REMARK Name = BDB058200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C HIS A 9 7.864 -3.267 0.509 0.00 0.00 +0.234 C ATOM 2 N ALA A 10 8.168 -1.943 0.324 0.00 0.00 -0.303 N ATOM 3 H ALA A 10 8.877 -1.676 1.001 0.00 0.00 +0.149 HD ATOM 4 O HIS A 9 8.037 -3.753 1.628 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 CA ALA A 10 7.106 -0.916 0.255 0.00 0.00 +0.156 C ATOM 6 CB ALA A 10 7.001 -0.266 1.635 0.00 0.00 +0.038 C BRANCH 5 7 ATOM 7 C ALA A 10 7.439 0.103 -0.860 0.00 0.00 +0.234 C ATOM 8 N TYR A 11 6.622 1.166 -1.132 0.00 0.00 -0.302 N ATOM 9 H TYR A 11 6.939 1.665 -1.953 0.00 0.00 +0.150 HD ATOM 10 O ALA A 10 8.464 0.013 -1.548 0.00 0.00 -0.274 OA BRANCH 8 11 ATOM 11 CA TYR A 11 5.228 1.392 -0.734 0.00 0.00 +0.163 C BRANCH 11 12 ATOM 12 C TYR A 11 4.305 0.968 -1.899 0.00 0.00 +0.234 C ATOM 13 N LEU A 12 4.043 1.925 -2.865 0.00 0.00 -0.302 N ATOM 14 H LEU A 12 4.298 2.862 -2.620 0.00 0.00 +0.150 HD ATOM 15 O TYR A 11 3.988 -0.213 -2.050 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 CA LEU A 12 2.781 1.844 -3.620 0.00 0.00 +0.159 C BRANCH 16 17 ATOM 17 C LEU A 12 2.663 0.620 -4.578 0.00 0.00 +0.237 C ATOM 18 N PRO A 13 3.279 0.720 -5.834 0.00 0.00 -0.288 N ATOM 19 CA PRO A 13 2.950 -0.286 -6.853 0.00 0.00 +0.162 C ATOM 20 CB PRO A 13 4.149 -1.220 -6.843 0.00 0.00 +0.033 C ATOM 21 CG PRO A 13 5.295 -0.217 -6.728 0.00 0.00 +0.021 C ATOM 22 CD PRO A 13 4.733 0.888 -5.824 0.00 0.00 +0.109 C ATOM 23 O LEU A 12 2.053 -0.399 -4.251 0.00 0.00 -0.274 OA BRANCH 19 24 ATOM 24 C PRO A 13 1.514 -0.878 -6.889 0.00 0.00 +0.234 C ATOM 25 N SER A 14 1.398 -2.252 -6.915 0.00 0.00 -0.301 N ATOM 26 H SER A 14 2.229 -2.809 -7.083 0.00 0.00 +0.150 HD ATOM 27 O PRO A 13 0.512 -0.160 -6.947 0.00 0.00 -0.274 OA BRANCH 25 28 ATOM 28 CA SER A 14 0.102 -2.898 -7.143 0.00 0.00 +0.184 C BRANCH 28 29 ATOM 29 C SER A 14 0.187 -4.341 -6.629 0.00 0.00 +0.236 C ATOM 30 N ARG A 15 0.083 -4.475 -5.252 0.00 0.00 -0.302 N ATOM 31 H ARG A 15 -0.215 -3.679 -4.700 0.00 0.00 +0.150 HD ATOM 32 O SER A 14 0.444 -5.288 -7.365 0.00 0.00 -0.274 OA BRANCH 30 33 ATOM 33 CA ARG A 15 0.004 -5.799 -4.629 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 C ARG A 15 -1.315 -5.918 -3.819 0.00 0.00 +0.234 C ATOM 35 N HIS A 16 -1.246 -6.115 -2.450 0.00 0.00 -0.302 N ATOM 36 H HIS A 16 -0.350 -6.080 -1.961 0.00 0.00 +0.150 HD ATOM 37 O ARG A 15 -2.410 -5.841 -4.380 0.00 0.00 -0.274 OA BRANCH 35 38 ATOM 38 CA HIS A 16 -2.294 -6.945 -1.847 0.00 0.00 +0.165 C BRANCH 38 39 ATOM 39 C HIS A 16 -2.457 -6.786 -0.321 0.00 0.00 +0.234 C ATOM 40 N TYR A 17 -2.360 -5.482 0.142 0.00 0.00 -0.302 N ATOM 41 H TYR A 17 -1.909 -4.830 -0.492 0.00 0.00 +0.150 HD ATOM 42 O HIS A 16 -2.862 -7.699 0.394 0.00 0.00 -0.274 OA BRANCH 40 43 ATOM 43 CA TYR A 17 -3.447 -4.920 0.953 0.00 0.00 +0.163 C BRANCH 43 44 ATOM 44 C TYR A 17 -3.275 -3.381 1.085 0.00 0.00 +0.234 C ATOM 45 N TYR A 18 -4.325 -2.742 1.698 0.00 0.00 -0.301 N ATOM 46 H TYR A 18 -4.820 -3.282 2.396 0.00 0.00 +0.150 HD ATOM 47 O TYR A 17 -2.323 -2.777 0.594 0.00 0.00 -0.274 OA BRANCH 45 48 ATOM 48 CA TYR A 18 -4.336 -1.291 2.011 0.00 0.00 +0.186 C BRANCH 48 49 ATOM 49 C TYR A 18 -3.608 -1.102 3.343 0.00 0.00 +0.326 C ATOM 50 O TYR A 18 -2.926 -0.143 3.667 0.00 0.00 -0.249 OA BRANCH 49 51 ATOM 51 OXT TYR A 18 -3.842 -2.120 4.203 0.00 0.00 -0.479 OA ATOM 52 HXT TYR A 18 -3.277 -1.968 4.996 0.00 0.00 +0.295 HD ENDBRANCH 49 51 ENDBRANCH 48 49 BRANCH 48 53 ATOM 53 CB TYR A 18 -5.818 -0.871 2.107 0.00 0.00 +0.069 C BRANCH 53 54 ATOM 54 CG TYR A 18 -6.247 0.469 2.651 0.00 0.00 -0.045 A ATOM 55 CD2 TYR A 18 -7.542 0.553 3.207 0.00 0.00 +0.007 A ATOM 56 CE2 TYR A 18 -8.046 1.755 3.694 0.00 0.00 +0.045 A ATOM 57 CZ TYR A 18 -7.265 2.896 3.628 0.00 0.00 +0.117 A ATOM 58 CE1 TYR A 18 -5.998 2.845 3.062 0.00 0.00 +0.045 A ATOM 59 CD1 TYR A 18 -5.480 1.635 2.574 0.00 0.00 +0.007 A BRANCH 57 60 ATOM 60 OH TYR A 18 -7.786 4.059 4.113 0.00 0.00 -0.507 OA ATOM 61 HH TYR A 18 -7.069 4.711 4.238 0.00 0.00 +0.292 HD ENDBRANCH 57 60 ENDBRANCH 53 54 ENDBRANCH 48 53 ENDBRANCH 45 48 ENDBRANCH 43 44 BRANCH 43 62 ATOM 62 CB TYR A 17 -3.780 -5.626 2.286 0.00 0.00 +0.067 C BRANCH 62 63 ATOM 63 CG TYR A 17 -2.949 -5.357 3.519 0.00 0.00 -0.045 A ATOM 64 CD2 TYR A 17 -3.562 -5.526 4.779 0.00 0.00 +0.007 A ATOM 65 CE2 TYR A 17 -2.851 -5.349 5.965 0.00 0.00 +0.045 A ATOM 66 CZ TYR A 17 -1.507 -5.012 5.897 0.00 0.00 +0.117 A ATOM 67 CE1 TYR A 17 -0.876 -4.855 4.668 0.00 0.00 +0.045 A ATOM 68 CD1 TYR A 17 -1.591 -5.032 3.479 0.00 0.00 +0.007 A BRANCH 66 69 ATOM 69 OH TYR A 17 -0.761 -4.848 7.024 0.00 0.00 -0.507 OA ATOM 70 HH TYR A 17 -1.279 -5.170 7.782 0.00 0.00 +0.292 HD ENDBRANCH 66 69 ENDBRANCH 62 63 ENDBRANCH 43 62 ENDBRANCH 40 43 ENDBRANCH 38 39 BRANCH 38 71 