REMARK Name = BDB058221 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ALA A 10 1.593 -4.537 1.151 0.00 0.00 +0.156 C ATOM 2 CB ALA A 10 0.615 -3.579 0.483 0.00 0.00 +0.038 C ENDROOT BRANCH 1 3 ATOM 3 C ALA A 10 2.720 -3.819 1.933 0.00 0.00 +0.234 C ATOM 4 N TYR A 11 3.486 -2.974 1.169 0.00 0.00 -0.302 N ATOM 5 H TYR A 11 3.163 -2.732 0.224 0.00 0.00 +0.150 HD ATOM 6 O ALA A 10 2.955 -4.058 3.118 0.00 0.00 -0.274 OA BRANCH 4 7 ATOM 7 CA TYR A 11 4.610 -2.189 1.673 0.00 0.00 +0.163 C BRANCH 7 8 ATOM 8 C TYR A 11 5.051 -1.253 0.530 0.00 0.00 +0.234 C ATOM 9 N LEU A 12 5.028 0.102 0.654 0.00 0.00 -0.302 N ATOM 10 H LEU A 12 5.233 0.536 -0.234 0.00 0.00 +0.150 HD ATOM 11 O TYR A 11 5.375 -1.683 -0.582 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 CA LEU A 12 4.524 0.946 1.739 0.00 0.00 +0.159 C BRANCH 12 13 ATOM 13 C LEU A 12 3.924 2.292 1.229 0.00 0.00 +0.237 C ATOM 14 N PRO A 13 4.604 3.127 0.360 0.00 0.00 -0.288 N ATOM 15 CA PRO A 13 4.249 4.555 0.383 0.00 0.00 +0.162 C ATOM 16 CB PRO A 13 5.529 5.274 -0.060 0.00 0.00 +0.033 C ATOM 17 CG PRO A 13 6.217 4.257 -0.954 0.00 0.00 +0.021 C ATOM 18 CD PRO A 13 5.915 2.941 -0.256 0.00 0.00 +0.109 C ATOM 19 O LEU A 12 2.858 2.688 1.716 0.00 0.00 -0.274 OA BRANCH 15 20 ATOM 20 C PRO A 13 3.071 5.032 -0.492 0.00 0.00 +0.234 C ATOM 21 N SER A 14 2.714 4.270 -1.592 0.00 0.00 -0.301 N ATOM 22 H SER A 14 3.283 3.454 -1.816 0.00 0.00 +0.150 HD ATOM 23 O PRO A 13 2.594 6.164 -0.339 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 CA SER A 14 2.022 4.939 -2.702 0.00 0.00 +0.184 C BRANCH 24 25 ATOM 25 C SER A 14 1.249 4.008 -3.666 0.00 0.00 +0.236 C ATOM 26 N ARG A 15 0.176 3.340 -3.101 0.00 0.00 -0.302 N ATOM 27 H ARG A 15 -0.029 3.501 -2.117 0.00 0.00 +0.150 HD ATOM 28 O SER A 14 1.499 3.939 -4.865 0.00 0.00 -0.274 OA BRANCH 26 29 ATOM 29 CA ARG A 15 -0.984 2.947 -3.923 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C ARG A 15 -2.275 3.702 -3.526 0.00 0.00 +0.234 C ATOM 31 N HIS A 16 -2.332 4.245 -2.265 0.00 0.00 -0.302 N ATOM 32 H HIS A 16 -3.284 4.178 -1.910 0.00 0.00 +0.150 HD ATOM 33 O ARG A 15 -3.291 3.705 -4.225 0.00 0.00 -0.274 OA BRANCH 31 34 ATOM 34 CA HIS A 16 -1.879 5.626 -2.037 0.00 0.00 +0.165 C BRANCH 34 35 ATOM 35 C HIS A 16 -2.210 6.011 -0.580 0.00 0.00 +0.234 C ATOM 36 N TYR A 17 -1.630 7.189 -0.141 0.00 0.00 -0.302 N ATOM 37 H TYR A 