1.00 24.10 102D 365 ATOM 311 C2* A B 16 20.473 19.116 66.102 1.00 20.42 102D 366 ATOM 312 C1* A B 16 19.315 19.293 65.181 1.00 18.13 102D 367 ATOM 313 N9 A B 16 18.060 18.545 65.504 1.00 15.55 102D 368 ATOM 314 C8 A B 16 17.884 17.301 66.041 1.00 14.45 102D 369 ATOM 315 N7 A B 16 16.650 16.950 66.213 1.00 14.16 102D 370 ATOM 316 C5 A B 16 15.942 18.078 65.737 1.00 13.96 102D 371 ATOM 317 C6 A B 16 14.577 18.391 65.618 1.00 13.33 102D 372 ATOM 318 N6 A B 16 13.638 17.521 65.991 1.00 15.25 102D 373 ATOM 319 N1 A B 16 14.207 19.586 65.104 1.00 13.44 102D 374 ATOM 320 C2 A B 16 15.133 20.431 64.715 1.00 12.61 102D 375 ATOM 321 N3 A B 16 16.418 20.228 64.787 1.00 14.16 102D 376 ATOM 322 C4 A B 16 16.790 19.036 65.307 1.00 14.24 102D 377 ATOM 323 P A B 17 22.536 21.764 65.806 1.00 26.17 102D 378 ATOM 324 O1P A B 17 22.962 20.963 66.972 1.00 24.51 102D 379 ATOM 325 O2P A B 17 23.512 22.611 65.070 1.00 26.42 102D 380 ATOM 326 O5* A B 17 21.281 22.709 66.122 1.00 24.51 102D 381 ATOM 327 C5* A B 17 20.808 23.414 64.983 1.00 24.28 102D 382 ATOM 328 C4* A B 17 19.569 24.223 65.182 1.00 23.54 102D 383 ATOM 329 O4* A B 17 18.408 23.473 65.533 1.00 21.73 102D 384 ATOM 330 C3* A B 17 19.841 25.050 66.325 1.00 25.47 102D 385 ATOM 331 O3* A B 17 19.179 26.276 65.971 1.00 27.65 102D 386 ATOM 332 C2* A B 17 19.261 24.169 67.481 1.00 24.02 102D 387 ATOM 333 C1* A B 17 18.036 23.551 66.883 1.00 20.93 102D 388 ATOM 334 N9 A B 17 17.739 22.241 67.526 1.00 17.69 102D 389 ATOM 335 C8 A B 17 18.491 21.225 68.031 1.00 16.77 102D 390 ATOM 336 N7 A B 17 17.814 20.232 68.551 1.00 16.38 102D 391 ATOM 337 C5 A B 17 16.507 20.639 68.371 1.00 16.19 102D 392 ATOM 338 C6 A B 17 15.277 20.061 68.699 1.00 16.92 102D 393 ATOM 339 N6 A B 17 15.120 18.876 69.286 1.00 17.04 102D 394 ATOM 340 N1 A B 17 14.198 20.742 68.379 1.00 17.48 102D 395 ATOM 341 C2 A B 17 14.331 21.912 67.776 1.00 18.24 102D 396 ATOM 342 N3 A B 17 15.419 22.569 67.408 1.00 17.34 102D 397 ATOM 343 C4 A B 17 16.480 21.848 67.751 1.00 16.96 102D 398 ATOM 344 P A B 18 19.548 27.558 66.847 1.00 27.43 102D 399 ATOM 345 O1P A B 18 20.700 27.166 67.730 1.00 27.57 102D 400 ATOM 346 O2P A B 18 19.594 28.763 65.986 1.00 27.46 102D 401 ATOM 347 O5* A B 18 18.174 27.610 67.685 1.00 27.18 102D 402 ATOM 348 C5* A B 18 16.970 27.669 66.913 1.00 24.51 102D 403 ATOM 349 C4* A B 18 15.645 27.667 67.656 1.00 23.00 102D 404 ATOM 350 O4* A B 18 15.323 26.356 68.164 1.00 19.15 102D 405 ATOM 351 C3* A B 18 15.766 28.562 68.908 1.00 23.07 102D 406 ATOM 352 O3* A B 18 14.504 29.192 69.119 1.00 27.40 102D 407 ATOM 353 C2* A B 18 16.082 27.521 69.948 1.00 20.17 102D 408 ATOM 354 C1* A B 18 15.257 26.332 69.561 1.00 16.91 102D 409 ATOM 355 N9 A B 18 15.804 25.078 70.115 1.00 13.15 102D 410 ATOM 356 C8 A B 18 17.112 24.713 70.275 1.00 11.98 102D 411 ATOM 357 N7 A B 18 17.261 23.542 70.832 1.00 10.52 102D 412 ATOM 358 C5 A B 18 15.964 23.095 71.054 1.00 8.83 102D 413 ATOM 359 C6 A B 18 15.468 21.922 71.606 1.00 8.14 102D 414 ATOM 360 N6 A B 18 16.238 20.925 72.058 1.00 5.53 102D 415 ATOM 361 N1 A B 18 14.136 21.796 71.676 1.00 8.26 102D 416 ATOM 362 C2 A B 18 13.374 22.785 71.225 1.00 8.89 102D 417 ATOM 363 N3 A B 18 13.715 23.944 70.676 1.00 10.47 102D 418 ATOM 364 C4 A B 18 15.066 24.026 70.621 1.00 10.31 102D 419 ATOM 365 P T B 19 14.187 30.242 70.272 1.00 30.37 102D 420 ATOM 366 O1P T B 19 15.470 30.758 70.865 1.00 30.51 102D 421 ATOM 367 O2P T B 19 13.167 31.173 69.754 1.00 30.86 102D 422 ATOM 368 O5* T B 19 13.486 29.336 71.352 1.00 29.29 102D 423 ATOM 369 C5* T B 19 12.199 28.988 70.957 1.00 26.72 102D 424 ATOM 370 C4* T B 19 11.517 28.051 71.880 1.00 25.61 102D 425 ATOM 371 O4* T B 19 12.269 26.827 72.062 1.00 24.71 102D 426 ATOM 372 C3* T B 19 11.502 28.753 73.230 1.00 24.90 102D 427 ATOM 373 O3* T B 19 10.334 28.366 73.888 1.00 24.87 102D 428 ATOM 374 C2* T B 19 12.719 28.143 73.866 1.00 24.53 102D 429 ATOM 375 C1* T B 19 12.591 26.730 73.414 1.00 22.98 102D 430 ATOM 376 N1 T B 19 13.793 25.887 73.728 1.00 22.02 102D 431 ATOM 377 C2 T B 19 13.461 24.656 74.217 1.00 21.73 102D 432 ATOM 378 O2 T B 19 12.293 24.284 74.326 1.00 24.31 102D 433 ATOM 379 N3 T B 19 14.477 23.806 74.584 1.00 21.19 102D 434 ATOM 380 C4 T B 19 15.810 24.057 74.520 1.00 20.11 102D 435 ATOM 381 O4 T B 19 16.592 23.165 74.882 1.00 18.44 102D 436 ATOM 382 C5 T B 19 16.095 25.376 73.999 1.00 20.03 102D 437 ATOM 383 C5M T B 19 17.537 25.818 73.875 1.00 19.36 102D 438 ATOM 384 C6 T B 19 15.112 26.237 73.619 1.00 20.49 102D 439 ATOM 385 P T B 20 9.440 29.358 74.798 1.00 27.15 102D 440 ATOM 386 O1P T B 20 10.304 30.153 75.716 1.00 27.31 102D 441 ATOM 387 O2P T B 20 8.383 30.036 74.009 1.00 26.56 102D 442 ATOM 388 O5* T B 20 8.655 28.215 75.613 1.00 25.46 102D 443 ATOM 389 C5* T B 20 9.083 26.882 75.496 1.00 24.77 102D 444 ATOM 390 C4* T B 20 8.401 25.973 76.396 1.00 24.24 102D 445 ATOM 391 O4* T B 20 9.364 24.946 76.643 1.00 23.36 102D 446 ATOM 392 C3* T B 20 8.064 26.565 77.708 1.00 25.43 102D 447 ATOM 393 O3* T B 20 6.997 25.772 78.202 1.00 28.56 102D 448 ATOM 394 C2* T B 20 9.357 26.381 78.435 1.00 23.32 102D 449 ATOM 395 C1* T B 20 9.880 25.079 77.922 1.00 21.64 102D 450 ATOM 396 N1 T B 20 11.312 25.071 77.832 1.00 19.54 102D 451 ATOM 397 C2 T B 20 11.908 23.886 78.112 1.00 19.00 102D 452 ATOM 398 O2 T B 20 11.276 22.863 78.389 1.00 20.00 102D 453 ATOM 399 N3 T B 20 13.282 23.881 78.048 1.00 19.74 102D 454 ATOM 400 C4 T B 20 14.094 24.961 77.721 1.00 20.02 102D 455 ATOM 401 O4 T B 20 15.316 24.872 77.674 1.00 21.76 102D 456 ATOM 402 C5 T B 20 13.383 26.150 77.441 1.00 19.91 102D 457 ATOM 403 C5M T B 20 14.194 27.358 77.067 1.00 18.06 102D 458 ATOM 404 C6 T B 20 12.032 26.178 77.497 1.00 19.78 102D 459 ATOM 405 P T B 21 6.392 26.105 79.640 1.00 30.66 102D 460 ATOM 406 O1P T B 21 6.849 27.454 80.056 1.00 30.64 102D 461 ATOM 407 O2P T B 21 4.941 25.772 79.595 1.00 31.17 102D 462 ATOM 408 O5* T B 21 7.142 25.041 80.558 1.00 29.41 102D 463 ATOM 409 C5* T B 21 6.755 23.706 80.363 1.00 27.17 102D 464 ATOM 410 C4* T B 21 7.484 22.690 81.181 1.00 26.06 102D 465 ATOM 411 O4* T B 21 8.937 22.758 80.962 1.00 25.37 102D 466 ATOM 412 C3* T B 21 7.329 23.107 82.642 1.00 26.09 102D 467 ATOM 413 O3* T B 21 7.096 21.928 83.428 1.00 27.49 102D 468 ATOM 414 C2* T B 21 8.638 23.815 82.963 1.00 24.58 102D 469 ATOM 415 C1* T B 21 9.650 23.031 82.168 1.00 22.43 102D 470 ATOM 416 N1 T B 21 10.903 23.759 81.861 1.00 19.48 102D 471 ATOM 417 C2 T B 21 12.128 23.117 81.951 1.00 18.91 102D 472 ATOM 418 O2 T B 21 12.278 21.942 82.240 1.00 19.90 102D 473 ATOM 419 N3 T B 21 13.276 23.826 81.675 1.00 18.30 102D 474 ATOM 420 C4 T B 21 13.318 25.127 81.319 1.00 18.26 102D 475 ATOM 421 O4 T B 21 14.394 25.654 81.083 1.00 19.26 102D 476 ATOM 422 C5 T B 21 12.027 25.743 81.244 1.00 19.14 102D 477 ATOM 423 C5M T B 21 11.951 27.227 80.872 1.00 18.19 102D 478 ATOM 424 C6 T B 21 10.877 25.051 81.514 1.00 19.70 102D 479 ATOM 425 P G B 22 6.330 22.137 84.813 1.00 28.12 102D 480 ATOM 426 O1P G B 22 6.146 23.599 85.030 1.00 27.93 102D 481 ATOM 427 O2P G B 22 5.181 21.214 84.860 1.00 28.97 102D 482 ATOM 428 O5* G B 22 7.321 21.678 85.953 1.00 27.10 102D 483 ATOM 429 C5* G B 22 8.135 20.517 85.822 1.00 25.18 102D 484 ATOM 430 C4* G B 22 9.451 20.492 86.679 1.00 23.63 102D 485 ATOM 431 O4* G B 22 10.542 21.275 86.118 1.00 21.72 102D 486 ATOM 432 C3* G B 22 9.202 21.229 88.025 1.00 22.74 102D 487 ATOM 433 O3* G B 22 10.057 20.527 88.868 1.00 25.35 102D 488 ATOM 434 C2* G B 22 9.680 22.663 87.768 1.00 20.23 102D 489 ATOM 435 C1* G B 22 10.931 22.298 86.991 1.00 19.04 102D 490 ATOM 436 N9 G B 22 11.599 23.439 86.297 1.00 16.80 102D 491 ATOM 437 C8 G B 22 11.042 24.656 86.003 1.00 16.60 102D 492 ATOM 438 N7 G B 22 11.872 25.505 85.438 1.00 16.79 102D 493 ATOM 439 C5 G B 22 13.079 24.813 85.341 1.00 14.47 102D 494 ATOM 440 C6 G B 22 14.328 25.251 84.816 1.00 14.49 102D 495 ATOM 441 O6 G B 22 14.627 26.341 84.302 1.00 15.42 102D 496 ATOM 442 N1 G B 22 15.306 24.267 84.907 1.00 13.33 102D 497 ATOM 443 C2 G B 22 15.097 23.049 85.429 1.00 13.03 102D 498 ATOM 444 N2 G B 22 16.127 22.257 85.426 1.00 12.61 102D 499 ATOM 445 N3 G B 22 13.927 22.630 85.924 1.00 14.80 102D 500 ATOM 446 C4 G B 22 12.939 23.554 85.857 1.00 14.73 102D 501 ATOM 447 P C B 23 9.621 19.443 89.933 1.00 28.00 102D 502 ATOM 448 O1P C B 23 9.036 20.208 91.043 1.00 26.77 102D 503 ATOM 449 O2P C B 23 8.933 18.285 89.271 1.00 27.77 102D 504 ATOM 450 O5* C B 23 11.007 18.925 90.455 1.00 28.05 102D 505 ATOM 451 C5* C B 23 11.835 18.290 89.457 1.00 27.96 102D 506 ATOM 452 C4* C B 23 13.329 18.295 89.786 1.00 27.60 102D 507 ATOM 453 O4* C B 23 14.004 19.351 89.054 1.00 25.62 102D 508 ATOM 454 C3* C B 23 13.486 18.636 91.287 1.00 28.20 102D 509 ATOM 455 O3* C B 23 14.640 18.053 91.903 1.00 31.44 102D 510 ATOM 456 C2* C B 23 13.677 20.094 91.208 1.00 25.85 102D 511 ATOM 457 C1* C B 23 14.527 20.304 89.933 1.00 23.89 102D 512 ATOM 458 N1 C B 23 14.385 21.735 89.559 1.00 21.53 102D 513 ATOM 459 C2 C B 23 15.470 22.497 89.182 1.00 19.79 102D 514 ATOM 460 O2 C B 23 16.598 22.037 89.060 1.00 17.52 102D 515 ATOM 461 N3 C B 23 15.253 23.808 88.925 1.00 18.31 102D 516 ATOM 462 C4 C B 23 14.035 24.361 89.024 1.00 19.44 102D 517 ATOM 463 N4 C B 23 13.779 25.643 88.780 1.00 20.36 102D 518 ATOM 464 C5 C B 23 12.930 23.607 89.397 1.00 20.27 102D 519 ATOM 465 C6 C B 23 13.155 22.306 89.647 1.00 22.03 102D 520 ATOM 466 P G B 24 14.749 17.875 93.567 1.00 34.55 102D 521 ATOM 467 O1P G B 24 13.656 18.594 94.303 1.00 33.79 102D 522 ATOM 468 O2P G B 24 14.977 16.444 93.910 1.00 34.86 102D 523 ATOM 469 O5* G B 24 16.137 18.712 93.798 1.00 32.66 102D 524 ATOM 470 C5* G B 24 17.232 18.098 93.128 1.00 30.27 102D 525 ATOM 471 C4* G B 24 18.503 18.880 92.867 1.00 28.89 102D 526 ATOM 472 O4* G B 24 18.359 20.121 92.084 1.00 27.26 102D 527 ATOM 473 C3* G B 24 18.909 19.310 94.223 1.00 27.87 102D 528 ATOM 474 O3* G B 24 20.308 19.219 94.517 1.00 29.27 102D 529 ATOM 475 C2* G B 24 18.486 20.743 94.309 1.00 27.00 102D 530 ATOM 476 C1* G B 24 18.608 21.302 92.918 1.00 25.73 102D 531 ATOM 477 N9 G B 24 17.568 22.356 92.779 1.00 23.40 102D 532 ATOM 478 C8 G B 24 16.254 22.253 93.107 1.00 21.98 102D 533 ATOM 479 N7 G B 24 15.576 23.330 92.873 1.00 22.07 102D 534 ATOM 480 C5 G B 24 16.500 24.219 92.350 1.00 21.10 102D 535 ATOM 481 C6 G B 24 16.319 25.536 91.906 1.00 21.66 102D 536 ATOM 482 O6 G B 24 15.262 26.167 91.921 1.00 24.00 102D 537 ATOM 483 N1 G B 24 17.486 26.130 91.424 1.00 20.62 102D 538 ATOM 484 C2 G B 24 18.702 25.497 91.380 1.00 21.08 102D 539 ATOM 485 N2 G B 24 19.772 26.189 90.911 1.00 21.21 102D 540 ATOM 486 N3 G B 24 18.853 24.227 91.808 1.00 21.21 102D 541 ATOM 487 C4 G B 24 17.723 23.648 92.281 1.00 21.75 102D 542 TER 488 G B 24 102D 543 HETATM 489 C1 TNT 25 10.781 26.217 68.705 1.00 34.53 102D 544 HETATM 490 C2 TNT 25 11.798 25.261 68.487 1.00 34.77 102D 545 HETATM 491 C3 TNT 25 12.558 25.333 67.322 1.00 35.10 102D 546 HETATM 492 C4 TNT 25 12.327 26.313 66.344 1.00 35.63 102D 547 HETATM 493 C5 TNT 25 11.317 27.268 66.576 1.00 34.92 102D 548 HETATM 494 C6 TNT 25 10.564 27.211 67.747 1.00 35.01 102D 549 HETATM 495 C7 TNT 25 13.017 26.277 65.101 1.00 37.48 102D 550 HETATM 496 N1 TNT 25 13.731 25.190 64.715 1.00 37.59 102D 551 HETATM 497 N2 TNT 25 12.897 27.336 64.263 1.00 38.74 102D 552 HETATM 498 C1' TNT 25 7.760 23.098 74.471 1.00 31.77 102D 553 HETATM 499 C2' TNT 25 6.587 22.781 75.210 1.00 31.94 102D 554 HETATM 500 C3' TNT 25 6.636 22.017 76.395 1.00 32.80 102D 555 HETATM 501 C4' TNT 25 7.943 21.550 76.821 1.00 33.51 102D 556 HETATM 502 C5' TNT 25 9.062 21.855 76.068 1.00 33.37 102D 557 HETATM 503 C6' TNT 25 8.997 22.609 74.929 1.00 32.52 102D 558 HETATM 504 C7' TNT 25 8.182 20.782 77.981 1.00 34.35 102D 559 HETATM 505 N1' TNT 25 9.366 20.869 78.623 1.00 33.97 102D 560 HETATM 506 N2' TNT 25 7.137 20.056 78.489 1.00 33.75 102D 561 HETATM 507 CA TNT 25 9.886 24.945 70.484 1.00 33.59 102D 562 HETATM 508 O1 TNT 25 9.931 26.184 69.760 1.00 34.36 102D 563 HETATM 509 CB TNT 25 8.720 25.013 71.467 1.00 33.52 102D 564 HETATM 510 CA' TNT 25 8.958 24.070 72.636 1.00 32.74 102D 565 HETATM 511 O1' TNT 25 7.691 23.867 73.326 1.00 32.48 102D 566 HETATM 512 O HOH 26 20.792 22.549 51.338 1.00 24.72 102D 567 HETATM 513 O HOH 27 22.015 24.465 79.586 1.00 48.42 102D 568 HETATM 514 O HOH 28 25.008 20.424 62.058 1.00 44.01 102D 569 HETATM 515 O HOH 29 21.676 25.630 58.632 1.00 24.50 102D 570 HETATM 516 O HOH 30 16.921 24.847 62.982 1.00 29.83 102D 571 HETATM 517 O HOH 31 10.405 15.732 66.552 1.00 33.08 102D 572 HETATM 518 O HOH 32 22.857 16.783 94.831 1.00 41.80 102D 573 HETATM 519 O HOH 33 19.641 9.136 59.526 1.00 33.30 102D 574 HETATM 520 O HOH 34 26.135 32.131 84.504 1.00 33.93 102D 575 HETATM 521 O HOH 35 6.301 24.450 59.698 1.00 31.09 102D 576 HETATM 522 O HOH 36 9.855 19.535 80.952 1.00 38.89 102D 577 HETATM 523 O HOH 37 12.066 13.542 70.397 1.00 32.33 102D 578 HETATM 524 O HOH 38 13.608 15.383 69.202 1.00 44.56 102D 579 HETATM 525 O HOH 39 18.983 19.555 96.880 1.00 41.42 102D 580 HETATM 526 O HOH 40 7.029 16.991 61.203 1.00 52.29 102D 581 HETATM 527 O HOH 41 28.420 23.825 83.858 1.00 57.56 102D 582 HETATM 528 O HOH 42 17.290 17.109 74.575 1.00 67.70 102D 583 HETATM 529 O HOH 43 10.804 7.909 55.581 1.00 38.65 102D 584 HETATM 530 O HOH 44 12.303 18.666 81.600 1.00 42.35 102D 585 HETATM 531 O HOH 45 21.001 28.264 58.915 1.00 55.09 102D 586 HETATM 532 O HOH 46 11.084 13.339 64.578 1.00 51.32 102D 587 HETATM 533 O HOH 47 3.077 25.873 59.117 1.00 54.41 102D 588 HETATM 534 O HOH 48 6.646 19.843 89.482 1.00 33.13 102D 589 HETATM 535 O HOH 49 5.689 7.289 55.413 1.00 43.81 102D 590 HETATM 536 O HOH 50 22.234 21.389 77.187 1.00 46.51 102D 591 HETATM 537 O HOH 51 16.807 29.957 73.223 1.00 47.03 102D 592 HETATM 538 O HOH 52 10.785 7.780 80.954 1.00 36.28 102D 593 HETATM 539 O HOH 53 10.727 11.945 77.462 1.00 20.63 102D 594 HETATM 540 O HOH 54 4.871 23.417 62.549 1.00 51.71 102D 595 HETATM 541 O HOH 55 6.360 20.825 92.199 1.00 62.76 102D 596 HETATM 542 O HOH 56 9.753 12.345 62.204 1.00 65.46 102D 597 HETATM 543 O HOH 57 15.459 14.556 66.858 1.00 60.69 102D 598 HETATM 544 O HOH 58 10.065 23.028 91.287 1.00 48.35 102D 599 HETATM 545 O HOH 59 10.574 30.772 64.640 1.00 67.94 102D 600 HETATM 546 O HOH 60 18.232 25.826 78.351 1.00 61.75 102D 601 HETATM 547 O HOH 61 7.631 25.219 88.266 1.00 51.74 102D 602 HETATM 548 O HOH 62 19.008 26.483 62.056 1.00 50.75 102D 603 HETATM 549 O HOH 63 14.476 29.327 87.402 1.00 46.03 102D 604 HETATM 550 O HOH 64 12.537 9.831 78.921 1.00 29.33 102D 605 HETATM 551 O HOH 65 8.282 30.796 62.434 1.00 56.01 102D 606 HETATM 552 O HOH 66 2.318 23.825 80.611 1.00 38.23 102D 607 HETATM 553 O HOH 67 19.356 20.696 84.545 1.00 62.59 102D 608 HETATM 554 O HOH 68 5.538 18.553 84.415 1.00 50.67 102D 609 HETATM 555 O HOH 69 8.827 28.935 56.792 1.00 57.71 102D 610 HETATM 556 O HOH 70 19.733 22.261 74.159 1.00 79.32 102D 611 HETATM 557 O HOH 71 3.519 20.777 75.841 1.00 67.49 102D 612 HETATM 558 O HOH 72 8.206 17.707 81.803 1.00 47.53 102D 613 HETATM 559 O HOH 73 2.773 19.452 83.584 1.00 42.41 102D 614 HETATM 560 O HOH 74 20.693 16.058 76.898 1.00 56.48 102D 615 HETATM 561 O HOH 75 20.037 19.558 76.919 1.00 63.24 102D 616 HETATM 562 O HOH 76 15.663 28.250 80.540 1.00 66.51 102D 617 HETATM 563 O HOH 77 10.101 22.938 53.895 1.00 37.71 102D 618 HETATM 564 O HOH 78 7.527 21.721 54.651 1.00 51.31 102D 619 HETATM 565 O HOH 79 2.492 20.899 85.747 1.00 51.99 102D 620 HETATM 566 O HOH 80 17.137 16.864 71.331 1.00 72.89 102D 621 HETATM 567 O HOH 81 24.031 16.184 79.062 1.00 55.24 102D 622 HETATM 568 O HOH 82 15.263 13.607 76.510 1.00 54.30 102D 623 HETATM 569 O HOH 83 12.234 10.893 75.491 1.00 48.63 102D 624 HETATM 570 O HOH 84 3.207 28.373 85.317 1.00 44.16 102D 625 HETATM 571 O HOH 85 22.807 12.310 61.745 1.00 61.86 102D 626 HETATM 572 O HOH 86 26.125 10.834 94.758 1.00 66.19 102D 627 HETATM 573 O HOH 87 0.870 15.096 63.358 1.00 56.41 102D 628 HETATM 574 O HOH 88 5.237 22.166 89.286 1.00 63.94 102D 629 HETATM 575 O HOH 89 12.107 25.162 53.223 1.00 60.87 102D 630 HETATM 576 O HOH 90 12.444 28.963 89.822 1.00 48.74 102D 631 HETATM 577 O HOH 91 11.758 31.169 55.396 1.00 65.90 102D 632 HETATM 578 O HOH 92 9.976 9.962 78.828 1.00 16.45 102D 633 HETATM 579 O HOH 93 12.993 6.616 49.123 1.00 65.17 102D 634 HETATM 580 O HOH 94 11.968 17.554 84.091 1.00 70.23 102D 635 HETATM 581 O HOH 95 17.025 29.175 77.447 1.00 49.95 102D 636 HETATM 582 O HOH 96 6.333 9.265 57.827 1.00 49.76 102D 637 HETATM 583 O HOH 97 11.037 24.186 48.095 1.00 50.20 102D 638 HETATM 584 O HOH 98 13.040 10.734 64.768 1.00 53.57 102D 639 CONECT 489 490 494 508 102D 640 CONECT 490 489 491 102D 641 CONECT 491 490 492 102D 642 CONECT 492 491 493 495 102D 643 CONECT 493 492 494 102D 644 CONECT 494 489 493 102D 645 CONECT 495 492 496 497 102D 646 CONECT 496 495 102D 647 CONECT 497 495 102D 648 CONECT 498 499 503 511 102D 649 CONECT 499 498 500 102D 650 CONECT 500 499 501 102D 651 CONECT 501 500 502 504 102D 652 CONECT 502 501 503 102D 653 CONECT 503 498 502 102D 654 CONECT 504 501 505 506 102D 655 CONECT 505 504 102D 656 CONECT 506 504 102D 657 CONECT 507 508 509 102D 658 CONECT 508 489 507 102D 659 CONECT 509 507 510 102D 660 CONECT 510 509 511 102D 661 CONECT 511 498 510 102D 662 MASTER 29 0 1 0 0 0 0 6 582 2 23 2 102D 663 END 102D 664 HEADER HYDROLASE(O-GLYCOSYL) 29-SEP-92 102L 102L 2 COMPND LYSOZYME INSERTION MUTANT WITH ALA INSERTED AFTER ASN 40, 102L 3 COMPND 2 CYS 54 REPLACED BY THR, CYS 97 REPLACED BY ALA (INS(N40-A), 102L 4 COMPND 3 C54T,C97A) 102L 5 SOURCE BACTERIOPHAGE T4 (MUTANT GENE DERIVED FROM THE M13 102L 6 SOURCE 2 PLASMID BY CLONING THE T4 LYSOZYME GENE) 102L 7 AUTHOR D.W.HEINZ,B.W.MATTHEWS 102L 8 REVDAT 2 15-JAN-95 102LA 1 HET 102LA 1 REVDAT 1 31-OCT-93 102L 0 102L 9 JRNL AUTH D.W.HEINZ,W.A.BAASE,F.W.DAHLQUIST,B.W.MATTHEWS 102L 10 JRNL TITL HOW AMINO-ACID INSERTIONS ARE ALLOWED IN AN 102L 11 JRNL TITL 2 ALPHA-HELIX OF T4 LYSOZYME 102L 12 JRNL REF NATURE V. 361 561 1993 102L 13 JRNL REFN ASTM NATUAS UK ISSN 0028-0836 006 102L 14 REMARK 1 102L 15 REMARK 2 102L 16 REMARK 2 RESOLUTION. 1.74 ANGSTROMS. 102L 17 REMARK 3 102L 18 REMARK 3 REFINEMENT. 102L 19 REMARK 3 PROGRAM TNT 102L 20 REMARK 3 AUTHORS TRONRUD,TEN EYCK,MATTHEWS 102L 21 REMARK 3 R VALUE 0.174 102L 22 REMARK 3 RMSD BOND DISTANCES 0.014 ANGSTROMS 102L 23 REMARK 3 RMSD BOND ANGLES 2.0 DEGREES 102L 24 REMARK 4 102L 25 REMARK 4 THERE ARE A LARGE NUMBER OF PROTEIN DATA BANK ENTRIES THAT 102L 26 REMARK 4 PRESENT COORDINATES FOR MOLECULES PRODUCED BY SITE-DIRECTED 102L 27 REMARK 4 MUTAGENESIS OF BACTERIOPHAGE T4 LYSOZYME. COORDINATES OF 102L 28 REMARK 4 THE NATIVE ENZYME ARE PRESENTED IN PROTEIN DATA BANK 102L 29 REMARK 4 ENTRIES 2LZM (DESIGNATED NATR1 BY THE DEPOSITORS) AND 3LZM 102L 30 REMARK 4 (DESIGNATED T4167RF BY THE DEPOSITORS). 3LZM SUPERSEDES 102L 31 REMARK 4 2LZM AND IS BASED ON ADDITIONAL REFINEMENT USING 102L 32 REMARK 4 RECOLLECTED DATA TO 1.7 ANGSTROMS RESOLUTION. HOWEVER, 102L 33 REMARK 4 BOTH 3LZM AND 2LZM ARE AVAILABLE FROM THE PROTEIN DATA 102L 34 REMARK 4 BANK. COMPARISON OF A MUTANT LYSOZYME TO WILD-TYPE 102L 35 REMARK 4 LYSOZYME IS BEST DONE BY USING THE WILD-TYPE COORDINATE SET 102L 36 REMARK 4 (EITHER 3LZM OR 2LZM) WHICH WAS USED AS THE STARTING POINT 102L 37 REMARK 4 FOR THE REFINEMENT OF THAT MUTANT. 102L 38 REMARK 4 102L 39 REMARK 4 THIS STRUCTURE IS ISOMORPHOUS TO WILD TYPE. 102L 40 REMARK 4 STARTING COORDINATES WERE BASED ON THE WILD-TYPE MODEL. 102L 41 REMARK 5 102L 42 REMARK 5 THE ORTHOGONAL X,Y,Z AXES OF THIS COORDINATE SET ARE 102L 43 REMARK 5 ALIGNED IN THE A*,B,C CRYSTALLOGRAPHIC DIRECTIONS. 102L 44 REMARK 6 102L 45 REMARK 6 RESIDUES 162 - 164 IN WILD-TYPE AND ALL MUTANT LYSOZYMES 102L 46 REMARK 6 ARE EXTREMELY MOBILE. THUS THE COORDINATES FOR THESE 102L 47 REMARK 6 RESIDUES ARE VERY UNRELIABLE. THIS ENTRY DOES NOT INCLUDE 102L 48 REMARK 6 RESIDUES 163 AND 164. 102L 49 REMARK 7 102L 50 REMARK 7 THERE ARE SEVERAL SUBTLE ASPECTS OF THE SECONDARY STRUCTURE 102L 51 REMARK 7 OF THIS MOLECULE WHICH CANNOT CONVENIENTLY BE REPRESENTED 102L 52 REMARK 7 IN THE HELIX AND SHEET RECORDS BELOW. THESE ASPECTS 102L 53 REMARK 7 INFLUENCE THE REPRESENTATION OF HELIX 6 AND STRAND 3 OF 102L 54 REMARK 7 SHEET *S1*. THE PAPER J.MOL.BIOL., V. 118, P. 81, 1978 102L 55 REMARK 7 SHOULD BE CONSULTED FOR THESE SUBTLETIES. 102L 56 REMARK 8 102L 57 REMARK 8 SEO 901 FORMS AN S-S LINKAGE TO SEO 902. THE DEPOSITORS 102L 58 REMARK 8 ASSIGNED THE RESIDUE NAME BME TO THE BETA-MERCAPTOETHANOL. 102L 59 REMARK 8 IN ORDER TO FOLLOW PROTEIN DATA BANK NOMENCLATURE, THE 102L 60 REMARK 8 THE MERCAPTOETHANOLS ARE PRESENTED AS *HET* GROUPS *SEO*. 102L 61 REMARK 9 102LA 2 REMARK 9 CORRECTION. INSERT MISSING HET RECORD. 15-JAN-95. 