ATOM 71 CB HIS A 16 -2.114 -8.427 -2.251 0.00 0.00 +0.086 C BRANCH 71 72 ATOM 72 CG HIS A 16 -3.370 -9.227 -2.291 0.00 0.00 +0.038 A ATOM 73 ND1 HIS A 16 -4.538 -8.830 -2.901 0.00 0.00 -0.348 N ATOM 74 HD1 HIS A 16 -4.688 -7.964 -3.403 0.00 0.00 +0.166 HD ATOM 75 CE1 HIS A 16 -5.484 -9.778 -2.652 0.00 0.00 +0.196 A ATOM 76 NE2 HIS A 16 -4.962 -10.823 -2.046 0.00 0.00 -0.244 NA ATOM 77 CD2 HIS A 16 -3.656 -10.491 -1.813 0.00 0.00 +0.133 A ENDBRANCH 71 72 ENDBRANCH 38 71 ENDBRANCH 35 38 ENDBRANCH 33 34 BRANCH 33 78 ATOM 78 CB ARG A 15 1.257 -6.198 -3.848 0.00 0.00 +0.033 C BRANCH 78 79 ATOM 79 CG ARG A 15 2.493 -6.502 -4.707 0.00 0.00 +0.023 C BRANCH 79 80 ATOM 80 CD ARG A 15 3.324 -5.286 -5.101 0.00 0.00 +0.115 C BRANCH 80 81 ATOM 81 NE ARG A 15 3.863 -4.628 -3.930 0.00 0.00 -0.356 N ATOM 82 HE ARG A 15 4.824 -4.917 -3.726 0.00 0.00 +0.162 HD BRANCH 81 83 ATOM 83 CZ ARG A 15 3.634 -3.359 -3.554 0.00 0.00 +0.188 C ATOM 84 NH1 ARG A 15 4.587 -2.642 -3.068 0.00 0.00 -0.269 NA ATOM 85 HH1 ARG A 15 4.181 -1.727 -2.802 0.00 0.00 +0.190 HD BRANCH 83 86 ATOM 86 NH2 ARG A 15 2.368 -2.921 -3.591 0.00 0.00 -0.370 N ATOM 87 HH21 ARG A 15 2.269 -1.894 -3.597 0.00 0.00 +0.159 HD ATOM 88 HH22 ARG A 15 1.809 -3.311 -4.334 0.00 0.00 +0.159 HD ENDBRANCH 83 86 ENDBRANCH 81 83 ENDBRANCH 80 81 ENDBRANCH 79 80 ENDBRANCH 78 79 ENDBRANCH 33 78 ENDBRANCH 30 33 ENDBRANCH 28 29 BRANCH 28 89 ATOM 89 CB SER A 14 -0.286 -2.865 -8.632 0.00 0.00 +0.187 C BRANCH 89 90 ATOM 90 OG SER A 14 -0.549 -1.544 -9.108 0.00 0.00 -0.393 OA ATOM 91 H SER A 14 -0.434 -0.911 -8.368 0.00 0.00 +0.209 HD ENDBRANCH 89 90 ENDBRANCH 28 89 ENDBRANCH 25 28 ENDBRANCH 19 24 ENDBRANCH 16 17 BRANCH 16 92 ATOM 92 CB LEU A 12 2.498 3.154 -4.401 0.00 0.00 +0.034 C BRANCH 92 93 ATOM 93 CG LEU A 12 2.531 4.473 -3.595 0.00 0.00 -0.015 C ATOM 94 CD2 LEU A 12 2.269 5.651 -4.533 0.00 0.00 +0.007 C ATOM 95 CD1 LEU A 12 1.547 4.500 -2.431 0.00 0.00 +0.007 C ENDBRANCH 92 93 ENDBRANCH 16 92 ENDBRANCH 13 16 ENDBRANCH 11 12 BRANCH 11 96 ATOM 96 CB TYR A 11 4.991 2.851 -0.282 0.00 0.00 +0.067 C BRANCH 96 97 ATOM 97 CG TYR A 11 5.583 3.174 1.071 0.00 0.00 -0.045 A ATOM 98 CD2 TYR A 11 4.771 3.198 2.212 0.00 0.00 +0.007 A ATOM 99 CE2 TYR A 11 5.317 3.487 3.465 0.00 0.00 +0.045 A ATOM 100 CZ TYR A 11 6.676 3.758 3.575 0.00 0.00 +0.117 A ATOM 101 CE1 TYR A 11 7.494 3.765 2.451 0.00 0.00 +0.045 A ATOM 