REMARK Name = BDB062486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N VAL A 15 3.841 3.874 0.040 0.00 0.00 -0.302 N ATOM 2 H VAL A 15 4.372 4.279 0.801 0.00 0.00 +0.150 HD ATOM 3 C LEU A 14 2.471 3.988 0.032 0.00 0.00 +0.234 C ATOM 4 O LEU A 14 1.785 3.414 -0.815 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 CA LEU A 14 1.849 4.770 1.218 0.00 0.00 +0.159 C BRANCH 5 6 ATOM 6 N LEU A 14 1.749 3.897 2.390 0.00 0.00 -0.303 N ATOM 7 H LEU A 14 2.491 3.223 2.569 0.00 0.00 +0.149 HD ATOM 8 C GLY A 13 0.552 3.758 3.067 0.00 0.00 +0.231 C ATOM 9 O GLY A 13 -0.440 4.433 2.797 0.00 0.00 -0.274 OA BRANCH 8 10 ATOM 10 CA GLY A 13 0.531 2.717 4.195 0.00 0.00 +0.200 C BRANCH 10 11 ATOM 11 N GLY A 13 -0.776 2.081 4.266 0.00 0.00 -0.305 N ATOM 12 H GLY A 13 -1.383 2.243 3.470 0.00 0.00 +0.149 HD ATOM 13 C ALA A 12 -0.992 0.957 5.026 0.00 0.00 +0.233 C ATOM 14 O ALA A 12 -0.183 0.538 5.853 0.00 0.00 -0.274 OA BRANCH 13 15 ATOM 15 CA ALA A 12 -2.357 0.262 4.802 0.00 0.00 +0.156 C ATOM 16 CB ALA A 12 -3.473 1.117 5.392 0.00 0.00 +0.038 C BRANCH 15 17 ATOM 17 N ALA A 12 -2.299 -1.066 5.418 0.00 0.00 -0.303 N ATOM 18 H ALA A 12 -1.417 -1.264 5.876 0.00 0.00 +0.149 HD ATOM 19 C HIS A 11 -3.206 -2.065 5.141 0.00 0.00 +0.234 C ATOM 20 O HIS A 11 -4.241 -1.848 4.503 0.00 0.00 -0.274 OA BRANCH 19 21 ATOM 21 CA HIS A 11 -2.968 -3.438 5.835 0.00 0.00 +0.165 C BRANCH 21 22 ATOM 22 N HIS A 11 -3.941 -4.409 5.292 0.00 0.00 -0.302 N ATOM 23 H HIS A 11 -4.902 -4.122 5.434 0.00 0.00 +0.150 HD ATOM 24 C THR A 10 -3.720 -5.172 4.163 0.00 0.00 +0.236 C ATOM 25 O THR A 10 -2.645 -5.159 3.566 0.00 0.00 -0.274 OA BRANCH 24 26 ATOM 26 CA THR A 10 -4.944 -5.967 3.612 0.00 0.00 +0.187 C BRANCH 26 27 ATOM 27 N THR A 10 -4.553 -6.941 2.580 0.00 0.00 -0.300 N ATOM 28 H THR A 10 -5.071 -6.964 1.711 0.00 0.00 +0.150 HD ATOM 29 C ALA A 9 -3.725 -8.012 2.841 0.00 0.00 +0.234 C ATOM 30 O ALA A 9 -3.183 -8.159 3.936 0.00 0.00 -0.274 OA BRANCH 29 31 ATOM 31 CA ALA A 9 -3.672 -9.095 1.737 0.00 0.00 +0.156 C ATOM 32 CB ALA A 9 -2.345 -9.845 1.745 0.00 0.00 +0.038 C BRANCH 31 33 ATOM 33 N ALA A 9 -4.052 -8.627 0.404 0.00 0.00 -0.303 N ATOM 34 H ALA A 9 -4.620 -9.267 -0.160 0.00 0.00 +0.149 HD ATOM 35 C THR A 8 -3.263 -7.773 -0.332 0.00 0.00 +0.236 C ATOM 36 O THR A 8 -2.302 -7.167 0.145 0.00 0.00 -0.274 OA BRANCH 35 37 ATOM 37 CA THR A 8 -3.708 -7.587 -1.799 0.00 0.00 +0.187 