102LA 3 SEQRES 1 165 MET ASN ILE PHE GLU MET LEU ARG ILE ASP GLU GLY LEU 102L 62 SEQRES 2 165 ARG LEU LYS ILE TYR LYS ASP THR GLU GLY TYR TYR THR 102L 63 SEQRES 3 165 ILE GLY ILE GLY HIS LEU LEU THR LYS SER PRO SER LEU 102L 64 SEQRES 4 165 ASN ALA ALA ALA LYS SER GLU LEU ASP LYS ALA ILE GLY 102L 65 SEQRES 5 165 ARG ASN THR ASN GLY VAL ILE THR LYS ASP GLU ALA GLU 102L 66 SEQRES 6 165 LYS LEU PHE ASN GLN ASP VAL ASP ALA ALA VAL ARG GLY 102L 67 SEQRES 7 165 ILE LEU ARG ASN ALA LYS LEU LYS PRO VAL TYR ASP SER 102L 68 SEQRES 8 165 LEU ASP ALA VAL ARG ARG ALA ALA LEU ILE ASN MET VAL 102L 69 SEQRES 9 165 PHE GLN MET GLY GLU THR GLY VAL ALA GLY PHE THR ASN 102L 70 SEQRES 10 165 SER LEU ARG MET LEU GLN GLN LYS ARG TRP ASP GLU ALA 102L 71 SEQRES 11 165 ALA VAL ASN LEU ALA LYS SER ARG TRP TYR ASN GLN THR 102L 72 SEQRES 12 165 PRO ASN ARG ALA LYS ARG VAL ILE THR THR PHE ARG THR 102L 73 SEQRES 13 165 GLY THR TRP ASP ALA TYR LYS ASN LEU 102L 74 FTNOTE 1 102L 75 FTNOTE 1 RESIDUES 162 - 164 IN WILD-TYPE AND ALL MUTANT LYSOZYMES 102L 76 FTNOTE 1 ARE EXTREMELY MOBILE. THUS THE COORDINATES FOR THESE 102L 77 FTNOTE 1 RESIDUES ARE VERY UNRELIABLE. THIS ENTRY DOES NOT INCLUDE 102L 78 FTNOTE 1 RESIDUES 163 AND 164. 102L 79 FTNOTE 2 102L 80 FTNOTE 2 SEO 901 FORMS AN S-S LINKAGE TO SEO 902. 102L 81 HET SEO 901 4 BETA-MERCAPTOETHANOL 102LA 4 HET SEO 902 4 BETA-MERCAPTOETHANOL 102L 82 HET CL 173 1 CHLORIDE ION 102L 83 HET CL 178 1 CHLORIDE ION 102L 84 FORMUL 2 SEO 2(C2 H6 O1 S1) 102L 85 FORMUL 3 CL 2(CL1 -) 102L 86 FORMUL 4 HOH *132(H2 O1) 102L 87 CRYST1 60.900 60.900 96.100 90.00 90.00 120.00 P 32 2 1 6 102L 88 ORIGX1 1.000000 0.000000 0.000000 0.00000 102L 89 ORIGX2 0.000000 1.000000 0.000000 0.00000 102L 90 ORIGX3 0.000000 0.000000 1.000000 0.00000 102L 91 SCALE1 0.016420 0.009480 0.000000 0.00000 102L 92 SCALE2 0.000000 0.018961 0.000000 0.00000 102L 93 SCALE3 0.000000 0.000000 0.010406 0.00000 102L 94 ATOM 1 N MET 1 44.061 -3.277 8.755 1.00 22.03 102L 95 ATOM 2 CA MET 1 43.619 -1.924 8.869 1.00 14.21 102L 96 ATOM 3 C MET 1 42.195 -1.991 9.394 1.00 18.00 102L 97 ATOM 4 O MET 1 41.523 -2.983 9.193 1.00 16.68 102L 98 ATOM 5 CB MET 1 43.727 -1.353 7.458 1.00 17.98 102L 99 ATOM 6 CG MET 1 42.994 -0.069 7.291 1.00 31.76 102L 100 ATOM 7 SD MET 1 44.005 1.333 7.794 1.00 35.36 102L 101 ATOM 8 CE MET 1 45.515 0.985 6.912 1.00 39.74 102L 102 ATOM 9 N ASN 2 41.782 -0.980 10.131 1.00 11.26 102L 103 ATOM 10 CA ASN 2 40.445 -0.876 10.670 1.00 9.77 102L 104 ATOM 11 C ASN 2 40.049 0.598 10.743 1.00 12.27 102L 105 ATOM 12 O ASN 2 40.888 1.470 10.488 1.00 12.69 102L 106 ATOM 13 CB ASN 2 40.325 -1.552 12.050 1.00 9.48 102L 107 ATOM 14 CG ASN 2 41.252 -0.970 13.055 1.00 15.18 102L 108 ATOM 15 OD1 ASN 2 41.201 0.238 13.326 1.00 14.85 102L 109 ATOM 16 ND2 ASN 2 42.096 -1.839 13.600 1.00 12.08 102L 110 ATOM 17 N ILE 3 38.797 0.867 11.127 1.00 10.41 102L 111 ATOM 18 CA ILE 3 38.254 2.240 11.220 1.00 12.34 102L 112 ATOM 19 C ILE 3 39.087 3.218 12.033 1.00 11.77 102L 113 ATOM 20 O ILE 3 39.242 4.402 11.649 1.00 11.80 102L 114 ATOM 21 CB ILE 3 36.728 2.309 11.544 1.00 7.73 102L 115 ATOM 22 CG1 ILE 3 36.147 3.735 11.342 1.00 10.50 102L 116 ATOM 23 CG2 ILE 3 36.422 1.775 12.964 1.00 7.84 102L 117 ATOM 24 CD1 ILE 3 36.389 4.347 9.944 1.00 6.51 102L 118 ATOM 25 N PHE 4 39.579 2.751 13.181 1.00 7.52 102L 119 ATOM 26 CA PHE 4 40.340 3.621 14.036 1.00 12.31 102L 120 ATOM 27 C PHE 4 41.630 4.016 13.379 1.00 15.51 102L 121 ATOM 28 O PHE 4 42.032 5.160 13.445 1.00 14.87 102L 122 ATOM 29 CB PHE 4 40.621 2.933 15.371 1.00 8.96 102L 123 ATOM 30 CG PHE 4 39.379 2.855 16.227 1.00 9.96 102L 124 ATOM 31 CD1 PHE 4 39.073 3.907 17.101 1.00 15.69 102L 125 ATOM 32 CD2 PHE 4 38.518 1.751 16.206 1.00 12.68 102L 126 ATOM 33 CE1 PHE 4 37.914 3.872 17.879 1.00 10.88 102L 127 ATOM 34 CE2 PHE 4 37.354 1.718 16.979 1.00 14.17 102L 128 ATOM 35 CZ PHE 4 37.059 2.771 17.845 1.00 13.15 102L 129 ATOM 36 N GLU 5 42.313 3.039 12.797 1.00 10.64 102L 130 ATOM 37 CA GLU 5 43.586 3.293 12.110 1.00 13.83 102L 131 ATOM 38 C GLU 5 43.359 4.133 10.909 1.00 16.78 102L 132 ATOM 39 O GLU 5 44.141 4.992 10.620 1.00 15.29 102L 133 ATOM 40 CB GLU 5 44.253 1.987 11.668 1.00 12.62 102L 134 ATOM 41 CG GLU 5 44.624 1.030 12.827 1.00 20.04 102L 135 ATOM 42 CD GLU 5 45.297 -0.300 12.431 1.00 37.71 102L 136 ATOM 43 OE1 GLU 5 45.500 -0.641 11.262 1.00 42.95 102L 137 ATOM 44 OE2 GLU 5 45.773 -0.974 13.473 1.00 49.47 102L 138 ATOM 45 N MET 6 42.271 3.898 10.223 1.00 11.52 102L 139 ATOM 46 CA MET 6 41.968 4.686 9.048 1.00 6.95 102L 140 ATOM 47 C MET 6 41.759 6.148 9.439 1.00 19.45 102L 141 ATOM 48 O MET 6 42.311 7.077 8.827 1.00 13.48 102L 142 ATOM 49 CB MET 6 40.635 4.224 8.503 1.00 7.79 102L 143 ATOM 50 CG MET 6 40.324 4.716 7.108 1.00 7.00 102L 144 ATOM 51 SD MET 6 38.533 4.536 6.837 1.00 11.73 102L 145 ATOM 52 CE MET 6 38.411 4.480 5.006 1.00 16.93 102L 146 ATOM 53 N LEU 7 40.901 6.361 10.423 1.00 14.66 102L 147 ATOM 54 CA LEU 7 40.631 7.752 10.830 1.00 13.95 102L 148 ATOM 55 C LEU 7 41.841 8.428 11.477 1.00 11.28 102L 149 ATOM 56 O LEU 7 42.015 9.638 11.421 1.00 16.66 102L 150 ATOM 57 CB LEU 7 39.432 7.834 11.746 1.00 8.48 102L 151 ATOM 58 CG LEU 7 38.123 7.896 10.989 1.00 9.83 102L 152 ATOM 59 CD1 LEU 7 37.036 7.572 11.985 1.00 13.24 102L 153 ATOM 60 CD2 LEU 7 37.917 9.302 10.431 1.00 8.80 102L 154 ATOM 61 N ARG 8 42.711 7.650 12.102 1.00 12.11 102L 155 ATOM 62 CA ARG 8 43.896 8.220 12.718 1.00 10.01 102L 156 ATOM 63 C ARG 8 44.851 8.775 11.671 1.00 20.54 102L 157 ATOM 64 O ARG 8 45.453 9.802 11.898 1.00 14.32 102L 158 ATOM 65 CB ARG 8 44.536 7.355 13.764 1.00 16.50 102L 159 ATOM 66 CG ARG 8 45.960 7.773 14.115 1.00 23.96 102L 160 ATOM 67 CD ARG 8 46.080 8.683 15.336 1.00 40.52 102L 161 ATOM 68 NE ARG 8 47.473 8.999 15.693 1.00 58.50 102L 162 ATOM 69 CZ ARG 8 48.312 9.683 14.897 1.00 59.15 102L 163 ATOM 70 NH1 ARG 8 47.950 10.125 13.681 1.00 35.67 102L 164 ATOM 71 NH2 ARG 8 49.551 9.918 15.329 1.00100.00 102L 165 ATOM 72 N ILE 9 44.882 8.144 10.504 1.00 12.16 102L 166 ATOM 73 CA ILE 9 45.665 8.595 9.364 1.00 11.08 102L 167 ATOM 74 C ILE 9 45.034 9.856 8.758 1.00 22.81 102L 168 ATOM 75 O ILE 9 45.707 10.815 8.449 1.00 16.55 102L 169 ATOM 76 CB ILE 9 45.770 7.486 8.314 1.00 13.53 102L 170 ATOM 77 CG1 ILE 9 46.780 6.430 8.797 1.00 14.69 102L 171 ATOM 78 CG2 ILE 9 46.196 8.090 6.974 1.00 11.41 102L 172 ATOM 79 CD1 ILE 9 46.593 5.086 8.102 1.00 15.90 102L 173 ATOM 80 N ASP 10 43.716 9.893 8.630 1.00 10.87 102L 174 ATOM 81 CA ASP 10 43.019 11.005 8.031 1.00 10.92 102L 175 ATOM 82 C ASP 10 42.991 12.293 8.849 1.00 13.58 102L 176 ATOM 83 O ASP 10 43.058 13.386 8.327 1.00 16.13 102L 177 ATOM 84 CB ASP 10 41.618 10.612 7.575 1.00 12.37 102L 178 ATOM 85 CG ASP 10 41.678 9.831 6.281 1.00 14.52 102L 179 ATOM 86 OD1 ASP 10 42.584 9.953 5.475 1.00 15.75 102L 180 ATOM 87 OD2 ASP 10 40.668 9.030 6.097 1.00 16.98 102L 181 ATOM 88 N GLU 11 42.896 12.141 10.143 1.00 12.00 102L 182 ATOM 89 CA GLU 11 42.781 13.282 11.034 1.00 19.67 102L 183 ATOM 90 C GLU 11 44.046 13.712 11.758 1.00 19.51 102L 184 ATOM 91 O GLU 11 44.106 14.857 12.188 1.00 18.69 102L 185 ATOM 92 CB GLU 11 41.739 12.927 12.097 1.00 10.12 102L 186 ATOM 93 CG GLU 11 40.404 12.639 11.422 1.00 13.57 102L 187 ATOM 94 CD GLU 11 39.651 13.846 10.902 1.00 25.40 102L 188 ATOM 95 OE1 GLU 11 40.224 14.997 11.170 1.00 26.26 102L 189 ATOM 96 OE2 GLU 11 38.594 13.734 10.303 1.00 22.37 102L 190 ATOM 97 N GLY 12 44.981 12.764 11.978 1.00 14.65 102L 191 ATOM 98 CA GLY 12 46.223 12.976 12.716 1.00 13.81 102L 192 ATOM 99 C GLY 12 45.927 13.089 14.206 1.00 21.33 102L 193 ATOM 100 O GLY 12 44.819 12.814 14.633 1.00 18.51 102L 194 ATOM 101 N LEU 13 46.908 13.466 15.020 1.00 16.15 102L 195 ATOM 102 CA LEU 13 46.704 13.623 16.478 1.00 12.68 102L 196 ATOM 103 C LEU 13 47.348 14.915 16.937 1.00 28.41 102L 197 ATOM 104 O LEU 13 48.555 15.086 16.766 1.00 32.04 102L 198 ATOM 105 CB LEU 13 47.430 12.502 17.209 1.00 24.50 102L 199 ATOM 106 CG LEU 13 47.503 12.663 18.717 1.00 31.12 102L 200 ATOM 107 CD1 LEU 13 46.084 12.751 19.249 1.00 33.16 102L 201 ATOM 108 CD2 LEU 13 48.128 11.380 19.256 1.00 45.36 102L 202 ATOM 109 N ARG 14 46.579 15.802 17.550 1.00 26.84 102L 203 ATOM 110 CA ARG 14 47.115 17.067 18.073 1.00 23.06 102L 204 ATOM 111 C ARG 14 46.685 17.208 19.483 1.00 21.62 102L 205 ATOM 112 O ARG 14 45.523 17.030 19.772 1.00 19.06 102L 206 ATOM 113 CB ARG 14 46.725 18.264 17.238 1.00 21.69 102L 207 ATOM 114 CG ARG 14 47.322 17.982 15.877 1.00 24.04 102L 208 ATOM 115 CD ARG 14 47.571 19.169 14.983 1.00 36.55 102L 209 ATOM 116 NE ARG 14 48.487 20.157 15.532 1.00 48.24 102L 210 ATOM 117 CZ ARG 14 48.493 21.393 15.035 1.00100.00 102L 211 ATOM 118 NH1 ARG 14 47.668 21.734 14.027 1.00 38.57 102L 212 ATOM 119 NH2 ARG 14 49.332 22.302 15.539 1.00100.00 102L 213 ATOM 120 N LEU 15 47.645 17.453 20.351 1.00 17.62 102L 214 ATOM 121 CA LEU 15 47.385 17.573 21.767 1.00 22.79 102L 215 ATOM 122 C LEU 15 47.102 19.000 22.245 1.00 32.69 102L 216 ATOM 123 O LEU 15 46.841 19.224 23.434 1.00 28.86 102L 217 ATOM 124 CB LEU 15 48.486 16.923 22.603 1.00 19.64 102L 218 ATOM 125 CG LEU 15 48.644 15.425 22.358 1.00 26.11 102L 219 ATOM 126 CD1 LEU 15 49.676 14.882 23.315 1.00 30.63 102L 220 ATOM 127 CD2 LEU 15 47.326 14.688 22.579 1.00 23.42 102L 221 ATOM 128 N LYS 16 47.147 19.961 21.338 1.00 16.18 102L 222 ATOM 129 CA LYS 16 46.886 21.354 21.690 1.00 26.29 102L 223 ATOM 130 C LYS 16 45.745 21.807 20.834 1.00 18.81 102L 224 ATOM 131 O LYS 16 45.561 21.212 19.759 1.00 32.69 102L 225 ATOM 132 CB LYS 16 48.141 22.221 21.488 1.00 27.01 102L 226 ATOM 133 CG LYS 16 47.929 23.708 21.708 1.00 52.28 102L 227 ATOM 134 CD LYS 16 48.169 24.162 23.149 1.00100.00 102L 228 ATOM 135 CE LYS 16 46.903 24.656 23.872 1.00100.00 102L 229 ATOM 136 NZ LYS 16 46.855 26.123 24.145 1.00100.00 102L 230 ATOM 137 N ILE 17 44.928 22.778 21.299 1.00 20.42 102L 231 ATOM 138 CA ILE 17 43.804 23.226 20.475 1.00 13.98 102L 232 ATOM 139 C ILE 17 44.345 23.696 19.135 1.00 38.21 102L 233 ATOM 140 O ILE 17 45.371 24.393 19.132 1.00 21.64 102L 234 ATOM 141 CB ILE 17 42.958 24.331 21.146 1.00 20.71 102L 235 ATOM 142 CG1 ILE 17 42.258 23.734 22.379 1.00 28.04 102L 236 ATOM 143 CG2 ILE 17 41.910 24.958 20.195 1.00 19.24 102L 237 ATOM 144 CD1 ILE 17 41.342 24.732 23.071 1.00 26.92 102L 238 ATOM 145 N TYR 18 43.687 23.335 18.033 1.00 19.70 102L 239 ATOM 146 CA TYR 18 44.164 23.752 16.739 1.00 15.71 102L 240 ATOM 147 C TYR 18 42.987 24.124 15.865 1.00 17.89 102L 241 ATOM 148 O TYR 18 41.838 23.868 16.226 1.00 24.51 102L 242 ATOM 149 CB TYR 18 45.073 22.698 16.091 1.00 20.98 102L 243 ATOM 150 CG TYR 18 44.351 21.434 15.660 1.00 40.94 102L 244 ATOM 151 CD1 TYR 18 44.200 20.358 16.543 1.00 17.72 102L 245 ATOM 152 CD2 TYR 18 43.861 21.294 14.356 1.00 34.27 102L 246 ATOM 153 CE1 TYR 18 43.558 19.185 16.132 1.00 36.09 102L 247 ATOM 154 CE2 TYR 18 43.246 20.114 13.916 1.00 27.96 102L 248 ATOM 155 CZ TYR 18 43.054 19.081 14.830 1.00 24.67 102L 249 ATOM 156 OH TYR 18 42.452 17.938 14.408 1.00 35.50 102L 250 ATOM 157 N LYS 19 43.244 24.712 14.715 1.00 18.57 102L 251 ATOM 158 CA LYS 19 42.151 25.009 13.828 1.00 18.39 102L 252 ATOM 159 C LYS 19 42.113 23.991 12.712 1.00 42.60 102L 253 ATOM 160 O LYS 19 43.152 23.687 12.122 1.00 22.60 102L 254 ATOM 161 CB LYS 19 42.309 26.331 13.191 1.00 32.22 102L 255 ATOM 162 CG LYS 19 42.133 27.447 14.162 1.00 23.27 102L 256 ATOM 163 CD LYS 19 41.653 28.683 13.441 1.00 56.93 102L 257 ATOM 164 CE LYS 19 42.199 29.982 14.019 1.00 35.81 102L 258 ATOM 165 NZ LYS 19 41.540 31.177 13.457 1.00100.00 102L 259 ATOM 166 N ASP 20 40.908 23.490 12.396 1.00 26.75 102L 260 ATOM 167 CA ASP 20 40.819 22.532 11.321 1.00 21.10 102L 261 ATOM 168 C ASP 20 40.935 23.185 9.922 1.00 29.11 102L 262 ATOM 169 O ASP 20 41.140 24.381 9.818 1.00 28.77 102L 263 ATOM 170 CB ASP 20 39.698 21.530 11.528 1.00 16.04 102L 264 ATOM 171 CG ASP 20 38.340 22.048 11.206 1.00 21.96 102L 265 ATOM 172 OD1 ASP 20 38.305 23.268 10.836 1.00 22.80 102L 266 ATOM 173 OD2 ASP 20 37.355 21.394 11.310 1.00 30.14 102L 267 ATOM 174 N THR 21 40.813 22.409 8.859 1.00 25.15 102L 268 ATOM 175 CA THR 21 40.919 22.897 7.481 1.00 25.90 102L 269 ATOM 176 C THR 21 39.936 23.993 7.146 1.00 50.89 102L 270 ATOM 177 O THR 21 40.126 24.696 6.129 1.00 44.17 102L 271 ATOM 178 CB THR 21 40.733 21.750 6.458 1.00 37.26 102L 272 ATOM 179 OG1 THR 21 39.363 21.578 6.215 1.00 49.93 102L 273 ATOM 180 CG2 THR 21 41.304 20.423 7.009 1.00 47.37 102L 274 ATOM 181 N GLU 22 38.873 24.073 7.985 1.00 28.42 102L 275 ATOM 182 CA GLU 22 37.772 25.046 7.840 1.00 26.89 102L 276 ATOM 183 C GLU 22 37.895 26.196 8.815 1.00 31.73 102L 277 ATOM 184 O GLU 22 36.988 27.006 8.871 1.00 33.99 102L 278 ATOM 185 CB GLU 22 36.401 24.450 8.091 1.00 21.74 102L 279 ATOM 186 CG GLU 22 36.046 23.272 7.172 1.00 52.16 102L 280 ATOM 187 CD GLU 22 35.630 23.705 5.801 1.00 57.07 102L 281 ATOM 188 OE1 GLU 22 35.024 24.866 5.825 1.00 54.28 102L 282 ATOM 189 OE2 GLU 22 35.845 23.040 4.793 1.00 69.63 102L 283 ATOM 190 N GLY 23 39.004 26.187 9.603 1.00 24.52 102L 284 ATOM 191 CA GLY 23 39.361 27.176 10.603 1.00 18.51 102L 285 ATOM 192 C GLY 23 38.657 27.000 11.940 1.00 46.51 102L 286 ATOM 193 O GLY 23 38.613 27.946 12.722 1.00 30.99 102L 287 ATOM 194 N TYR 24 38.099 25.809 12.208 1.00 27.73 102L 288 ATOM 195 CA TYR 24 37.450 25.619 13.492 1.00 16.73 102L 289 ATOM 196 C TYR 24 38.357 24.994 14.477 1.00 27.94 102L 290 ATOM 197 O TYR 24 39.261 24.200 14.161 1.00 19.90 102L 291 ATOM 198 CB TYR 24 36.223 24.752 13.483 1.00 18.23 102L 292 ATOM 199 CG TYR 24 35.246 25.262 12.506 1.00 51.24 102L 293 ATOM 200 CD1 TYR 24 34.925 26.617 12.473 1.00 36.28 102L 294 ATOM 201 CD2 TYR 24 34.625 24.374 11.629 1.00 25.92 102L 295 ATOM 202 CE1 TYR 24 33.980 27.084 11.555 1.00100.00 102L 296 ATOM 203 CE2 TYR 24 33.698 24.838 10.695 1.00 35.38 102L 297 ATOM 204 CZ TYR 24 33.377 26.197 10.661 1.00 62.34 102L 298 ATOM 205 OH TYR 24 32.457 26.659 9.740 1.00 65.81 102L 299 ATOM 206 N TYR 25 38.023 25.322 15.694 1.00 17.66 102L 300 ATOM 207 CA TYR 25 38.755 24.848 16.827 1.00 18.84 102L 301 ATOM 208 C TYR 25 38.447 23.381 17.067 1.00 17.86 102L 302 ATOM 209 O TYR 25 37.269 22.991 17.244 1.00 17.69 102L 303 ATOM 210 CB TYR 25 38.347 25.722 17.996 1.00 32.98 102L 304 ATOM 211 CG TYR 25 39.027 27.054 17.899 1.00 56.48 102L 305 ATOM 212 CD1 TYR 25 40.419 27.148 17.777 1.00 32.62 102L 306 ATOM 213 CD2 TYR 25 38.274 28.229 17.919 1.00 35.75 102L 307 ATOM 214 CE1 TYR 25 41.050 28.390 17.642 1.00 68.36 102L 308 ATOM 215 CE2 TYR 25 38.889 29.482 17.871 1.00 29.80 102L 309 ATOM 216 CZ TYR 25 40.281 29.560 17.731 1.00 40.93 102L 310 ATOM 217 OH TYR 25 40.870 30.813 17.730 1.00 38.41 102L 311 ATOM 218 N THR 26 39.544 22.623 17.066 1.00 16.68 102L 312 ATOM 219 CA THR 26 39.562 21.186 17.188 1.00 20.26 102L 313 ATOM 220 C THR 26 40.676 20.812 18.127 1.00 22.77 102L 314 ATOM 221 O THR 26 41.578 21.597 18.433 1.00 16.17 102L 315 ATOM 222 CB THR 26 39.845 20.670 15.734 1.00 17.99 102L 316 ATOM 223 OG1 THR 26 38.853 21.192 14.871 1.00 20.26 102L 317 ATOM 224 CG2 THR 26 39.883 19.158 15.549 1.00 12.09 102L 318 ATOM 225 N ILE 27 40.653 19.572 18.551 1.00 15.85 102L 319 ATOM 226 CA ILE 27 41.730 19.014 19.350 1.00 23.82 102L 320 ATOM 227 C ILE 27 41.729 17.489 19.107 1.00 17.09 102L 321 ATOM 228 O ILE 27 40.796 16.971 18.532 1.00 17.56 102L 322 ATOM 229 CB ILE 27 41.677 19.397 20.855 1.00 26.09 102L 323 ATOM 230 CG1 ILE 27 43.025 19.251 21.604 1.00 20.12 102L 324 ATOM 231 CG2 ILE 27 40.566 18.565 21.484 1.00 23.11 102L 325 ATOM 232 CD1 ILE 27 43.111 20.016 22.912 1.00 28.34 102L 326 ATOM 233 N GLY 28 42.802 16.834 19.498 1.00 16.93 102L 327 ATOM 234 CA GLY 28 42.992 15.394 19.468 1.00 15.97 102L 328 ATOM 235 C GLY 28 42.965 14.815 18.104 1.00 21.48 102L 329 ATOM 236 O GLY 28 43.757 15.202 17.265 1.00 15.60 102L 330 ATOM 237 N ILE 29 42.085 13.857 17.930 1.00 15.02 102L 331 ATOM 238 CA ILE 29 41.983 13.190 16.647 1.00 11.34 102L 332 ATOM 239 C ILE 29 40.732 13.617 15.912 1.00 12.88 102L 333 ATOM 240 O ILE 29 39.738 12.896 15.784 1.00 16.81 102L 334 ATOM 241 CB ILE 29 42.061 11.683 16.808 1.00 16.78 102L 335 ATOM 242 CG1 ILE 29 43.440 11.325 17.392 1.00 23.39 102L 336 ATOM 243 CG2 ILE 29 41.859 11.056 15.420 1.00 13.32 102L 337 ATOM 244 CD1 ILE 29 43.432 10.032 18.203 1.00 21.19 102L 338 ATOM 245 N GLY 30 40.755 14.845 15.441 1.00 13.62 102L 339 ATOM 246 CA GLY 30 39.630 15.363 14.702 1.00 10.89 102L 340 ATOM 247 C GLY 30 38.420 15.665 15.571 1.00 19.05 102L 341 ATOM 248 O GLY 30 37.325 15.715 15.060 1.00 19.04 102L 342 ATOM 249 N HIS 31 38.582 15.943 16.864 1.00 13.56 102L 343 ATOM 250 CA HIS 31 37.412 16.245 17.671 1.00 11.73 102L 344 ATOM 251 C HIS 31 37.012 17.733 17.566 1.00 13.00 102L 345 ATOM 252 O HIS 31 37.664 18.566 18.200 1.00 15.78 102L 346 ATOM 253 CB HIS 31 37.686 15.918 19.172 1.00 8.42 102L 347 ATOM 254 CG HIS 31 36.418 16.124 19.997 1.00 14.31 102L 348 ATOM 255 ND1 HIS 31 35.339 15.217 19.985 1.00 16.57 102L 349 ATOM 256 CD2 HIS 31 36.067 17.149 20.834 1.00 19.90 102L 350 ATOM 257 CE1 HIS 31 34.411 15.691 20.790 1.00 12.02 102L 351 ATOM 258 NE2 HIS 31 34.817 16.842 21.335 1.00 13.20 102L 352 ATOM 259 N LEU 32 35.944 18.072 16.853 1.00 14.70 102L 353 ATOM 260 CA LEU 32 35.576 19.474 16.738 1.00 21.27 102L 354 ATOM 261 C LEU 32 35.110 20.070 18.055 1.00 17.96 102L 355 ATOM 262 O LEU 32 34.293 19.484 18.768 1.00 23.59 102L 356 ATOM 263 CB LEU 32 34.483 19.655 15.709 1.00 24.96 102L 357 ATOM 264 CG LEU 32 33.809 21.021 15.883 1.00 37.08 102L 358 ATOM 265 CD1 LEU 32 34.716 22.128 15.321 1.00 29.79 102L 359 ATOM 266 CD2 LEU 32 32.493 21.024 15.144 1.00 32.18 102L 360 ATOM 267 N LEU 33 35.614 21.219 18.415 1.00 18.72 102L 361 ATOM 268 CA LEU 33 35.164 21.764 19.676 1.00 20.97 102L 362 ATOM 269 C LEU 33 34.032 22.737 19.503 1.00 41.75 102L 363 ATOM 270 O LEU 33 32.991 22.672 20.171 1.00 27.34 102L 364 ATOM 271 CB LEU 33 36.311 22.445 20.429 1.00 13.76 102L 365 ATOM 272 CG LEU 33 37.266 21.410 20.982 1.00 19.34 102L 366 ATOM 273 CD1 LEU 33 38.555 22.130 21.302 1.00 19.06 102L 367 ATOM 274 CD2 LEU 33 36.698 20.851 22.272 1.00 15.40 102L 368 ATOM 275 N THR 34 34.266 23.645 18.590 1.00 22.36 102L 369 ATOM 276 CA THR 34 33.301 24.679 18.367 1.00 44.00 102L 370 ATOM 277 C THR 34 33.559 25.307 17.052 1.00 45.76 102L 371 ATOM 278 O THR 34 34.697 25.346 16.597 1.00 31.22 102L 372 ATOM 279 CB THR 34 33.444 25.783 19.483 1.00 35.75 102L 373 ATOM 280 OG1 THR 34 32.376 26.698 19.491 1.00 32.90 102L 374 ATOM 281 CG2 THR 34 34.762 26.563 19.415 1.00 20.37 102L 375 ATOM 282 N LYS 35 32.501 25.849 16.494 1.00 24.25 102L 376 ATOM 283 CA LYS 35 32.574 26.565 15.243 1.00 42.63 102L 377 ATOM 284 C LYS 35 32.811 28.058 15.481 1.00 64.06 102L 378 ATOM 285 O LYS 35 33.171 28.779 14.559 1.00 57.09 102L 379 ATOM 286 CB LYS 35 31.353 26.311 14.391 1.00 34.49 102L 380 ATOM 287 CG LYS 35 31.160 24.811 14.132 1.00 39.32 102L 381 ATOM 288 CD LYS 35 30.230 24.508 12.965 1.00 39.85 102L 382 ATOM 289 CE LYS 35 30.173 23.040 12.532 1.00100.00 102L 383 ATOM 290 NZ LYS 35 28.965 22.679 11.760 1.00100.00 102L 384 ATOM 291 N SER 36 32.647 28.482 16.750 1.00 48.05 102L 385 ATOM 292 CA SER 36 32.831 29.863 17.244 1.00100.00 102L 386 ATOM 293 C SER 36 34.270 30.363 17.150 1.00 51.92 102L 387 ATOM 294 O SER 36 35.239 29.634 17.356 1.00 34.57 102L 388 ATOM 295 CB SER 36 32.263 30.099 18.656 1.00 53.85 102L 389 ATOM 296 OG SER 36 33.084 30.962 19.427 1.00 86.01 102L 390 ATOM 297 N PRO 37 34.411 31.645 16.853 1.00100.00 102L 391 ATOM 298 CA PRO 37 35.715 32.247 16.702 1.00 88.71 102L 392 ATOM 299 C PRO 37 36.445 32.546 18.008 1.00 82.14 102L 393 ATOM 300 O PRO 37 37.608 32.955 18.010 1.00 89.87 102L 394 ATOM 301 CB PRO 37 35.496 33.521 15.905 1.00 54.39 102L 395 ATOM 302 CG PRO 37 34.026 33.611 15.550 1.00 84.05 102L 396 ATOM 303 CD PRO 37 33.343 32.420 16.171 1.00 52.62 102L 397 ATOM 304 N SER 38 35.757 32.342 19.122 1.00 71.36 102L 398 ATOM 305 CA SER 38 36.379 32.588 20.402 1.00 51.34 102L 399 ATOM 306 C SER 38 37.170 31.381 20.937 1.00 52.97 102L 400 ATOM 307 O SER 38 36.646 30.307 21.261 1.00 44.90 102L 401 ATOM 308 CB SER 38 35.428 33.211 21.431 1.00100.00 102L 402 ATOM 309 OG SER 38 36.119 33.409 22.663 1.00 98.19 102L 403 ATOM 310 N LEU 39 38.472 31.582 21.057 1.00 41.59 102L 404 ATOM 311 CA LEU 39 39.388 30.558 21.549 1.00 28.63 102L 405 ATOM 312 C LEU 39 39.387 30.417 23.055 1.00 43.98 102L 406 ATOM 313 O LEU 39 39.138 29.356 23.656 1.00 40.86 102L 407 ATOM 314 CB LEU 39 40.865 30.883 21.166 1.00 51.77 102L 408 ATOM 315 CG LEU 39 41.867 30.049 21.986 1.00 44.11 102L 409 ATOM 316 CD1 LEU 39 42.133 28.717 21.319 1.00 53.35 102L 410 ATOM 317 CD2 LEU 39 43.181 30.782 22.224 1.00 51.54 102L 411 ATOM 318 N ASN 40 39.818 31.534 23.630 1.00 71.83 102L 412 ATOM 319 CA ASN 40 40.066 31.715 25.041 1.00 48.90 102L 413 ATOM 320 C ASN 40 38.939 31.498 26.000 1.00 63.59 102L 414 ATOM 321 O ASN 40 39.157 31.303 27.210 1.00100.00 102L 415 ATOM 322 CB ASN 40 41.001 32.867 25.413 1.00100.00 102L 416 ATOM 323 CG ASN 40 42.336 32.324 25.893 1.00100.00 102L 417 ATOM 324 OD1 ASN 40 43.415 32.767 25.435 1.00100.00 102L 418 ATOM 325 ND2 ASN 40 42.269 31.340 26.802 1.00100.00 102L 419 ATOM 326 N ALA 40A 37.787 31.453 25.447 1.00 43.92 102L 420 ATOM 327 CA ALA 40A 36.675 31.171 26.270 1.00100.00 102L 421 ATOM 328 C ALA 40A 36.020 29.971 25.676 