17 -0.799 7.478 -0.638 0.00 0.00 +0.150 HD ATOM 38 O HIS A 16 -2.895 5.294 0.144 0.00 0.00 -0.274 OA BRANCH 36 39 ATOM 39 CA TYR A 17 -1.649 7.568 1.282 0.00 0.00 +0.163 C BRANCH 39 40 ATOM 40 C TYR A 17 -0.668 6.676 2.079 0.00 0.00 +0.234 C ATOM 41 N TYR A 18 -0.440 7.105 3.364 0.00 0.00 -0.301 N ATOM 42 H TYR A 18 -0.823 7.986 3.694 0.00 0.00 +0.150 HD ATOM 43 O TYR A 17 -0.104 5.687 1.612 0.00 0.00 -0.274 OA BRANCH 41 44 ATOM 44 CA TYR A 18 0.443 6.416 4.307 0.00 0.00 +0.186 C BRANCH 44 45 ATOM 45 C TYR A 18 0.115 6.849 5.739 0.00 0.00 +0.326 C ATOM 46 O TYR A 18 0.633 6.427 6.760 0.00 0.00 -0.249 OA BRANCH 45 47 ATOM 47 OXT TYR A 18 -0.838 7.810 5.810 0.00 0.00 -0.479 OA ATOM 48 HXT TYR A 18 -0.973 7.950 6.772 0.00 0.00 +0.295 HD ENDBRANCH 45 47 ENDBRANCH 44 45 BRANCH 44 49 ATOM 49 CB TYR A 18 1.937 6.609 4.003 0.00 0.00 +0.069 C BRANCH 49 50 ATOM 50 CG TYR A 18 2.362 8.056 3.873 0.00 0.00 -0.045 A ATOM 51 CD2 TYR A 18 2.671 8.815 5.011 0.00 0.00 +0.007 A ATOM 52 CE2 TYR A 18 3.022 10.161 4.887 0.00 0.00 +0.045 A ATOM 53 CZ TYR A 18 3.078 10.746 3.630 0.00 0.00 +0.117 A ATOM 54 CE1 TYR A 18 2.787 10.008 2.486 0.00 0.00 +0.045 A ATOM 55 CD1 TYR A 18 2.437 8.660 2.609 0.00 0.00 +0.007 A BRANCH 53 56 ATOM 56 OH TYR A 18 3.422 12.063 3.559 0.00 0.00 -0.507 OA ATOM 57 HH TYR A 18 3.373 12.349 2.630 0.00 0.00 +0.292 HD ENDBRANCH 53 56 ENDBRANCH 49 50 ENDBRANCH 44 49 ENDBRANCH 41 44 ENDBRANCH 39 40 BRANCH 39 58 ATOM 58 CB TYR A 17 -3.046 7.625 1.939 0.00 0.00 +0.067 C BRANCH 58 59 ATOM 59 CG TYR A 17 -3.603 9.033 1.969 0.00 0.00 -0.045 A ATOM 60 CD2 TYR A 17 -4.463 9.475 0.954 0.00 0.00 +0.007 A ATOM 61 CE2 TYR A 17 -4.959 10.780 0.959 0.00 0.00 +0.045 A ATOM 62 CZ TYR A 17 -4.599 11.639 1.988 0.00 0.00 +0.117 A ATOM 63 CE1 TYR A 17 -3.752 11.220 3.007 0.00 0.00 +0.045 A ATOM 64 CD1 TYR A 17 -3.256 9.914 3.000 0.00 0.00 +0.007 A BRANCH 62 65 ATOM 65 OH TYR A 17 -5.065 12.919 2.039 0.00 0.00 -0.507 OA ATOM 66 HH TYR A 17 -5.687 13.048 1.304 0.00 0.00 +0.292 HD ENDBRANCH 62 65 ENDBRANCH 58 59 ENDBRANCH 39 58 ENDBRANCH 36 39 ENDBRANCH 34 35 BRANCH 34 67 ATOM 67 CB HIS A 16 -2.373 6.664 -3.061 0.00 0.00 +0.086 C BRANCH 67 68 ATOM 68 CG HIS A 16 -3.847 6.885 -3.081 0.00 0.00 +0.038 A ATOM 69 ND1 HIS A 16 -4.747 5.996 -3.617 0.00 0.00 -0.348 N ATOM 70 HD1 HIS A 16 -4.529 5.097 -4.043 0.00 0.00 +0.166 HD ATOM 71 CE1 