102 CD1 TYR A 11 6.951 3.466 1.202 0.00 0.00 +0.007 A BRANCH 100 103 ATOM 103 OH TYR A 11 7.253 4.040 4.779 0.00 0.00 -0.507 OA ATOM 104 HH TYR A 11 6.577 3.967 5.475 0.00 0.00 +0.292 HD ENDBRANCH 100 103 ENDBRANCH 96 97 ENDBRANCH 11 96 ENDBRANCH 8 11 ENDBRANCH 5 7 ENDBRANCH 2 5 BRANCH 1 105 ATOM 105 CA HIS A 9 7.182 -4.068 -0.621 0.00 0.00 +0.165 C BRANCH 105 107 ATOM 106 C HIS A 8 5.007 -5.235 -0.849 0.00 0.00 +0.234 C ATOM 107 N HIS A 9 5.761 -4.213 -0.278 0.00 0.00 -0.302 N ATOM 108 H HIS A 9 5.483 -3.929 0.646 0.00 0.00 +0.150 HD ATOM 109 O HIS A 8 5.438 -5.965 -1.740 0.00 0.00 -0.274 OA BRANCH 106 110 ATOM 110 CA HIS A 8 3.583 -5.365 -0.241 0.00 0.00 +0.165 C BRANCH 110 112 ATOM 111 C LEU A 7 1.558 -3.787 -0.367 0.00 0.00 +0.234 C ATOM 112 N HIS A 8 2.898 -4.083 -0.489 0.00 0.00 -0.302 N ATOM 113 H HIS A 8 3.476 -3.364 -0.929 0.00 0.00 +0.150 HD ATOM 114 O LEU A 7 0.660 -4.631 -0.339 0.00 0.00 -0.274 OA BRANCH 111 115 ATOM 115 CA LEU A 7 1.279 -2.272 -0.149 0.00 0.00 +0.159 C BRANCH 115 117 ATOM 116 C ILE A 6 -0.240 -0.527 -1.041 0.00 0.00 +0.234 C ATOM 117 N LEU A 7 0.020 -1.866 -0.784 0.00 0.00 -0.302 N ATOM 118 H LEU A 7 -0.785 -2.442 -0.551 0.00 0.00 +0.150 HD ATOM 119 O ILE A 6 0.583 0.355 -0.787 0.00 0.00 -0.274 OA BRANCH 116 120 ATOM 120 CA ILE A 6 -1.687 -0.230 -1.546 0.00 0.00 +0.162 C BRANCH 120 121 ATOM 121 N ILE A 6 -2.031 1.206 -1.582 0.00 0.00 -0.302 N ATOM 122 H ILE A 6 -1.671 1.647 -0.724 0.00 0.00 +0.150 HD ATOM 123 C PRO A 5 -1.645 2.011 -2.635 0.00 0.00 +0.234 C ATOM 124 O PRO A 5 -0.493 2.067 -3.042 0.00 0.00 -0.274 OA BRANCH 123 125 ATOM 125 CA PRO A 5 -2.790 2.904 -3.164 0.00 0.00 +0.162 C ATOM 126 N PRO A 5 -2.726 4.299 -2.702 0.00 0.00 -0.288 N ATOM 127 C LEU A 4 -3.212 4.853 -1.541 0.00 0.00 +0.237 C ATOM 128 O LEU A 4 -3.098 6.065 -1.317 0.00 0.00 -0.274 OA ATOM 129 CD PRO A 5 -2.307 5.180 -3.787 0.00 0.00 +0.109 C ATOM 130 CG PRO A 5 -1.834 4.264 -4.899 0.00 0.00 +0.021 C ATOM 131 CB PRO A 5 -2.683 3.014 -4.692 0.00 0.00 +0.033 C BRANCH 127 132 ATOM 132 CA LEU A 4 -3.924 3.965 -0.497 0.00 0.00 +0.159 C BRANCH 132 133 ATOM 133 N LEU A 4 -3.287 4.276 0.800 0.00 0.00 -0.302 N ATOM 134 H LEU A 4 -3.413 5.222 1.143 0.00 0.00 +0.150 HD ATOM 135 C ASN A 3 -2.181 3.596 1.273 0.00 0.00 +0.234 C ATOM 136 O ASN A 3 -1.671 2.675 0.633 0.00 0.00 -0.274 OA BRANCH 135 137 ATOM 137 CA ASN A 3 -1.602 