1.00 71.47 102L 422 ATOM 329 O ALA 40A 36.257 28.839 26.083 1.00 76.87 102L 423 ATOM 330 CB ALA 40A 35.727 32.351 26.359 1.00 98.13 102L 424 ATOM 331 N ALA 41 35.288 30.257 24.615 1.00 35.10 102L 425 ATOM 332 CA ALA 41 34.472 29.292 23.912 1.00 35.81 102L 426 ATOM 333 C ALA 41 35.127 27.965 23.689 1.00 38.31 102L 427 ATOM 334 O ALA 41 34.663 26.939 24.153 1.00 37.71 102L 428 ATOM 335 CB ALA 41 33.760 29.813 22.676 1.00 27.38 102L 429 ATOM 336 N ALA 42 36.228 27.971 22.983 1.00 32.48 102L 430 ATOM 337 CA ALA 42 36.872 26.701 22.726 1.00 31.86 102L 431 ATOM 338 C ALA 42 37.431 26.052 23.970 1.00 27.02 102L 432 ATOM 339 O ALA 42 37.346 24.837 24.174 1.00 24.88 102L 433 ATOM 340 CB ALA 42 38.018 26.854 21.743 1.00 32.17 102L 434 ATOM 341 N LYS 43 38.089 26.850 24.780 1.00 25.88 102L 435 ATOM 342 CA LYS 43 38.683 26.280 25.960 1.00 30.75 102L 436 ATOM 343 C LYS 43 37.624 25.781 26.942 1.00 12.82 102L 437 ATOM 344 O LYS 43 37.780 24.779 27.629 1.00 28.89 102L 438 ATOM 345 CB LYS 43 39.583 27.272 26.600 1.00 23.60 102L 439 ATOM 346 CG LYS 43 40.944 27.265 25.975 1.00 41.34 102L 440 ATOM 347 CD LYS 43 41.700 28.478 26.428 1.00 64.02 102L 441 ATOM 348 CE LYS 43 43.191 28.429 26.169 1.00100.00 102L 442 ATOM 349 NZ LYS 43 43.990 29.087 27.218 1.00 62.38 102L 443 ATOM 350 N SER 44 36.501 26.455 26.891 1.00 15.50 102L 444 ATOM 351 CA SER 44 35.355 26.129 27.710 1.00 39.96 102L 445 ATOM 352 C SER 44 34.784 24.766 27.289 1.00 24.46 102L 446 ATOM 353 O SER 44 34.574 23.887 28.118 1.00 23.38 102L 447 ATOM 354 CB SER 44 34.339 27.285 27.581 1.00 24.45 102L 448 ATOM 355 OG SER 44 33.113 27.025 28.211 1.00 44.80 102L 449 ATOM 356 N GLU 45 34.615 24.613 25.980 1.00 22.09 102L 450 ATOM 357 CA GLU 45 34.119 23.396 25.425 1.00 14.38 102L 451 ATOM 358 C GLU 45 35.094 22.299 25.708 1.00 21.28 102L 452 ATOM 359 O GLU 45 34.709 21.212 26.099 1.00 17.95 102L 453 ATOM 360 CB GLU 45 33.990 23.539 23.936 1.00 13.45 102L 454 ATOM 361 CG GLU 45 32.765 24.391 23.575 1.00 18.14 102L 455 ATOM 362 CD GLU 45 31.465 23.733 23.926 1.00 27.85 102L 456 ATOM 363 OE1 GLU 45 31.253 22.554 23.804 1.00 27.27 102L 457 ATOM 364 OE2 GLU 45 30.564 24.588 24.307 1.00 32.33 102L 458 ATOM 365 N LEU 46 36.351 22.605 25.565 1.00 17.42 102L 459 ATOM 366 CA LEU 46 37.309 21.565 25.846 1.00 16.82 102L 460 ATOM 367 C LEU 46 37.236 21.053 27.295 1.00 28.48 102L 461 ATOM 368 O LEU 46 37.266 19.854 27.569 1.00 23.01 102L 462 ATOM 369 CB LEU 46 38.740 22.042 25.544 1.00 17.60 102L 463 ATOM 370 CG LEU 46 39.831 20.993 25.864 1.00 13.82 102L 464 ATOM 371 CD1 LEU 46 39.610 19.749 25.008 1.00 13.31 102L 465 ATOM 372 CD2 LEU 46 41.187 21.622 25.487 1.00 15.53 102L 466 ATOM 373 N ASP 47 37.167 21.986 28.248 1.00 18.89 102L 467 ATOM 374 CA ASP 47 37.157 21.599 29.633 1.00 21.53 102L 468 ATOM 375 C ASP 47 35.950 20.824 29.998 1.00 13.39 102L 469 ATOM 376 O ASP 47 36.045 19.949 30.830 1.00 15.61 102L 470 ATOM 377 CB ASP 47 37.345 22.762 30.603 1.00 32.42 102L 471 ATOM 378 CG ASP 47 38.685 23.464 30.503 1.00 28.33 102L 472 ATOM 379 OD1 ASP 47 39.732 23.005 30.021 1.00 27.12 102L 473 ATOM 380 OD2 ASP 47 38.603 24.631 31.030 1.00 37.87 102L 474 ATOM 381 N LYS 48 34.844 21.190 29.372 1.00 13.81 102L 475 ATOM 382 CA LYS 48 33.597 20.481 29.596 1.00 15.80 102L 476 ATOM 383 C LYS 48 33.679 19.063 28.986 1.00 12.54 102L 477 ATOM 384 O LYS 48 33.154 18.087 29.527 1.00 14.11 102L 478 ATOM 385 CB LYS 48 32.577 21.331 28.878 1.00 18.93 102L 479 ATOM 386 CG LYS 48 31.254 20.697 28.605 1.00 17.49 102L 480 ATOM 387 CD LYS 48 30.221 21.778 28.424 1.00 21.88 102L 481 ATOM 388 CE LYS 48 30.194 22.314 27.016 1.00 33.44 102L 482 ATOM 389 NZ LYS 48 29.549 21.358 26.087 1.00 23.65 102L 483 ATOM 390 N ALA 49 34.350 18.941 27.842 1.00 15.04 102L 484 ATOM 391 CA ALA 49 34.458 17.624 27.186 1.00 19.71 102L 485 ATOM 392 C ALA 49 35.327 16.655 27.977 1.00 16.75 102L 486 ATOM 393 O ALA 49 35.060 15.457 28.113 1.00 19.16 102L 487 ATOM 394 CB ALA 49 34.921 17.767 25.740 1.00 17.74 102L 488 ATOM 395 N ILE 50 36.375 17.203 28.557 1.00 12.62 102L 489 ATOM 396 CA ILE 50 37.352 16.436 29.328 1.00 16.81 102L 490 ATOM 397 C ILE 50 37.040 16.275 30.804 1.00 27.80 102L 491 ATOM 398 O ILE 50 37.451 15.311 31.456 1.00 24.90 102L 492 ATOM 399 CB ILE 50 38.768 17.066 29.162 1.00 13.88 102L 493 ATOM 400 CG1 ILE 50 39.234 17.043 27.705 1.00 33.66 102L 494 ATOM 401 CG2 ILE 50 39.798 16.397 30.036 1.00 15.04 102L 495 ATOM 402 CD1 ILE 50 39.201 15.651 27.056 1.00 25.54 102L 496 ATOM 403 N GLY 51 36.367 17.243 31.355 1.00 18.61 102L 497 ATOM 404 CA GLY 51 36.064 17.136 32.749 1.00 24.27 102L 498 ATOM 405 C GLY 51 37.132 17.713 33.646 1.00 26.79 102L 499 ATOM 406 O GLY 51 37.233 17.344 34.806 1.00 27.91 102L 500 ATOM 407 N ARG 52 37.933 18.622 33.131 1.00 27.86 102L 501 ATOM 408 CA ARG 52 38.943 19.226 33.976 1.00 20.39 102L 502 ATOM 409 C ARG 52 39.394 20.522 33.413 1.00 32.81 102L 503 ATOM 410 O ARG 52 39.056 20.800 32.259 1.00 23.27 102L 504 ATOM 411 CB ARG 52 40.114 18.297 34.269 1.00 29.48 102L 505 ATOM 412 CG ARG 52 41.179 18.266 33.183 1.00 26.18 102L 506 ATOM 413 CD ARG 52 42.135 17.122 33.453 1.00 22.11 102L 507 ATOM 414 NE ARG 52 43.067 16.875 32.353 1.00 33.93 102L 508 ATOM 415 CZ ARG 52 43.830 17.823 31.777 1.00 36.63 102L 509 ATOM 416 NH1 ARG 52 43.747 19.106 32.155 1.00 53.95 102L 510 ATOM 417 NH2 ARG 52 44.669 17.490 30.780 1.00 25.65 102L 511 ATOM 418 N ASN 53 40.136 21.298 34.218 1.00 34.56 102L 512 ATOM 419 CA ASN 53 40.650 22.557 33.734 1.00 22.44 102L 513 ATOM 420 C ASN 53 41.866 22.250 32.887 1.00 28.30 102L 514 ATOM 421 O ASN 53 42.911 21.898 33.410 1.00 35.72 102L 515 ATOM 422 CB ASN 53 40.984 23.546 34.852 1.00 28.73 102L 516 ATOM 423 CG ASN 53 40.182 24.812 34.632 1.00100.00 102L 517 ATOM 424 OD1 ASN 53 39.016 24.891 35.050 1.00100.00 102L 518 ATOM 425 ND2 ASN 53 40.763 25.755 33.877 1.00 40.00 102L 519 ATOM 426 N THR 54 41.701 22.335 31.578 1.00 30.85 102L 520 ATOM 427 CA THR 54 42.765 21.938 30.683 1.00 31.85 102L 521 ATOM 428 C THR 54 43.764 22.961 30.252 1.00 34.54 102L 522 ATOM 429 O THR 54 44.880 22.585 29.941 1.00 43.42 102L 523 ATOM 430 CB THR 54 42.264 21.279 29.375 1.00 26.20 102L 524 ATOM 431 OG1 THR 54 41.666 22.249 28.495 1.00 25.39 102L 525 ATOM 432 CG2 THR 54 41.377 20.064 29.687 1.00 24.92 102L 526 ATOM 433 N ASN 55 43.380 24.203 30.088 1.00 45.44 102L 527 ATOM 434 CA ASN 55 44.324 25.139 29.519 1.00 93.69 102L 528 ATOM 435 C ASN 55 44.695 24.780 28.077 1.00 60.47 102L 529 ATOM 436 O ASN 55 45.888 24.905 27.659 1.00 55.88 102L 530 ATOM 437 CB ASN 55 45.518 25.611 30.407 1.00 40.63 102L 531 ATOM 438 CG ASN 55 45.909 27.111 30.238 1.00 45.86 102L 532 ATOM 439 OD1 ASN 55 45.097 28.010 29.899 1.00 57.43 102L 533 ATOM 440 ND2 ASN 55 47.192 27.382 30.474 1.00100.00 102L 534 ATOM 441 N GLY 56 43.710 24.284 27.287 1.00 30.09 102L 535 ATOM 442 CA GLY 56 43.810 23.964 25.851 1.00 24.84 102L 536 ATOM 443 C GLY 56 44.769 22.834 25.463 1.00 22.73 102L 537 ATOM 444 O GLY 56 45.073 22.567 24.303 1.00 29.35 102L 538 ATOM 445 N VAL 57 45.243 22.120 26.443 1.00 21.99 102L 539 ATOM 446 CA VAL 57 46.136 20.988 26.160 1.00 20.74 102L 540 ATOM 447 C VAL 57 45.654 19.677 26.835 1.00 33.25 102L 541 ATOM 448 O VAL 57 45.295 19.637 28.020 1.00 26.29 102L 542 ATOM 449 CB VAL 57 47.559 21.311 26.624 1.00 36.72 102L 543 ATOM 450 CG1 VAL 57 48.414 20.057 26.561 1.00 24.01 102L 544 ATOM 451 CG2 VAL 57 48.146 22.379 25.720 1.00 57.89 102L 545 ATOM 452 N ILE 58 45.670 18.571 26.095 1.00 19.98 102L 546 ATOM 453 CA ILE 58 45.198 17.301 26.630 1.00 24.84 102L 547 ATOM 454 C ILE 58 46.294 16.287 26.447 1.00 21.26 102L 548 ATOM 455 O ILE 58 47.276 16.573 25.754 1.00 26.23 102L 549 ATOM 456 CB ILE 58 43.858 16.876 25.969 1.00 29.15 102L 550 ATOM 457 CG1 ILE 58 44.014 16.658 24.426 1.00 17.88 102L 551 ATOM 458 CG2 ILE 58 42.737 17.891 26.320 1.00 17.46 102L 552 ATOM 459 CD1 ILE 58 42.835 15.945 23.771 1.00 16.30 102L 553 ATOM 460 N THR 59 46.136 15.134 27.088 1.00 18.62 102L 554 ATOM 461 CA THR 59 47.082 14.037 27.006 1.00 20.06 102L 555 ATOM 462 C THR 59 46.627 13.090 25.913 1.00 23.26 102L 556 ATOM 463 O THR 59 45.501 13.174 25.420 1.00 19.61 102L 557 ATOM 464 CB THR 59 47.257 13.297 28.368 1.00 26.47 102L 558 ATOM 465 OG1 THR 59 46.088 12.532 28.670 1.00 22.79 102L 559 ATOM 466 CG2 THR 59 47.511 14.306 29.480 1.00 27.85 102L 560 ATOM 467 N LYS 60 47.497 12.171 25.555 1.00 27.30 102L 561 ATOM 468 CA LYS 60 47.236 11.200 24.517 1.00 16.07 102L 562 ATOM 469 C LYS 60 46.034 10.326 24.878 1.00 14.87 102L 563 ATOM 470 O LYS 60 45.115 10.113 24.066 1.00 17.89 102L 564 ATOM 471 CB LYS 60 48.493 10.373 24.205 1.00 27.89 102L 565 ATOM 472 CG LYS 60 48.388 9.456 22.973 1.00 49.44 102L 566 ATOM 473 CD LYS 60 49.662 8.648 22.703 1.00 48.25 102L 567 ATOM 474 CE LYS 60 49.524 7.667 21.546 1.00 78.26 102L 568 ATOM 475 NZ LYS 60 49.840 8.270 20.236 1.00100.00 102L 569 ATOM 476 N ASP 61 45.990 9.880 26.145 1.00 21.96 102L 570 ATOM 477 CA ASP 61 44.878 9.061 26.617 1.00 13.53 102L 571 ATOM 478 C ASP 61 43.541 9.794 26.457 1.00 17.92 102L 572 ATOM 479 O ASP 61 42.534 9.175 26.104 1.00 23.32 102L 573 ATOM 480 CB ASP 61 45.039 8.694 28.080 1.00 18.40 102L 574 ATOM 481 CG ASP 61 46.104 7.702 28.349 1.00100.00 102L 575 ATOM 482 OD1 ASP 61 46.710 7.255 27.263 1.00 59.96 102L 576 ATOM 483 OD2 ASP 61 46.363 7.332 29.480 1.00100.00 102L 577 ATOM 484 N GLU 62 43.565 11.119 26.786 1.00 20.84 102L 578 ATOM 485 CA GLU 62 42.406 12.024 26.690 1.00 9.83 102L 579 ATOM 486 C GLU 62 41.937 12.114 25.244 1.00 14.72 102L 580 ATOM 487 O GLU 62 40.749 11.984 24.975 1.00 18.60 102L 581 ATOM 488 CB GLU 62 42.680 13.400 27.273 1.00 13.54 102L 582 ATOM 489 CG GLU 62 42.682 13.304 28.810 1.00 17.40 102L 583 ATOM 490 CD GLU 62 43.173 14.547 29.487 1.00 26.39 102L 584 ATOM 491 OE1 GLU 62 43.738 15.453 28.876 1.00 25.27 102L 585 ATOM 492 OE2 GLU 62 42.859 14.558 30.767 1.00 22.98 102L 586 ATOM 493 N ALA 63 42.901 12.266 24.319 1.00 16.42 102L 587 ATOM 494 CA ALA 63 42.587 12.328 22.895 1.00 16.70 102L 588 ATOM 495 C ALA 63 41.895 11.058 22.393 1.00 17.07 102L 589 ATOM 496 O ALA 63 40.983 11.104 21.567 1.00 16.00 102L 590 ATOM 497 CB ALA 63 43.845 12.628 22.075 1.00 11.69 102L 591 ATOM 498 N GLU 64 42.409 9.914 22.876 1.00 15.62 102L 592 ATOM 499 CA GLU 64 41.920 8.599 22.511 1.00 10.83 102L 593 ATOM 500 C GLU 64 40.578 8.339 23.120 1.00 11.46 102L 594 ATOM 501 O GLU 64 39.726 7.690 22.532 1.00 14.58 102L 595 ATOM 502 CB GLU 64 42.922 7.503 22.918 1.00 20.73 102L 596 ATOM 503 CG GLU 64 44.140 7.515 21.957 1.00 21.54 102L 597 ATOM 504 CD GLU 64 45.278 6.645 22.417 1.00 37.07 102L 598 ATOM 505 OE1 GLU 64 45.311 6.093 23.525 1.00 33.16 102L 599 ATOM 506 OE2 GLU 64 46.209 6.574 21.508 1.00 35.12 102L 600 ATOM 507 N LYS 65 40.366 8.886 24.290 1.00 11.75 102L 601 ATOM 508 CA LYS 65 39.060 8.731 24.905 1.00 8.98 102L 602 ATOM 509 C LYS 65 38.039 9.485 24.056 1.00 20.77 102L 603 ATOM 510 O LYS 65 36.993 8.946 23.692 1.00 17.76 102L 604 ATOM 511 CB LYS 65 39.053 9.279 26.307 1.00 13.75 102L 605 ATOM 512 CG LYS 65 37.667 9.110 26.929 1.00 29.01 102L 606 ATOM 513 CD LYS 65 37.673 8.827 28.425 1.00 79.03 102L 607 ATOM 514 CE LYS 65 36.496 7.966 28.860 1.00 68.86 102L 608 ATOM 515 NZ LYS 65 36.156 8.171 30.272 1.00 76.11 102L 609 ATOM 516 N LEU 66 38.356 10.733 23.640 1.00 11.76 102L 610 ATOM 517 CA LEU 66 37.419 11.498 22.757 1.00 4.31 102L 611 ATOM 518 C LEU 66 37.176 10.754 21.442 1.00 12.37 102L 612 ATOM 519 O LEU 66 36.052 10.712 20.941 1.00 11.62 102L 613 ATOM 520 CB LEU 66 37.962 12.913 22.364 1.00 10.45 102L 614 ATOM 521 CG LEU 66 38.080 13.843 23.584 1.00 17.68 102L 615 ATOM 522 CD1 LEU 66 38.694 15.194 23.213 1.00 17.97 102L 616 ATOM 523 CD2 LEU 66 36.718 14.083 24.167 1.00 23.17 102L 617 ATOM 524 N PHE 67 38.243 10.189 20.896 1.00 14.89 102L 618 ATOM 525 CA PHE 67 38.198 9.464 19.626 1.00 10.25 102L 619 ATOM 526 C PHE 67 37.283 8.259 19.734 1.00 8.66 102L 620 ATOM 527 O PHE 67 36.384 8.089 18.908 1.00 14.98 102L 621 ATOM 528 CB PHE 67 39.618 9.073 19.260 1.00 11.58 102L 622 ATOM 529 CG PHE 67 39.779 8.485 17.877 1.00 14.25 102L 623 ATOM 530 CD1 PHE 67 38.969 8.851 16.801 1.00 17.92 102L 624 ATOM 531 CD2 PHE 67 40.784 7.547 17.651 1.00 13.66 102L 625 ATOM 532 CE1 PHE 67 39.182 8.320 15.526 1.00 13.79 102L 626 ATOM 533 CE2 PHE 67 41.036 7.028 16.382 1.00 10.69 102L 627 ATOM 534 CZ PHE 67 40.207 7.400 15.325 1.00 12.55 102L 628 ATOM 535 N ASN 68 37.432 7.447 20.791 1.00 12.97 102L 629 ATOM 536 CA ASN 68 36.494 6.329 20.993 1.00 9.27 102L 630 ATOM 537 C ASN 68 35.020 6.763 21.051 1.00 10.39 102L 631 ATOM 538 O ASN 68 34.086 6.141 20.518 1.00 16.16 102L 632 ATOM 539 CB ASN 68 36.831 5.539 22.271 1.00 11.62 102L 633 ATOM 540 CG ASN 68 38.092 4.693 22.121 1.00 21.76 102L 634 ATOM 541 OD1 ASN 68 38.278 4.075 21.092 1.00 23.49 102L 635 ATOM 542 ND2 ASN 68 38.958 4.628 23.144 1.00 20.74 102L 636 ATOM 543 N GLN 69 34.783 7.822 21.765 1.00 9.48 102L 637 ATOM 544 CA GLN 69 33.417 8.322 21.844 1.00 8.74 102L 638 ATOM 545 C GLN 69 32.895 8.756 20.496 1.00 5.11 102L 639 ATOM 546 O GLN 69 31.728 8.549 20.161 1.00 14.54 102L 640 ATOM 547 CB GLN 69 33.313 9.548 22.827 1.00 8.47 102L 641 ATOM 548 CG GLN 69 33.649 9.099 24.266 1.00 9.94 102L 642 ATOM 549 CD GLN 69 33.780 10.255 25.239 1.00 21.42 102L 643 ATOM 550 OE1 GLN 69 33.916 10.029 26.430 1.00 19.51 102L 644 ATOM 551 NE2 GLN 69 33.767 11.478 24.738 1.00 14.94 102L 645 ATOM 552 N ASP 70 33.746 9.459 19.734 1.00 11.12 102L 646 ATOM 553 CA ASP 70 33.304 9.980 18.465 1.00 9.69 102L 647 ATOM 554 C ASP 70 33.065 8.894 17.438 1.00 12.82 102L 648 ATOM 555 O ASP 70 32.169 9.042 16.604 1.00 16.59 102L 649 ATOM 556 CB ASP 70 34.279 11.030 17.910 1.00 11.84 102L 650 ATOM 557 CG ASP 70 34.362 12.290 18.748 1.00 19.73 102L 651 ATOM 558 OD1 ASP 70 33.539 12.655 19.525 1.00 18.18 102L 652 ATOM 559 OD2 ASP 70 35.435 12.954 18.570 1.00 14.64 102L 653 ATOM 560 N VAL 71 33.844 7.786 17.481 1.00 13.17 102L 654 ATOM 561 CA VAL 71 33.650 6.709 16.508 1.00 13.15 102L 655 ATOM 562 C VAL 71 32.336 6.007 16.870 1.00 10.31 102L 656 ATOM 563 O VAL 71 31.508 5.698 16.021 1.00 12.65 102L 657 ATOM 564 CB VAL 71 34.854 5.729 16.434 1.00 12.87 102L 658 ATOM 565 CG1 VAL 71 34.538 4.464 15.613 1.00 7.84 102L 659 ATOM 566 CG2 VAL 71 36.072 6.426 15.835 1.00 12.09 102L 660 ATOM 567 N ASP 72 32.152 5.809 18.154 1.00 11.97 102L 661 ATOM 568 CA ASP 72 30.937 5.156 18.630 1.00 7.98 102L 662 ATOM 569 C ASP 72 29.724 5.942 18.217 1.00 10.29 102L 663 ATOM 570 O ASP 72 28.720 5.406 17.739 1.00 11.86 102L 664 ATOM 571 CB ASP 72 31.056 4.961 20.160 1.00 9.25 102L 665 ATOM 572 CG ASP 72 29.915 4.158 20.760 1.00 14.36 102L 666 ATOM 573 OD1 ASP 72 29.701 2.994 20.210 1.00 23.67 102L 667 ATOM 574 OD2 ASP 72 29.336 4.518 21.747 1.00 27.12 102L 668 ATOM 575 N ALA 73 29.786 7.263 18.409 1.00 14.04 102L 669 ATOM 576 CA ALA 73 28.678 8.139 18.052 1.00 14.94 102L 670 ATOM 577 C ALA 73 28.335 8.093 16.579 1.00 19.38 102L 671 ATOM 578 O ALA 73 27.156 8.126 16.194 1.00 13.84 102L 672 ATOM 579 CB ALA 73 28.992 9.588 18.433 1.00 14.56 102L 673 ATOM 580 N ALA 74 29.386 8.020 15.773 1.00 14.43 102L 674 ATOM 581 CA ALA 74 29.272 8.002 14.314 1.00 17.25 102L 675 ATOM 582 C ALA 74 28.521 6.736 13.912 1.00 14.45 102L 676 ATOM 583 O ALA 74 27.480 6.805 13.259 1.00 14.89 102L 677 ATOM 584 CB ALA 74 30.638 8.148 13.607 1.00 9.08 102L 678 ATOM 585 N VAL 75 29.033 5.579 14.376 1.00 11.87 102L 679 ATOM 586 CA VAL 75 28.342 4.348 14.077 1.00 17.71 102L 680 ATOM 587 C VAL 75 26.875 4.389 14.508 1.00 30.00 102L 681 ATOM 588 O VAL 75 25.988 3.994 13.766 1.00 19.87 102L 682 ATOM 589 CB VAL 75 28.993 3.159 14.786 1.00 23.35 102L 683 ATOM 590 CG1 VAL 75 28.206 1.863 14.455 1.00 15.27 102L 684 ATOM 591 CG2 VAL 75 30.419 3.050 14.261 1.00 16.50 102L 685 ATOM 592 N ARG 76 26.627 4.822 15.740 1.00 17.77 102L 686 ATOM 593 CA ARG 76 25.273 4.799 16.244 1.00 14.52 102L 687 ATOM 594 C ARG 76 24.394 5.768 15.477 1.00 24.38 102L 688 ATOM 595 O ARG 76 23.208 5.535 15.213 1.00 25.54 102L 689 ATOM 596 CB ARG 76 25.219 4.972 17.771 1.00 14.34 102L 690 ATOM 597 CG ARG 76 25.385 3.625 18.544 1.00 29.54 102L 691 ATOM 598 CD ARG 76 25.451 3.698 20.104 1.00 61.03 102L 692 ATOM 599 NE ARG 76 26.480 4.662 20.566 1.00 42.52 102L 693 ATOM 600 CZ ARG 76 26.240 5.916 20.839 1.00100.00 102L 694 ATOM 601 NH1 ARG 76 25.021 6.448 21.020 1.00100.00 102L 695 ATOM 602 NH2 ARG 76 27.274 6.722 21.193 1.00 25.73 102L 696 ATOM 603 N GLY 77 24.997 6.847 15.051 1.00 16.19 102L 697 ATOM 604 CA GLY 77 24.247 7.838 14.274 1.00 11.86 102L 698 ATOM 605 C GLY 77 23.808 7.273 12.947 1.00 20.83 102L 699 ATOM 606 O GLY 77 22.691 7.478 12.523 1.00 20.29 102L 700 ATOM 607 N ILE 78 24.711 6.561 12.286 1.00 17.48 102L 701 ATOM 608 CA ILE 78 24.411 5.899 11.016 1.00 17.82 102L 702 ATOM 609 C ILE 78 23.221 4.935 11.212 1.00 26.56 102L 703 ATOM 610 O ILE 78 22.294 4.841 10.394 1.00 19.86 102L 704 ATOM 611 CB ILE 78 25.610 5.104 10.465 1.00 15.30 102L 705 ATOM 612 CG1 ILE 78 26.648 6.035 9.817 1.00 10.06 102L 706 ATOM 613 CG2 ILE 78 25.177 4.056 9.446 1.00 9.68 102L 707 ATOM 614 CD1 ILE 78 28.050 5.410 9.765 1.00 12.00 102L 708 ATOM 615 N LEU 79 23.253 4.182 12.311 1.00 18.36 102L 709 ATOM 616 CA LEU 79 22.243 3.164 12.564 1.00 20.92 102L 710 ATOM 617 C LEU 79 20.887 3.662 12.916 1.00 23.74 102L 711 ATOM 618 O LEU 79 19.954 2.889 12.818 1.00 32.95 102L 712 ATOM 619 CB LEU 79 22.692 1.988 13.450 1.00 22.28 102L 713 ATOM 620 CG LEU 79 24.007 1.355 12.972 1.00 32.86 102L 714 ATOM 621 CD1 LEU 79 24.617 0.563 14.106 1.00 29.85 102L 715 ATOM 622 CD2 LEU 79 23.819 0.437 11.765 1.00 20.77 102L 716 ATOM 623 N ARG 80 20.817 4.929 13.343 1.00 25.27 102L 717 ATOM 624 CA ARG 80 19.592 5.582 13.726 1.00 21.23 102L 718 ATOM 625 C ARG 80 19.054 6.404 12.563 1.00 35.49 102L 719 ATOM 626 O ARG 80 17.942 6.904 12.599 1.00 43.37 102L 720 ATOM 627 CB ARG 80 19.953 6.588 14.827 1.00 34.23 102L 721 ATOM 628 CG ARG 80 19.716 6.170 16.275 1.00 95.42 102L 722 ATOM 629 CD ARG 80 19.612 7.396 17.200 1.00100.00 102L 723 ATOM 630 NE ARG 80 20.912 7.874 17.687 1.00100.00 102L 724 ATOM 631 CZ ARG 80 21.534 9.016 17.335 1.00100.00 102L 725 ATOM 632 NH1 ARG 80 21.026 9.910 16.463 1.00 68.38 102L 726 ATOM 633 NH2 ARG 80 22.717 9.263 17.892 1.00 72.87 102L 727 ATOM 634 N ASN 81 19.887 6.621 11.545 1.00 19.23 102L 728 ATOM 635 CA ASN 81 19.497 7.445 10.458 1.00 18.92 102L 729 ATOM 636 C ASN 81 18.738 6.655 9.391 1.00 37.00 102L 730 ATOM 637 O ASN 81 19.255 5.649 8.895 1.00 23.14 102L 731 ATOM 638 CB ASN 81 20.729 8.119 9.869 1.00 18.81 102L 732 ATOM 639 CG ASN 81 20.280 9.153 8.876 1.00 34.66 102L 733 ATOM 640 OD1 ASN 81 19.729 8.810 7.841 1.00 32.07 102L 734 ATOM 641 ND2 ASN 81 20.422 10.414 9.249 1.00 24.89 102L 735 ATOM 642 N ALA 82 17.506 7.086 9.067 1.00 36.90 102L 736 ATOM 643 CA ALA 82 16.668 6.384 8.099 1.00 23.62 102L 737 ATOM 644 C ALA 82 17.304 6.302 6.760 1.00 23.44 102L 738 ATOM 645 O ALA 82 17.073 5.378 6.016 1.00 26.65 102L 739 ATOM 646 CB ALA 82 15.346 7.092 7.913 1.00 31.06 102L 740 ATOM 647 N LYS 83 18.051 7.313 6.445 1.00 23.23 102L 741 ATOM 648 CA LYS 83 18.723 7.358 5.184 1.00 20.56 102L 742 ATOM 649 C LYS 83 20.047 6.607 5.181 1.00 17.43 102L 743 ATOM 650 O LYS 83 20.445 6.056 4.169 1.00 24.39 102L 744 ATOM 651 CB LYS 83 19.011 8.791 4.797 1.00 37.54 102L 745 ATOM 652 CG LYS 83 17.832 9.482 4.153 1.00 56.41 102L 746 ATOM 653 CD LYS 83 17.059 10.324 5.158 1.00100.00 102L 747 ATOM 654 CE LYS 83 16.230 11.420 4.494 1.00100.00 102L 748 ATOM 655 NZ LYS 83 16.988 12.250 3.539 1.00100.00 102L 749 ATOM 656 N LEU 84 20.758 6.628 6.288 1.00 22.02 102L 750 ATOM 657 CA LEU 84 22.056 5.991 6.277 1.00 21.01 102L 751 ATOM 658 C LEU 84 22.052 4.512 6.549 1.00 18.28 102L 752 ATOM 659 O LEU 84 22.826 3.759 6.003 1.00 17.24 102L 753 ATOM 660 CB LEU 84 23.084 6.740 7.141 1.00 14.43 102L 754 ATOM 661 CG LEU 84 23.203 8.228 6.781 1.00 22.52 102L 755 ATOM 662 CD1 LEU 84 24.073 8.951 7.804 1.00 14.86 102L 756 ATOM 663 CD2 LEU 84 23.747 8.461 5.364 1.00 17.15 102L 757 ATOM 664 N LYS 85 21.192 4.092 7.425 1.00 12.28 102L 758 ATOM 665 CA LYS 85 21.147 2.720 7.826 1.00 19.73 102L 759 ATOM 666 C LYS 85 21.079 1.702 6.720 1.00 20.38 102L 760 ATOM 667 O LYS 85 21.777 0.716 6.741 1.00 13.55 102L 761 ATOM 668 CB LYS 85 19.991 2.535 8.779 1.00 18.24 102L 762 ATOM 669 CG LYS 85 20.012 1.152 9.398 1.00 20.15 102L 763 ATOM 670 CD LYS 85 19.053 1.037 10.564 1.00 30.04 102L 764 ATOM 671 CE LYS 85 19.242 -0.249 11.331 1.00 57.19 102L 765 ATOM 672 NZ LYS 85 19.297 -1.395 10.428 1.00 34.35 102L 766 ATOM 673 N PRO 86 20.172 1.894 5.781 1.00 14.39 102L 767 ATOM 674 CA PRO 86 20.022 0.935 4.715 1.00 23.80 102L 768 ATOM 675 C PRO 86 21.257 0.868 3.873 1.00 16.45 102L 769 ATOM 676 O PRO 86 21.596 -0.186 3.406 1.00 12.25 102L 770 ATOM 677 CB PRO 86 18.819 1.365 3.854 1.00 16.51 102L 771 ATOM 678 CG PRO 86 18.240 2.597 4.520 1.00 31.84 102L 772 ATOM 679 CD PRO 86 19.143 2.959 5.700 1.00 15.89 102L 773 ATOM 680 N VAL 87 21.944 1.978 3.673 1.00 8.94 102L 774 ATOM 681 CA VAL 87 23.173 1.908 2.871 1.00 15.00 102L 775 ATOM 682 C VAL 87 24.248 1.085 3.610 1.00 9.44 102L 