HIS A 16 -5.991 6.542 -3.482 0.00 0.00 +0.196 A ATOM 72 NE2 HIS A 16 -5.943 7.723 -2.908 0.00 0.00 -0.244 NA ATOM 73 CD2 HIS A 16 -4.615 7.956 -2.681 0.00 0.00 +0.133 A ENDBRANCH 67 68 ENDBRANCH 34 67 ENDBRANCH 31 34 ENDBRANCH 29 30 BRANCH 29 74 ATOM 74 CB ARG A 15 -1.279 1.448 -3.794 0.00 0.00 +0.033 C BRANCH 74 75 ATOM 75 CG ARG A 15 -0.418 0.545 -4.678 0.00 0.00 +0.023 C BRANCH 75 76 ATOM 76 CD ARG A 15 -0.682 0.726 -6.175 0.00 0.00 +0.115 C BRANCH 76 77 ATOM 77 NE ARG A 15 -0.228 -0.467 -6.878 0.00 0.00 -0.356 N ATOM 78 HE ARG A 15 -0.916 -1.212 -6.835 0.00 0.00 +0.162 HD BRANCH 77 79 ATOM 79 CZ ARG A 15 0.408 -0.403 -8.067 0.00 0.00 +0.188 C ATOM 80 NH1 ARG A 15 0.906 0.651 -8.594 0.00 0.00 -0.269 NA ATOM 81 HH1 ARG A 15 1.310 0.424 -9.505 0.00 0.00 +0.190 HD BRANCH 79 82 ATOM 82 NH2 ARG A 15 0.500 -1.626 -8.630 0.00 0.00 -0.370 N ATOM 83 HH21 ARG A 15 0.584 -2.381 -7.957 0.00 0.00 +0.159 HD ATOM 84 HH22 ARG A 15 1.180 -1.718 -9.372 0.00 0.00 +0.159 HD ENDBRANCH 79 82 ENDBRANCH 77 79 ENDBRANCH 76 77 ENDBRANCH 75 76 ENDBRANCH 74 75 ENDBRANCH 29 74 ENDBRANCH 26 29 ENDBRANCH 24 25 BRANCH 24 85 ATOM 85 CB SER A 14 2.973 5.885 -3.473 0.00 0.00 +0.187 C BRANCH 85 86 ATOM 86 OG SER A 14 3.083 7.163 -2.838 0.00 0.00 -0.393 OA ATOM 87 H SER A 14 2.966 7.047 -1.871 0.00 0.00 +0.209 HD ENDBRANCH 85 86 ENDBRANCH 24 85 ENDBRANCH 21 24 ENDBRANCH 15 20 ENDBRANCH 12 13 BRANCH 12 88 ATOM 88 CB LEU A 12 5.624 1.191 2.791 0.00 0.00 +0.034 C BRANCH 88 89 ATOM 89 CG LEU A 12 5.180 1.298 4.268 0.00 0.00 -0.015 C ATOM 90 CD2 LEU A 12 4.728 -0.044 4.843 0.00 0.00 +0.007 C ATOM 91 CD1 LEU A 12 4.121 2.365 4.527 0.00 0.00 +0.007 C ENDBRANCH 88 89 ENDBRANCH 12 88 ENDBRANCH 9 12 ENDBRANCH 7 8 BRANCH 7 92 ATOM 92 CB TYR A 11 5.801 -3.017 2.200 0.00 0.00 +0.067 C BRANCH 92 93 ATOM 93 CG TYR A 11 6.251 -4.188 1.351 0.00 0.00 -0.045 A ATOM 94 CD2 TYR A 11 5.780 -5.482 1.623 0.00 0.00 +0.007 A ATOM 95 CE2 TYR A 11 6.164 -6.565 0.826 0.00 0.00 +0.045 A ATOM 96 CZ TYR A 11 7.025 -6.354 -0.246 0.00 0.00 +0.117 A ATOM 97 CE1 TYR A 11 7.518 -5.084 -0.519 0.00 0.00 +0.045 A ATOM 98 CD1 TYR A 11 7.134 -4.005 0.279 0.00 0.00 +0.007 A BRANCH 96 99 ATOM 99 OH TYR A 11 7.420 -7.377 -1.058 0.00 0.00 -0.507 OA ATOM 100 HH TYR A 11 7.067 -8.208 -0.700 0.00 0.00 +0.292 HD ENDBRANCH 96 99 ENDBRANCH 92 93 ENDBRANCH 7 92 ENDBRANCH 4 7 ENDBRANCH 1 3 BRANCH 