C BRANCH 37 38 ATOM 38 N THR A 8 -2.884 -6.526 -2.371 0.00 0.00 -0.300 N ATOM 39 H THR A 8 -2.320 -6.001 -1.708 0.00 0.00 +0.150 HD ATOM 40 C PRO A 7 -3.236 -5.862 -3.527 0.00 0.00 +0.234 C ATOM 41 O PRO A 7 -4.013 -6.334 -4.350 0.00 0.00 -0.274 OA BRANCH 40 42 ATOM 42 CA PRO A 7 -2.478 -4.542 -3.752 0.00 0.00 +0.162 C ATOM 43 N PRO A 7 -2.254 -3.867 -2.461 0.00 0.00 -0.288 N ATOM 44 C HIS A 6 -3.323 -3.305 -1.796 0.00 0.00 +0.237 C ATOM 45 O HIS A 6 -4.477 -3.418 -2.243 0.00 0.00 -0.274 OA ATOM 46 CD PRO A 7 -0.844 -3.548 -2.280 0.00 0.00 +0.109 C ATOM 47 CG PRO A 7 -0.261 -3.650 -3.680 0.00 0.00 +0.021 C ATOM 48 CB PRO A 7 -1.071 -4.782 -4.299 0.00 0.00 +0.033 C BRANCH 44 49 ATOM 49 CA HIS A 6 -3.090 -2.625 -0.430 0.00 0.00 +0.165 C BRANCH 49 50 ATOM 50 N HIS A 6 -4.313 -1.854 -0.180 0.00 0.00 -0.302 N ATOM 51 H HIS A 6 -5.140 -2.093 -0.721 0.00 0.00 +0.150 HD ATOM 52 C HIS A 5 -4.460 -1.003 0.879 0.00 0.00 +0.234 C ATOM 53 O HIS A 5 -3.537 -0.742 1.641 0.00 0.00 -0.274 OA BRANCH 52 54 ATOM 54 CA HIS A 5 -5.807 -0.265 0.927 0.00 0.00 +0.165 C BRANCH 54 55 ATOM 55 N HIS A 5 -6.862 -0.823 0.070 0.00 0.00 -0.302 N ATOM 56 H HIS A 5 -7.376 -0.131 -0.479 0.00 0.00 +0.150 HD ATOM 57 C HIS A 4 -7.588 -1.948 0.391 0.00 0.00 +0.234 C ATOM 58 O HIS A 4 -7.221 -2.737 1.258 0.00 0.00 -0.274 OA BRANCH 57 59 ATOM 59 CA HIS A 4 -8.866 -2.180 -0.455 0.00 0.00 +0.165 C BRANCH 59 60 ATOM 60 N HIS A 4 -9.888 -1.137 -0.243 0.00 0.00 -0.302 N ATOM 61 H HIS A 4 -10.819 -1.480 -0.021 0.00 0.00 +0.150 HD ATOM 62 C HIS A 3 -9.792 0.162 -0.703 0.00 0.00 +0.234 C ATOM 63 O HIS A 3 -8.753 0.587 -1.209 0.00 0.00 -0.274 OA BRANCH 62 64 ATOM 64 CA HIS A 3 -11.078 1.015 -0.525 0.00 0.00 +0.165 C BRANCH 64 65 ATOM 65 N HIS A 3 -10.691 2.401 -0.250 0.00 0.00 -0.302 N ATOM 66 H HIS A 3 -10.280 2.570 0.667 0.00 0.00 +0.150 HD ATOM 67 C HIS A 2 -10.464 3.367 -1.203 0.00 0.00 +0.234 C ATOM 68 O HIS A 2 -10.712 3.213 -2.397 0.00 0.00 -0.274 OA BRANCH 67 69 ATOM 69 CA HIS A 2 -9.737 4.637 -0.696 0.00 0.00 +0.165 C BRANCH 69 70 ATOM 70 N HIS A 2 -9.858 4.787 0.762 0.00 0.00 -0.302 N ATOM 71 H HIS A 2 -9.274 4.183 1.343 0.00 0.00 +0.150 HD ATOM 72 C HIS A 1 -10.865 5.343 1.488 0.00 0.00 +0.231 C ATOM 73 O HIS A 1 -10.913 5.102 2.701 0.00 0.00 -0.274 OA BRANCH 72 74 ATOM 74 CA HIS A 1 -11.983 6.195 0.860 0.00 0.00 +0.143 C BRANCH 74 75 ATOM 75 N HIS A 1 -11.415 7.284 