776 ATOM 683 O VAL 87 24.904 0.229 3.051 1.00 15.90 102L 777 ATOM 684 CB VAL 87 23.670 3.319 2.562 1.00 16.47 102L 778 ATOM 685 CG1 VAL 87 24.965 3.273 1.731 1.00 15.77 102L 779 ATOM 686 CG2 VAL 87 22.537 4.054 1.822 1.00 22.97 102L 780 ATOM 687 N TYR 88 24.437 1.389 4.881 1.00 11.39 102L 781 ATOM 688 CA TYR 88 25.382 0.713 5.730 1.00 10.39 102L 782 ATOM 689 C TYR 88 25.086 -0.765 5.725 1.00 17.58 102L 783 ATOM 690 O TYR 88 25.946 -1.593 5.526 1.00 11.66 102L 784 ATOM 691 CB TYR 88 25.276 1.289 7.168 1.00 13.22 102L 785 ATOM 692 CG TYR 88 26.347 0.813 8.108 1.00 13.98 102L 786 ATOM 693 CD1 TYR 88 27.567 1.492 8.202 1.00 12.88 102L 787 ATOM 694 CD2 TYR 88 26.122 -0.340 8.860 1.00 18.49 102L 788 ATOM 695 CE1 TYR 88 28.539 1.015 9.077 1.00 11.29 102L 789 ATOM 696 CE2 TYR 88 27.092 -0.824 9.742 1.00 21.65 102L 790 ATOM 697 CZ TYR 88 28.296 -0.118 9.854 1.00 27.56 102L 791 ATOM 698 OH TYR 88 29.293 -0.539 10.690 1.00 19.14 102L 792 ATOM 699 N ASP 89 23.832 -1.124 5.919 1.00 17.02 102L 793 ATOM 700 CA ASP 89 23.523 -2.557 5.942 1.00 12.53 102L 794 ATOM 701 C ASP 89 23.835 -3.246 4.644 1.00 19.78 102L 795 ATOM 702 O ASP 89 24.130 -4.440 4.597 1.00 19.70 102L 796 ATOM 703 CB ASP 89 22.025 -2.762 6.239 1.00 13.98 102L 797 ATOM 704 CG ASP 89 21.623 -2.512 7.688 1.00 18.35 102L 798 ATOM 705 OD1 ASP 89 22.625 -2.513 8.544 1.00 21.36 102L 799 ATOM 706 OD2 ASP 89 20.472 -2.208 7.981 1.00 26.04 102L 800 ATOM 707 N SER 90 23.706 -2.548 3.547 1.00 14.57 102L 801 ATOM 708 CA SER 90 23.954 -3.194 2.308 1.00 8.87 102L 802 ATOM 709 C SER 90 25.417 -3.393 2.009 1.00 14.58 102L 803 ATOM 710 O SER 90 25.759 -4.110 1.111 1.00 13.83 102L 804 ATOM 711 CB SER 90 23.360 -2.367 1.172 1.00 11.36 102L 805 ATOM 712 OG SER 90 24.184 -1.188 0.936 1.00 10.22 102L 806 ATOM 713 N LEU 91 26.319 -2.721 2.679 1.00 9.02 102L 807 ATOM 714 CA LEU 91 27.732 -2.802 2.300 1.00 11.78 102L 808 ATOM 715 C LEU 91 28.587 -3.873 2.969 1.00 13.30 102L 809 ATOM 716 O LEU 91 28.267 -4.312 4.084 1.00 13.45 102L 810 ATOM 717 CB LEU 91 28.411 -1.449 2.721 1.00 13.41 102L 811 ATOM 718 CG LEU 91 27.846 -0.179 2.025 1.00 21.01 102L 812 ATOM 719 CD1 LEU 91 28.274 1.109 2.730 1.00 20.41 102L 813 ATOM 720 CD2 LEU 91 28.340 -0.137 0.573 1.00 12.12 102L 814 ATOM 721 N ASP 92 29.760 -4.129 2.373 1.00 13.62 102L 815 ATOM 722 CA ASP 92 30.778 -5.008 2.979 1.00 8.68 102L 816 ATOM 723 C ASP 92 31.551 -4.287 4.101 1.00 11.62 102L 817 ATOM 724 O ASP 92 31.421 -3.067 4.283 1.00 13.09 102L 818 ATOM 725 CB ASP 92 31.754 -5.499 1.911 1.00 15.01 102L 819 ATOM 726 CG ASP 92 32.453 -4.336 1.245 1.00 17.31 102L 820 ATOM 727 OD1 ASP 92 31.687 -3.841 0.316 1.00 19.88 102L 821 ATOM 728 OD2 ASP 92 33.551 -3.863 1.606 1.00 17.12 102L 822 ATOM 729 N ALA 93 32.420 -5.011 4.878 1.00 13.64 102L 823 ATOM 730 CA ALA 93 33.120 -4.407 5.979 1.00 12.75 102L 824 ATOM 731 C ALA 93 34.013 -3.209 5.631 1.00 13.28 102L 825 ATOM 732 O ALA 93 34.044 -2.225 6.401 1.00 17.02 102L 826 ATOM 733 CB ALA 93 33.784 -5.429 6.943 1.00 14.03 102L 827 ATOM 734 N VAL 94 34.716 -3.276 4.497 1.00 11.99 102L 828 ATOM 735 CA VAL 94 35.593 -2.186 4.133 1.00 12.23 102L 829 ATOM 736 C VAL 94 34.828 -0.921 3.787 1.00 14.90 102L 830 ATOM 737 O VAL 94 35.066 0.158 4.293 1.00 15.44 102L 831 ATOM 738 CB VAL 94 36.542 -2.648 3.063 1.00 17.84 102L 832 ATOM 739 CG1 VAL 94 37.534 -1.541 2.775 1.00 13.16 102L 833 ATOM 740 CG2 VAL 94 37.310 -3.751 3.719 1.00 16.03 102L 834 ATOM 741 N ARG 95 33.855 -1.074 2.938 1.00 15.37 102L 835 ATOM 742 CA ARG 95 33.083 0.083 2.584 1.00 11.67 102L 836 ATOM 743 C ARG 95 32.337 0.677 3.750 1.00 14.05 102L 837 ATOM 744 O ARG 95 32.135 1.882 3.779 1.00 13.31 102L 838 ATOM 745 CB ARG 95 32.214 -0.255 1.396 1.00 12.67 102L 839 ATOM 746 CG ARG 95 33.035 -0.628 0.191 1.00 8.67 102L 840 ATOM 747 CD ARG 95 32.089 -0.848 -0.997 1.00 15.53 102L 841 ATOM 748 NE ARG 95 32.759 -0.970 -2.267 1.00 12.99 102L 842 ATOM 749 CZ ARG 95 33.154 -2.145 -2.806 1.00 16.72 102L 843 ATOM 750 NH1 ARG 95 33.019 -3.302 -2.167 1.00 17.07 102L 844 ATOM 751 NH2 ARG 95 33.754 -2.136 -4.013 1.00 13.47 102L 845 ATOM 752 N ARG 96 31.900 -0.150 4.735 1.00 10.69 102L 846 ATOM 753 CA ARG 96 31.200 0.392 5.926 1.00 13.73 102L 847 ATOM 754 C ARG 96 32.117 1.370 6.626 1.00 13.84 102L 848 ATOM 755 O ARG 96 31.696 2.416 7.051 1.00 12.80 102L 849 ATOM 756 CB ARG 96 30.720 -0.637 6.952 1.00 9.35 102L 850 ATOM 757 CG ARG 96 29.629 -1.487 6.382 1.00 11.15 102L 851 ATOM 758 CD ARG 96 29.204 -2.600 7.326 1.00 24.71 102L 852 ATOM 759 NE ARG 96 28.000 -3.264 6.835 1.00 17.50 102L 853 ATOM 760 CZ ARG 96 27.458 -4.352 7.321 1.00 29.09 102L 854 ATOM 761 NH1 ARG 96 27.995 -4.977 8.365 1.00 27.01 102L 855 ATOM 762 NH2 ARG 96 26.373 -4.851 6.708 1.00 11.86 102L 856 ATOM 763 N ALA 97 33.383 1.004 6.679 1.00 11.36 102L 857 ATOM 764 CA ALA 97 34.385 1.872 7.222 1.00 13.36 102L 858 ATOM 765 C ALA 97 34.465 3.206 6.445 1.00 9.93 102L 859 ATOM 766 O ALA 97 34.585 4.274 7.053 1.00 11.94 102L 860 ATOM 767 CB ALA 97 35.739 1.161 7.218 1.00 12.64 102L 861 ATOM 768 N ALA 98 34.387 3.193 5.108 1.00 16.06 102L 862 ATOM 769 CA ALA 98 34.444 4.442 4.388 1.00 16.82 102L 863 ATOM 770 C ALA 98 33.259 5.333 4.717 1.00 12.30 102L 864 ATOM 771 O ALA 98 33.369 6.560 4.763 1.00 12.15 102L 865 ATOM 772 CB ALA 98 34.538 4.221 2.889 1.00 14.10 102L 866 ATOM 773 N LEU 99 32.095 4.713 4.968 1.00 8.00 102L 867 ATOM 774 CA LEU 99 30.927 5.509 5.308 1.00 5.74 102L 868 ATOM 775 C LEU 99 31.057 6.074 6.700 1.00 11.93 102L 869 ATOM 776 O LEU 99 30.649 7.200 6.951 1.00 10.04 102L 870 ATOM 777 CB LEU 99 29.614 4.661 5.197 1.00 9.92 102L 871 ATOM 778 CG LEU 99 28.307 5.438 5.355 1.00 8.37 102L 872 ATOM 779 CD1 LEU 99 28.051 6.270 4.146 1.00 17.73 102L 873 ATOM 780 CD2 LEU 99 27.159 4.416 5.465 1.00 16.88 102L 874 ATOM 781 N ILE 100 31.634 5.312 7.621 1.00 7.36 102L 875 ATOM 782 CA ILE 100 31.822 5.825 8.930 1.00 9.58 102L 876 ATOM 783 C ILE 100 32.777 7.033 8.858 1.00 14.81 102L 877 ATOM 784 O ILE 100 32.631 8.064 9.528 1.00 11.71 102L 878 ATOM 785 CB ILE 100 32.350 4.750 9.854 1.00 10.49 102L 879 ATOM 786 CG1 ILE 100 31.331 3.584 10.022 1.00 8.75 102L 880 ATOM 787 CG2 ILE 100 32.757 5.388 11.195 1.00 10.22 102L 881 ATOM 788 CD1 ILE 100 31.942 2.398 10.770 1.00 6.42 102L 882 ATOM 789 N ASN 101 33.773 6.944 7.998 1.00 12.01 102L 883 ATOM 790 CA ASN 101 34.706 8.049 7.890 1.00 11.92 102L 884 ATOM 791 C ASN 101 34.024 9.317 7.447 1.00 12.11 102L 885 ATOM 792 O ASN 101 34.228 10.382 8.059 1.00 11.85 102L 886 ATOM 793 CB ASN 101 35.782 7.646 6.894 1.00 9.73 102L 887 ATOM 794 CG ASN 101 36.993 8.567 6.814 1.00 15.46 102L 888 ATOM 795 OD1 ASN 101 36.848 9.768 6.620 1.00 15.84 102L 889 ATOM 796 ND2 ASN 101 38.177 7.983 6.918 1.00 9.11 102L 890 ATOM 797 N MET 102 33.244 9.217 6.364 1.00 8.87 102L 891 ATOM 798 CA MET 102 32.574 10.407 5.911 1.00 17.96 102L 892 ATOM 799 C MET 102 31.703 10.988 7.041 1.00 25.03 102L 893 ATOM 800 O MET 102 31.605 12.212 7.209 1.00 12.85 102L 894 ATOM 801 CB MET 102 31.642 10.128 4.714 1.00 16.90 102L 895 ATOM 802 CG MET 102 32.348 9.824 3.412 1.00 17.35 102L 896 ATOM 803 SD MET 102 31.151 9.640 2.048 1.00 20.22 102L 897 ATOM 804 CE MET 102 30.637 11.361 1.847 1.00 16.02 102L 898 ATOM 805 N VAL 103 30.991 10.082 7.770 1.00 12.09 102L 899 ATOM 806 CA VAL 103 30.129 10.528 8.849 1.00 12.44 102L 900 ATOM 807 C VAL 103 30.908 11.220 9.945 1.00 15.71 102L 901 ATOM 808 O VAL 103 30.468 12.229 10.480 1.00 17.43 102L 902 ATOM 809 CB VAL 103 29.184 9.457 9.379 1.00 14.83 102L 903 ATOM 810 CG1 VAL 103 28.396 10.024 10.565 1.00 15.30 102L 904 ATOM 811 CG2 VAL 103 28.191 9.051 8.295 1.00 11.85 102L 905 ATOM 812 N PHE 104 32.076 10.692 10.263 1.00 14.64 102L 906 ATOM 813 CA PHE 104 32.869 11.292 11.298 1.00 10.30 102L 907 ATOM 814 C PHE 104 33.294 12.708 10.897 1.00 11.21 102L 908 ATOM 815 O PHE 104 33.273 13.662 11.652 1.00 15.44 102L 909 ATOM 816 CB PHE 104 34.087 10.388 11.429 1.00 13.82 102L 910 ATOM 817 CG PHE 104 35.010 10.789 12.543 1.00 11.55 102L 911 ATOM 818 CD1 PHE 104 35.981 11.761 12.332 1.00 12.22 102L 912 ATOM 819 CD2 PHE 104 34.985 10.127 13.771 1.00 12.10 102L 913 ATOM 820 CE1 PHE 104 36.864 12.117 13.352 1.00 14.96 102L 914 ATOM 821 CE2 PHE 104 35.868 10.455 14.796 1.00 12.74 102L 915 ATOM 822 CZ PHE 104 36.828 11.447 14.576 1.00 12.94 102L 916 ATOM 823 N GLN 105 33.682 12.867 9.657 1.00 12.76 102L 917 ATOM 824 CA GLN 105 34.145 14.172 9.178 1.00 16.70 102L 918 ATOM 825 C GLN 105 33.050 15.220 9.003 1.00 18.05 102L 919 ATOM 826 O GLN 105 33.212 16.375 9.341 1.00 20.67 102L 920 ATOM 827 CB GLN 105 34.815 13.967 7.785 1.00 16.02 102L 921 ATOM 828 CG GLN 105 35.385 15.280 7.171 1.00 20.22 102L 922 ATOM 829 CD GLN 105 36.108 15.140 5.843 1.00 16.12 102L 923 ATOM 830 OE1 GLN 105 36.130 14.060 5.241 1.00 17.14 102L 924 ATOM 831 NE2 GLN 105 36.743 16.236 5.393 1.00 15.60 102L 925 ATOM 832 N MET 106 31.964 14.801 8.383 1.00 18.48 102L 926 ATOM 833 CA MET 106 30.906 15.688 7.982 1.00 26.87 102L 927 ATOM 834 C MET 106 29.572 15.635 8.692 1.00 25.37 102L 928 ATOM 835 O MET 106 28.690 16.461 8.487 1.00 26.73 102L 929 ATOM 836 CB MET 106 30.859 15.890 6.450 1.00 25.90 102L 930 ATOM 837 CG MET 106 30.205 14.862 5.571 1.00 33.88 102L 931 ATOM 838 SD MET 106 30.686 15.219 3.855 1.00 37.47 102L 932 ATOM 839 CE MET 106 32.164 14.199 3.743 1.00 40.94 102L 933 ATOM 840 N GLY 107 29.380 14.666 9.523 1.00 14.16 102L 934 ATOM 841 CA GLY 107 28.118 14.665 10.161 1.00 13.18 102L 935 ATOM 842 C GLY 107 27.101 13.889 9.384 1.00 13.65 102L 936 ATOM 843 O GLY 107 27.106 13.779 8.176 1.00 17.43 102L 937 ATOM 844 N GLU 108 26.241 13.308 10.140 1.00 19.07 102L 938 ATOM 845 CA GLU 108 25.215 12.468 9.632 1.00 21.13 102L 939 ATOM 846 C GLU 108 24.322 13.227 8.672 1.00 26.92 102L 940 ATOM 847 O GLU 108 23.877 12.766 7.611 1.00 21.11 102L 941 ATOM 848 CB GLU 108 24.514 11.911 10.905 1.00 21.79 102L 942 ATOM 849 CG GLU 108 23.260 11.097 10.674 1.00 59.51 102L 943 ATOM 850 CD GLU 108 22.507 11.033 11.949 1.00 94.11 102L 944 ATOM 851 OE1 GLU 108 23.314 11.064 12.979 1.00 69.99 102L 945 ATOM 852 OE2 GLU 108 21.284 10.972 12.007 1.00 66.47 102L 946 ATOM 853 N THR 109 24.055 14.456 9.036 1.00 35.78 102L 947 ATOM 854 CA THR 109 23.219 15.238 8.185 1.00 22.12 102L 948 ATOM 855 C THR 109 23.902 15.521 6.870 1.00 43.21 102L 949 ATOM 856 O THR 109 23.257 15.498 5.817 1.00 28.10 102L 950 ATOM 857 CB THR 109 22.763 16.547 8.873 1.00 31.22 102L 951 ATOM 858 OG1 THR 109 21.968 16.193 9.976 1.00 44.82 102L 952 ATOM 859 CG2 THR 109 21.933 17.367 7.890 1.00 40.05 102L 953 ATOM 860 N GLY 110 25.203 15.813 6.949 1.00 24.96 102L 954 ATOM 861 CA GLY 110 25.949 16.111 5.748 1.00 20.79 102L 955 ATOM 862 C GLY 110 25.970 14.917 4.814 1.00 28.72 102L 956 ATOM 863 O GLY 110 25.692 15.084 3.622 1.00 24.83 102L 957 ATOM 864 N VAL 111 26.301 13.718 5.367 1.00 19.44 102L 958 ATOM 865 CA VAL 111 26.375 12.555 4.490 1.00 17.92 102L 959 ATOM 866 C VAL 111 25.033 12.186 3.872 1.00 22.93 102L 960 ATOM 867 O VAL 111 24.919 11.796 2.707 1.00 15.51 102L 961 ATOM 868 CB VAL 111 27.000 11.400 5.197 1.00 18.25 102L 962 ATOM 869 CG1 VAL 111 27.018 10.268 4.179 1.00 11.22 102L 963 ATOM 870 CG2 VAL 111 28.414 11.849 5.559 1.00 16.14 102L 964 ATOM 871 N ALA 112 24.004 12.308 4.693 1.00 21.49 102L 965 ATOM 872 CA ALA 112 22.643 12.004 4.286 1.00 18.29 102L 966 ATOM 873 C ALA 112 22.212 12.781 3.021 1.00 44.74 102L 967 ATOM 874 O ALA 112 21.336 12.340 2.252 1.00 29.99 102L 968 ATOM 875 CB ALA 112 21.654 12.122 5.471 1.00 22.93 102L 969 ATOM 876 N GLY 113 22.882 13.917 2.761 1.00 25.37 102L 970 ATOM 877 CA GLY 113 22.600 14.746 1.574 1.00 38.37 102L 971 ATOM 878 C GLY 113 23.208 14.284 0.243 1.00 46.09 102L 972 ATOM 879 O GLY 113 22.964 14.846 -0.838 1.00 41.77 102L 973 ATOM 880 N PHE 114 24.051 13.273 0.296 1.00 20.66 102L 974 ATOM 881 CA PHE 114 24.644 12.773 -0.918 1.00 14.78 102L 975 ATOM 882 C PHE 114 23.682 11.725 -1.412 1.00 19.78 102L 976 ATOM 883 O PHE 114 23.978 10.576 -1.601 1.00 16.19 102L 977 ATOM 884 CB PHE 114 26.041 12.192 -0.633 1.00 19.30 102L 978 ATOM 885 CG PHE 114 27.195 13.184 -0.386 1.00 24.87 102L 979 ATOM 886 CD1 PHE 114 27.206 14.092 0.666 1.00 31.09 102L 980 ATOM 887 CD2 PHE 114 28.301 13.208 -1.244 1.00 27.92 102L 981 ATOM 888 CE1 PHE 114 28.265 14.987 0.865 1.00 24.83 102L 982 ATOM 889 CE2 PHE 114 29.377 14.089 -1.070 1.00 26.33 102L 983 ATOM 890 CZ PHE 114 29.343 15.002 -0.023 1.00 27.41 102L 984 ATOM 891 N THR 115 22.483 12.154 -1.573 1.00 16.64 102L 985 ATOM 892 CA THR 115 21.414 11.290 -1.971 1.00 14.45 102L 986 ATOM 893 C THR 115 21.773 10.395 -3.122 1.00 23.36 102L 987 ATOM 894 O THR 115 21.541 9.185 -3.135 1.00 17.73 102L 988 ATOM 895 CB THR 115 20.200 12.141 -2.449 1.00 29.15 102L 989 ATOM 896 OG1 THR 115 19.778 13.001 -1.431 1.00 41.72 102L 990 ATOM 897 CG2 THR 115 19.046 11.247 -2.864 1.00 44.66 102L 991 ATOM 898 N ASN 116 22.253 11.025 -4.159 1.00 17.58 102L 992 ATOM 899 CA ASN 116 22.564 10.272 -5.359 1.00 20.45 102L 993 ATOM 900 C ASN 116 23.683 9.256 -5.168 1.00 18.67 102L 994 ATOM 901 O ASN 116 23.583 8.133 -5.662 1.00 17.59 102L 995 ATOM 902 CB ASN 116 22.781 11.143 -6.638 1.00 35.70 102L 996 ATOM 903 CG ASN 116 21.584 12.010 -7.008 1.00 39.35 102L 997 ATOM 904 OD1 ASN 116 20.443 11.578 -6.884 1.00 34.72 102L 998 ATOM 905 ND2 ASN 116 21.817 13.247 -7.422 1.00 30.21 102L 999 ATOM 906 N SER 117 24.745 9.673 -4.489 1.00 17.34 102L1000 ATOM 907 CA SER 117 25.837 8.759 -4.263 1.00 12.93 102L1001 ATOM 908 C SER 117 25.362 7.585 -3.442 1.00 16.14 102L1002 ATOM 909 O SER 117 25.728 6.487 -3.724 1.00 18.38 102L1003 ATOM 910 CB SER 117 26.938 9.410 -3.485 1.00 14.14 102L1004 ATOM 911 OG SER 117 27.296 10.585 -4.151 1.00 24.02 102L1005 ATOM 912 N LEU 118 24.584 7.869 -2.409 1.00 17.06 102L1006 ATOM 913 CA LEU 118 24.033 6.857 -1.523 1.00 16.03 102L1007 ATOM 914 C LEU 118 23.255 5.800 -2.277 1.00 19.61 102L1008 ATOM 915 O LEU 118 23.322 4.606 -1.992 1.00 16.36 102L1009 ATOM 916 CB LEU 118 23.191 7.450 -0.361 1.00 24.00 102L1010 ATOM 917 CG LEU 118 23.976 8.392 0.599 1.00 20.41 102L1011 ATOM 918 CD1 LEU 118 23.046 8.998 1.620 1.00 12.47 102L1012 ATOM 919 CD2 LEU 118 25.064 7.646 1.367 1.00 18.60 102L1013 ATOM 920 N ARG 119 22.473 6.250 -3.222 1.00 15.66 102L1014 ATOM 921 CA ARG 119 21.680 5.292 -3.965 1.00 17.62 102L1015 ATOM 922 C ARG 119 22.574 4.438 -4.831 1.00 16.45 102L1016 ATOM 923 O ARG 119 22.337 3.249 -5.007 1.00 20.45 102L1017 ATOM 924 CB ARG 119 20.634 6.045 -4.756 1.00 24.49 102L1018 ATOM 925 CG ARG 119 19.862 5.229 -5.775 1.00 40.26 102L1019 ATOM 926 CD ARG 119 19.112 6.108 -6.790 1.00 94.67 102L1020 ATOM 927 NE ARG 119 19.802 6.260 -8.085 1.00100.00 102L1021 ATOM 928 CZ ARG 119 20.369 7.401 -8.528 1.00100.00 102L1022 ATOM 929 NH1 ARG 119 20.340 8.541 -7.819 1.00100.00 102L1023 ATOM 930 NH2 ARG 119 20.967 7.387 -9.733 1.00100.00 102L1024 ATOM 931 N MET 120 23.653 5.056 -5.371 1.00 11.89 102L1025 ATOM 932 CA MET 120 24.529 4.265 -6.182 1.00 14.24 102L1026 ATOM 933 C MET 120 25.309 3.297 -5.329 1.00 19.32 102L1027 ATOM 934 O MET 120 25.660 2.222 -5.777 1.00 20.66 102L1028 ATOM 935 CB MET 120 25.518 5.098 -7.021 1.00 13.26 102L1029 ATOM 936 CG MET 120 24.812 5.882 -8.121 1.00 34.94 102L1030 ATOM 937 SD MET 120 25.950 7.124 -8.703 1.00 34.29 102L1031 ATOM 938 CE MET 120 24.874 8.369 -9.454 1.00 36.65 102L1032 ATOM 939 N LEU 121 25.624 3.680 -4.114 1.00 17.21 102L1033 ATOM 940 CA LEU 121 26.392 2.742 -3.281 1.00 10.30 102L1034 ATOM 941 C LEU 121 25.490 1.536 -2.941 1.00 19.89 102L1035 ATOM 942 O LEU 121 25.887 0.385 -2.982 1.00 16.16 102L1036 ATOM 943 CB LEU 121 26.871 3.449 -2.014 1.00 10.87 102L1037 ATOM 944 CG LEU 121 28.041 4.413 -2.267 1.00 19.30 102L1038 ATOM 945 CD1 LEU 121 28.314 5.225 -0.999 1.00 17.94 102L1039 ATOM 946 CD2 LEU 121 29.281 3.645 -2.616 1.00 14.40 102L1040 ATOM 947 N GLN 122 24.241 1.824 -2.648 1.00 10.10 102L1041 ATOM 948 CA GLN 122 23.352 0.790 -2.330 1.00 12.38 102L1042 ATOM 949 C GLN 122 23.198 -0.204 -3.496 1.00 23.58 102L1043 ATOM 950 O GLN 122 23.120 -1.442 -3.308 1.00 26.28 102L1044 ATOM 951 CB GLN 122 22.023 1.431 -1.891 1.00 14.12 102L1045 ATOM 952 CG GLN 122 21.160 0.304 -1.332 1.00 29.28 102L1046 ATOM 953 CD GLN 122 19.989 0.761 -0.526 1.00100.00 102L1047 ATOM 954 OE1 GLN 122 19.867 1.956 -0.252 1.00 37.82 102L1048 ATOM 955 NE2 GLN 122 19.145 -0.199 -0.139 1.00100.00 102L1049 ATOM 956 N GLN 123 23.192 0.327 -4.733 1.00 20.89 102L1050 ATOM 957 CA GLN 123 23.066 -0.504 -5.939 1.00 16.26 102L1051 ATOM 958 C GLN 123 24.363 -1.180 -6.368 1.00 27.11 102L1052 ATOM 959 O GLN 123 24.359 -1.896 -7.349 1.00 28.81 102L1053 ATOM 960 CB GLN 123 22.528 0.281 -7.153 1.00 18.19 102L1054 ATOM 961 CG GLN 123 21.185 0.966 -6.871 1.00 19.93 102L1055 ATOM 962 CD GLN 123 20.699 1.713 -8.087 1.00 31.47 102L1056 ATOM 963 OE1 GLN 123 20.212 1.113 -9.052 1.00 97.91 102L1057 ATOM 964 NE2 GLN 123 20.921 3.020 -8.098 1.00 56.01 102L1058 ATOM 965 N LYS 124 25.472 -0.909 -5.661 1.00 14.58 102L1059 ATOM 966 CA LYS 124 26.775 -1.493 -5.940 1.00 9.37 102L1060 ATOM 967 C LYS 124 27.362 -1.029 -7.254 1.00 22.17 102L1061 ATOM 968 O LYS 124 28.074 -1.755 -7.955 1.00 19.80 102L1062 ATOM 969 CB LYS 124 26.896 -3.010 -5.711 1.00 18.90 102L1063 ATOM 970 CG LYS 124 26.415 -3.386 -4.304 1.00 18.86 102L1064 ATOM 971 CD LYS 124 26.832 -4.768 -3.864 1.00 14.29 102L1065 ATOM 972 CE LYS 124 26.306 -5.138 -2.486 1.00 12.62 102L1066 ATOM 973 NZ LYS 124 26.782 -4.236 -1.454 1.00 24.52 102L1067 ATOM 974 N ARG 125 27.063 0.215 -7.602 1.00 17.51 102L1068 ATOM 975 CA ARG 125 27.599 0.775 -8.842 1.00 14.87 102L1069 ATOM 976 C ARG 125 28.811 1.588 -8.434 1.00 16.40 102L1070 ATOM 977 O ARG 125 28.718 2.813 -8.275 1.00 19.06 102L1071 ATOM 978 CB ARG 125 26.532 1.682 -9.431 1.00 13.92 102L1072 ATOM 979 CG ARG 125 25.350 0.910 -10.061 1.00 24.71 102L1073 ATOM 980 CD ARG 125 24.245 1.897 -10.494 1.00 22.73 102L1074 ATOM 981 NE ARG 125 23.437 1.592 -11.682 1.00 77.13 102L1075 ATOM 982 CZ ARG 125 22.440 0.688 -11.749 1.00100.00 102L1076 ATOM 983 NH1 ARG 125 22.132 -0.095 -10.716 1.00100.00 102L1077 ATOM 984 NH2 ARG 125 21.749 0.562 -12.893 1.00 59.78 102L1078 ATOM 985 N TRP 126 29.901 0.882 -8.184 1.00 21.10 102L1079 ATOM 986 CA TRP 126 31.105 1.441 -7.625 1.00 17.57 102L1080 ATOM 987 C TRP 126 31.758 2.603 -8.370 1.00 23.23 102L1081 ATOM 988 O TRP 126 32.055 3.641 -7.792 1.00 18.03 102L1082 ATOM 989 CB TRP 126 32.120 0.397 -7.070 1.00 14.90 102L1083 ATOM 990 CG TRP 126 31.500 -0.753 -6.323 1.00 18.83 102L1084 ATOM 991 CD1 TRP 126 31.612 -2.067 -6.671 1.00 12.53 102L1085 ATOM 992 CD2 TRP 126 30.679 -0.730 -5.161 1.00 18.44 102L1086 ATOM 993 NE1 TRP 126 30.960 -2.850 -5.813 1.00 13.77 102L1087 ATOM 994 CE2 TRP 126 30.378 -2.072 -4.844 1.00 15.79 102L1088 ATOM 995 CE3 TRP 126 30.203 0.277 -4.324 1.00 14.67 102L1089 ATOM 996 CZ2 TRP 126 29.600 -2.424 -3.732 1.00 19.40 102L1090 ATOM 997 CZ3 TRP 126 29.411 -0.075 -3.231 1.00 12.24 102L1091 ATOM 998 CH2 TRP 126 29.115 -1.418 -2.939 1.00 15.01 102L1092 ATOM 999 N ASP 127 32.014 2.410 -9.633 1.00 18.14 102L1093 ATOM 1000 CA ASP 127 32.632 3.444 -10.422 1.00 20.66 102L1094 ATOM 1001 C ASP 127 31.713 4.664 -10.542 1.00 29.84 102L1095 ATOM 1002 O ASP 127 32.145 5.802 -10.477 1.00 20.25 102L1096 ATOM 1003 CB ASP 127 33.187 2.865 -11.746 1.00 17.25 102L1097 ATOM 1004 CG ASP 127 34.401 1.895 -11.550 1.00 23.66 102L1098 ATOM 1005 OD1 ASP 127 34.516 1.097 -10.626 1.00 67.58 102L1099 ATOM 1006 OD2 ASP 127 35.355 2.073 -12.414 1.00 61.70 102L1100 ATOM 1007 N GLU 128 30.402 4.455 -10.616 1.00 16.70 102L1101 ATOM 1008 CA GLU 128 29.573 5.614 -10.745 1.00 14.66 102L1102 ATOM 1009 C GLU 128 29.464 6.397 -9.473 1.00 21.23 102L1103 ATOM 1010 O GLU 128 29.400 7.606 -9.514 1.00 19.56 102L1104 ATOM 1011 CB GLU 128 28.220 5.268 -11.332 1.00 23.78 102L1105 ATOM 1012 CG GLU 128 28.463 4.212 -12.432 1.00 31.56 102L1106 ATOM 1013 CD GLU 128 27.219 3.561 -12.949 1.00100.00 102L1107 ATOM 1014 OE1 GLU 128 26.155 4.319 -12.842 1.00 65.42 102L1108 ATOM 1015 OE2 GLU 128 27.213 2.458 -13.453 1.00100.00 102L1109 ATOM 1016 N ALA 129 29.395 5.704 -8.362 1.00 18.40 102L1110 ATOM 1017 CA ALA 129 29.309 6.390 -7.091 1.00 12.89 102L1111 ATOM 1018 C ALA 129 30.573 7.216 -6.882 1.00 10.59 102L1112 ATOM 1019 O ALA 129 30.516 8.330 -6.365 1.00 18.27 102L1113 ATOM 1020 CB ALA 129 29.137 5.381 -5.966 1.00 12.26 102L1114 ATOM 1021 N ALA 130 31.701 6.700 -7.295 1.00 14.41 102L1115 ATOM 1022 CA ALA 130 32.962 7.433 -7.106 1.00 12.85 102L1116 ATOM 1023 C ALA 130 33.012 8.741 -7.860 1.00 25.16 102L1117 ATOM 1024 O ALA 130 33.538 9.755 -7.402 1.00 20.28 102L1118 ATOM 1025 CB ALA 130 34.139 6.578 -7.501 1.00 10.82 102L1119 ATOM 1026 N VAL 131 32.464 8.694 -9.051 1.00 16.01 102L1120 ATOM 1027 CA VAL 131 32.414 9.849 -9.890 1.00 18.35 102L1121 ATOM 1028 C VAL 131 31.524 10.898 -9.262 1.00 17.31 102L1122 ATOM 1029 O VAL 131 31.920 12.055 -9.141 1.00 21.64 102L1123 ATOM 1030 CB VAL 131 31.982 9.554 -11.331 1.00 24.98 102L1124 ATOM 1031 CG1 VAL 131 31.570 10.859 -11.981 1.00 29.68 102L1125 ATOM 1032 CG2 VAL 131 33.144 8.964 -12.121 1.00 19.51 102L1126 ATOM 1033 N ASN 132 30.336 10.472 -8.805 1.00 14.41 102L1127 ATOM 1034 CA ASN 132 29.401 11.347 -8.135 1.00 10.59 102L1128 ATOM 1035 C ASN 132 29.955 11.906 -6.839 1.00 16.17 102L1129 ATOM 1036 O ASN 132 29.759 13.059 -6.485 1.00 15.37 102L1130 ATOM 1037 CB ASN 132 28.089 10.584 -7.807 1.00 15.01 102L1131 ATOM 1038 CG ASN 132 26.967 11.504 -7.401 1.00 15.62 102L1132 ATOM 1039 OD1 ASN 132 26.652 11.691 -6.212 1.00 18.03 102L1133 ATOM 1040 ND2 ASN 132 26.377 12.149 -8.415 1.00 20.90 102L1134 ATOM 1041 N LEU 133 30.617 11.068 -6.062 1.00 11.52 102L1135 ATOM 1042 CA LEU 133 31.116 11.577 -4.795 1.00 9.35 102L1136 ATOM 1043 C LEU 133 32.084 12.746 -5.009 1.00 19.45 102L1137 ATOM 1044 O LEU 133 32.139 13.670 -4.214 1.00 18.90 102L1138 ATOM 1045 CB LEU 133 31.819 10.441 -4.033 1.00 9.94 102L1139 ATOM 1046 CG LEU 133 30.869 9.457 -3.271 1.00 14.67 102L1140 ATOM 1047 CD1 LEU 133 31.622 8.143 -2.952 1.00 15.38 102L1141 ATOM 1048 CD2 LEU 133 30.316 10.112 -2.003 1.00 15.19 102L1142 ATOM 1049 N ALA 134 32.839 12.681 -6.114 1.00 15.42 102L1143 ATOM 1050 CA ALA 134 33.860 13.714 -6.421 1.00 12.43 102L1144 ATOM 1051 C ALA 134 33.276 15.077 -6.758 1.00 17.49 102L1145 ATOM 1052 O ALA 134 33.960 16.072 -6.684 1.00 17.09 102L1146 ATOM 1053 CB ALA 134 34.822 13.191 -7.502 1.00 12.50 102L1147 ATOM 1054 N LYS 135 32.017 15.134 -7.131 1.00 19.37 102L1148 ATOM 1055 CA LYS 135 31.395 16.432 -7.464 1.00 15.19 102L1149 ATOM 1056 C LYS 135 30.767 17.037 -6.240 1.00 16.43 102L1150 ATOM 1057 O LYS 135 29.546 17.073 -6.063 1.00 20.65 102L1151 ATOM 1058 CB LYS 135 30.310 16.220 -8.482 1.00 14.75 102L1152 ATOM 1059 CG LYS 135 30.849 15.506 -9.695 1.00 16.00 102L1153 ATOM 1060 CD LYS 135 29.732 15.312 -10.698 1.00 34.63 102L1154 ATOM 1061 CE LYS 135 30.257 14.888 -12.053 1.00 43.31 102L1155 ATOM 1062 NZ LYS 135 29.387 13.885 -12.677 1.00100.00 102L1156 ATOM 1063 N SER 136 31.614 17.460 -5.344 1.00 11.10 102L1157 ATOM 1064 CA SER 136 31.134 17.955 -4.098 1.00 14.26 102L1158 ATOM 1065 C SER 136 32.145 18.956 -3.574 1.00 15.64 102L1159 ATOM 1066 O SER 136 33.329 18.936 -3.926 1.00 18.86 102L1160 ATOM 1067 CB SER 136 31.047 16.771 -3.114 1.00 11.35 102L1161 ATOM 1068 OG SER 136 32.338 16.138 -2.989 1.00 15.17 102L1162 ATOM 1069 N ARG 137 31.691 19.788 -2.697 1.00 10.94 102L1163 ATOM 1070 CA ARG 137 32.576 20.706 -2.054 1.00 16.44 102L1164 ATOM 1071 C ARG 137 33.617 19.935 -1.247 1.00 15.90 102L1165 ATOM 1072 O ARG 137 34.799 20.305 -1.153 1.00 16.98 102L1166 ATOM 1073 CB ARG 137 31.722 21.524 -1.087 1.00 21.65 102L1167 ATOM 1074 CG ARG 137 32.601 22.509 -0.296 1.00 18.44 102L1168 ATOM 1075 CD ARG 137 31.855 23.328 0.758 1.00 22.70 102L1169 ATOM 1076 NE ARG 137 32.596 24.499 1.225 1.00 37.28 102L1170 ATOM 1077 CZ ARG 137 33.426 24.481 2.270 1.00 51.87 102L1171 ATOM 1078 NH1 ARG 137 33.641 23.375 2.989 1.00 34.71 102L1172 ATOM 1079 NH2 ARG 137 34.060 25.609 2.596 1.00 76.46 102L1173 ATOM 1080 N TRP 138 33.137 18.841 -0.620 1.00 14.49 102L1174 ATOM 1081 CA TRP 138 33.923 17.930 0.182 1.00 9.50 102L1175 ATOM 1082 C TRP 138 35.192 17.529 -0.565 1.00 13.37 102L1176 ATOM 1083 O TRP 138 36.289 17.683 -0.084 1.00 13.99 102L1177 ATOM 1084 CB TRP 138 33.102 16.662 0.520 1.00 16.91 102L1178 ATOM 1085 CG TRP 138 33.903 15.523 1.072 1.00 17.14 102L1179 ATOM 1086 CD1 TRP 138 34.607 15.542 2.238 1.00 14.15 102L1180 ATOM 1087 CD2 TRP 138 33.991 14.169 0.566 1.00 8.04 102L1181 ATOM 1088 NE1 TRP 138 35.159 14.305 2.502 1.00 18.16 102L1182 ATOM 1089 CE2 TRP 138 34.779 13.422 1.497 1.00 13.32 102L1183 ATOM 1090 CE3 TRP 138 33.459 13.548 -0.549 1.00 8.90 102L1184 ATOM 1091 CZ2 TRP 138 35.090 12.066 1.309 1.00 13.57 102L1185 ATOM 1092 CZ3 TRP 138 33.778 12.204 -0.723 1.00 12.28 102L1186 ATOM 1093 CH2 TRP 138 34.542 11.463 0.210 1.00 11.90 102L1187 ATOM 1094 N TYR 139 35.048 17.046 -1.789 1.00 10.08 102L1188 ATOM 1095 CA TYR 139 36.211 16.646 -2.548 1.00 10.34 102L1189 ATOM 1096 C TYR 139 37.101 17.836 -2.907 1.00 28.02 102L1190 ATOM 1097 O TYR 139 38.334 17.742 -2.924 1.00 15.40 102L1191 ATOM 1098 CB TYR 139 35.713 16.042 -3.849 1.00 14.15 102L1192 ATOM 1099 CG TYR 139 36.793 15.608 -4.770 1.00 19.26 102L1193 ATOM 1100 CD1 TYR 139 37.315 14.330 -4.602 1.00 18.41 102L1194 ATOM 1101 CD2 TYR 139 37.197 16.380 -5.863 1.00 19.66 102L1195 ATOM 1102 CE1 TYR 139 38.252 13.812 -5.487 1.00 23.76 102L1196 ATOM 1103 CE2 TYR 139 38.149 15.880 -6.753 1.00 37.63 102L1197 ATOM 1104 CZ TYR 139 38.674 14.597 -6.560 1.00 49.53 102L1198 ATOM 1105 OH TYR 139 39.608 14.083 -7.427 1.00 60.38 102L1199 ATOM 1106 N ASN 140 36.453 18.958 -3.233 1.00 15.32 102L1200 ATOM 1107 CA ASN 140 37.229 20.153 -3.620 1.00 20.08 102L1201 ATOM 1108 C ASN 140 38.038 20.776 -2.479 1.00 15.74 102L1202 ATOM 1109 O ASN 140 39.159 21.296 -2.642 1.00 18.67 102L1203 ATOM 1110 CB ASN 140 36.369 21.177 -4.381 1.00 31.81 102L1204 ATOM 1111 CG ASN 140 36.067 20.679 -5.770 1.00 23.26 102L1205 ATOM 1112 OD1 ASN 140 34.955 20.198 -6.052 1.00 26.56 102L1206 ATOM 1113 ND2 ASN 140 37.094 20.698 -6.606 1.00 28.31 102L1207 ATOM 1114 N GLN 141 37.496 20.708 -1.300 1.00 10.93 102L1208 ATOM 1115 CA GLN 141 38.179 21.274 -0.138 1.00 16.38 102L1209 ATOM 1116 C GLN 141 39.240 20.383 0.477 1.00 29.20 102L1210 ATOM 1117 O GLN 141 40.240 20.900 0.941 1.00 22.26 102L1211 ATOM 1118 CB GLN 141 37.203 21.731 0.968 1.00 13.27 102L1212 ATOM 1119 CG GLN 141 36.210 22.754 0.390 1.00 30.18 102L1213 ATOM 1120 CD GLN 141 36.862 24.003 -0.182 1.00 52.04 102L1214 ATOM 1121 OE1 GLN 141 36.634 24.385 -1.359 1.00 31.51 102L1215 ATOM 1122 NE2 GLN 141 37.654 24.649 0.661 1.00 24.15 102L1216 ATOM 1123 N THR 142 38.998 19.057 0.552 1.00 17.32 102L1217 ATOM 1124 CA THR 142 39.966 18.113 1.134 1.00 9.26 102L1218 ATOM 1125 C THR 142 40.116 16.958 0.166 1.00 14.56 102L1219 ATOM 1126 O THR 142 39.756 15.813 0.438 1.00 15.55 102L1220 ATOM 1127 CB THR 142 39.512 17.574 2.507 1.00 22.35 102L1221 ATOM 1128 OG1 THR 142 38.182 17.061 2.386 1.00 16.87 102L1222 ATOM 1129 CG2 THR 142 39.507 18.718 3.501 1.00 14.10 102L1223 ATOM 1130 N PRO 143 40.674 17.281 -0.981 1.00 14.37 102L1224 ATOM 1131 CA PRO 143 40.844 16.300 -2.071 1.00 13.63 102L1225 ATOM 1132 C PRO 143 41.681 15.008 -1.757 1.00 13.98 102L1226 ATOM 1133 O PRO 143 41.370 13.901 -2.230 1.00 14.27 102L1227 ATOM 1134 CB PRO 143 41.422 17.119 -3.256 1.00 13.83 102L1228 ATOM 1135 CG PRO 143 42.096 18.351 -2.618 1.00 16.65 102L1229 ATOM 1136 CD PRO 143 41.435 18.538 -1.229 1.00 13.92 102L1230 ATOM 1137 N ASN 144 42.785 15.132 -1.027 1.00 7.45 102L1231 ATOM 1138 CA ASN 144 43.586 13.967 -0.766 1.00 10.82 102L1232 ATOM 1139 C ASN 144 42.828 12.926 0.089 1.00 17.97 102L1233 ATOM 1140 O ASN 144 42.868 11.720 -0.192 1.00 18.24 102L1234 ATOM 1141 CB ASN 144 44.969 14.324 -0.148 1.00 13.04 102L1235 ATOM 1142 CG ASN 144 45.959 15.039 -1.071 1.00 21.99 102L1236 ATOM 1143 OD1 ASN 144 46.011 14.804 -2.265 1.00 27.64 102L1237 ATOM 1144 ND2 ASN 144 46.791 15.876 -0.499 1.00 30.24 102L1238 ATOM 1145 N ARG 145 42.213 13.422 1.155 1.00 13.19 102L1239 ATOM 1146 CA ARG 145 41.418 12.608 2.037 1.00 16.28 102L1240 ATOM 1147 C ARG 145 40.188 12.095 1.269 1.00 12.23 102L1241 ATOM 1148 O ARG 145 39.852 10.891 1.266 1.00 18.05 102L1242 ATOM 1149 CB ARG 145 40.942 13.384 3.245 1.00 8.06 102L1243 ATOM 1150 CG ARG 145 39.815 12.621 3.974 1.00 17.52 102L1244 ATOM 1151 CD ARG 145 39.604 13.120 5.359 1.00 33.39 102L1245 ATOM 1152 NE ARG 145 38.745 12.253 6.137 1.00 18.59 102L1246 ATOM 1153 CZ ARG 145 38.556 12.656 7.346 1.00 19.12 102L1247 ATOM 1154 NH1 ARG 145 39.164 13.782 7.693 1.00 12.88 102L1248 ATOM 1155 NH2 ARG 145 37.775 11.968 8.173 1.00 8.96 102L1249 ATOM 1156 N ALA 146 39.493 13.030 0.596 1.00 11.42 102L1250 ATOM 1157 CA ALA 146 38.362 12.574 -0.174 1.00 10.15 102L1251 ATOM 1158 C ALA 146 38.776 11.435 -1.145 1.00 18.67 102L1252 ATOM 1159 O ALA 146 38.112 10.409 -1.213 1.00 12.53 102L1253 ATOM 1160 CB ALA 146 37.655 13.735 -0.885 1.00 18.09 102L1254 ATOM 1161 N LYS 147 39.870 11.572 -1.893 1.00 15.01 102L1255 ATOM 1162 CA LYS 147 40.297 10.518 -2.834 1.00 11.85 102L1256 ATOM 1163 C LYS 147 40.518 9.178 -2.170 1.00 16.29 102L1257 ATOM 1164 O LYS 147 40.216 8.116 -2.764 1.00 12.24 102L1258 ATOM 1165 CB LYS 147 41.573 10.906 -3.518 1.00 15.43 102L1259 ATOM 1166 CG LYS 147 41.297 11.766 -4.697 1.00 37.91 102L1260 ATOM 1167 CD LYS 147 42.577 12.306 -5.261 1.00 32.50 102L1261 ATOM 1168 CE LYS 147 42.330 13.604 -5.995 1.00 37.27 102L1262 ATOM 1169 NZ LYS 147 43.506 14.484 -6.020 1.00100.00 102L1263 ATOM 1170 N ARG 148 41.079 9.217 -0.956 1.00 10.94 102L1264 ATOM 1171 CA ARG 148 41.300 8.010 -0.195 1.00 16.36 102L1265 ATOM 1172 C ARG 148 39.974 7.328 0.129 1.00 19.07 102L1266 ATOM 1173 O ARG 148 39.835 6.129 -0.100 1.00 15.89 102L1267 ATOM 1174 CB ARG 148 42.064 8.251 1.107 1.00 14.88 102L1268 ATOM 1175 CG ARG 148 43.533 8.589 0.906 1.00 10.54 102L1269 ATOM 1176 CD ARG 148 44.330 8.400 2.160 1.00 15.81 102L1270 ATOM 1177 NE ARG 148 44.068 9.477 3.112 1.00 19.77 102L1271 ATOM 1178 CZ ARG 148 44.655 10.691 3.131 1.00 16.47 102L1272 ATOM 1179 NH1 ARG 148 45.594 11.035 2.212 1.00 15.75 102L1273 ATOM 1180 NH2 ARG 148 44.274 11.569 4.038 1.00 11.79 102L1274 ATOM 1181 N VAL 149 38.990 8.102 0.648 1.00 14.85 102L1275 ATOM 1182 CA VAL 149 37.689 7.507 1.003 1.00 9.24 102L1276 ATOM 1183 C VAL 149 36.969 6.937 -0.218 1.00 11.72 102L1277 ATOM 1184 O VAL 149 36.379 5.838 -0.206 1.00 15.58 102L1278 ATOM 1185 CB VAL 149 36.859 8.490 1.774 1.00 12.97 102L1279 ATOM 1186 CG1 VAL 149 35.444 7.989 1.953 1.00 12.65 102L1280 ATOM 1187 CG2 VAL 149 37.553 8.735 3.110 1.00 11.80 102L1281 ATOM 1188 N ILE 150 37.062 7.710 -1.307 1.00 12.19 102L1282 ATOM 1189 CA ILE 150 36.474 7.376 -2.606 1.00 13.74 102L1283 ATOM 1190 C ILE 150 37.068 6.123 -3.210 1.00 12.78 102L1284 ATOM 1191 O ILE 150 36.315 5.351 -3.777 1.00 16.48 102L1285 ATOM 1192 CB ILE 150 36.402 8.543 -3.655 1.00 11.55 102L1286 ATOM 1193 CG1 ILE 150 35.458 9.686 -3.211 1.00 11.86 102L1287 ATOM 1194 CG2 ILE 150 36.001 7.959 -5.027 1.00 18.72 102L1288 ATOM 1195 CD1 ILE 150 35.673 11.009 -3.917 1.00 10.71 102L1289 ATOM 1196 N THR 151 38.392 5.927 -3.080 1.00 15.30 102L1290 ATOM 1197 CA THR 151 39.075 4.738 -3.566 1.00 18.50 102L1291 ATOM 1198 C THR 151 38.626 3.529 -2.787 1.00 10.11 102L1292 ATOM 1199 O THR 151 38.473 2.466 -3.357 1.00 14.40 102L1293 ATOM 1200 CB THR 151 40.602 4.872 -3.564 1.00 16.03 102L1294 ATOM 1201 OG1 THR 151 40.929 5.779 -4.579 1.00 26.25 102L1295 ATOM 1202 CG2 THR 151 41.226 3.508 -3.880 1.00 19.01 102L1296 ATOM 1203 N THR 152 38.401 3.738 -1.495 1.00 11.07 102L1297 ATOM 1204 CA THR 152 37.907 2.726 -0.598 1.00 13.20 102L1298 ATOM 1205 C THR 152 36.515 2.201 -1.039 1.00 18.15 102L1299 ATOM 1206 O THR 152 36.254 0.964 -1.096 1.00 12.17 102L1300 ATOM 1207 CB THR 152 37.960 3.231 0.864 1.00 11.39 102L1301 ATOM 1208 OG1 THR 152 39.289 3.620 1.123 1.00 13.47 102L1302 ATOM 1209 CG2 THR 152 37.654 2.094 1.805 1.00 10.85 102L1303 ATOM 1210 N PHE 153 35.628 3.145 -1.393 1.00 12.34 102L1304 ATOM 1211 CA PHE 153 34.306 2.824 -1.876 1.00 11.77 102L1305 ATOM 1212 C PHE 153 34.413 2.143 -3.233 1.00 16.24 102L1306 ATOM 1213 O PHE 153 33.717 1.160 -3.536 1.00 20.62 102L1307 ATOM 1214 CB PHE 153 33.475 4.131 -2.001 1.00 10.58 102L1308 ATOM 1215 CG PHE 153 32.790 4.605 -0.731 1.00 16.14 102L1309 ATOM 1216 CD1 PHE 153 31.960 3.762 0.003 1.00 20.24 102L1310 ATOM 1217 CD2 PHE 153 32.882 5.927 -0.304 1.00 16.60 102L1311 ATOM 1218 CE1 PHE 153 31.280 4.202 1.130 1.00 12.32 102L1312 ATOM 1219 CE2 PHE 153 32.241 6.389 0.845 1.00 17.09 102L1313 ATOM 1220 CZ PHE 153 31.411 5.522 1.547 1.00 13.50 102L1314 ATOM 1221 N ARG 154 35.320 2.661 -4.087 1.00 16.49 102L1315 ATOM 1222 CA ARG 154 35.488 2.125 -5.426 1.00 11.85 102L1316 ATOM 1223 C ARG 154 35.955 0.687 -5.442 1.00 22.54 102L1317 ATOM 1224 O ARG 154 35.327 -0.136 -6.087 1.00 25.41 102L1318 ATOM 1225 CB ARG 154 36.364 2.958 -6.327 1.00 16.55 102L1319 ATOM 1226 CG ARG 154 35.890 2.997 -7.774 1.00 20.89 102L1320 ATOM 1227 CD ARG 154 36.984 3.413 -8.751 1.00 19.45 102L1321 ATOM 1228 NE ARG 154 38.275 3.610 -8.078 1.00100.00 102L1322 ATOM 1229 CZ ARG 154 39.342 2.815 -8.217 1.00100.00 102L1323 ATOM 1230 NH1 ARG 154 39.303 1.752 -9.021 1.00 62.48 102L1324 ATOM 1231 NH2 ARG 154 40.468 3.091 -7.534 1.00 63.99 102L1325 ATOM 1232 N THR 155 37.032 0.429 -4.704 1.00 21.28 102L1326 ATOM 1233 CA THR 155 37.684 -0.866 -4.631 1.00 20.58 102L1327 ATOM 1234 C THR 155 37.236 -1.826 -3.568 1.00 29.07 102L1328 ATOM 1235 O THR 155 37.421 -3.022 -3.762 1.00 24.58 102L1329 ATOM 1236 CB THR 155 39.214 -0.697 -4.511 1.00 16.66 102L1330 ATOM 1237 OG1 THR 155 39.558 -0.099 -3.276 1.00 20.23 102L1331 ATOM 1238 CG2 THR 155 39.673 0.174 -5.661 1.00 22.52 102L1332 ATOM 1239 N GLY 156 36.755 -1.336 -2.438 1.00 20.53 102L1333 ATOM 1240 CA GLY 156 36.402 -2.210 -1.346 1.00 14.28 102L1334 ATOM 1241 C GLY 156 37.653 -2.798 -0.724 1.00 18.32 102L1335 ATOM 1242 O GLY 156 37.624 -3.817 -0.047 1.00 17.82 102L1336 ATOM 1243 N THR 157 38.801 -2.146 -0.943 1.00 17.75 102L1337 ATOM 1244 CA THR 157 40.032 -2.607 -0.320 1.00 13.71 102L1338 ATOM 1245 C THR 157 40.653 -1.450 0.446 1.00 20.80 102L1339 ATOM 1246 O THR 157 40.233 -0.351 0.260 1.00 14.06 102L1340 ATOM 1247 CB THR 157 41.089 -2.938 -1.356 1.00 30.84 102L1341 ATOM 1248 OG1 THR 157 41.594 -1.708 -1.857 1.00 18.26 102L1342 ATOM 1249 CG2 THR 157 40.510 -3.803 -2.461 1.00 24.84 102L1343 ATOM 1250 N TRP 158 41.708 -1.678 1.214 1.00 15.08 102L1344 ATOM 1251 CA TRP 158 42.337 -0.615 1.978 1.00 13.20 102L1345 ATOM 1252 C TRP 158 43.539 -0.052 1.226 1.00 20.84 102L1346 ATOM 1253 O TRP 158 44.370 0.632 1.777 1.00 20.59 102L1347 ATOM 1254 CB TRP 158 42.865 -1.191 3.287 1.00 11.79 102L1348 ATOM 1255 CG TRP 158 41.827 -1.635 4.273 1.00 14.12 102L1349 ATOM 1256 CD1 TRP 158 41.552 -2.920 4.588 1.00 13.32 102L1350 ATOM 1257 CD2 TRP 158 40.939 -0.809 5.035 1.00 20.46 102L1351 ATOM 1258 NE1 TRP 158 40.568 -2.963 5.540 1.00 19.41 102L1352 ATOM 1259 CE2 TRP 158 40.172 -1.685 5.852 1.00 17.96 102L1353 ATOM 1260 CE3 TRP 158 40.768 0.566 5.152 1.00 18.05 102L1354 ATOM 1261 CZ2 TRP 158 39.211 -1.241 6.746 1.00 17.77 102L1355 ATOM 1262 CZ3 TRP 158 39.855 0.989 6.078 1.00 19.13 102L1356 ATOM 1263 CH2 TRP 158 39.069 0.103 6.843 1.00 17.07 102L1357 ATOM 1264 N ASP 159 43.639 -0.338 -0.040 1.00 17.01 102L1358 ATOM 1265 CA ASP 159 44.815 0.154 -0.763 1.00 16.67 102L1359 ATOM 1266 C ASP 159 45.215 1.622 -0.580 1.00 25.23 102L1360 ATOM 1267 O ASP 159 46.397 1.912 -0.536 1.00 27.38 102L1361 ATOM 1268 CB ASP 159 44.773 -0.215 -2.252 1.00 24.42 102L1362 ATOM 1269 CG ASP 159 44.680 -1.713 -2.512 1.00 48.23 102L1363 ATOM 1270 OD1 ASP 159 45.018 -2.464 -1.479 1.00 41.28 102L1364 ATOM 1271 OD2 ASP 159 44.380 -2.178 -3.591 1.00 44.64 102L1365 ATOM 1272 N ALA 160 44.239 2.533 -0.548 1.00 24.34 102L1366 ATOM 1273 CA ALA 160 44.515 3.969 -0.451 1.00 15.36 102L1367 ATOM 1274 C ALA 160 45.235 4.303 0.834 1.00 20.55 102L1368 ATOM 1275 O ALA 160 45.885 5.321 0.980 1.00 20.15 102L1369 ATOM 1276 CB ALA 160 43.227 4.790 -0.632 1.00 16.32 102L1370 ATOM 1277 N TYR 161 45.132 3.432 1.780 1.00 17.00 102L1371 ATOM 1278 CA TYR 161 45.720 3.704 3.032 1.00 16.51 102L1372 ATOM 1279 C TYR 161 46.983 2.944 3.272 1.00 26.21 102L1373 ATOM 1280 O TYR 161 47.564 3.096 4.338 1.00 30.12 102L1374 ATOM 1281 CB TYR 161 44.689 3.402 4.146 1.00 18.77 102L1375 ATOM 1282 CG TYR 161 43.589 4.410 4.214 1.00 17.18 102L1376 ATOM 1283 CD1 TYR 161 43.752 5.575 4.973 1.00 9.51 102L1377 ATOM 1284 CD2 TYR 161 42.457 4.206 3.424 1.00 13.93 102L1378 ATOM 1285 CE1 TYR 161 42.727 6.519 5.017 1.00 10.62 102L1379 ATOM 1286 CE2 TYR 161 41.446 5.163 3.428 1.00 15.90 102L1380 ATOM 1287 CZ TYR 161 41.593 6.296 4.230 1.00 11.60 102L1381 ATOM 1288 OH TYR 161 40.554 7.202 4.273 1.00 12.91 102L1382 ATOM 1289 N LYS 162 47.340 2.095 2.404 1.00 52.34 1 102L1383 ATOM 1290 CA LYS 162 48.558 1.279 2.555 1.00100.00 1 102L1384 ATOM 1291 C LYS 162 49.765 1.809 1.757 1.00 53.99 1 102L1385 ATOM 1292 O LYS 162 50.824 2.091 2.326 1.00 40.69 1 102L1386 ATOM 1293 CB LYS 162 48.399 -0.233 2.395 1.00 86.39 1 102L1387 ATOM 1294 CG LYS 162 47.487 -0.828 3.442 1.00 54.55 1 102L1388 ATOM 1295 CD LYS 162 47.042 -2.267 3.144 1.00100.00 1 102L1389 ATOM 1296 CE LYS 162 47.048 -2.611 1.653 1.00 99.84 1 102L1390 ATOM 1297 NZ LYS 162 45.951 -3.517 1.236 1.00 61.13 1 102L1391 TER 1298 LYS 162 102L1392 HETATM 1299 OB1 SEO 901 33.365 -0.851 15.514 1.00 38.25 2 102L1393 HETATM 1300 CB1 SEO 901 31.965 -0.933 15.030 1.00 33.04 2 102L1394 HETATM 1301 CB SEO 901 31.963 -1.528 13.675 1.00 34.06 2 102L1395 HETATM 1302 SG SEO 901 33.648 -1.772 13.157 1.00 28.66 2 102L1396 HETATM 1303 OB1 SEO 902 34.873 -3.387 9.105 1.00 52.06 2 102L1397 HETATM 1304 CB1 SEO 902 34.138 -2.257 9.175 1.00 37.55 2 102L1398 HETATM 1305 CB SEO 902 33.301 -2.197 10.499 1.00 45.81 2 102L1399 HETATM 1306 SG SEO 902 33.692 -0.686 11.493 1.00 47.60 2 102L1400 HETATM 1307 O HOH 171 38.096 12.403 18.145 1.00 13.29 102L1401 HETATM 1308 O HOH 172 35.798 18.883 3.172 1.00 28.26 102L1402 HETATM 1309 CL CL 173 42.929 16.535 2.063 1.00 3.86 102L1403 HETATM 1310 O HOH 174 41.760 23.289 1.355 1.00 22.98 102L1404 HETATM 1311 O HOH 175 41.405 2.139 0.050 1.00 20.64 102L1405 HETATM 1312 O HOH 176 41.546 26.175 28.863 1.00 83.67 102L1406 HETATM 1313 O HOH 177 33.112 -7.870 4.081 1.00 19.02 102L1407 HETATM 1314 CL CL 178 32.067 15.336 23.954 0.50 2.26 102L1408 HETATM 1315 O HOH 179 40.318 12.967 19.810 1.00 17.65 102L1409 HETATM 1316 O HOH 180 44.691 10.848 -1.785 1.00 21.86 102L1410 HETATM 1317 O HOH 181 28.350 -6.907 4.876 1.00 22.98 102L1411 HETATM 1318 O HOH 182 33.184 12.730 22.367 1.00 26.31 102L1412 HETATM 1319 O HOH 183 34.192 11.289 28.922 1.00 39.30 102L1413 HETATM 1320 O HOH 184 48.531 9.908 28.532 1.00 69.93 102L1414 HETATM 1321 O HOH 185 31.118 5.925 23.394 1.00 30.98 102L1415 HETATM 1322 O HOH 186 40.670 5.447 20.531 1.00 26.46 102L1416 HETATM 1323 O HOH 187 44.851 -3.689 11.364 1.00 44.47 102L1417 HETATM 1324 O HOH 188 39.211 22.653 -6.614 1.00 28.22 102L1418 HETATM 1325 O HOH 189 50.725 17.496 19.609 1.00 39.08 102L1419 HETATM 1326 O HOH 190 36.286 27.659 16.011 1.00 43.54 102L1420 HETATM 1327 O HOH 191 37.325 29.870 14.316 1.00 54.86 102L1421 HETATM 1328 O HOH 192 44.145 25.354 9.871 1.00 29.12 102L1422 HETATM 1329 O HOH 193 19.914 -2.351 2.972 1.00 25.96 102L1423 HETATM 1330 O HOH 194 35.024 5.367 -10.938 1.00 52.83 102L1424 HETATM 1331 O HOH 195 36.970 -1.366 10.719 1.00 14.46 102L1425 HETATM 1332 O HOH 196 46.254 20.177 30.445 1.00 38.09 102L1426 HETATM 1333 O HOH 197 24.906 12.490 -4.355 1.00 31.44 102L1427 HETATM 1334 O HOH 198 31.003 25.725 27.630 1.00 35.97 102L1428 HETATM 1335 O HOH 200 33.053 18.349 22.286 1.00 23.79 102L1429 HETATM 1336 O HOH 201 29.906 7.926 22.130 1.00 27.03 102L1430 HETATM 1337 O HOH 202 30.816 12.254 20.570 1.00 52.47 102L1431 HETATM 1338 O HOH 203 37.437 19.518 13.151 1.00 31.11 102L1432 HETATM 1339 O HOH 204 39.166 17.819 11.596 1.00 36.09 102L1433 HETATM 1340 O HOH 206 25.857 17.244 9.151 1.00 34.11 102L1434 HETATM 1341 O HOH 207 41.734 15.909 8.730 1.00 42.70 102L1435 HETATM 1342 O HOH 208 35.521 11.602 4.867 1.00 13.10 102L1436 HETATM 1343 O HOH 209 42.648 16.745 4.820 1.00 33.52 102L1437 HETATM 1344 O HOH 210 35.364 -5.423 0.458 1.00 33.55 102L1438 HETATM 1345 O HOH 211 46.823 9.941 -0.263 1.00 26.68 102L1439 HETATM 1346 O HOH 212 23.034 17.372 -1.523 1.00 54.08 102L1440 HETATM 1347 O HOH 213 25.878 -1.906 -1.282 1.00 17.69 102L1441 HETATM 1348 O HOH 214 22.101 -3.839 -2.071 1.00 36.41 102L1442 HETATM 1349 O HOH 215 33.200 14.066 26.295 1.00 20.90 102L1443 HETATM 1350 O HOH 216 36.306 10.068 -8.358 1.00 32.95 102L1444 HETATM 1351 O HOH 217 34.183 -1.226 -9.731 1.00 44.54 102L1445 HETATM 1352 O HOH 218 28.142 9.138 -11.756 1.00 31.53 102L1446 HETATM 1353 O HOH 219 27.371 11.830 -11.295 1.00 29.61 102L1447 HETATM 1354 O HOH 220 34.195 18.746 -8.611 1.00 42.28 102L1448 HETATM 1355 O HOH 221 44.210 5.721 17.095 1.00 41.26 102L1449 HETATM 1356 O HOH 222 29.780 24.425 17.619 1.00 49.06 102L1450 HETATM 1357 O HOH 223 42.608 -4.620 12.725 1.00 28.41 102L1451 HETATM 1358 O HOH 224 36.348 17.366 12.868 1.00 50.00 102L1452 HETATM 1359 O HOH 225 33.991 17.051 12.427 1.00 58.54 102L1453 HETATM 1360 O HOH 226 22.121 -3.263 11.351 1.00 43.15 102L1454 HETATM 1361 O HOH 227 48.868 6.787 11.796 1.00 43.31 102L1455 HETATM 1362 O HOH 228 48.126 11.083 10.805 1.00 54.30 102L1456 HETATM 1363 O HOH 229 41.811 16.815 12.172 1.00 34.02 102L1457 HETATM 1364 O HOH 230 43.542 14.182 6.056 1.00 34.74 102L1458 HETATM 1365 O HOH 231 42.509 -4.675 1.537 1.00 34.83 102L1459 HETATM 1366 O HOH 232 46.694 7.191 -0.979 1.00 30.18 102L1460 HETATM 1367 O HOH 233 44.683 8.016 -2.932 1.00 57.08 102L1461 HETATM 1368 O HOH 234 40.403 18.925 -6.576 1.00 60.62 102L1462 HETATM 1369 O HOH 235 31.239 -0.146 -11.070 1.00 30.45 102L1463 HETATM 1370 O HOH 236 46.624 20.068 12.175 1.00 46.72 102L1464 HETATM 1371 O HOH 237 40.340 16.308 6.565 1.00 43.62 102L1465 HETATM 1372 O HOH 238 35.251 -2.460 -7.791 1.00 31.67 102L1466 HETATM 1373 O HOH 239 36.144 12.727 28.321 1.00 30.48 102L1467 