1 102 ATOM 101 C HIS A 9 -0.116 -5.261 2.841 0.00 0.00 +0.234 C ATOM 102 N ALA A 10 0.941 -5.549 1.989 0.00 0.00 -0.303 N ATOM 103 H ALA A 10 1.594 -6.199 2.417 0.00 0.00 +0.149 HD ATOM 104 O HIS A 9 -0.695 -4.178 2.843 0.00 0.00 -0.274 OA BRANCH 101 105 ATOM 105 CA HIS A 9 -0.625 -6.486 3.652 0.00 0.00 +0.165 C BRANCH 105 107 ATOM 106 C HIS A 8 0.760 -8.575 3.011 0.00 0.00 +0.234 C ATOM 107 N HIS A 9 0.439 -7.500 3.776 0.00 0.00 -0.302 N ATOM 108 H HIS A 9 1.025 -7.441 4.606 0.00 0.00 +0.150 HD ATOM 109 O HIS A 8 1.629 -9.318 3.487 0.00 0.00 -0.274 OA BRANCH 106 110 ATOM 110 CA HIS A 8 0.027 -8.947 1.692 0.00 0.00 +0.165 C BRANCH 110 112 ATOM 111 C LEU A 7 -1.644 -8.107 0.098 0.00 0.00 +0.234 C ATOM 112 N HIS A 8 -0.586 -7.832 0.953 0.00 0.00 -0.302 N ATOM 113 H HIS A 8 0.016 -7.042 0.752 0.00 0.00 +0.150 HD ATOM 114 O LEU A 7 -2.389 -9.062 0.301 0.00 0.00 -0.274 OA BRANCH 111 115 ATOM 115 CA LEU A 7 -1.901 -7.101 -1.055 0.00 0.00 +0.159 C BRANCH 115 117 ATOM 116 C ILE A 6 -4.030 -5.870 -1.258 0.00 0.00 +0.234 C ATOM 117 N LEU A 7 -2.835 -6.081 -0.601 0.00 0.00 -0.302 N ATOM 118 H LEU A 7 -2.625 -5.572 0.250 0.00 0.00 +0.150 HD ATOM 119 O ILE A 6 -4.377 -6.520 -2.242 0.00 0.00 -0.274 OA BRANCH 116 120 ATOM 120 CA ILE A 6 -4.863 -4.673 -0.744 0.00 0.00 +0.162 C BRANCH 120 121 ATOM 121 N ILE A 6 -5.256 -3.927 -1.945 0.00 0.00 -0.302 N ATOM 122 H ILE A 6 -5.134 -4.447 -2.816 0.00 0.00 +0.150 HD ATOM 123 C PRO A 5 -5.186 -2.575 -2.132 0.00 0.00 +0.234 C ATOM 124 O PRO A 5 -4.939 -2.148 -3.258 0.00 0.00 -0.274 OA BRANCH 123 125 ATOM 125 CA PRO A 5 -5.550 -1.657 -0.946 0.00 0.00 +0.162 C ATOM 126 N PRO A 5 -4.864 -0.370 -1.012 0.00 0.00 -0.288 N ATOM 127 C TYR A 4 -3.608 -0.040 -0.555 0.00 0.00 +0.237 C ATOM 128 O TYR A 4 -3.128 1.077 -0.785 0.00 0.00 -0.274 OA ATOM 129 CD PRO A 5 -5.721 0.652 -1.586 0.00 0.00 +0.109 C ATOM 130 CG PRO A 5 -7.017 -0.053 -1.952 0.00 0.00 +0.021 C ATOM 131 CB PRO A 5 -7.031 -1.281 -1.043 0.00 0.00 +0.033 C BRANCH 127 132 ATOM 132 CA TYR A 4 -2.824 -1.088 0.295 0.00 0.00 +0.163 C BRANCH 132 133 ATOM 133 N TYR A 4 -1.450 -0.624 0.473 0.00 0.00 -0.302 N ATOM 134 H TYR A 4 -1.176 -0.257 1.390 0.00 0.00 +0.150 HD ATOM 135 C ASN A 3 -0.550 -0.534 -0.562 0.00 0.00 +0.234 C ATOM 136 O ASN A 3 -0.745 -1.081 -1.646 0.00 0.00 -0.274 OA BRANCH 135 137 ATOM 137 CA ASN A 3 0.710 0.321 -0.250 