4.110 2.620 0.00 0.00 +0.168 C BRANCH 137 138 ATOM 138 N ASN A 3 -2.703 4.675 3.411 0.00 0.00 -0.302 N ATOM 139 H ASN A 3 -3.552 4.122 3.430 0.00 0.00 +0.150 HD ATOM 140 C TYR A 2 -2.879 5.892 3.986 0.00 0.00 +0.234 C ATOM 141 O TYR A 2 -4.045 6.163 4.294 0.00 0.00 -0.274 OA BRANCH 140 142 ATOM 142 CA TYR A 2 -1.683 6.854 4.206 0.00 0.00 +0.163 C BRANCH 142 143 ATOM 143 N TYR A 2 -2.194 8.172 4.607 0.00 0.00 -0.302 N ATOM 144 H TYR A 2 -2.357 8.845 3.873 0.00 0.00 +0.150 HD ATOM 145 C TYR A 1 -2.762 8.421 5.848 0.00 0.00 +0.231 C ATOM 146 O TYR A 1 -2.797 7.587 6.749 0.00 0.00 -0.274 OA BRANCH 145 147 ATOM 147 CA TYR A 1 -3.377 9.832 6.018 0.00 0.00 +0.142 C BRANCH 147 148 ATOM 148 N TYR A 1 -2.339 10.846 5.684 0.00 0.00 -0.320 NA ATOM 149 H1 TYR A 1 -2.145 10.843 4.688 0.00 0.00 +0.119 HD ATOM 150 H2 TYR A 1 -2.710 11.771 5.910 0.00 0.00 +0.119 HD ENDBRANCH 147 148 BRANCH 147 151 ATOM 151 CB TYR A 1 -4.637 10.016 5.144 0.00 0.00 +0.063 C BRANCH 151 152 ATOM 152 CG TYR A 1 -5.961 9.722 5.823 0.00 0.00 -0.045 A ATOM 153 CD2 TYR A 1 -6.175 8.549 6.559 0.00 0.00 +0.007 A ATOM 154 CE2 TYR A 1 -7.421 8.293 7.144 0.00 0.00 +0.045 A ATOM 155 CZ TYR A 1 -8.456 9.205 6.995 0.00 0.00 +0.117 A ATOM 156 CE1 TYR A 1 -8.268 10.375 6.267 0.00 0.00 +0.045 A ATOM 157 CD1 TYR A 1 -7.029 10.625 5.673 0.00 0.00 +0.007 A BRANCH 155 158 ATOM 158 OH TYR A 1 -9.651 8.924 7.587 0.00 0.00 -0.507 OA ATOM 159 HH TYR A 1 -10.317 9.514 7.197 0.00 0.00 +0.292 HD ENDBRANCH 155 158 ENDBRANCH 151 152 ENDBRANCH 147 151 ENDBRANCH 145 147 ENDBRANCH 142 143 BRANCH 142 160 ATOM 160 CB TYR A 2 -0.622 6.265 5.153 0.00 0.00 +0.067 C BRANCH 160 161 ATOM 161 CG TYR A 2 0.704 6.995 5.109 0.00 0.00 -0.045 A ATOM 162 CD2 TYR A 2 0.924 8.125 5.906 0.00 0.00 +0.007 A ATOM 163 CE2 TYR A 2 2.155 8.780 5.884 0.00 0.00 +0.045 A ATOM 164 CZ TYR A 2 3.168 8.317 5.056 0.00 0.00 +0.117 A ATOM 165 CE1 TYR A 2 2.967 7.210 4.237 0.00 0.00 +0.045 A ATOM 166 CD1 TYR A 2 1.741 6.543 4.277 0.00 0.00 +0.007 A BRANCH 164 167 ATOM 167 OH TYR A 2 4.351 8.995 5.054 0.00 0.00 -0.507 OA ATOM 168 HH TYR A 2 4.938 8.597 4.395 0.00 0.00 +0.292 HD ENDBRANCH 164 167 ENDBRANCH 160 161 ENDBRANCH 142 160 ENDBRANCH 140 142 ENDBRANCH 137 138 BRANCH 137 169 ATOM 169 CB ASN A 3 -1.021 2.911 3.362 0.00 0.00 +0.127 C BRANCH 169 170 ATOM 170 CG ASN A 3 0.396 2.625 2.938 0.00 0.00 +0.213 C ATOM 171 OD1 ASN A 