HETATM 1374 O HOH 240 43.786 5.137 25.143 1.00 34.19 102L1468 HETATM 1375 O HOH 242 25.330 9.438 17.681 1.00 41.35 102L1469 HETATM 1376 O HOH 244 46.886 4.606 11.725 1.00 29.48 102L1470 HETATM 1377 O HOH 245 47.530 13.510 3.173 1.00 51.83 102L1471 HETATM 1378 O HOH 246 30.660 15.821 20.737 1.00 53.44 102L1472 HETATM 1379 O HOH 247 46.483 26.587 14.929 1.00 63.08 102L1473 HETATM 1380 O HOH 248 39.375 -5.712 6.020 1.00 28.28 102L1474 HETATM 1381 O HOH 249 38.632 10.465 -7.046 1.00 41.05 102L1475 HETATM 1382 O HOH 250 36.509 11.688 -10.563 1.00 49.80 102L1476 HETATM 1383 O HOH 251 33.959 13.372 -10.940 1.00 32.55 102L1477 HETATM 1384 O HOH 253 18.823 5.971 1.452 1.00 43.13 102L1478 HETATM 1385 O HOH 254 25.427 16.611 11.810 1.00 55.54 102L1479 HETATM 1386 O HOH 256 37.048 15.866 10.437 1.00 42.74 102L1480 HETATM 1387 O HOH 257 46.280 6.969 18.650 1.00 68.24 102L1481 HETATM 1388 O HOH 258 45.872 26.615 21.420 1.00 81.81 102L1482 HETATM 1389 O HOH 259 41.016 12.992 32.125 1.00 38.67 102L1483 HETATM 1390 O HOH 260 44.958 11.009 31.106 1.00 66.03 102L1484 HETATM 1391 O HOH 261 39.281 6.196 -7.075 1.00 55.14 102L1485 HETATM 1392 O HOH 265 34.544 14.036 15.944 1.00 48.51 102L1486 HETATM 1393 O HOH 266 34.254 16.253 16.408 1.00 73.87 102L1487 HETATM 1394 O HOH 267 34.880 15.148 13.577 1.00 34.84 102L1488 HETATM 1395 O HOH 268 16.220 9.252 9.605 1.00 52.37 102L1489 HETATM 1396 O HOH 269 44.412 22.139 9.873 1.00 45.61 102L1490 HETATM 1397 O HOH 270 30.061 18.534 -0.226 1.00 18.25 102L1491 HETATM 1398 O HOH 271 36.987 7.323 -9.714 1.00 51.67 102L1492 HETATM 1399 O HOH 272 17.564 13.497 -5.856 1.00 56.04 102L1493 HETATM 1400 O HOH 273 38.917 -6.321 0.815 1.00 32.76 102L1494 HETATM 1401 O HOH 274 31.336 11.619 15.581 1.00 26.91 102L1495 HETATM 1402 O HOH 275 28.801 19.172 7.163 1.00 65.05 102L1496 HETATM 1403 O HOH 276 19.061 11.089 0.874 1.00 51.52 102L1497 HETATM 1404 O HOH 277 34.443 -4.499 -5.906 1.00 33.94 102L1498 HETATM 1405 O HOH 278 41.176 25.917 31.281 1.00 41.18 102L1499 HETATM 1406 O HOH 279 19.166 16.384 0.237 1.00 64.27 102L1500 HETATM 1407 O HOH 280 32.948 17.487 18.525 1.00 57.74 102L1501 HETATM 1408 O HOH 281 31.867 21.028 21.598 1.00 34.21 102L1502 HETATM 1409 O HOH 282 32.630 19.898 24.297 1.00 46.41 102L1503 HETATM 1410 O HOH 283 44.561 3.854 15.665 1.00 48.43 102L1504 HETATM 1411 O HOH 284 50.251 12.775 26.467 1.00 54.22 102L1505 HETATM 1412 O HOH 285 43.239 15.940 15.205 1.00 49.70 102L1506 HETATM 1413 O HOH 286 50.184 16.658 26.748 1.00 50.47 102L1507 HETATM 1414 O HOH 288 44.275 -1.192 15.565 1.00 29.35 102L1508 HETATM 1415 O HOH 289 20.673 9.527 13.716 1.00 48.08 102L1509 HETATM 1416 O HOH 290 21.224 -6.188 4.291 1.00 55.38 102L1510 HETATM 1417 O HOH 291 23.462 -6.131 -0.931 1.00 42.67 102L1511 HETATM 1418 O HOH 292 19.598 7.883 -1.753 1.00 54.61 102L1512 HETATM 1419 O HOH 293 28.493 -0.451 -12.055 1.00 50.64 102L1513 HETATM 1420 O HOH 294 47.877 2.126 10.111 1.00 74.51 102L1514 HETATM 1421 O HOH 295 46.951 3.901 14.761 1.00 37.70 102L1515 HETATM 1422 O HOH 296 41.818 -6.740 5.894 1.00 55.95 102L1516 HETATM 1423 O HOH 298 45.348 16.158 14.386 1.00 58.67 102L1517 HETATM 1424 O HOH 299 32.910 13.202 14.575 1.00 32.80 102L1518 HETATM 1425 O HOH 300 37.174 19.979 -9.339 1.00 56.51 102L1519 HETATM 1426 O HOH 301 19.966 4.789 -1.594 1.00 64.09 102L1520 HETATM 1427 O HOH 302 18.043 -1.988 6.226 1.00 47.25 102L1521 HETATM 1428 O HOH 303 33.385 18.940 3.855 1.00 39.24 102L1522 HETATM 1429 O HOH 304 42.147 19.045 10.097 1.00 46.07 102L1523 HETATM 1430 O HOH 306 34.873 21.175 10.274 1.00 51.47 102L1524 HETATM 1431 O HOH 307 31.864 19.402 19.901 1.00 47.35 102L1525 HETATM 1432 O HOH 308 39.169 14.702 34.071 1.00 53.43 102L1526 HETATM 1433 O HOH 311 29.564 1.695 -11.709 1.00 29.28 102L1527 HETATM 1434 O HOH 312 39.890 11.752 -8.559 1.00 39.59 102L1528 HETATM 1435 O HOH 313 41.357 8.351 -6.452 1.00 64.12 102L1529 HETATM 1436 O HOH 315 49.886 12.264 12.561 1.00 56.84 102L1530 HETATM 1437 O HOH 316 42.814 17.351 -7.638 1.00 74.10 102L1531 HETATM 1438 O HOH 319 47.953 24.348 17.699 1.00 56.40 102L1532 HETATM 1439 O HOH 321 38.347 18.616 7.395 1.00 60.22 102L1533 HETATM 1440 O HOH 322 49.091 21.550 18.562 1.00 68.84 102L1534 CONECT 1299 1300 102L1535 CONECT 1300 1299 1301 102L1536 CONECT 1301 1300 1302 102L1537 CONECT 1302 1301 1306 102L1538 CONECT 1303 1304 102L1539 CONECT 1304 1303 1305 102L1540 CONECT 1305 1304 1306 102L1541 CONECT 1306 1302 1305 102L1542 MASTER 49 7 4 0 0 0 0 6 1439 1 8 13 102LA 5 END 102L1544 HEADER OXYGEN TRANSPORT 15-DEC-97 102M TITLE SPERM WHALE MYOGLOBIN H64A AQUOMET AT PH 9.0 COMPND MOL_ID: 1; COMPND 2 MOLECULE: MYOGLOBIN; COMPND 3 CHAIN: NULL; COMPND 4 ENGINEERED: SYNTHETIC GENE; COMPND 5 MUTATION: INS(M0), H64A, D122N SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; SOURCE 3 ORGANISM_COMMON: SPERM WHALE; SOURCE 4 TISSUE: SKELETAL MUSCLE; SOURCE 5 CELLULAR_LOCATION: CYTOPLASM; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: PHAGE RESISTANT TB1; SOURCE 8 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PEMBL 19+ KEYWDS LIGAND BINDING, OXYGEN STORAGE, OXYGEN BINDING, HEME, KEYWDS 2 OXYGEN TRANSPORT EXPDTA X-RAY DIFFRACTION AUTHOR R.D.SMITH,J.S.OLSON,G.N.PHILLIPS JR. REVDAT 3 03-MAY-05 102M 1 AUTHOR REVDAT 2 17-MAY-99 102M 1 JRNL HELIX REVDAT 1 08-APR-98 102M 0 JRNL AUTH R.D.SMITH JRNL TITL CORRELATIONS BETWEEN BOUND N-ALKYL ISOCYANIDE JRNL TITL 2 ORIENTATIONS AND PATHWAYS FOR LIGAND BINDING JRNL TITL 3 IN RECOMBINANT MYOGLOBINS JRNL REF THESIS, RICE JRNL REFN US ISSN 1047-8477 0806 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.84 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.84 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 5.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.0 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.00 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.001000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 89.8 REMARK 3 NUMBER OF REFLECTIONS : 16364 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.159 REMARK 3 FREE R VALUE : 0.203 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.9 REMARK 3 FREE R VALUE TEST SET COUNT : 1623 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.84 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.92 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 94.5 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1941 REMARK 3 BIN R VALUE (WORKING SET) : 0.227 REMARK 3 BIN FREE R VALUE : 0.258 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.3 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 200 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.018 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1220 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 44 REMARK 3 SOLVENT ATOMS : 159 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 12.3 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 19.5 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.16 REMARK 3 ESD FROM SIGMAA (A) : 0.16 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.20 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.16 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.009 REMARK 3 BOND ANGLES (DEGREES) : 1.4 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 18.7 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.20 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 2.01 ; 1.50 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.51 ; 2.00 REMARK 3 SIDE-CHAIN BOND (A**2) : 7.32 ; 2.50 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 11.08 ; 2.50 REMARK 3 REMARK 3 NCS MODEL : NONE REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : PARAMETER.HEME REMARK 3 PARAMETER FILE 3 : PARAM19.SOLV REMARK 3 PARAMETER FILE 4 : PARAM19.SOLV REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TOPOLOGY.HEME REMARK 3 TOPOLOGY FILE 3 : TOPH19.SOLV REMARK 3 TOPOLOGY FILE 4 : TOPH19.SOLV REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 102M COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996 REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : OCT-1996 REMARK 200 TEMPERATURE (KELVIN) : 292 REMARK 200 PH : 9.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : SIEMENS REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE REMARK 200 OPTICS : PINHOLE COLLIMATOR REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17484 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.84 REMARK 200 RESOLUTION RANGE LOW (A) : 6.00 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0. REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 90.9 REMARK 200 DATA REDUNDANCY : 5.63 REMARK 200 R MERGE (I) : 0.062 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.84 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.85 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.4 REMARK 200 DATA REDUNDANCY IN SHELL : 4.35 REMARK 200 R MERGE FOR SHELL (I) : 0.267 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REMARK 200 REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR 3.851 REMARK 200 STARTING MODEL: SPERM WHALE MYOGLOBIN 0M, D122N (DEOXY) REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 60.21 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.091 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 3.0 M AMMONIUM SULFATE, 20 MM REMARK 280 TRIS, 1MM EDTA, PH 9.0 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 6 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z REMARK 290 3555 Y-X,-X,Z REMARK 290 4555 -X,-Y,Z REMARK 290 5555 Y,Y-X,Z REMARK 290 6555 X-Y,X,Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.499960 -0.866028 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866023 -0.500040 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -0.500040 0.866028 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866023 -0.499960 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 0.499960 0.866028 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866023 0.500040 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 0.500040 -0.866028 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866023 0.499960 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: HEM REMARK 800 SITE_DESCRIPTION: LIGAND BINDING SITE. REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 THIS ENTRY IS RELATED TO PDB ENTRIES 101M, 103M, 104M, REMARK 900 105M, 106M, 107M, 108M, 109M, 110M, 111M, 112M. REMARK 999 REMARK 999 SEQUENCE REMARK 999 MET 0 - MET 0 - MISSING FROM SWS P02185 DBREF 102M 1 153 SWS P02185 MYG_PHYCA 1 153 SEQADV 102M ALA 64 SWS P02185 HIS 64 ENGINEERED SEQADV 102M ASN 122 SWS P02185 ASP 122 ENGINEERED SEQRES 1 154 MET VAL LEU SER GLU GLY GLU TRP GLN LEU VAL LEU HIS SEQRES 2 154 VAL TRP ALA LYS VAL GLU ALA ASP VAL ALA GLY HIS GLY SEQRES 3 154 GLN ASP ILE LEU ILE ARG LEU PHE LYS SER HIS PRO GLU SEQRES 4 154 THR LEU GLU LYS PHE ASP ARG PHE LYS HIS LEU LYS THR SEQRES 5 154 GLU ALA GLU MET LYS ALA SER GLU ASP LEU LYS LYS ALA SEQRES 6 154 GLY VAL THR VAL LEU THR ALA LEU GLY ALA ILE LEU LYS SEQRES 7 154 LYS LYS GLY HIS HIS GLU ALA GLU LEU LYS PRO LEU ALA SEQRES 8 154 GLN SER HIS ALA THR LYS HIS LYS ILE PRO ILE LYS TYR SEQRES 9 154 LEU GLU PHE ILE SER GLU ALA ILE ILE HIS VAL LEU HIS SEQRES 10 154 SER ARG HIS PRO GLY ASN PHE GLY ALA ASP ALA GLN GLY SEQRES 11 154 ALA MET ASN LYS ALA LEU GLU LEU PHE ARG LYS ASP ILE SEQRES 12 154 ALA ALA LYS TYR LYS GLU LEU GLY TYR GLN GLY HET HEM 155 43 PROTOPORPHYRIN IX CONTAINS FE(III) HET SO4 157 5 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETNAM SO4 SULFATE ION HETSYN HEM HEME FORMUL 2 HEM C34 H32 N4 O4 FE1 1+ FORMUL 3 SO4 O4 S1 2- FORMUL 4 HOH *155(H2 O1) HELIX 1 1 SER 3 GLU 18 16 HELIX 2 2 ASP 20 SER 35 16 HELIX 3 3 HIS 36 LYS 42 7 HELIX 4 4 THR 51 ALA 57 7 HELIX 5 5 SER 58 LYS 77 20 HELIX 6 6 LEU 86 ALA 94 9 HELIX 7 7 PRO 100 ARG 118 19 HELIX 8 8 GLY 124 LEU 149 26 LINK FE HEM 155 NE2 HIS 93 LINK FE HEM 155 O HOH 156 SITE 1 HEM 1 HEM 155 CRYST1 91.433 91.433 45.949 90.00 90.00 120.00 P 6 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.010937 0.006314 0.000000 0.00000 SCALE2 0.000000 0.012629 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021763 0.00000 ATOM 1 N MET 0 24.512 8.259 -9.688 1.00 33.83 N ATOM 2 CA MET 0 24.523 9.740 -9.865 1.00 32.90 C ATOM 3 C MET 0 25.889 10.228 -10.330 1.00 31.90 C ATOM 4 O MET 0 26.886 9.516 -10.198 1.00 32.07 O ATOM 5 CB MET 0 24.143 10.414 -8.560 1.00 34.34 C ATOM 6 CG MET 0 24.891 9.880 -7.378 1.00 35.66 C ATOM 7 SD MET 0 24.111 10.428 -5.871 1.00 38.66 S ATOM 8 CE MET 0 24.454 12.221 -5.988 1.00 36.36 C ATOM 9 N VAL 1 25.922 11.435 -10.891 1.00 30.10 N ATOM 10 CA VAL 1 27.161 12.020 -11.393 1.00 27.92 C ATOM 11 C VAL 1 27.260 13.522 -11.114 1.00 26.21 C ATOM 12 O VAL 1 26.304 14.278 -11.304 1.00 26.54 O ATOM 13 CB VAL 1 27.312 11.769 -12.919 1.00 27.99 C ATOM 14 CG1 VAL 1 28.557 12.455 -13.466 1.00 27.68 C ATOM 15 CG2 VAL 1 27.395 10.282 -13.189 1.00 28.05 C ATOM 16 N LEU 2 28.407 13.938 -10.599 1.00 23.68 N ATOM 17 CA LEU 2 28.641 15.349 -10.324 1.00 20.97 C ATOM 18 C LEU 2 29.285 15.976 -11.549 1.00 19.50 C ATOM 19 O LEU 2 29.976 15.300 -12.306 1.00 18.60 O ATOM 20 CB LEU 2 29.602 15.516 -9.142 1.00 20.07 C ATOM 21 CG LEU 2 29.003 15.462 -7.742 1.00 19.76 C ATOM 22 CD1 LEU 2 28.734 14.017 -7.356 1.00 18.96 C ATOM 23 CD2 LEU 2 29.966 16.142 -6.762 1.00 18.40 C ATOM 24 N SER 3 29.056 17.260 -11.759 1.00 18.20 N ATOM 25 CA SER 3 29.690 17.929 -12.882 1.00 17.70 C ATOM 26 C SER 3 31.086 18.341 -12.420 1.00 17.23 C ATOM 27 O SER 3 31.404 18.261 -11.230 1.00 16.47 O ATOM 28 CB SER 3 28.882 19.155 -13.301 1.00 17.59 C ATOM 29 OG SER 3 28.766 20.060 -12.225 1.00 17.97 O ATOM 30 N GLU 4 31.935 18.742 -13.356 1.00 11.50 N ATOM 31 CA GLU 4 33.283 19.175 -13.008 1.00 13.15 C ATOM 32 C GLU 4 33.188 20.387 -12.086 1.00 16.93 C ATOM 33 O GLU 4 33.964 20.514 -11.147 1.00 15.15 O ATOM 34 CB GLU 4 34.074 19.549 -14.275 1.00 17.13 C ATOM 35 CG GLU 4 35.473 20.111 -14.013 1.00 17.78 C ATOM 36 CD GLU 4 36.414 19.122 -13.332 1.00 19.05 C ATOM 37 OE1 GLU 4 36.132 17.911 -13.343 1.00 29.34 O ATOM 38 OE2 GLU 4 37.452 19.559 -12.792 1.00 24.04 O ATOM 39 N GLY 5 32.218 21.261 -12.358 1.00 13.76 N ATOM 40 CA GLY 5 32.027 22.458 -11.553 1.00 13.72 C ATOM 41 C GLY 5 31.722 22.137 -10.101 1.00 13.60 C ATOM 42 O GLY 5 32.186 22.833 -9.197 1.00 13.74 O ATOM 43 N GLU 6 30.937 21.085 -9.881 1.00 12.33 N ATOM 44 CA GLU 6 30.587 20.649 -8.531 1.00 9.54 C ATOM 45 C GLU 6 31.812 20.053 -7.832 1.00 12.64 C ATOM 46 O GLU 6 32.042 20.319 -6.653 1.00 13.25 O ATOM 47 CB GLU 6 29.423 19.652 -8.566 1.00 9.98 C ATOM 48 CG GLU 6 28.072 20.337 -8.823 1.00 14.10 C ATOM 49 CD GLU 6 26.947 19.382 -9.204 1.00 17.07 C ATOM 50 OE1 GLU 6 27.217 18.304 -9.766 1.00 21.59 O ATOM 51 OE2 GLU 6 25.775 19.730 -8.972 1.00 22.03 O ATOM 52 N TRP 7 32.609 19.264 -8.558 1.00 11.31 N ATOM 53 CA TRP 7 33.822 18.684 -7.971 1.00 11.54 C ATOM 54 C TRP 7 34.783 19.785 -7.573 1.00 11.41 C ATOM 55 O TRP 7 35.487 19.667 -6.578 1.00 11.70 O ATOM 56 CB TRP 7 34.542 17.741 -8.947 1.00 10.91 C ATOM 57 CG TRP 7 33.913 16.393 -9.007 1.00 11.38 C ATOM 58 CD1 TRP 7 33.327 15.798 -10.103 1.00 10.69 C ATOM 59 CD2 TRP 7 33.743 15.480 -7.917 1.00 10.51 C ATOM 60 NE1 TRP 7 32.801 14.590 -9.747 1.00 10.13 N ATOM 61 CE2 TRP 7 33.037 14.365 -8.414 1.00 11.11 C ATOM 62 CE3 TRP 7 34.108 15.499 -6.564 1.00 11.05 C ATOM 63 CZ2 TRP 7 32.683 13.276 -7.603 1.00 10.79 C ATOM 64 CZ3 TRP 7 33.756 14.425 -5.760 1.00 11.18 C ATOM 65 CH2 TRP 7 33.048 13.327 -6.283 1.00 11.36 C ATOM 66 N GLN 8 34.826 20.852 -8.365 1.00 11.12 N ATOM 67 CA GLN 8 35.725 21.953 -8.069 1.00 11.48 C ATOM 68 C GLN 8 35.347 22.656 -6.772 1.00 11.14 C ATOM 69 O GLN 8 36.230 23.079 -6.013 1.00 11.32 O ATOM 70 CB GLN 8 35.768 22.938 -9.236 1.00 13.11 C ATOM 71 CG GLN 8 36.551 22.409 -10.426 1.00 21.08 C ATOM 72 CD GLN 8 37.947 21.946 -10.034 1.00 36.83 C ATOM 73 OE1 GLN 8 38.794 22.750 -9.637 1.00 52.61 O ATOM 74 NE2 GLN 8 38.186 20.640 -10.127 1.00 45.08 N ATOM 75 N LEU 9 34.045 22.792 -6.528 1.00 10.99 N ATOM 76 CA LEU 9 33.564 23.420 -5.293 1.00 10.79 C ATOM 77 C LEU 9 33.953 22.552 -4.096 1.00 10.77 C ATOM 78 O LEU 9 34.396 23.067 -3.067 1.00 11.21 O ATOM 79 CB LEU 9 32.047 23.616 -5.334 1.00 11.08 C ATOM 80 CG LEU 9 31.566 24.710 -6.296 1.00 11.61 C ATOM 81 CD1 LEU 9 30.043 24.816 -6.291 1.00 12.25 C ATOM 82 CD2 LEU 9 32.194 26.036 -5.900 1.00 12.75 C ATOM 83 N VAL 10 33.799 21.237 -4.253 1.00 10.04 N ATOM 84 CA VAL 10 34.137 20.255 -3.225 1.00 9.24 C ATOM 85 C VAL 10 35.638 20.262 -2.923 1.00 10.26 C ATOM 86 O VAL 10 36.050 20.371 -1.768 1.00 10.31 O ATOM 87 CB VAL 10 33.713 18.822 -3.689 1.00 9.55 C ATOM 88 CG1 VAL 10 34.293 17.739 -2.766 1.00 8.54 C ATOM 89 CG2 VAL 10 32.178 18.716 -3.742 1.00 8.68 C ATOM 90 N LEU 11 36.460 20.196 -3.963 1.00 10.27 N ATOM 91 CA LEU 11 37.908 20.168 -3.769 1.00 11.22 C ATOM 92 C LEU 11 38.481 21.497 -3.309 1.00 11.14 C ATOM 93 O LEU 11 39.513 21.524 -2.642 1.00 11.99 O ATOM 94 CB LEU 11 38.622 19.660 -5.027 1.00 11.89 C ATOM 95 CG LEU 11 38.154 18.258 -5.426 1.00 12.65 C ATOM 96 CD1 LEU 11 38.812 17.824 -6.713 1.00 13.69 C ATOM 97 CD2 LEU 11 38.455 17.268 -4.296 1.00 13.06 C ATOM 98 N HIS 12 37.776 22.587 -3.588 1.00 11.31 N ATOM 99 CA HIS 12 38.240 23.898 -3.158 1.00 12.09 C ATOM 100 C HIS 12 38.153 24.025 -1.629 1.00 12.12 C ATOM 101 O HIS 12 39.102 24.468 -0.981 1.00 12.27 O ATOM 102 CB HIS 12 37.427 25.009 -3.825 1.00 13.44 C ATOM 103 CG HIS 12 37.822 26.382 -3.383 1.00 22.67 C ATOM 104 ND1 HIS 12 39.007 26.998 -3.730 1.00 28.37 N ATOM 105 CD2 HIS 12 37.183 27.251 -2.559 1.00 25.14 C ATOM 106 CE1 HIS 12 39.050 28.190 -3.116 1.00 30.02 C ATOM 107 NE2 HIS 12 37.964 28.390 -2.392 1.00 28.60 N ATOM 108 N VAL 13 37.019 23.632 -1.054 1.00 11.87 N ATOM 109 CA VAL 13 36.863 23.712 0.394 1.00 11.74 C ATOM 110 C VAL 13 37.686 22.603 1.070 1.00 11.21 C ATOM 111 O VAL 13 38.228 22.789 2.162 1.00 11.07 O ATOM 112 CB VAL 13 35.358 23.686 0.830 1.00 12.76 C ATOM 113 CG1 VAL 13 34.722 22.349 0.528 1.00 13.30 C ATOM 114 CG2 VAL 13 35.235 23.993 2.330 1.00 13.42 C ATOM 115 N TRP 14 37.830 21.468 0.391 1.00 10.66 N ATOM 116 CA TRP 14 38.624 20.383 0.957 1.00 10.48 C ATOM 117 C TRP 14 40.093 20.791 1.108 1.00 10.37 C ATOM 118 O TRP 14 40.761 20.350 2.038 1.00 10.78 O ATOM 119 CB TRP 14 38.526 19.112 0.116 1.00 10.76 C ATOM 120 CG TRP 14 38.936 17.916 0.907 1.00 11.28 C ATOM 121 CD1 TRP 14 40.124 17.253 0.832 1.00 11.41 C ATOM 122 CD2 TRP 14 38.194 17.299 1.973 1.00 11.67 C ATOM 123 NE1 TRP 14 40.171 16.269 1.796 1.00 11.43 N ATOM 124 CE2 TRP 14 39.001 16.274 2.505 1.00 11.41 C ATOM 125 CE3 TRP 14 36.924 17.523 2.529 1.00 12.03 C ATOM 126 CZ2 TRP 14 38.587 15.466 3.570 1.00 12.35 C ATOM 127 CZ3 TRP 14 36.506 16.726 3.588 1.00 12.90 C ATOM 128 CH2 TRP 14 37.337 15.704 4.099 1.00 13.02 C ATOM 129 N ALA 15 40.592 21.637 0.207 1.00 10.07 N ATOM 130 CA ALA 15 41.973 22.103 0.279 1.00 9.96 C ATOM 131 C ALA 15 42.169 22.917 1.553 1.00 10.36 C ATOM 132 O ALA 15 43.260 22.923 2.123 1.00 10.38 O ATOM 133 CB ALA 15 42.315 22.935 -0.939 1.00 10.26 C ATOM 134 N LYS 16 41.096 23.569 2.015 1.00 13.39 N ATOM 135 CA LYS 16 41.135 24.359 3.261 1.00 13.19 C ATOM 136 C LYS 16 41.171 23.406 4.455 1.00 13.61 C ATOM 137 O LYS 16 41.890 23.637 5.425 1.00 12.40 O ATOM 138 CB LYS 16 39.905 25.272 3.385 1.00 11.48 C ATOM 139 CG LYS 16 39.718 26.231 2.243 1.00 12.40 C ATOM 140 CD LYS 16 40.962 27.065 2.043 1.00 19.67 C ATOM 141 CE LYS 16 40.819 27.938 0.807 1.00 40.79 C ATOM 142 NZ LYS 16 42.134 28.445 0.346 1.00 42.91 N ATOM 143 N VAL 17 40.352 22.358 4.392 1.00 8.93 N ATOM 144 CA VAL 17 40.301 21.335 5.430 1.00 8.89 C ATOM 145 C VAL 17 41.690 20.708 5.613 1.00 8.91 C ATOM 146 O VAL 17 42.153 20.485 6.738 1.00 9.48 O ATOM 147 CB VAL 17 39.297 20.217 5.043 1.00 9.30 C ATOM 148 CG1 VAL 17 39.394 19.032 5.998 1.00 8.84 C ATOM 149 CG2 VAL 17 37.887 20.779 5.041 1.00 9.56 C ATOM 150 N GLU 18 42.372 20.447 4.505 1.00 6.61 N ATOM 151 CA GLU 18 43.700 19.838 4.568 1.00 9.04 C ATOM 152 C GLU 18 44.805 20.674 5.212 1.00 12.62 C ATOM 153 O GLU 18 45.866 20.153 5.526 1.00 12.36 O ATOM 154 CB GLU 18 44.130 19.345 3.195 1.00 7.67 C ATOM 155 CG GLU 18 43.394 18.101 2.819 1.00 10.10 C ATOM 156 CD GLU 18 43.770 17.577 1.460 1.00 12.28 C ATOM 157 OE1 GLU 18 44.253 18.345 0.613 1.00 21.78 O ATOM 158 OE2 GLU 18 43.534 16.388 1.239 1.00 18.35 O ATOM 159 N ALA 19 44.546 21.954 5.434 1.00 10.19 N ATOM 160 CA ALA 19 45.529 22.801 6.083 1.00 10.76 C ATOM 161 C ALA 19 45.596 22.426 7.567 1.00 10.82 C ATOM 162 O ALA 19 46.573 22.741 8.244 1.00 11.41 O ATOM 163 CB ALA 19 45.158 24.277 5.918 1.00 10.40 C ATOM 164 N ASP 20 44.554 21.753 8.072 1.00 7.53 N ATOM 165 CA ASP 20 44.520 21.330 9.477 1.00 6.29 C ATOM 166 C ASP 20 43.688 20.058 9.604 1.00 8.43 C ATOM 167 O ASP 20 42.597 20.076 10.167 1.00 9.13 O ATOM 168 CB ASP 20 43.926 22.443 10.351 1.00 8.02 C ATOM 169 CG ASP 20 43.806 22.045 11.815 1.00 16.51 C ATOM 170 OD1 ASP 20 44.596 21.205 12.290 1.00 11.97 O ATOM 171 OD2 ASP 20 42.888 22.560 12.485 1.00 20.93 O ATOM 