0.036 0.00 0.00 -0.320 NA ATOM 76 H1 HIS A 1 -10.761 7.815 0.615 0.00 0.00 +0.119 HD ATOM 77 H2 HIS A 1 -12.159 7.936 -0.210 0.00 0.00 +0.119 HD ENDBRANCH 74 75 BRANCH 74 78 ATOM 78 CB HIS A 1 -13.013 5.357 0.084 0.00 0.00 +0.082 C BRANCH 78 79 ATOM 79 CG HIS A 1 -13.594 4.168 0.794 0.00 0.00 +0.037 A ATOM 80 ND1 HIS A 1 -13.408 3.851 2.120 0.00 0.00 -0.348 N ATOM 81 HD1 HIS A 1 -12.834 4.346 2.796 0.00 0.00 +0.166 HD ATOM 82 CE1 HIS A 1 -14.058 2.673 2.360 0.00 0.00 +0.196 A ATOM 83 NE2 HIS A 1 -14.658 2.224 1.284 0.00 0.00 -0.244 NA ATOM 84 CD2 HIS A 1 -14.398 3.156 0.313 0.00 0.00 +0.133 A ENDBRANCH 78 79 ENDBRANCH 74 78 ENDBRANCH 72 74 ENDBRANCH 69 70 BRANCH 69 85 ATOM 85 CB HIS A 2 -8.283 4.463 -1.161 0.00 0.00 +0.086 C BRANCH 85 86 ATOM 86 CG HIS A 2 -7.331 5.521 -0.724 0.00 0.00 +0.038 A ATOM 87 ND1 HIS A 2 -6.861 6.503 -1.562 0.00 0.00 -0.348 N ATOM 88 HD1 HIS A 2 -7.133 6.659 -2.524 0.00 0.00 +0.166 HD ATOM 89 CE1 HIS A 2 -5.889 7.185 -0.889 0.00 0.00 +0.196 A ATOM 90 NE2 HIS A 2 -5.711 6.706 0.325 0.00 0.00 -0.244 NA ATOM 91 CD2 HIS A 2 -6.666 5.729 0.464 0.00 0.00 +0.133 A ENDBRANCH 85 86 ENDBRANCH 69 85 ENDBRANCH 67 69 ENDBRANCH 64 65 BRANCH 64 92 ATOM 92 CB HIS A 3 -12.034 0.819 -1.713 0.00 0.00 +0.086 C BRANCH 92 93 ATOM 93 CG HIS A 3 -12.692 -0.518 -1.722 0.00 0.00 +0.038 A ATOM 94 ND1 HIS A 3 -12.526 -1.425 -2.741 0.00 0.00 -0.348 N ATOM 95 HD1 HIS A 3 -11.991 -1.292 -3.589 0.00 0.00 +0.166 HD ATOM 96 CE1 HIS A 3 -13.230 -2.545 -2.408 0.00 0.00 +0.196 A ATOM 97 NE2 HIS A 3 -13.839 -2.405 -1.255 0.00 0.00 -0.244 NA ATOM 98 CD2 HIS A 3 -13.562 -1.128 -0.845 0.00 0.00 +0.133 A ENDBRANCH 92 93 ENDBRANCH 64 92 ENDBRANCH 62 64 ENDBRANCH 59 60 BRANCH 59 99 ATOM 99 CB HIS A 4 -8.539 -2.399 -1.945 0.00 0.00 +0.086 C BRANCH 99 100 ATOM 100 CG HIS A 4 -8.314 -3.835 -2.279 0.00 0.00 +0.038 A ATOM 101 ND1 HIS A 4 -7.096 -4.361 -2.630 0.00 0.00 -0.348 N ATOM 102 HD1 HIS A 4 -6.199 -3.879 -2.693 0.00 0.00 +0.166 HD ATOM 103 CE1 HIS A 4 -7.290 -5.684 -2.918 0.00 0.00 +0.196 A ATOM 104 NE2 HIS A 4 -8.538 -6.046 -2.715 0.00 0.00 -0.244 NA ATOM 105 CD2 HIS A 4 -9.185 -4.906 -2.329 0.00 0.00 +0.133 A ENDBRANCH 99 100 ENDBRANCH 59 99 ENDBRANCH 57 59 ENDBRANCH 54 55 BRANCH 54 106 ATOM 106 CB HIS A 5 -6.234 -0.012 2.385 0.00 0.00 +0.086 C BRANCH 106 107 ATOM 107 CG HIS A 5 -7.435 0.869 2.464 0.00 0.00 +0.038 A ATOM 108 ND1 HIS A 5 -8.520 0.605 