3 1.177 3.472 2.519 0.00 0.00 -0.276 OA ATOM 172 ND2 ASN A 3 0.787 1.336 3.127 0.00 0.00 -0.329 N ATOM 173 HD21 ASN A 3 1.731 1.106 2.829 0.00 0.00 +0.145 HD ATOM 174 HD22 ASN A 3 0.107 0.586 3.147 0.00 0.00 +0.145 HD ENDBRANCH 169 170 ENDBRANCH 137 169 ENDBRANCH 135 137 ENDBRANCH 132 133 BRANCH 132 175 ATOM 175 CB LEU A 4 -5.418 4.338 -0.379 0.00 0.00 +0.034 C BRANCH 175 176 ATOM 176 CG LEU A 4 -6.433 3.694 -1.345 0.00 0.00 -0.015 C ATOM 177 CD2 LEU A 4 -6.359 4.253 -2.762 0.00 0.00 +0.007 C ATOM 178 CD1 LEU A 4 -6.396 2.168 -1.341 0.00 0.00 +0.007 C ENDBRANCH 175 176 ENDBRANCH 132 175 ENDBRANCH 127 132 ENDBRANCH 123 125 ENDBRANCH 120 121 BRANCH 120 179 ATOM 179 CB ILE A 6 -2.166 -0.956 -2.843 0.00 0.00 +0.015 C ATOM 180 CG2 ILE A 6 -1.078 -1.068 -3.905 0.00 0.00 +0.010 C BRANCH 179 182 ATOM 181 CD1 ILE A 6 -3.589 -2.898 -3.715 0.00 0.00 +0.004 C ATOM 182 CG1 ILE A 6 -2.796 -2.330 -2.543 0.00 0.00 +0.002 C ENDBRANCH 179 182 ENDBRANCH 120 179 ENDBRANCH 116 120 ENDBRANCH 115 117 BRANCH 115 183 ATOM 183 CB LEU A 7 1.191 -2.003 1.375 0.00 0.00 +0.034 C BRANCH 183 184 ATOM 184 CG LEU A 7 2.419 -2.376 2.222 0.00 0.00 -0.015 C ATOM 185 CD2 LEU A 7 3.660 -1.581 1.828 0.00 0.00 +0.007 C ATOM 186 CD1 LEU A 7 2.121 -2.153 3.709 0.00 0.00 +0.007 C ENDBRANCH 183 184 ENDBRANCH 115 183 ENDBRANCH 111 115 ENDBRANCH 110 112 BRANCH 110 187 ATOM 187 CB HIS A 8 2.861 -6.630 -0.722 0.00 0.00 +0.086 C BRANCH 187 188 ATOM 188 CG HIS A 8 3.419 -7.896 -0.152 0.00 0.00 +0.038 A ATOM 189 ND1 HIS A 8 3.339 -8.251 1.174 0.00 0.00 -0.348 N ATOM 190 HD1 HIS A 8 2.921 -7.712 1.923 0.00 0.00 +0.166 HD ATOM 191 CE1 HIS A 8 3.933 -9.469 1.314 0.00 0.00 +0.196 A ATOM 192 NE2 HIS A 8 4.358 -9.935 0.163 0.00 0.00 -0.244 NA ATOM 193 CD2 HIS A 8 4.054 -8.964 -0.754 0.00 0.00 +0.133 A ENDBRANCH 187 188 ENDBRANCH 110 187 ENDBRANCH 106 110 ENDBRANCH 105 107 BRANCH 105 194 ATOM 194 CB HIS A 9 7.443 -3.525 -2.038 0.00 0.00 +0.086 C BRANCH 194 195 ATOM 195 CG HIS A 9 8.892 -3.518 -2.414 0.00 0.00 +0.038 A ATOM 196 ND1 HIS A 9 9.637 -2.362 -2.455 0.00 0.00 -0.348 N ATOM 197 HD1 HIS A 9 9.304 -1.427 -2.244 0.00 0.00 +0.166 HD ATOM 198 CE1 HIS A 9 10.910 -2.708 -2.813 0.00 0.00 +0.196 A ATOM 199 NE2 HIS A 9 11.024 -4.000 -3.009 0.00 0.00 -0.244 NA ATOM 200 CD2 HIS A 9 9.773 -4.514 -2.769 0.00 0.00 +0.133 A ENDBRANCH 194 195 ENDBRANCH 105 194 ENDBRANCH 1 105 TORSDOF 74