172 N VAL 21 44.244 18.940 9.151 1.00 8.87 N ATOM 173 CA VAL 21 43.526 17.675 9.178 1.00 9.76 C ATOM 174 C VAL 21 43.119 17.225 10.571 1.00 9.90 C ATOM 175 O VAL 21 41.960 16.881 10.803 1.00 10.50 O ATOM 176 CB VAL 21 44.323 16.549 8.427 1.00 10.41 C ATOM 177 CG1 VAL 21 43.576 15.215 8.483 1.00 11.55 C ATOM 178 CG2 VAL 21 44.488 16.939 6.978 1.00 11.00 C ATOM 179 N ALA 22 44.055 17.261 11.508 1.00 10.03 N ATOM 180 CA ALA 22 43.773 16.826 12.872 1.00 10.36 C ATOM 181 C ALA 22 42.692 17.659 13.566 1.00 10.25 C ATOM 182 O ALA 22 41.819 17.110 14.235 1.00 10.43 O ATOM 183 CB ALA 22 45.061 16.813 13.681 1.00 10.62 C ATOM 184 N GLY 23 42.726 18.974 13.375 1.00 10.00 N ATOM 185 CA GLY 23 41.732 19.837 13.995 1.00 9.51 C ATOM 186 C GLY 23 40.331 19.608 13.452 1.00 9.38 C ATOM 187 O GLY 23 39.361 19.611 14.213 1.00 9.22 O ATOM 188 N HIS 24 40.214 19.429 12.135 1.00 9.06 N ATOM 189 CA HIS 24 38.914 19.171 11.524 1.00 8.95 C ATOM 190 C HIS 24 38.451 17.782 11.932 1.00 9.25 C ATOM 191 O HIS 24 37.269 17.580 12.166 1.00 9.76 O ATOM 192 CB HIS 24 38.985 19.258 10.001 1.00 7.95 C ATOM 193 CG HIS 24 39.063 20.658 9.479 1.00 7.25 C ATOM 194 ND1 HIS 24 40.216 21.408 9.444 1.00 7.49 N ATOM 195 CD2 HIS 24 38.101 21.437 8.919 1.00 8.45 C ATOM 196 CE1 HIS 24 39.929 22.587 8.876 1.00 6.61 C ATOM 197 NE2 HIS 24 38.656 22.652 8.540 1.00 8.20 N ATOM 198 N GLY 25 39.382 16.830 12.004 1.00 9.59 N ATOM 199 CA GLY 25 39.040 15.466 12.411 1.00 9.87 C ATOM 200 C GLY 25 38.425 15.435 13.811 1.00 10.45 C ATOM 201 O GLY 25 37.429 14.745 14.041 1.00 10.53 O ATOM 202 N GLN 26 39.016 16.175 14.750 1.00 10.50 N ATOM 203 CA GLN 26 38.485 16.243 16.111 1.00 10.95 C ATOM 204 C GLN 26 37.101 16.867 16.119 1.00 11.30 C ATOM 205 O GLN 26 36.179 16.308 16.705 1.00 11.60 O ATOM 206 CB GLN 26 39.377 17.086 17.033 1.00 12.96 C ATOM 207 CG GLN 26 40.637 16.404 17.504 1.00 20.05 C ATOM 208 CD GLN 26 41.507 17.328 18.329 1.00 30.35 C ATOM 209 OE1 GLN 26 42.178 18.210 17.792 1.00 38.63 O ATOM 210 NE2 GLN 26 41.481 17.146 19.640 1.00 23.38 N ATOM 211 N ASP 27 36.973 18.046 15.508 1.00 7.68 N ATOM 212 CA ASP 27 35.695 18.760 15.452 1.00 7.93 C ATOM 213 C ASP 27 34.561 17.910 14.902 1.00 12.23 C ATOM 214 O ASP 27 33.446 17.937 15.419 1.00 8.19 O ATOM 215 CB ASP 27 35.815 20.013 14.569 1.00 7.30 C ATOM 216 CG ASP 27 36.572 21.145 15.237 1.00 19.67 C ATOM 217 OD1 ASP 27 36.929 21.034 16.429 1.00 19.56 O ATOM 218 OD2 ASP 27 36.816 22.160 14.559 1.00 17.34 O ATOM 219 N ILE 28 34.843 17.189 13.822 1.00 9.35 N ATOM 220 CA ILE 28 33.845 16.342 13.178 1.00 9.60 C ATOM 221 C ILE 28 33.388 15.170 14.060 1.00 9.84 C ATOM 222 O ILE 28 32.177 14.944 14.233 1.00 9.58 O ATOM 223 CB ILE 28 34.372 15.855 11.789 1.00 9.45 C ATOM 224 CG1 ILE 28 34.350 17.040 10.808 1.00 9.63 C ATOM 225 CG2 ILE 28 33.523 14.694 11.258 1.00 9.65 C ATOM 226 CD1 ILE 28 35.151 16.829 9.528 1.00 9.98 C ATOM 227 N LEU 29 34.343 14.443 14.637 1.00 9.88 N ATOM 228 CA LEU 29 33.990 13.316 15.493 1.00 10.76 C ATOM 229 C LEU 29 33.271 13.761 16.762 1.00 11.22 C ATOM 230 O LEU 29 32.309 13.128 17.186 1.00 11.71 O ATOM 231 CB LEU 29 35.211 12.449 15.819 1.00 10.95 C ATOM 232 CG LEU 29 35.723 11.506 14.714 1.00 11.87 C ATOM 233 CD1 LEU 29 36.798 10.593 15.279 1.00 11.72 C ATOM 234 CD2 LEU 29 34.601 10.652 14.155 1.00 12.25 C ATOM 235 N ILE 30 33.709 14.864 17.354 1.00 11.43 N ATOM 236 CA ILE 30 33.065 15.374 18.560 1.00 11.91 C ATOM 237 C ILE 30 31.627 15.805 18.240 1.00 12.34 C ATOM 238 O ILE 30 30.701 15.533 19.010 1.00 12.67 O ATOM 239 CB ILE 30 33.870 16.547 19.174 1.00 12.35 C ATOM 240 CG1 ILE 30 35.177 16.004 19.778 1.00 12.43 C ATOM 241 CG2 ILE 30 33.016 17.295 20.204 1.00 12.10 C ATOM 242 CD1 ILE 30 36.090 17.047 20.388 1.00 13.25 C ATOM 243 N ARG 31 31.441 16.457 17.097 1.00 12.52 N ATOM 244 CA ARG 31 30.108 16.890 16.660 1.00 13.02 C ATOM 245 C ARG 31 29.220 15.641 16.504 1.00 13.90 C ATOM 246 O ARG 31 28.097 15.590 17.031 1.00 13.58 O ATOM 247 CB ARG 31 30.250 17.670 15.344 1.00 13.28 C ATOM 248 CG ARG 31 29.002 17.878 14.488 1.00 19.41 C ATOM 249 CD ARG 31 27.742 18.169 15.250 1.00 27.43 C ATOM 250 NE ARG 31 27.775 19.409 15.999 1.00 35.28 N ATOM 251 CZ ARG 31 26.719 20.200 16.157 1.00 57.29 C ATOM 252 NH1 ARG 31 25.564 19.911 15.563 1.00 45.11 N ATOM 253 NH2 ARG 31 26.830 21.309 16.873 1.00 59.96 N ATOM 254 N LEU 32 29.764 14.607 15.855 1.00 13.94 N ATOM 255 CA LEU 32 29.038 13.352 15.651 1.00 14.16 C ATOM 256 C LEU 32 28.613 12.719 16.984 1.00 14.58 C ATOM 257 O LEU 32 27.457 12.363 17.156 1.00 14.89 O ATOM 258 CB LEU 32 29.909 12.355 14.871 1.00 13.94 C ATOM 259 CG LEU 32 29.369 10.926 14.735 1.00 14.29 C ATOM 260 CD1 LEU 32 28.142 10.932 13.858 1.00 14.01 C ATOM 261 CD2 LEU 32 30.418 10.000 14.141 1.00 14.52 C ATOM 262 N PHE 33 29.552 12.604 17.925 1.00 14.72 N ATOM 263 CA PHE 33 29.281 11.985 19.227 1.00 14.83 C ATOM 264 C PHE 33 28.328 12.779 20.104 1.00 15.92 C ATOM 265 O PHE 33 27.591 12.196 20.902 1.00 17.20 O ATOM 266 CB PHE 33 30.582 11.728 19.983 1.00 13.93 C ATOM 267 CG PHE 33 31.542 10.831 19.257 1.00 13.76 C ATOM 268 CD1 PHE 33 31.079 9.781 18.465 1.00 13.40 C ATOM 269 CD2 PHE 33 32.919 11.024 19.379 1.00 13.45 C ATOM 270 CE1 PHE 33 31.976 8.934 17.802 1.00 13.10 C ATOM 271 CE2 PHE 33 33.820 10.186 18.722 1.00 13.51 C ATOM 272 CZ PHE 33 33.346 9.137 17.930 1.00 13.06 C ATOM 273 N LYS 34 28.340 14.102 19.976 1.00 18.34 N ATOM 274 CA LYS 34 27.444 14.928 20.777 1.00 19.64 C ATOM 275 C LYS 34 26.039 14.876 20.217 1.00 21.06 C ATOM 276 O LYS 34 25.067 14.866 20.969 1.00 29.46 O ATOM 277 CB LYS 34 27.928 16.379 20.847 1.00 16.26 C ATOM 278 CG LYS 34 29.202 16.549 21.658 1.00 34.93 C ATOM 279 CD LYS 34 29.371 17.972 22.177 1.00 53.53 C ATOM 280 CE LYS 34 29.393 18.972 21.046 1.00 56.86 C ATOM 281 NZ LYS 34 29.855 20.321 21.475 1.00 65.56 N ATOM 282 N SER 35 25.937 14.833 18.892 1.00 20.96 N ATOM 283 CA SER 35 24.648 14.788 18.218 1.00 20.74 C ATOM 284 C SER 35 24.014 13.398 18.263 1.00 20.45 C ATOM 285 O SER 35 22.804 13.267 18.404 1.00 20.62 O ATOM 286 CB SER 35 24.810 15.229 16.765 1.00 21.30 C ATOM 287 OG SER 35 25.385 16.521 16.692 1.00 22.82 O ATOM 288 N HIS 36 24.842 12.366 18.133 1.00 20.00 N ATOM 289 CA HIS 36 24.378 10.977 18.138 1.00 19.63 C ATOM 290 C HIS 36 25.296 10.109 18.982 1.00 19.65 C ATOM 291 O HIS 36 26.090 9.334 18.452 1.00 19.33 O ATOM 292 CB HIS 36 24.312 10.435 16.708 1.00 18.90 C ATOM 293 CG HIS 36 23.572 11.329 15.762 1.00 18.39 C ATOM 294 ND1 HIS 36 22.206 11.339 15.614 1.00 16.51 N ATOM 295 CD2 HIS 36 24.038 12.258 14.891 1.00 18.40 C ATOM 296 CE1 HIS 36 21.896 12.244 14.681 1.00 16.71 C ATOM 297 NE2 HIS 36 22.976 12.830 14.209 1.00 19.04 N ATOM 298 N PRO 37 25.154 10.193 20.319 1.00 19.63 N ATOM 299 CA PRO 37 25.939 9.451 21.311 1.00 19.68 C ATOM 300 C PRO 37 26.026 7.946 21.071 1.00 19.56 C ATOM 301 O PRO 37 26.986 7.305 21.482 1.00 20.20 O ATOM 302 CB PRO 37 25.207 9.760 22.615 1.00 19.69 C ATOM 303 CG PRO 37 24.661 11.130 22.382 1.00 19.80 C ATOM 304 CD PRO 37 24.124 11.017 20.985 1.00 19.86 C ATOM 305 N GLU 38 25.022 7.378 20.418 1.00 20.16 N ATOM 306 CA GLU 38 25.023 5.942 20.150 1.00 21.01 C ATOM 307 C GLU 38 26.216 5.553 19.284 1.00 18.90 C ATOM 308 O GLU 38 26.776 4.471 19.436 1.00 25.42 O ATOM 309 CB GLU 38 23.703 5.504 19.492 1.00 21.02 C ATOM 310 CG GLU 38 23.432 6.096 18.118 1.00 23.43 C ATOM 311 CD GLU 38 22.488 7.291 18.141 1.00 39.47 C ATOM 312 OE1 GLU 38 22.567 8.140 19.059 1.00 28.80 O ATOM 313 OE2 GLU 38 21.657 7.382 17.215 1.00 48.16 O ATOM 314 N THR 39 26.641 6.466 18.416 1.00 16.62 N ATOM 315 CA THR 39 27.777 6.204 17.532 1.00 16.61 C ATOM 316 C THR 39 29.101 6.024 18.279 1.00 16.75 C ATOM 317 O THR 39 29.984 5.322 17.788 1.00 17.23 O ATOM 318 CB THR 39 27.955 7.311 16.458 1.00 16.17 C ATOM 319 OG1 THR 39 28.228 8.565 17.100 1.00 15.49 O ATOM 320 CG2 THR 39 26.703 7.434 15.608 1.00 15.50 C ATOM 321 N LEU 40 29.239 6.635 19.458 1.00 16.76 N ATOM 322 CA LEU 40 30.477 6.512 20.235 1.00 17.15 C ATOM 323 C LEU 40 30.736 5.069 20.675 1.00 17.08 C ATOM 324 O LEU 40 31.880 4.651 20.800 1.00 17.31 O ATOM 325 CB LEU 40 30.434 7.422 21.471 1.00 17.88 C ATOM 326 CG LEU 40 31.620 7.370 22.448 1.00 17.91 C ATOM 327 CD1 LEU 40 32.919 7.686 21.725 1.00 18.31 C ATOM 328 CD2 LEU 40 31.397 8.349 23.585 1.00 18.47 C ATOM 329 N GLU 41 29.663 4.307 20.867 1.00 19.30 N ATOM 330 CA GLU 41 29.757 2.916 21.294 1.00 19.98 C ATOM 331 C GLU 41 30.523 2.004 20.340 1.00 29.73 C ATOM 332 O GLU 41 31.046 0.967 20.752 1.00 28.01 O ATOM 333 CB GLU 41 28.358 2.356 21.533 1.00 24.27 C ATOM 334 CG GLU 41 27.630 3.040 22.678 1.00 47.51 C ATOM 335 CD GLU 41 26.249 2.473 22.930 1.00 53.88 C ATOM 336 OE1 GLU 41 25.421 2.463 21.992 1.00 62.95 O ATOM 337 OE2 GLU 41 25.986 2.052 24.076 1.00 71.39 O ATOM 338 N LYS 42 30.608 2.392 19.072 1.00 22.48 N ATOM 339 CA LYS 42 31.309 1.567 18.097 1.00 18.14 C ATOM 340 C LYS 42 32.816 1.608 18.262 1.00 18.29 C ATOM 341 O LYS 42 33.516 0.698 17.820 1.00 25.30 O ATOM 342 CB LYS 42 30.914 1.974 16.674 1.00 17.13 C ATOM 343 CG LYS 42 29.463 1.728 16.363 1.00 15.46 C ATOM 344 CD LYS 42 29.202 0.241 16.224 1.00 23.35 C ATOM 345 CE LYS 42 27.737 -0.048 15.968 1.00 30.11 C ATOM 346 NZ LYS 42 27.525 -1.503 15.709 1.00 34.01 N ATOM 347 N PHE 43 33.315 2.665 18.896 1.00 21.08 N ATOM 348 CA PHE 43 34.747 2.827 19.101 1.00 21.46 C ATOM 349 C PHE 43 35.178 2.328 20.476 1.00 22.05 C ATOM 350 O PHE 43 35.291 3.108 21.425 1.00 22.45 O ATOM 351 CB PHE 43 35.151 4.291 18.924 1.00 20.42 C ATOM 352 CG PHE 43 34.890 4.835 17.545 1.00 20.19 C ATOM 353 CD1 PHE 43 33.641 5.333 17.205 1.00 20.09 C ATOM 354 CD2 PHE 43 35.914 4.904 16.606 1.00 20.17 C ATOM 355 CE1 PHE 43 33.412 5.898 15.959 1.00 19.97 C ATOM 356 CE2 PHE 43 35.695 5.469 15.354 1.00 20.09 C ATOM 357 CZ PHE 43 34.446 5.969 15.030 1.00 20.05 C ATOM 358 N ASP 44 35.471 1.032 20.558 1.00 27.52 N ATOM 359 CA ASP 44 35.885 0.393 21.804 1.00 31.74 C ATOM 360 C ASP 44 37.062 1.075 22.475 1.00 31.70 C ATOM 361 O ASP 44 37.148 1.115 23.700 1.00 34.32 O ATOM 362 CB ASP 44 36.226 -1.078 21.556 1.00 38.96 C ATOM 363 CG ASP 44 35.065 -1.850 20.977 1.00 53.66 C ATOM 364 OD1 ASP 44 33.965 -1.801 21.567 1.00 59.37 O ATOM 365 OD2 ASP 44 35.246 -2.497 19.924 1.00 66.33 O ATOM 366 N ARG 45 37.949 1.639 21.666 1.00 28.24 N ATOM 367 CA ARG 45 39.128 2.303 22.179 1.00 28.34 C ATOM 368 C ARG 45 38.821 3.495 23.081 1.00 28.19 C ATOM 369 O ARG 45 39.501 3.698 24.081 1.00 28.78 O ATOM 370 CB ARG 45 40.037 2.737 21.029 1.00 29.69 C ATOM 371 CG ARG 45 41.460 2.234 21.171 1.00 37.74 C ATOM 372 CD ARG 45 42.428 2.973 20.256 1.00 47.49 C ATOM 373 NE ARG 45 42.306 2.586 18.854 1.00 52.74 N ATOM 374 CZ ARG 45 42.350 3.441 17.833 1.00 82.62 C ATOM 375 NH1 ARG 45 42.474 4.749 18.043 1.00 70.09 N ATOM 376 NH2 ARG 45 42.245 2.988 16.591 1.00 86.55 N ATOM 377 N PHE 46 37.788 4.265 22.762 1.00 27.54 N ATOM 378 CA PHE 46 37.467 5.434 23.576 1.00 27.01 C ATOM 379 C PHE 46 35.976 5.616 23.858 1.00 26.87 C ATOM 380 O PHE 46 35.494 6.721 24.094 1.00 26.72 O ATOM 381 CB PHE 46 38.087 6.702 22.962 1.00 26.34 C ATOM 382 CG PHE 46 37.809 6.876 21.489 1.00 25.48 C ATOM 383 CD1 PHE 46 36.614 7.438 21.053 1.00 25.12 C ATOM 384 CD2 PHE 46 38.759 6.503 20.541 1.00 25.41 C ATOM 385 CE1 PHE 46 36.371 7.627 19.701 1.00 25.43 C ATOM 386 CE2 PHE 46 38.522 6.690 19.178 1.00 25.11 C ATOM 387 CZ PHE 46 37.328 7.253 18.760 1.00 24.66 C ATOM 388 N LYS 47 35.269 4.494 23.894 1.00 29.85 N ATOM 389 CA LYS 47 33.839 4.446 24.167 1.00 17.53 C ATOM 390 C LYS 47 33.491 4.984 25.568 1.00 25.95 C ATOM 391 O LYS 47 32.357 5.374 25.824 1.00 25.55 O ATOM 392 CB LYS 47 33.397 2.986 24.021 1.00 20.85 C ATOM 393 CG LYS 47 32.116 2.595 24.700 1.00 47.91 C ATOM 394 CD LYS 47 31.765 1.152 24.372 1.00 47.69 C ATOM 395 CE LYS 47 32.885 0.201 24.751 1.00 39.50 C ATOM 396 NZ LYS 47 32.549 -1.194 24.356 1.00 66.09 N ATOM 397 N HIS 48 34.486 5.033 26.451 1.00 20.86 N ATOM 398 CA HIS 48 34.304 5.486 27.833 1.00 21.06 C ATOM 399 C HIS 48 34.320 7.009 28.073 1.00 21.22 C ATOM 400 O HIS 48 34.045 7.463 29.194 1.00 21.39 O ATOM 401 CB HIS 48 35.377 4.843 28.708 1.00 20.17 C ATOM 402 CG HIS 48 36.762 5.241 28.324 1.00 24.11 C ATOM 403 ND1 HIS 48 37.331 4.959 27.100 1.00 27.82 N ATOM 404 CD2 HIS 48 37.674 5.995 28.988 1.00 25.21 C ATOM 405 CE1 HIS 48 38.537 5.541 27.054 1.00 28.13 C ATOM 406 NE2 HIS 48 38.793 6.183 28.177 1.00 31.30 N ATOM 407 N LEU 49 34.688 7.792 27.059 1.00 20.97 N ATOM 408 CA LEU 49 34.741 9.252 27.205 1.00 20.81 C ATOM 409 C LEU 49 33.363 9.790 27.554 1.00 20.61 C ATOM 410 O LEU 49 32.373 9.462 26.904 1.00 20.40 O ATOM 411 CB LEU 49 35.281 9.911 25.934 1.00 21.23 C ATOM 412 CG LEU 49 36.624 9.372 25.431 1.00 21.36 C ATOM 413 CD1 LEU 49 37.025 10.087 24.158 1.00 21.66 C ATOM 414 CD2 LEU 49 37.694 9.537 26.494 1.00 22.17 C ATOM 415 N LYS 50 33.311 10.592 28.614 1.00 23.19 N ATOM 416 CA LYS 50 32.056 11.148 29.124 1.00 26.12 C ATOM 417 C LYS 50 31.734 12.582 28.729 1.00 19.75 C ATOM 418 O LYS 50 30.561 12.936 28.611 1.00 27.56 O ATOM 419 CB LYS 50 32.033 11.065 30.656 1.00 27.93 C ATOM 420 CG LYS 50 32.205 9.664 31.236 1.00 22.56 C ATOM 421 CD LYS 50 32.397 9.745 32.751 1.00 29.71 C ATOM 422 CE LYS 50 32.597 8.376 33.394 1.00 33.46 C ATOM 423 NZ LYS 50 31.358 7.553 33.362 1.00 31.20 N ATOM 424 N THR 51 32.761 13.406 28.541 1.00 17.64 N ATOM 425 CA THR 51 32.540 14.811 28.207 1.00 17.69 C ATOM 426 C THR 51 33.324 15.294 27.000 1.00 17.46 C ATOM 427 O THR 51 34.255 14.636 26.556 1.00 17.20 O ATOM 428 CB THR 51 32.941 15.708 29.386 1.00 18.05 C ATOM 429 OG1 THR 51 34.360 15.651 29.558 1.00 17.93 O ATOM 430 CG2 THR 51 32.265 15.247 30.672 1.00 18.36 C ATOM 431 N GLU 52 32.991 16.495 26.531 1.00 17.62 N ATOM 432 CA GLU 52 33.674 17.089 25.393 1.00 17.54 C ATOM 433 C GLU 52 35.108 17.400 25.743 1.00 21.52 C ATOM 434 O GLU 52 35.985 17.301 24.892 1.00 20.36 O ATOM 435 CB GLU 52 32.981 18.365 24.919 1.00 19.57 C ATOM 436 CG GLU 52 33.720 19.033 23.757 1.00 25.46 C ATOM 437 CD GLU 52 32.907 20.112 23.059 1.00 34.52 C ATOM 438 OE1 GLU 52 31.807 20.445 23.538 1.00 34.99 O ATOM 439 OE2 GLU 52 33.367 20.617 22.013 1.00 39.37 O ATOM 440 N ALA 53 35.343 17.787 26.996 1.00 15.37 N ATOM 441 CA ALA 53 36.688 18.089 27.453 1.00 15.13 C ATOM 442 C ALA 53 37.543 16.838 27.340 1.00 15.08 C ATOM 443 O ALA 53 38.692 16.903 26.918 1.00 15.49 O ATOM 444 CB ALA 53 36.665 18.581 28.900 1.00 15.35 C ATOM 445 N GLU 54 37.001 15.697 27.750 1.00 14.76 N ATOM 446 CA GLU 54 37.754 14.447 27.653 1.00 12.01 C ATOM 447 C GLU 54 38.007 14.084 26.193 1.00 13.92 C ATOM 448 O GLU 54 39.091 13.628 25.840 1.00 16.91 O ATOM 449 CB GLU 54 37.012 13.318 28.349 1.00 14.48 C ATOM 450 CG GLU 54 37.169 13.386 29.849 1.00 26.43 C ATOM 451 CD GLU 54 36.329 12.375 30.591 1.00 25.73 C ATOM 452 OE1 GLU 54 35.543 11.658 29.949 1.00 31.69 O ATOM 453 OE2 GLU 54 36.450 12.312 31.831 1.00 32.06 O ATOM 454 N MET 55 37.008 14.300 25.348 1.00 16.12 N ATOM 455 CA MET 55 37.144 14.011 23.920 1.00 16.52 C ATOM 456 C MET 55 38.235 14.878 23.279 1.00 16.13 C ATOM 457 O MET 55 39.064 14.380 22.512 1.00 15.55 O ATOM 458 CB MET 55 35.809 14.235 23.208 1.00 17.00 C ATOM 459 CG MET 55 34.780 13.162 23.508 1.00 18.13 C ATOM 460 SD MET 55 33.194 13.514 22.756 1.00 20.02 S ATOM 461 CE MET 55 32.134 12.411 23.734 1.00 19.47 C ATOM 462 N LYS 56 38.259 16.160 23.636 1.00 14.64 N ATOM 463 CA LYS 56 39.245 17.094 23.089 1.00 19.54 C ATOM 464 C LYS 56 40.662 16.723 23.470 1.00 22.06 C ATOM 465 O LYS 56 41.604 16.981 22.722 1.00 23.54 O ATOM 466 CB LYS 56 38.972 18.515 23.580 1.00 20.18 C ATOM 467 CG LYS 56 37.814 19.216 22.912 1.00 33.45 C ATOM 468 CD LYS 56 37.654 20.603 23.507 1.00 39.86 C ATOM 469 CE LYS 56 36.505 21.355 22.883 1.00 61.63 C ATOM 470 NZ LYS 56 36.276 22.653 23.577 1.00 74.51 N ATOM 471 N ALA 57 40.798 16.113 24.642 1.00 18.72 N ATOM 472 CA ALA 57 42.087 15.711 25.182 1.00 18.55 C ATOM 473 C ALA 57 42.570 14.350 24.715 1.00 18.49 C ATOM 474 O ALA 57 43.726 14.012 24.894 1.00 19.22 O ATOM 475 CB ALA 57 42.018 15.735 26.704 1.00 18.54 C ATOM 476 N SER 58 41.688 13.572 24.103 1.00 18.63 N ATOM 477 CA SER 58 42.033 12.232 23.658 1.00 18.19 C ATOM 478 C SER 58 42.875 12.150 22.390 1.00 18.90 C ATOM 479 O SER 58 42.458 12.586 21.319 1.00 19.29 O ATOM 480 CB SER 58 40.762 11.408 23.488 1.00 17.72 C ATOM 481 OG SER 58 41.088 10.108 23.053 1.00 17.54 O ATOM 482 N GLU 59 44.052 11.548 22.515 1.00 20.60 N ATOM 483 CA GLU 59 44.953 11.377 21.386 1.00 21.93 C ATOM 484 C GLU 59 44.398 10.305 20.448 1.00 19.73 C ATOM 485 O GLU 59 44.576 10.378 19.236 1.00 21.80 O ATOM 486 CB GLU 59 46.341 10.976 21.888 1.00 29.78 C ATOM 487 CG GLU 59 47.460 11.873 21.392 1.00 54.96 C ATOM 488 CD GLU 59 47.238 13.337 21.726 1.00 61.96 C ATOM 489 OE1 GLU 59 46.893 13.655 22.886 1.00 67.45 O ATOM 490 OE2 GLU 59 47.419 14.173 20.820 1.00 50.71 O ATOM 491 N ASP 60 43.723 9.310 21.020 1.00 15.00 N ATOM 492 CA ASP 60 43.131 8.238 20.236 1.00 12.99 C ATOM 493 C ASP 60 42.008 8.748 19.348 1.00 15.44 C ATOM 494 O ASP 60 41.856 8.285 18.221 1.00 18.84 O ATOM 495 CB ASP 60 42.574 7.138 21.138 1.00 16.99 C ATOM 496 CG ASP 60 43.650 6.195 21.647 1.00 29.43 C ATOM 497 OD1 ASP 60 44.687 6.025 20.969 1.00 34.12 O ATOM 498 OD2 ASP 60 43.447 5.614 22.728 1.00 38.12 O ATOM 499 N LEU 61 41.192 9.662 19.871 1.00 13.77 N ATOM 500 CA LEU 61 40.079 10.213 19.098 1.00 13.73 C ATOM 501 C LEU 61 40.640 11.089 17.978 1.00 13.86 C ATOM 502 O LEU 61 40.180 11.019 16.833 1.00 13.70 O ATOM 503 CB LEU 61 39.120 11.003 20.003 1.00 13.68 C ATOM 504 CG LEU 61 37.849 11.616 19.397 1.00 13.93 C ATOM 505 CD1 LEU 61 36.768 11.702 20.459 1.00 14.27 C ATOM 506 CD2 LEU 61 38.141 13.005 18.842 1.00 13.83 C ATOM 507 N LYS 62 41.663 11.882 18.296 1.00 8.72 N ATOM 508 CA LYS 62 42.278 12.735 17.277 1.00 14.29 C ATOM 509 C LYS 62 42.819 11.880 16.133 1.00 15.68 C ATOM 510 O LYS 62 42.600 12.195 14.969 1.00 13.87 O ATOM 511 CB LYS 62 43.405 13.597 17.866 1.00 18.20 C ATOM 512 CG LYS 62 44.117 14.455 16.821 1.00 18.75 C ATOM 513 CD LYS 62 44.745 15.685 17.434 1.00 40.62 C ATOM 514 CE LYS 62 45.886 15.330 18.356 1.00 53.65 C ATOM 515 NZ LYS 62 46.316 16.500 19.177 1.00 60.51 N ATOM 516 N LYS 63 43.477 10.772 16.471 1.00 10.66 N ATOM 517 CA LYS 63 44.028 9.882 15.451 1.00 13.30 C ATOM 518 C LYS 63 42.929 9.268 14.585 1.00 10.41 C ATOM 519 O LYS 63 43.103 9.082 13.388 1.00 14.16 O ATOM 520 CB LYS 63 44.883 8.784 16.090 1.00 21.76 C ATOM 521 CG LYS 63 46.102 9.333 16.844 1.00 43.10 C ATOM 522 CD LYS 63 47.195 8.279 17.047 1.00 63.52 C ATOM 523 CE LYS 63 46.857 7.259 18.126 1.00 72.49 C ATOM 524 NZ LYS 63 47.059 7.801 19.497 1.00 81.47 N ATOM 525 N ALA 64 41.795 8.953 15.196 1.00 11.10 N ATOM 526 CA ALA 64 40.678 8.361 14.468 1.00 10.65 C ATOM 527 C ALA 64 40.121 9.380 13.472 1.00 10.82 C ATOM 528 O ALA 64 39.698 9.019 12.376 1.00 10.68 O ATOM 529 CB ALA 64 39.591 7.936 15.445 1.00 10.54 C ATOM 530 N GLY 65 40.087 10.645 13.892 1.00 10.58 N ATOM 531 CA GLY 65 39.592 11.714 13.039 1.00 10.18 C ATOM 532 C GLY 65 40.507 11.907 11.839 1.00 10.33 C ATOM 533 O GLY 65 40.024 12.106 10.731 1.00 10.03 O ATOM 534 N VAL 66 41.822 11.849 12.057 1.00 9.96 N ATOM 535 CA VAL 66 42.787 12.005 10.970 1.00 10.73 C ATOM 536 C VAL 66 42.626 10.848 9.987 1.00 10.72 C ATOM 537 O VAL 66 42.689 11.038 8.777 1.00 11.43 O ATOM 538 CB VAL 66 44.246 12.051 11.501 1.00 10.75 C ATOM 539 CG1 VAL 66 45.249 11.916 10.336 1.00 11.02 C ATOM 540 CG2 VAL 66 44.495 13.367 12.246 1.00 10.52 C ATOM 541 N THR 67 42.366 9.662 10.513 1.00 10.64 N ATOM 542 CA THR 67 42.178 8.476 9.680 1.00 10.82 C ATOM 543 C THR 67 40.926 8.618 8.809 1.00 10.20 C ATOM 544 O THR 67 40.942 8.329 7.606 1.00 10.05 O ATOM 545 CB THR 67 42.088 7.232 10.571 1.00 11.70 C ATOM 546 OG1 THR 67 43.336 7.077 11.262 1.00 12.96 O ATOM 547 CG2 THR 67 41.802 5.974 9.759 1.00 11.99 C ATOM 548 N VAL 68 39.851 9.108 9.402 1.00 10.09 N ATOM 549 CA VAL 68 38.609 9.291 8.664 1.00 9.84 C ATOM 550 C VAL 68 38.788 10.296 7.525 1.00 10.25 C ATOM 551 O VAL 68 38.418 10.033 6.371 1.00 9.81 O ATOM 552 CB VAL 68 37.472 9.776 9.604 1.00 10.58 C ATOM 553 CG1 VAL 68 36.277 10.303 8.793 1.00 10.49 C ATOM 554 CG2 VAL 68 37.018 8.631 10.474 1.00 10.64 C ATOM 555 N LEU 69 39.375 11.444 7.838 1.00 10.19 N ATOM 556 CA LEU 69 39.557 12.480 6.826 1.00 10.49 C ATOM 557 C LEU 69 40.539 12.139 5.729 1.00 10.34 C ATOM 558 O LEU 69 40.320 12.505 4.579 1.00 10.71 O ATOM 559 CB LEU 69 39.907 13.824 7.461 1.00 11.16 C ATOM 560 CG LEU 69 38.813 14.427 8.339 1.00 12.35 C ATOM 561 CD1 LEU 69 39.243 15.834 8.732 1.00 12.65 C ATOM 562 CD2 LEU 69 37.478 14.464 7.601 1.00 13.73 C ATOM 563 N THR 70 41.619 11.453 6.075 1.00 9.99 N ATOM 564 CA THR 70 42.606 11.058 5.084 1.00 10.46 C ATOM 565 C THR 70 41.970 10.066 4.103 1.00 10.27 C ATOM 566 O THR 70 42.177 10.171 2.896 1.00 10.51 O ATOM 567 CB THR 70 43.842 10.427 5.765 1.00 11.25 C ATOM 568 OG1 THR 70 44.436 11.401 6.633 1.00 12.10 O ATOM 569 CG2 THR 70 44.877 9.988 4.725 1.00 12.16 C ATOM 570 N ALA 71 41.180 9.118 4.610 1.00 9.68 N ATOM 571 CA ALA 71 40.525 8.141 3.731 1.00 9.74 C ATOM 572 C ALA 71 39.451 8.811 2.860 1.00 