3.258 0.00 0.00 -0.348 N ATOM 109 HD1 HIS A 5 -8.626 -0.179 3.889 0.00 0.00 +0.166 HD ATOM 110 CE1 HIS A 5 -9.433 1.599 3.043 0.00 0.00 +0.196 A ATOM 111 NE2 HIS A 5 -9.005 2.466 2.150 0.00 0.00 -0.244 NA ATOM 112 CD2 HIS A 5 -7.742 2.049 1.828 0.00 0.00 +0.133 A ENDBRANCH 106 107 ENDBRANCH 54 106 ENDBRANCH 52 54 ENDBRANCH 49 50 BRANCH 49 113 ATOM 113 CB HIS A 6 -2.843 -3.668 0.672 0.00 0.00 +0.086 C BRANCH 113 114 ATOM 114 CG HIS A 6 -1.400 -3.829 1.008 0.00 0.00 +0.038 A ATOM 115 ND1 HIS A 6 -0.812 -5.055 1.205 0.00 0.00 -0.348 N ATOM 116 HD1 HIS A 6 -1.281 -5.957 1.174 0.00 0.00 +0.166 HD ATOM 117 CE1 HIS A 6 0.499 -4.833 1.521 0.00 0.00 +0.196 A ATOM 118 NE2 HIS A 6 0.779 -3.550 1.551 0.00 0.00 -0.244 NA ATOM 119 CD2 HIS A 6 -0.411 -2.918 1.317 0.00 0.00 +0.133 A ENDBRANCH 113 114 ENDBRANCH 49 113 ENDBRANCH 44 49 ENDBRANCH 40 42 ENDBRANCH 37 38 BRANCH 37 120 ATOM 120 CB THR A 8 -3.682 -8.909 -2.592 0.00 0.00 +0.141 C ATOM 121 CG2 THR A 8 -2.316 -9.585 -2.623 0.00 0.00 +0.040 C BRANCH 120 122 ATOM 122 OG1 THR A 8 -4.635 -9.826 -2.026 0.00 0.00 -0.390 OA ATOM 123 HG1 THR A 8 -4.769 -10.532 -2.688 0.00 0.00 +0.210 HD ENDBRANCH 120 122 ENDBRANCH 37 120 ENDBRANCH 35 37 ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 26 27 BRANCH 26 124 ATOM 124 CB THR A 10 -5.877 -6.578 4.694 0.00 0.00 +0.141 C ATOM 125 CG2 THR A 10 -7.216 -6.991 4.084 0.00 0.00 +0.040 C BRANCH 124 126 ATOM 126 OG1 THR A 10 -5.356 -7.726 5.364 0.00 0.00 -0.390 OA ATOM 127 HG1 THR A 10 -4.389 -7.787 5.194 0.00 0.00 +0.210 HD ENDBRANCH 124 126 ENDBRANCH 26 124 ENDBRANCH 24 26 ENDBRANCH 21 22 BRANCH 21 128 ATOM 128 CB HIS A 11 -1.495 -3.889 5.888 0.00 0.00 +0.086 C BRANCH 128 129 ATOM 129 CG HIS A 11 -1.282 -5.144 6.673 0.00 0.00 +0.038 A ATOM 130 ND1 HIS A 11 -1.101 -5.171 8.034 0.00 0.00 -0.348 N ATOM 131 HD1 HIS A 11 -1.096 -4.378 8.661 0.00 0.00 +0.166 HD ATOM 132 CE1 HIS A 11 -0.915 -6.472 8.401 0.00 0.00 +0.196 A ATOM 133 NE2 HIS A 11 -0.954 -7.275 7.365 0.00 0.00 -0.244 NA ATOM 134 CD2 HIS A 11 -1.190 -6.463 6.286 0.00 0.00 +0.133 A ENDBRANCH 128 129 ENDBRANCH 21 128 ENDBRANCH 19 21 ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 5 6 BRANCH 5 135 ATOM 135 CB LEU A 14 2.619 6.064 1.536 0.00 0.00 +0.034 C BRANCH 135 136 ATOM 136 CG LEU A 14 1.848 7.083 2.403 0.00 0.00 -0.015 C ATOM 137 CD2 LEU A 14 2.784 8.230 2.792 0.00 0.00 +0.007 C ATOM 138 CD1 LEU