0.00 0.00 +0.168 C BRANCH 137 138 ATOM 138 N ASN A 3 1.563 0.364 -1.453 0.00 0.00 -0.302 N ATOM 139 H ASN A 3 1.210 0.905 -2.235 0.00 0.00 +0.150 HD ATOM 140 C TYR A 2 2.339 -0.732 -1.768 0.00 0.00 +0.234 C ATOM 141 O TYR A 2 2.505 -1.654 -0.969 0.00 0.00 -0.274 OA BRANCH 140 142 ATOM 142 CA TYR A 2 3.084 -0.669 -3.111 0.00 0.00 +0.163 C BRANCH 142 143 ATOM 143 N TYR A 2 4.469 -0.322 -2.776 0.00 0.00 -0.302 N ATOM 144 H TYR A 2 4.917 -0.898 -2.059 0.00 0.00 +0.150 HD ATOM 145 C CYS A 1 5.326 0.519 -3.423 0.00 0.00 +0.231 C ATOM 146 O CYS A 1 6.474 0.630 -2.982 0.00 0.00 -0.274 OA BRANCH 145 147 ATOM 147 CA CYS A 1 4.803 1.382 -4.585 0.00 0.00 +0.147 C BRANCH 147 148 ATOM 148 N CYS A 1 4.189 2.617 -4.017 0.00 0.00 -0.319 NA ATOM 149 H1 CYS A 1 3.613 3.026 -4.765 0.00 0.00 +0.119 HD ATOM 150 H2 CYS A 1 4.967 3.281 -3.919 0.00 0.00 +0.119 HD ENDBRANCH 147 148 BRANCH 147 151 ATOM 151 CB CYS A 1 5.913 1.675 -5.617 0.00 0.00 +0.093 C BRANCH 151 152 ATOM 152 SG CYS A 1 7.133 2.925 -5.067 0.00 0.00 -0.176 S ATOM 153 HG CYS A 1 7.589 2.203 -4.022 0.00 0.00 +0.102 HD ENDBRANCH 151 152 ENDBRANCH 147 151 ENDBRANCH 145 147 ENDBRANCH 142 143 BRANCH 142 154 ATOM 154 CB TYR A 2 2.990 -2.050 -3.792 0.00 0.00 +0.067 C BRANCH 154 155 ATOM 155 CG TYR A 2 3.779 -2.165 -5.075 0.00 0.00 -0.045 A ATOM 156 CD2 TYR A 2 3.337 -1.526 -6.240 0.00 0.00 +0.007 A ATOM 157 CE2 TYR A 2 4.080 -1.603 -7.419 0.00 0.00 +0.045 A ATOM 158 CZ TYR A 2 5.260 -2.335 -7.440 0.00 0.00 +0.117 A ATOM 159 CE1 TYR A 2 5.717 -2.981 -6.299 0.00 0.00 +0.045 A ATOM 160 CD1 TYR A 2 4.978 -2.891 -5.118 0.00 0.00 +0.007 A BRANCH 158 161 ATOM 161 OH TYR A 2 5.953 -2.384 -8.614 0.00 0.00 -0.507 OA ATOM 162 HH TYR A 2 6.743 -2.934 -8.485 0.00 0.00 +0.292 HD ENDBRANCH 158 161 ENDBRANCH 154 155 ENDBRANCH 142 154 ENDBRANCH 140 142 ENDBRANCH 137 138 BRANCH 137 163 ATOM 163 CB ASN A 3 0.303 1.739 0.172 0.00 0.00 +0.127 C BRANCH 163 164 ATOM 164 CG ASN A 3 -0.035 1.790 1.645 0.00 0.00 +0.213 C ATOM 165 OD1 ASN A 3 -0.122 0.796 2.360 0.00 0.00 -0.276 OA ATOM 166 ND2 ASN A 3 -0.368 3.013 2.138 0.00 0.00 -0.329 N ATOM 167 HD21 ASN A 3 -0.547 3.075 3.129 0.00 0.00 +0.145 HD ATOM 168 HD22 ASN A 3 -0.115 3.884 1.672 0.00 0.00 +0.145 HD ENDBRANCH 163 164 ENDBRANCH 137 163 ENDBRANCH 135 137 ENDBRANCH 132 133 BRANCH 132 169 ATOM 169 CB TYR A 4 -3.453 -1.365 1.685 0.00 0.00 +0.067 C