9.86 C ATOM 573 O ALA 71 39.358 8.552 1.667 1.00 10.25 O ATOM 574 CB ALA 71 39.912 7.027 4.548 1.00 8.94 C ATOM 575 N LEU 72 38.650 9.689 3.458 1.00 10.05 N ATOM 576 CA LEU 72 37.599 10.384 2.724 1.00 10.08 C ATOM 577 C LEU 72 38.204 11.328 1.687 1.00 9.95 C ATOM 578 O LEU 72 37.706 11.435 0.569 1.00 10.46 O ATOM 579 CB LEU 72 36.698 11.156 3.690 1.00 10.55 C ATOM 580 CG LEU 72 35.546 11.915 3.032 1.00 11.55 C ATOM 581 CD1 LEU 72 34.687 10.941 2.228 1.00 12.61 C ATOM 582 CD2 LEU 72 34.711 12.658 4.091 1.00 12.72 C ATOM 583 N GLY 73 39.300 11.978 2.048 1.00 9.89 N ATOM 584 CA GLY 73 39.958 12.885 1.123 1.00 10.36 C ATOM 585 C GLY 73 40.455 12.148 -0.107 1.00 10.40 C ATOM 586 O GLY 73 40.346 12.651 -1.222 1.00 10.37 O ATOM 587 N ALA 74 40.976 10.941 0.081 1.00 10.61 N ATOM 588 CA ALA 74 41.494 10.163 -1.048 1.00 11.32 C ATOM 589 C ALA 74 40.356 9.795 -2.001 1.00 11.30 C ATOM 590 O ALA 74 40.520 9.801 -3.229 1.00 12.20 O ATOM 591 CB ALA 74 42.214 8.917 -0.548 1.00 11.47 C ATOM 592 N ILE 75 39.193 9.526 -1.423 1.00 10.72 N ATOM 593 CA ILE 75 38.004 9.168 -2.184 1.00 10.41 C ATOM 594 C ILE 75 37.489 10.375 -2.968 1.00 10.39 C ATOM 595 O ILE 75 37.261 10.288 -4.171 1.00 10.65 O ATOM 596 CB ILE 75 36.909 8.579 -1.229 1.00 10.59 C ATOM 597 CG1 ILE 75 37.318 7.155 -0.817 1.00 10.45 C ATOM 598 CG2 ILE 75 35.523 8.568 -1.888 1.00 9.92 C ATOM 599 CD1 ILE 75 36.584 6.618 0.393 1.00 12.29 C ATOM 600 N LEU 76 37.367 11.520 -2.309 1.00 9.93 N ATOM 601 CA LEU 76 36.873 12.713 -2.989 1.00 9.64 C ATOM 602 C LEU 76 37.765 13.147 -4.150 1.00 10.08 C ATOM 603 O LEU 76 37.269 13.585 -5.186 1.00 10.23 O ATOM 604 CB LEU 76 36.703 13.860 -1.999 1.00 9.03 C ATOM 605 CG LEU 76 35.641 13.696 -0.916 1.00 9.98 C ATOM 606 CD1 LEU 76 35.747 14.894 0.036 1.00 10.06 C ATOM 607 CD2 LEU 76 34.228 13.618 -1.528 1.00 9.33 C ATOM 608 N LYS 77 39.081 13.023 -3.985 1.00 6.59 N ATOM 609 CA LYS 77 40.007 13.419 -5.041 1.00 6.32 C ATOM 610 C LYS 77 39.931 12.539 -6.281 1.00 12.36 C ATOM 611 O LYS 77 40.459 12.904 -7.320 1.00 12.12 O ATOM 612 CB LYS 77 41.435 13.489 -4.508 1.00 10.42 C ATOM 613 CG LYS 77 41.635 14.621 -3.510 1.00 13.56 C ATOM 614 CD LYS 77 42.938 14.460 -2.765 1.00 12.31 C ATOM 615 CE LYS 77 43.140 15.595 -1.799 1.00 19.75 C ATOM 616 NZ LYS 77 44.455 15.492 -1.115 1.00 21.72 N ATOM 617 N LYS 78 39.288 11.374 -6.168 1.00 12.38 N ATOM 618 CA LYS 78 39.110 10.475 -7.319 1.00 13.90 C ATOM 619 C LYS 78 37.963 10.966 -8.203 1.00 14.28 C ATOM 620 O LYS 78 37.730 10.435 -9.289 1.00 15.58 O ATOM 621 CB LYS 78 38.811 9.032 -6.873 1.00 11.74 C ATOM 622 CG LYS 78 39.925 8.360 -6.070 1.00 20.95 C ATOM 623 CD LYS 78 41.294 8.474 -6.744 1.00 25.45 C ATOM 624 CE LYS 78 41.363 7.699 -8.048 1.00 29.25 C ATOM 625 NZ LYS 78 41.213 6.242 -7.823 1.00 51.61 N ATOM 626 N LYS 79 37.200 11.926 -7.687 1.00 7.71 N ATOM 627 CA LYS 79 36.080 12.514 -8.413 1.00 9.68 C ATOM 628 C LYS 79 35.095 11.490 -8.979 1.00 14.76 C ATOM 629 O LYS 79 34.706 11.553 -10.146 1.00 13.18 O ATOM 630 CB LYS 79 36.609 13.452 -9.508 1.00 9.57 C ATOM 631 CG LYS 79 37.354 14.648 -8.941 1.00 13.96 C ATOM 632 CD LYS 79 38.263 15.304 -9.945 1.00 22.47 C ATOM 633 CE LYS 79 37.497 15.907 -11.080 1.00 27.28 C ATOM 634 NZ LYS 79 38.412 16.719 -11.940 1.00 38.86 N ATOM 635 N GLY 80 34.696 10.542 -8.138 1.00 11.55 N ATOM 636 CA GLY 80 33.734 9.535 -8.554 1.00 11.69 C ATOM 637 C GLY 80 34.297 8.194 -9.002 1.00 12.40 C ATOM 638 O GLY 80 33.560 7.206 -9.030 1.00 12.61 O ATOM 639 N HIS 81 35.579 8.147 -9.363 1.00 12.24 N ATOM 640 CA HIS 81 36.215 6.911 -9.823 1.00 12.56 C ATOM 641 C HIS 81 36.891 6.297 -8.621 1.00 12.80 C ATOM 642 O HIS 81 38.101 6.113 -8.604 1.00 13.05 O ATOM 643 CB HIS 81 37.251 7.260 -10.889 1.00 13.85 C ATOM 644 CG HIS 81 36.662 7.872 -12.126 1.00 17.82 C ATOM 645 ND1 HIS 81 36.554 9.228 -12.348 1.00 20.01 N ATOM 646 CD2 HIS 81 36.152 7.280 -13.235 1.00 14.86 C ATOM 647 CE1 HIS 81 35.999 9.404 -13.555 1.00 18.63 C ATOM 648 NE2 HIS 81 35.736 8.247 -14.132 1.00 20.38 N ATOM 649 N HIS 82 36.084 5.919 -7.639 1.00 13.33 N ATOM 650 CA HIS 82 36.603 5.426 -6.359 1.00 13.54 C ATOM 651 C HIS 82 36.306 3.973 -6.001 1.00 13.89 C ATOM 652 O HIS 82 36.385 3.590 -4.827 1.00 14.05 O ATOM 653 CB HIS 82 36.043 6.330 -5.254 1.00 10.72 C ATOM 654 CG HIS 82 34.554 6.447 -5.288 1.00 10.65 C ATOM 655 ND1 HIS 82 33.864 7.624 -5.108 1.00 12.53 N ATOM 656 CD2 HIS 82 33.608 5.503 -5.528 1.00 11.94 C ATOM 657 CE1 HIS 82 32.556 7.360 -5.240 1.00 14.48 C ATOM 658 NE2 HIS 82 32.350 6.084 -5.498 1.00 14.32 N ATOM 659 N GLU 83 35.936 3.173 -6.990 1.00 16.30 N ATOM 660 CA GLU 83 35.622 1.774 -6.734 1.00 17.14 C ATOM 661 C GLU 83 36.715 1.037 -5.965 1.00 21.36 C ATOM 662 O GLU 83 36.423 0.370 -4.975 1.00 17.53 O ATOM 663 CB GLU 83 35.260 1.039 -8.037 1.00 23.83 C ATOM 664 CG GLU 83 36.100 1.399 -9.273 1.00 53.77 C ATOM 665 CD GLU 83 35.798 2.788 -9.860 1.00 57.01 C ATOM 666 OE1 GLU 83 34.656 3.285 -9.704 1.00 57.45 O ATOM 667 OE2 GLU 83 36.714 3.384 -10.472 1.00 42.54 O ATOM 668 N ALA 84 37.976 1.227 -6.357 1.00 21.49 N ATOM 669 CA ALA 84 39.091 0.564 -5.684 1.00 21.34 C ATOM 670 C ALA 84 39.243 0.969 -4.229 1.00 21.53 C ATOM 671 O ALA 84 39.506 0.127 -3.376 1.00 21.57 O ATOM 672 CB ALA 84 40.380 0.815 -6.422 1.00 21.47 C ATOM 673 N GLU 85 39.111 2.261 -3.948 1.00 17.24 N ATOM 674 CA GLU 85 39.228 2.769 -2.577 1.00 19.87 C ATOM 675 C GLU 85 38.078 2.320 -1.680 1.00 22.45 C ATOM 676 O GLU 85 38.260 2.141 -0.476 1.00 21.28 O ATOM 677 CB GLU 85 39.269 4.310 -2.560 1.00 18.49 C ATOM 678 CG GLU 85 40.553 4.931 -3.088 1.00 20.74 C ATOM 679 CD GLU 85 40.709 4.778 -4.590 1.00 29.20 C ATOM 680 OE1 GLU 85 39.687 4.790 -5.305 1.00 26.33 O ATOM 681 OE2 GLU 85 41.855 4.652 -5.061 1.00 43.47 O ATOM 682 N LEU 86 36.903 2.139 -2.275 1.00 18.57 N ATOM 683 CA LEU 86 35.707 1.759 -1.543 1.00 18.89 C ATOM 684 C LEU 86 35.621 0.315 -1.065 1.00 18.82 C ATOM 685 O LEU 86 34.994 0.033 -0.051 1.00 18.14 O ATOM 686 CB LEU 86 34.480 2.057 -2.399 1.00 20.41 C ATOM 687 CG LEU 86 33.370 2.879 -1.763 1.00 21.85 C ATOM 688 CD1 LEU 86 33.883 4.279 -1.451 1.00 22.52 C ATOM 689 CD2 LEU 86 32.206 2.957 -2.741 1.00 22.72 C ATOM 690 N LYS 87 36.228 -0.602 -1.806 1.00 16.40 N ATOM 691 CA LYS 87 36.169 -2.019 -1.465 1.00 15.31 C ATOM 692 C LYS 87 36.625 -2.407 -0.054 1.00 14.49 C ATOM 693 O LYS 87 35.848 -2.969 0.717 1.00 16.10 O ATOM 694 CB LYS 87 36.912 -2.832 -2.526 1.00 15.87 C ATOM 695 CG LYS 87 36.326 -2.639 -3.891 1.00 32.93 C ATOM 696 CD LYS 87 37.231 -3.154 -4.987 1.00 48.07 C ATOM 697 CE LYS 87 37.152 -4.652 -5.116 1.00 45.65 C ATOM 698 NZ LYS 87 37.633 -5.076 -6.461 1.00 47.04 N ATOM 699 N PRO 88 37.877 -2.090 0.314 1.00 13.98 N ATOM 700 CA PRO 88 38.327 -2.458 1.655 1.00 13.58 C ATOM 701 C PRO 88 37.568 -1.720 2.754 1.00 13.66 C ATOM 702 O PRO 88 37.344 -2.266 3.835 1.00 13.81 O ATOM 703 CB PRO 88 39.812 -2.089 1.621 1.00 14.37 C ATOM 704 CG PRO 88 39.871 -0.954 0.629 1.00 14.03 C ATOM 705 CD PRO 88 38.953 -1.426 -0.448 1.00 14.51 C ATOM 706 N LEU 89 37.162 -0.485 2.467 1.00 13.19 N ATOM 707 CA LEU 89 36.431 0.338 3.422 1.00 13.03 C ATOM 708 C LEU 89 35.046 -0.252 3.702 1.00 12.64 C ATOM 709 O LEU 89 34.594 -0.307 4.848 1.00 12.09 O ATOM 710 CB LEU 89 36.291 1.751 2.844 1.00 14.71 C ATOM 711 CG LEU 89 35.582 2.798 3.690 1.00 16.03 C ATOM 712 CD1 LEU 89 36.384 3.014 4.977 1.00 17.45 C ATOM 713 CD2 LEU 89 35.472 4.095 2.894 1.00 17.33 C ATOM 714 N ALA 90 34.366 -0.676 2.643 1.00 11.94 N ATOM 715 CA ALA 90 33.038 -1.264 2.766 1.00 11.43 C ATOM 716 C ALA 90 33.174 -2.580 3.501 1.00 11.36 C ATOM 717 O ALA 90 32.392 -2.881 4.394 1.00 10.87 O ATOM 718 CB ALA 90 32.440 -1.489 1.395 1.00 12.18 C ATOM 719 N GLN 91 34.206 -3.351 3.176 1.00 11.20 N ATOM 720 CA GLN 91 34.378 -4.627 3.869 1.00 11.15 C ATOM 721 C GLN 91 34.607 -4.487 5.370 1.00 11.16 C ATOM 722 O GLN 91 33.958 -5.168 6.150 1.00 11.00 O ATOM 723 CB GLN 91 35.493 -5.483 3.263 1.00 11.20 C ATOM 724 CG GLN 91 35.580 -6.851 3.948 1.00 13.56 C ATOM 725 CD GLN 91 36.645 -7.749 3.361 1.00 19.17 C ATOM 726 OE1 GLN 91 37.748 -7.309 3.086 1.00 14.73 O ATOM 727 NE2 GLN 91 36.321 -9.022 3.188 1.00 11.18 N ATOM 728 N SER 92 35.530 -3.629 5.792 1.00 11.05 N ATOM 729 CA SER 92 35.759 -3.488 7.229 1.00 11.24 C ATOM 730 C SER 92 34.571 -2.885 7.976 1.00 11.52 C ATOM 731 O SER 92 34.223 -3.342 9.064 1.00 11.73 O ATOM 732 CB SER 92 37.018 -2.678 7.511 1.00 11.25 C ATOM 733 OG SER 92 36.847 -1.334 7.112 1.00 12.35 O ATOM 734 N HIS 93 33.919 -1.882 7.400 1.00 11.27 N ATOM 735 CA HIS 93 32.792 -1.265 8.094 1.00 11.80 C ATOM 736 C HIS 93 31.525 -2.108 8.145 1.00 12.25 C ATOM 737 O HIS 93 30.716 -1.968 9.058 1.00 12.33 O ATOM 738 CB HIS 93 32.535 0.139 7.556 1.00 10.39 C ATOM 739 CG HIS 93 33.597 1.102 7.955 1.00 7.06 C ATOM 740 ND1 HIS 93 34.923 0.901 7.644 1.00 14.63 N ATOM 741 CD2 HIS 93 33.558 2.192 8.753 1.00 11.89 C ATOM 742 CE1 HIS 93 35.660 1.819 8.240 1.00 13.46 C ATOM 743 NE2 HIS 93 34.856 2.619 8.919 1.00 13.00 N ATOM 744 N ALA 94 31.363 -2.999 7.177 1.00 12.99 N ATOM 745 CA ALA 94 30.203 -3.879 7.162 1.00 14.15 C ATOM 746 C ALA 94 30.443 -5.125 8.025 1.00 14.92 C ATOM 747 O ALA 94 29.643 -5.446 8.899 1.00 15.88 O ATOM 748 CB ALA 94 29.888 -4.316 5.729 1.00 13.95 C ATOM 749 N THR 95 31.600 -5.749 7.839 1.00 15.36 N ATOM 750 CA THR 95 31.942 -7.011 8.499 1.00 15.76 C ATOM 751 C THR 95 32.634 -6.974 9.845 1.00 16.40 C ATOM 752 O THR 95 32.323 -7.792 10.712 1.00 17.41 O ATOM 753 CB THR 95 32.797 -7.876 7.551 1.00 16.12 C ATOM 754 OG1 THR 95 32.200 -7.865 6.254 1.00 16.21 O ATOM 755 CG2 THR 95 32.886 -9.318 8.042 1.00 15.32 C ATOM 756 N LYS 96 33.604 -6.080 10.010 1.00 14.49 N ATOM 757 CA LYS 96 34.339 -5.999 11.269 1.00 13.81 C ATOM 758 C LYS 96 33.683 -5.042 12.268 1.00 15.37 C ATOM 759 O LYS 96 33.266 -5.446 13.352 1.00 23.84 O ATOM 760 CB LYS 96 35.791 -5.581 11.006 1.00 15.51 C ATOM 761 CG LYS 96 36.680 -5.666 12.247 1.00 22.79 C ATOM 762 CD LYS 96 38.038 -5.009 12.041 1.00 43.86 C ATOM 763 CE LYS 96 39.128 -6.005 11.662 1.00 64.91 C ATOM 764 NZ LYS 96 38.985 -6.572 10.295 1.00 62.45 N ATOM 765 N HIS 97 33.538 -3.784 11.866 1.00 15.38 N ATOM 766 CA HIS 97 32.959 -2.738 12.713 1.00 15.66 C ATOM 767 C HIS 97 31.431 -2.718 12.815 1.00 15.94 C ATOM 768 O HIS 97 30.899 -2.222 13.801 1.00 16.66 O ATOM 769 CB HIS 97 33.453 -1.373 12.229 1.00 14.52 C ATOM 770 CG HIS 97 34.919 -1.339 11.938 1.00 13.89 C ATOM 771 ND1 HIS 97 35.878 -1.898 12.753 1.00 14.09 N ATOM 772 CD2 HIS 97 35.592 -0.822 10.878 1.00 12.59 C ATOM 773 CE1 HIS 97 37.080 -1.708 12.180 1.00 13.26 C ATOM 774 NE2 HIS 97 36.959 -1.059 11.039 1.00 12.61 N ATOM 775 N LYS 98 30.740 -3.225 11.788 1.00 17.77 N ATOM 776 CA LYS 98 29.266 -3.269 11.724 1.00 21.81 C ATOM 777 C LYS 98 28.608 -1.896 11.868 1.00 24.76 C ATOM 778 O LYS 98 27.818 -1.649 12.779 1.00 18.78 O ATOM 779 CB LYS 98 28.702 -4.263 12.748 1.00 27.28 C ATOM 780 CG LYS 98 28.485 -5.660 12.177 1.00 50.07 C ATOM 781 CD LYS 98 29.123 -6.751 13.019 1.00 50.17 C ATOM 782 CE LYS 98 30.630 -6.732 12.886 1.00 63.11 C ATOM 783 NZ LYS 98 31.292 -7.959 13.425 1.00 51.62 N ATOM 784 N ILE 99 28.911 -1.026 10.911 1.00 18.32 N ATOM 785 CA ILE 99 28.413 0.337 10.882 1.00 17.72 C ATOM 786 C ILE 99 27.241 0.480 9.921 1.00 18.03 C ATOM 787 O ILE 99 27.407 0.396 8.699 1.00 18.32 O ATOM 788 CB ILE 99 29.532 1.313 10.411 1.00 17.43 C ATOM 789 CG1 ILE 99 30.821 1.109 11.230 1.00 17.21 C ATOM 790 CG2 ILE 99 29.023 2.764 10.417 1.00 17.35 C ATOM 791 CD1 ILE 99 30.652 1.114 12.750 1.00 17.14 C ATOM 792 N PRO 100 26.041 0.737 10.454 1.00 18.18 N ATOM 793 CA PRO 100 24.892 0.889 9.554 1.00 18.77 C ATOM 794 C PRO 100 24.976 2.161 8.703 1.00 19.04 C ATOM 795 O PRO 100 25.634 3.129 9.086 1.00 18.81 O ATOM 796 CB PRO 100 23.693 0.900 10.520 1.00 18.76 C ATOM 797 CG PRO 100 24.274 1.377 11.810 1.00 18.52 C ATOM 798 CD PRO 100 25.624 0.718 11.868 1.00 18.47 C ATOM 799 N ILE 101 24.339 2.139 7.536 1.00 19.39 N ATOM 800 CA ILE 101 24.329 3.292 6.631 1.00 20.23 C ATOM 801 C ILE 101 23.859 4.539 7.360 1.00 20.22 C ATOM 802 O ILE 101 24.303 5.645 7.068 1.00 20.58 O ATOM 803 CB ILE 101 23.396 3.036 5.397 1.00 20.90 C ATOM 804 CG1 ILE 101 23.974 1.915 4.526 1.00 21.69 C ATOM 805 CG2 ILE 101 23.173 4.314 4.589 1.00 21.19 C ATOM 806 CD1 ILE 101 25.420 2.149 4.080 1.00 22.66 C ATOM 807 N LYS 102 22.955 4.334 8.311 1.00 15.20 N ATOM 808 CA LYS 102 22.379 5.389 9.128 1.00 21.32 C ATOM 809 C LYS 102 23.485 6.228 9.759 1.00 13.06 C ATOM 810 O LYS 102 23.404 7.455 9.784 1.00 16.30 O ATOM 811 CB LYS 102 21.523 4.739 10.227 1.00 30.45 C ATOM 812 CG LYS 102 20.797 5.684 11.164 1.00 48.16 C ATOM 813 CD LYS 102 19.698 6.452 10.451 1.00 61.25 C ATOM 814 CE LYS 102 18.846 7.202 11.458 1.00 72.91 C ATOM 815 NZ LYS 102 17.920 8.200 10.858 1.00 79.71 N ATOM 816 N TYR 103 24.518 5.561 10.260 1.00 11.33 N ATOM 817 CA TYR 103 25.632 6.256 10.901 1.00 11.22 C ATOM 818 C TYR 103 26.486 7.019 9.894 1.00 10.83 C ATOM 819 O TYR 103 27.180 7.974 10.261 1.00 10.34 O ATOM 820 CB TYR 103 26.501 5.283 11.698 1.00 12.02 C ATOM 821 CG TYR 103 25.859 4.735 12.966 1.00 13.21 C ATOM 822 CD1 TYR 103 24.515 4.946 13.247 1.00 14.16 C ATOM 823 CD2 TYR 103 26.610 3.983 13.873 1.00 13.80 C ATOM 824 CE1 TYR 103 23.926 4.413 14.407 1.00 15.23 C ATOM 825 CE2 TYR 103 26.042 3.454 15.019 1.00 14.79 C ATOM 826 CZ TYR 103 24.704 3.668 15.281 1.00 15.43 C ATOM 827 OH TYR 103 24.141 3.121 16.412 1.00 17.32 O ATOM 828 N LEU 104 26.487 6.566 8.638 1.00 10.91 N ATOM 829 CA LEU 104 27.250 7.268 7.600 1.00 10.95 C ATOM 830 C LEU 104 26.497 8.551 7.255 1.00 10.90 C ATOM 831 O LEU 104 27.095 9.541 6.851 1.00 10.38 O ATOM 832 CB LEU 104 27.461 6.392 6.359 1.00 11.55 C ATOM 833 CG LEU 104 28.243 5.115 6.668 1.00 12.08 C ATOM 834 CD1 LEU 104 28.328 4.263 5.432 1.00 13.00 C ATOM 835 CD2 LEU 104 29.619 5.461 7.157 1.00 12.57 C ATOM 836 N GLU 105 25.174 8.528 7.406 1.00 10.57 N ATOM 837 CA GLU 105 24.389 9.728 7.169 1.00 9.30 C ATOM 838 C GLU 105 24.700 10.716 8.306 1.00 13.86 C ATOM 839 O GLU 105 24.866 11.916 8.071 1.00 12.19 O ATOM 840 CB GLU 105 22.898 9.397 7.136 1.00 15.20 C ATOM 841 CG GLU 105 22.482 8.739 5.831 1.00 27.76 C ATOM 842 CD GLU 105 21.056 8.226 5.838 1.00 38.89 C ATOM 843 OE1 GLU 105 20.238 8.703 6.648 1.00 35.62 O ATOM 844 OE2 GLU 105 20.752 7.331 5.027 1.00 38.64 O ATOM 845 N PHE 106 24.805 10.197 9.530 1.00 10.92 N ATOM 846 CA PHE 106 25.108 11.027 10.698 1.00 11.11 C ATOM 847 C PHE 106 26.457 11.727 10.580 1.00 11.11 C ATOM 848 O PHE 106 26.586 12.911 10.918 1.00 10.96 O ATOM 849 CB PHE 106 25.124 10.182 11.966 1.00 11.90 C ATOM 850 CG PHE 106 23.777 9.650 12.370 1.00 13.28 C ATOM 851 CD1 PHE 106 22.611 10.168 11.824 1.00 14.16 C ATOM 852 CD2 PHE 106 23.682 8.661 13.336 1.00 13.64 C ATOM 853 CE1 PHE 106 21.356 9.707 12.240 1.00 15.28 C ATOM 854 CE2 PHE 106 22.439 8.194 13.759 1.00 14.65 C ATOM 855 CZ PHE 106 21.280 8.721 13.211 1.00 15.22 C ATOM 856 N ILE 107 27.477 11.004 10.126 1.00 10.55 N ATOM 857 CA ILE 107 28.787 11.635 10.013 1.00 10.14 C ATOM 858 C ILE 107 28.804 12.625 8.848 1.00 10.39 C ATOM 859 O ILE 107 29.532 13.614 8.890 1.00 9.64 O ATOM 860 CB ILE 107 29.955 10.606 9.921 1.00 10.51 C ATOM 861 CG1 ILE 107 31.281 11.292 10.327 1.00 10.17 C ATOM 862 CG2 ILE 107 30.034 9.996 8.517 1.00 9.97 C ATOM 863 CD1 ILE 107 32.466 10.334 10.499 1.00 10.76 C ATOM 864 N SER 108 27.967 12.382 7.837 1.00 10.13 N ATOM 865 CA SER 108 27.885 13.281 6.687 1.00 10.34 C ATOM 866 C SER 108 27.352 14.630 7.142 1.00 10.73 C ATOM 867 O SER 108 27.819 15.671 6.686 1.00 10.50 O ATOM 868 CB SER 108 26.983 12.703 5.604 1.00 10.68 C ATOM 869 OG SER 108 27.593 11.559 5.015 1.00 12.10 O ATOM 870 N GLU 109 26.408 14.598 8.082 1.00 8.69 N ATOM 871 CA GLU 109 25.804 15.806 8.628 1.00 9.14 C ATOM 872 C GLU 109 26.812 16.539 9.497 1.00 6.68 C ATOM 873 O GLU 109 26.839 17.774 9.522 1.00 10.73 O ATOM 874 CB GLU 109 24.565 15.451 9.460 1.00 15.27 C ATOM 875 CG GLU 109 23.978 16.629 10.235 1.00 35.60 C ATOM 876 CD GLU 109 22.837 16.222 11.158 1.00 60.12 C ATOM 877 OE1 GLU 109 22.997 15.249 11.936 1.00 59.25 O ATOM 878 OE2 GLU 109 21.778 16.887 11.108 1.00 68.94 O ATOM 879 N ALA 110 27.638 15.785 10.214 1.00 7.33 N ATOM 880 CA ALA 110 28.653 16.397 11.071 1.00 7.34 C ATOM 881 C ALA 110 29.708 17.093 10.212 1.00 7.79 C ATOM 882 O ALA 110 30.213 18.160 10.579 1.00 8.04 O ATOM 883 CB ALA 110 29.318 15.346 11.972 1.00 7.61 C ATOM 884 N ILE 111 30.029 16.502 9.064 1.00 7.42 N ATOM 885 CA ILE 111 31.027 17.096 8.174 1.00 8.01 C ATOM 886 C ILE 111 30.493 18.411 7.622 1.00 8.43 C ATOM 887 O ILE 111 31.180 19.427 7.625 1.00 8.53 O ATOM 888 CB ILE 111 31.382 16.130 7.014 1.00 8.16 C ATOM 889 CG1 ILE 111 32.207 14.960 7.553 1.00 7.94 C ATOM 890 CG2 ILE 111 32.146 16.875 5.907 1.00 8.37 C ATOM 891 CD1 ILE 111 32.269 13.769 6.631 1.00 8.87 C ATOM 892 N ILE 112 29.246 18.400 7.186 1.00 8.68 N ATOM 893 CA ILE 112 28.643 19.614 6.646 1.00 10.12 C ATOM 894 C ILE 112 28.550 20.738 7.698 1.00 10.31 C ATOM 895 O ILE 112 28.850 21.896 7.397 1.00 10.39 O ATOM 896 CB ILE 112 27.271 19.299 6.011 1.00 10.61 C ATOM 897 CG1 ILE 112 27.498 18.490 4.728 1.00 11.44 C ATOM 898 CG2 ILE 112 26.482 20.607 5.730 1.00 11.49 C ATOM 899 CD1 ILE 112 26.241 17.839 4.179 1.00 12.82 C ATOM 900 N HIS 113 28.216 20.375 8.939 1.00 10.42 N ATOM 901 CA HIS 113 28.103 21.344 10.020 1.00 10.49 C ATOM 902 C HIS 113 29.455 21.994 10.314 1.00 10.76 C ATOM 903 O HIS 113 29.549 23.211 10.450 1.00 11.11 O ATOM 904 CB HIS 113 27.554 20.662 11.282 1.00 12.95 C ATOM 905 CG HIS 113 27.553 21.539 12.500 1.00 17.44 C ATOM 906 ND1 HIS 113 26.448 22.217 12.966 1.00 23.03 N ATOM 907 CD2 HIS 113 28.557 21.842 13.362 1.00 19.26 C ATOM 908 CE1 HIS 113 26.808 22.893 14.068 1.00 22.28 C ATOM 909 NE2 HIS 113 28.081 22.695 14.348 1.00 23.07 N ATOM 910 N VAL 114 30.508 21.188 10.397 1.00 10.13 N ATOM 911 CA VAL 114 31.830 21.724 10.684 1.00 10.03 C ATOM 912 C VAL 114 32.381 22.605 9.547 1.00 10.14 C ATOM 913 O VAL 114 32.944 23.661 9.814 1.00 10.13 O ATOM 914 CB VAL 114 32.812 20.588 11.064 1.00 10.51 C ATOM 915 CG1 VAL 114 34.246 21.110 11.135 1.00 10.11 C ATOM 916 CG2 VAL 114 32.398 20.007 12.405 1.00 9.35 C ATOM 917 N LEU 115 32.240 22.179 8.289 1.00 9.97 N ATOM 918 CA LEU 115 32.713 23.011 7.173 1.00 10.17 C ATOM 919 C LEU 115 31.950 24.331 7.160 1.00 10.41 C ATOM 920 O LEU 115 32.515 25.381 6.875 1.00 10.19 O ATOM 921 CB LEU 115 32.532 22.315 5.822 1.00 10.42 C ATOM 922 CG LEU 115 33.339 21.030 5.615 1.00 12.07 C ATOM 923 CD1 LEU 115 33.300 20.605 4.173 1.00 12.97 C ATOM 924 CD2 LEU 115 34.752 21.264 6.016 1.00 13.34 C ATOM 925 N HIS 116 30.651 24.266 7.450 1.00 10.67 N ATOM 926 CA HIS 116 29.821 25.460 7.487 1.00 11.51 C ATOM 927 C HIS 116 30.304 26.403 8.593 1.00 12.32 C ATOM 928 O HIS 116 30.339 27.620 8.388 1.00 12.36 O ATOM 929 CB HIS 116 28.349 25.083 7.700 1.00 13.42 C ATOM 930 CG HIS 116 27.430 26.260 7.851 1.00 16.07 C ATOM 931 ND1 HIS 116 26.931 26.995 6.798 1.00 22.58 N ATOM 932 CD2 HIS 116 26.907 26.822 8.970 1.00 15.62 C ATOM 933 CE1 HIS 116 26.141 27.956 7.303 1.00 16.64 C ATOM 934 NE2 HIS 116 26.096 27.890 8.618 1.00 20.44 N ATOM 935 N SER 117 30.689 25.852 9.746 1.00 12.40 N ATOM 936 CA SER 117 31.176 26.680 10.858 1.00 13.42 C ATOM 937 C SER 117 32.549 27.294 10.598 1.00 13.19 C ATOM 938 O SER 117 32.742 28.489 10.823 1.00 13.50 O ATOM 939 CB SER 117 31.288 25.879 12.165 1.00 14.20 C ATOM 940 OG SER 117 30.065 25.256 12.503 1.00 18.35 O ATOM 941 N ARG 118 33.490 26.483 10.110 1.00 12.21 N ATOM 942 CA ARG 118 34.861 26.948 9.886 1.00 11.87 C ATOM 943 C ARG 118 35.188 27.644 8.578 1.00 12.00 C ATOM 944 O ARG 118 36.150 28.408 8.522 1.00 12.02 O ATOM 945 CB ARG 118 35.852 25.796 10.103 1.00 11.86 C ATOM 946 CG ARG 118 35.912 25.310 11.552 1.00 16.68 C ATOM 947 CD ARG 118 36.826 24.094 11.730 1.00 13.63 C ATOM 948 NE ARG 118 38.225 24.415 11.481 1.00 20.08 N ATOM 949 CZ ARG 118 39.254 23.864 12.121 1.00 27.30 C ATOM 950 NH1 ARG 118 39.056 22.964 13.080 1.00 13.60 N ATOM 951 NH2 ARG 118 40.492 24.223 11.801 1.00 16.09 N ATOM 952 N HIS 119 34.387 27.414 7.536 1.00 11.48 N ATOM 953 CA HIS 119 34.654 28.007 6.223 1.00 11.65 C ATOM 954 C HIS 119 33.431 28.664 5.604 1.00 12.44 C ATOM 955 O HIS 119 33.080 28.373 4.455 1.00 12.47 O ATOM 956 CB HIS 119 35.161 26.911 5.273 1.00 9.10 C ATOM 957 CG HIS 119 36.305 26.130 5.832 1.00 11.96 C ATOM 958 ND1 HIS 119 37.593 26.606 5.905 1.00 10.79 N ATOM 959 CD2 HIS 119 36.322 24.921 6.448 1.00 6.08 C ATOM 960 CE1 HIS 119 38.325 25.696 6.562 1.00 9.70 C ATOM 961 NE2 HIS 119 37.591 24.654 6.907 1.00 10.06 N ATOM 962 N PRO 120 32.809 29.616 6.316 1.00 13.22 N ATOM 963 CA PRO 120 31.619 30.265 5.760 1.00 14.02 C ATOM 964 C PRO 120 31.799 30.908 4.385 1.00 14.67 C ATOM 965 O PRO 120 30.903 30.840 3.547 1.00 15.54 O ATOM 966 CB PRO 120 31.239 31.275 6.848 1.00 14.34 C ATOM 967 CG PRO 120 32.537 31.559 7.540 1.00 13.87 C ATOM 968 CD PRO 120 33.169 30.202 7.620 1.00 13.24 C ATOM 969 N GLY 121 32.982 31.446 4.125 1.00 15.20 N ATOM 970 CA GLY 121 33.239 32.095 2.850 1.00 15.19 C ATOM 971 C GLY 121 33.418 31.135 1.693 1.00 15.61 C ATOM 972 O GLY 121 33.197 31.510