A 14 0.624 7.653 1.685 0.00 0.00 +0.007 C ENDBRANCH 135 136 ENDBRANCH 5 135 ENDBRANCH 3 5 BRANCH 1 139 ATOM 139 CA VAL A 15 4.605 3.126 -0.968 0.00 0.00 +0.161 C BRANCH 139 142 ATOM 140 N ALA A 16 6.573 1.655 -0.703 0.00 0.00 -0.303 N ATOM 141 H ALA A 16 6.100 1.114 -1.429 0.00 0.00 +0.149 HD ATOM 142 C VAL A 15 5.993 2.854 -0.348 0.00 0.00 +0.234 C ATOM 143 O VAL A 15 6.507 3.672 0.418 0.00 0.00 -0.274 OA BRANCH 140 144 ATOM 144 CA ALA A 16 8.003 1.348 -0.526 0.00 0.00 +0.156 C ATOM 145 CB ALA A 16 8.523 1.527 0.894 0.00 0.00 +0.038 C BRANCH 144 148 ATOM 146 N THR A 17 7.432 -1.021 -0.312 0.00 0.00 -0.300 N ATOM 147 H THR A 17 6.540 -0.677 0.030 0.00 0.00 +0.150 HD ATOM 148 C ALA A 16 8.277 -0.118 -0.915 0.00 0.00 +0.234 C ATOM 149 O ALA A 16 9.248 -0.438 -1.591 0.00 0.00 -0.274 OA BRANCH 146 150 ATOM 150 CA THR A 17 7.527 -2.473 -0.546 0.00 0.00 +0.187 C BRANCH 150 153 ATOM 151 N VAL A 18 6.971 -4.032 -2.358 0.00 0.00 -0.302 N ATOM 152 H VAL A 18 7.833 -4.475 -2.058 0.00 0.00 +0.150 HD ATOM 153 C THR A 17 6.727 -2.780 -1.831 0.00 0.00 +0.236 C ATOM 154 O THR A 17 5.974 -1.960 -2.357 0.00 0.00 -0.274 OA BRANCH 151 155 ATOM 155 CA VAL A 18 6.575 -4.418 -3.714 0.00 0.00 +0.161 C BRANCH 155 158 ATOM 156 N LYS A 19 7.247 -2.579 -5.260 0.00 0.00 -0.302 N ATOM 157 H LYS A 19 6.327 -2.180 -5.092 0.00 0.00 +0.150 HD ATOM 158 C VAL A 18 7.626 -3.723 -4.606 0.00 0.00 +0.234 C ATOM 159 O VAL A 18 8.800 -4.104 -4.583 0.00 0.00 -0.274 OA BRANCH 156 160 ATOM 160 CA LYS A 19 8.234 -1.690 -5.866 0.00 0.00 +0.159 C BRANCH 160 163 ATOM 161 N GLU A 20 8.316 0.815 -6.029 0.00 0.00 -0.302 N ATOM 162 H GLU A 20 7.759 1.622 -6.313 0.00 0.00 +0.150 HD ATOM 163 C LYS A 19 7.581 -0.332 -6.169 0.00 0.00 +0.234 C ATOM 164 O LYS A 19 6.423 -0.249 -6.583 0.00 0.00 -0.274 OA BRANCH 161 165 ATOM 165 CA GLU A 20 9.219 1.119 -4.903 0.00 0.00 +0.159 C BRANCH 165 168 ATOM 166 N ALA A 21 9.971 3.200 -3.739 0.00 0.00 -0.303 N ATOM 167 H ALA A 21 10.571 2.567 -3.227 0.00 0.00 +0.149 HD ATOM 168 C GLU A 20 9.156 2.666 -4.711 0.00 0.00 +0.234 C ATOM 169 O GLU A 20 8.368 3.348 -5.367 0.00 0.00 -0.274 OA BRANCH 166 170 ATOM 170 CA ALA A 21 10.452 4.596 -3.706 0.00 0.00 +0.156 C ATOM 171 CB ALA A 21 9.728 5.602 -4.603 0.00 0.00 +0.038 C BRANCH 170 174 ATOM 172 N GLY A 22 9.260 4.902 -1.575 0.00 0.00 -0.305 N ATOM 173 H GLY A 22 8.539 4.402 -2.080 0.00 0.00 +0.149 HD ATOM 174 