BRANCH 169 170 ATOM 170 CG TYR A 4 -4.294 -0.267 2.308 0.00 0.00 -0.045 A ATOM 171 CD2 TYR A 4 -5.569 -0.563 2.814 0.00 0.00 +0.007 A ATOM 172 CE2 TYR A 4 -6.366 0.444 3.363 0.00 0.00 +0.045 A ATOM 173 CZ TYR A 4 -5.896 1.750 3.405 0.00 0.00 +0.117 A ATOM 174 CE1 TYR A 4 -4.628 2.065 2.934 0.00 0.00 +0.045 A ATOM 175 CD1 TYR A 4 -3.828 1.054 2.400 0.00 0.00 +0.007 A BRANCH 173 176 ATOM 176 OH TYR A 4 -6.715 2.703 3.932 0.00 0.00 -0.507 OA ATOM 177 HH TYR A 4 -6.286 3.570 3.821 0.00 0.00 +0.292 HD ENDBRANCH 173 176 ENDBRANCH 169 170 ENDBRANCH 132 169 ENDBRANCH 127 132 ENDBRANCH 123 125 ENDBRANCH 120 121 BRANCH 120 178 ATOM 178 CB ILE A 6 -6.068 -5.085 0.131 0.00 0.00 +0.015 C ATOM 179 CG2 ILE A 6 -7.127 -5.877 -0.651 0.00 0.00 +0.010 C BRANCH 178 181 ATOM 180 CD1 ILE A 6 -6.678 -5.991 2.447 0.00 0.00 +0.004 C ATOM 181 CG1 ILE A 6 -5.599 -5.860 1.380 0.00 0.00 +0.002 C ENDBRANCH 178 181 ENDBRANCH 120 178 ENDBRANCH 116 120 ENDBRANCH 115 117 BRANCH 115 182 ATOM 182 CB LEU A 7 -0.604 -6.509 -1.639 0.00 0.00 +0.034 C BRANCH 182 183 ATOM 183 CG LEU A 7 -0.659 -5.822 -3.022 0.00 0.00 -0.015 C ATOM 184 CD2 LEU A 7 -1.479 -4.533 -3.043 0.00 0.00 +0.007 C ATOM 185 CD1 LEU A 7 -1.110 -6.774 -4.125 0.00 0.00 +0.007 C ENDBRANCH 182 183 ENDBRANCH 115 182 ENDBRANCH 111 115 ENDBRANCH 110 112 BRANCH 110 186 ATOM 186 CB HIS A 8 1.051 -9.635 0.741 0.00 0.00 +0.086 C BRANCH 186 187 ATOM 187 CG HIS A 8 1.214 -11.108 0.908 0.00 0.00 +0.038 A ATOM 188 ND1 HIS A 8 1.475 -11.730 2.103 0.00 0.00 -0.348 N ATOM 189 HD1 HIS A 8 1.616 -11.268 2.998 0.00 0.00 +0.166 HD ATOM 190 CE1 HIS A 8 1.636 -13.065 1.847 0.00 0.00 +0.196 A ATOM 191 NE2 HIS A 8 1.472 -13.335 0.575 0.00 0.00 -0.244 NA ATOM 192 CD2 HIS A 8 1.191 -12.133 -0.019 0.00 0.00 +0.133 A ENDBRANCH 186 187 ENDBRANCH 110 186 ENDBRANCH 106 110 ENDBRANCH 105 107 BRANCH 105 193 ATOM 193 CB HIS A 9 -1.092 -6.035 5.048 0.00 0.00 +0.086 C BRANCH 193 194 ATOM 194 CG HIS A 9 -2.428 -5.372 5.052 0.00 0.00 +0.038 A ATOM 195 ND1 HIS A 9 -2.591 -4.015 4.890 0.00 0.00 -0.348 N ATOM 196 HD1 HIS A 9 -1.861 -3.341 4.691 0.00 0.00 +0.166 HD ATOM 197 CE1 HIS A 9 -3.929 -3.749 4.953 0.00 0.00 +0.196 A ATOM 198 NE2 HIS A 9 -4.628 -4.844 5.138 0.00 0.00 -0.244 NA ATOM 199 CD2 HIS A 9 -3.706 -5.858 5.214 0.00 0.00 +0.133 A ENDBRANCH 193 194 ENDBRANCH 105 193 ENDBRANCH 101 105 ENDBRANCH 1 102 TORSDOF 74