C ALA A 21 10.428 5.156 -2.269 0.00 0.00 +0.233 C ATOM 175 O ALA A 21 11.309 5.905 -1.850 0.00 0.00 -0.274 OA BRANCH 172 176 ATOM 176 CA GLY A 22 8.861 5.766 -0.483 0.00 0.00 +0.200 C BRANCH 176 179 ATOM 177 N ARG A 23 8.077 5.460 1.799 0.00 0.00 -0.303 N ATOM 178 H ARG A 23 7.180 5.214 1.389 0.00 0.00 +0.149 HD ATOM 179 C GLY A 22 9.155 5.281 0.946 0.00 0.00 +0.231 C ATOM 180 O GLY A 22 10.237 4.846 1.316 0.00 0.00 -0.274 OA BRANCH 177 181 ATOM 181 CA ARG A 23 8.223 5.371 3.250 0.00 0.00 +0.159 C BRANCH 181 184 ATOM 182 N SER A 24 6.871 3.285 3.447 0.00 0.00 -0.301 N ATOM 183 H SER A 24 6.546 3.462 2.500 0.00 0.00 +0.150 HD ATOM 184 C ARG A 23 8.026 3.955 3.829 0.00 0.00 +0.234 C ATOM 185 O ARG A 23 8.756 3.525 4.723 0.00 0.00 -0.274 OA BRANCH 182 186 ATOM 186 CA SER A 24 6.625 1.946 3.990 0.00 0.00 +0.184 C BRANCH 186 189 ATOM 187 N ILE A 25 5.575 -0.148 3.310 0.00 0.00 -0.302 N ATOM 188 H ILE A 25 6.311 -0.465 3.944 0.00 0.00 +0.150 HD ATOM 189 C SER A 24 5.438 1.228 3.296 0.00 0.00 +0.236 C ATOM 190 O SER A 24 4.477 1.830 2.818 0.00 0.00 -0.274 OA BRANCH 187 191 ATOM 191 CA ILE A 25 4.534 -1.177 3.128 0.00 0.00 +0.162 C BRANCH 191 194 ATOM 192 N HIS A 26 3.097 -0.025 1.468 0.00 0.00 -0.302 N ATOM 193 H HIS A 26 3.134 0.720 2.160 0.00 0.00 +0.150 HD ATOM 194 C ILE A 25 3.783 -1.166 1.769 0.00 0.00 +0.234 C ATOM 195 O ILE A 25 3.849 -2.133 1.017 0.00 0.00 -0.274 OA BRANCH 192 196 ATOM 196 CA HIS A 26 2.319 0.270 0.254 0.00 0.00 +0.165 C BRANCH 196 199 ATOM 197 N GLU A 27 -0.037 0.614 -0.446 0.00 0.00 -0.302 N ATOM 198 H GLU A 27 0.134 0.002 -1.246 0.00 0.00 +0.150 HD ATOM 199 C HIS A 26 0.831 0.534 0.616 0.00 0.00 +0.234 C ATOM 200 O HIS A 26 0.479 0.831 1.759 0.00 0.00 -0.274 OA BRANCH 197 201 ATOM 201 CA GLU A 27 -1.432 1.058 -0.340 0.00 0.00 +0.159 C BRANCH 201 204 ATOM 202 N ILE A 28 -3.346 1.055 -1.984 0.00 0.00 -0.301 N ATOM 203 H ILE A 28 -3.579 1.995 -1.672 0.00 0.00 +0.150 HD ATOM 204 C GLU A 27 -2.085 0.589 -1.667 0.00 0.00 +0.234 C ATOM 205 O GLU A 27 -1.505 -0.236 -2.381 0.00 0.00 -0.274 OA BRANCH 202 206 ATOM 206 CA ILE A 28 -3.894 0.711 -3.311 0.00 0.00 +0.185 C BRANCH 206 207 ATOM 207 C ILE A 28 -3.309 1.698 -4.329 0.00 0.00 +0.326 C ATOM 208 O ILE A 28 -2.931 2.837 -4.090 0.00 0.00 -0.249 OA BRANCH 207 209 ATOM 209 OXT ILE A 28 -3.220 1.197 -5.577 0.00 0.00 -0.479 OA ATOM 210 HXT ILE A 28 -2.777 1.900 -6.094 0.00 0.00 +0.295 HD ENDBRANCH 207 209 ENDBRANCH 206 207 BRANCH 206 211 ATOM 211 CB ILE A 28 -5.439 0.662 -3.312 0.00 0.00 +0.017 C ATOM 212 CG2 ILE A 28 -6.081 2.010 -2.968 0.00 0.00 +0.010 C BRANCH 211 214 ATOM 213 CD1 ILE A 28 -5.612 -1.268 -5.006 0.00 0.00 +0.004 C ATOM 214 CG1 ILE A 28 -6.046 0.141 -4.635 0.00 0.00 +0.002 C ENDBRANCH 211 214 ENDBRANCH 206 211 ENDBRANCH 202 206 ENDBRANCH 201 204 BRANCH 201 215 ATOM 215 CB GLU A 27 -1.517 2.571 -0.110 0.00 0.00 +0.043 C BRANCH 215 216 ATOM 216 CG GLU A 27 -2.719 2.944 0.757 0.00 0.00 +0.123 C BRANCH 216 217 ATOM 217 CD GLU A 27 -3.518 4.044 0.133 0.00 0.00 +0.305 C ATOM 218 OE1 GLU A 27 -4.153 3.909 -0.903 0.00 0.00 -0.251 OA BRANCH 217 219 ATOM 219 OE2 GLU A 27 -3.502 5.175 0.854 0.00 0.00 -0.481 OA ATOM 220 HE2 GLU A 27 -4.176 5.799 0.483 0.00 0.00 +0.295 HD ENDBRANCH 217 219 ENDBRANCH 216 217 ENDBRANCH 215 216 ENDBRANCH 201 215 ENDBRANCH 197 201 ENDBRANCH 196 199 BRANCH 196 221 ATOM 221 CB HIS A 26 2.579 -0.630 -0.967 0.00 0.00 +0.086 C BRANCH 221 222 ATOM 222 CG HIS A 26 2.403 0.002 -2.323 0.00 0.00 +0.038 A ATOM 223 ND1 HIS A 26 1.880 1.248 -2.591 0.00 0.00 -0.348 N ATOM 224 HD1 HIS A 26 1.545 1.938 -1.921 0.00 0.00 +0.166 HD ATOM 225 CE1 HIS A 26 1.880 1.421 -3.943 0.00 0.00 +0.196 A ATOM 226 NE2 HIS A 26 2.394 0.387 -4.561 0.00 0.00 -0.244 NA ATOM 227 CD2 HIS A 26 2.720 -0.498 -3.571 0.00 0.00 +0.133 A ENDBRANCH 221 222 ENDBRANCH 196 221 ENDBRANCH 192 196 ENDBRANCH 191 194 BRANCH 191 228 ATOM 228 CB ILE A 25 3.683 -1.429 4.398 0.00 0.00 +0.015 C ATOM 229 CG2 ILE A 25 2.739 -0.290 4.756 0.00 0.00 +0.010 C BRANCH 228 230 ATOM 230 CG1 ILE A 25 2.920 -2.767 4.276 0.00 0.00 +0.002 C ATOM 231 CD1 ILE A 25 2.274 -3.234 5.573 0.00 0.00 +0.004 C ENDBRANCH 228 230 ENDBRANCH 191 228 ENDBRANCH 187 191 ENDBRANCH 186 189 BRANCH 186 232 ATOM 232 CB SER A 24 6.316 1.932 5.502 0.00 0.00 +0.187 C BRANCH 232 233 ATOM 233 OG SER A 24 6.393 0.593 6.007 0.00 0.00 -0.393 OA ATOM 234 H SER A 24 6.330 0.663 6.978 0.00 0.00 +0.209 HD ENDBRANCH 232 233 ENDBRANCH 186 232 ENDBRANCH 182 186 ENDBRANCH 181 184 BRANCH 181 235 ATOM 235 CB ARG A 23 7.204 6.303 3.934 0.00 0.00 +0.033 C BRANCH 235 236 ATOM 236 CG ARG A 23 7.595 7.786 3.953 0.00 0.00 +0.023 C BRANCH 236 237 ATOM 237 CD ARG A 23 7.747 8.419 2.570 0.00 0.00 +0.115 C BRANCH 237 238 ATOM 238 NE ARG A 23 7.826 9.868 2.673 0.00 0.00 -0.356 N ATOM 239 HE ARG A 23 8.587 10.155 3.289 0.00 0.00 +0.162 HD BRANCH 238 240 ATOM 240 CZ ARG A 23 6.755 10.644 2.941 0.00 0.00 +0.188 C ATOM 241 NH1 ARG A 23 6.813 11.547 3.849 0.00 0.00 -0.269 NA ATOM 242 HH1 ARG A 23 5.912 12.021 3.924 0.00 0.00 +0.190 HD BRANCH 240 243 ATOM 243 NH2 ARG A 23 5.670 10.415 2.179 0.00 0.00 -0.370 N ATOM 244 HH21 ARG A 23 5.923 10.143 1.236 0.00 0.00 +0.159 HD ATOM 245 HH22 ARG A 23 5.004 11.177 2.168 0.00 0.00 +0.159 HD ENDBRANCH 240 243 ENDBRANCH 238 240 ENDBRANCH 237 238 ENDBRANCH 236 237 ENDBRANCH 235 236 ENDBRANCH 181 235 ENDBRANCH 177 181 ENDBRANCH 176 179 ENDBRANCH 172 176 ENDBRANCH 170 174 ENDBRANCH 166 170 ENDBRANCH 165 168 BRANCH 165 246 ATOM 246 CB GLU A 20 10.652 0.639 -5.167 0.00 0.00 +0.043 C BRANCH 246 247 ATOM 247 CG GLU A 20 11.234 -0.084 -3.947 0.00 0.00 +0.123 C BRANCH 247 248 ATOM 248 CD GLU A 20 12.663 -0.512 -4.161 0.00 0.00 +0.305 C ATOM 249 OE1 GLU A 20 13.385 -0.106 -5.054 0.00 0.00 -0.251 OA BRANCH 248 250 ATOM 250 OE2 GLU A 20 13.087 -1.381 -3.215 0.00 0.00 -0.481 OA ATOM 251 HE2 GLU A 20 12.405 -1.610 -2.550 0.00 0.00 +0.295 HD ENDBRANCH 248 250 ENDBRANCH 247 248 ENDBRANCH 246 247 ENDBRANCH 165 246 ENDBRANCH 161 165 ENDBRANCH 160 163 BRANCH 160 252 ATOM 252 CB LYS A 19 8.898 -2.282 -7.123 0.00 0.00 +0.032 C BRANCH 252 253 ATOM 253 CG LYS A 19 7.909 -2.756 -8.198 0.00 0.00 +0.003 C BRANCH 253 254 ATOM 254 CD LYS A 19 8.588 -3.476 -9.369 0.00 0.00 +0.015 C BRANCH 254 255 ATOM 255 CE LYS A 19 9.109 -4.865 -8.998 0.00 0.00 +0.077 C BRANCH 255 256 ATOM 256 NZ LYS A 19 9.649 -5.535 -10.177 0.00 0.00 -0.330 NA ATOM 257 HZ1 LYS A 19 10.451 -5.013 -10.528 0.00 0.00 +0.118 HD ATOM 258 HZ2 LYS A 19 10.004 -6.453 -9.906 0.00 0.00 +0.118 HD ENDBRANCH 255 256 ENDBRANCH 254 255 ENDBRANCH 253 254 ENDBRANCH 252 253 ENDBRANCH 160 252 ENDBRANCH 156 160 ENDBRANCH 155 158 BRANCH 155 259 ATOM 259 CB VAL A 18 5.083 -4.263 -4.066 0.00 0.00 +0.012 C ATOM 260 CG2 VAL A 18 4.781 -4.912 -5.423 0.00 0.00 +0.009 C ATOM 261 CG1 VAL A 18 4.187 -4.904 -2.997 0.00 0.00 +0.009 C ENDBRANCH 155 259 ENDBRANCH 151 155 ENDBRANCH 150 153 BRANCH 150 262 ATOM 262 CB THR A 17 7.063 -3.238 0.710 0.00 0.00 +0.141 C ATOM 263 CG2 THR A 17 6.820 -4.734 0.551 0.00 0.00 +0.040 C BRANCH 262 264 ATOM 264 OG1 THR A 17 8.069 -3.072 1.730 0.00 0.00 -0.390 OA ATOM 265 HG1 THR A 17 7.768 -3.547 2.525 0.00 0.00 +0.210 HD ENDBRANCH 262 264 ENDBRANCH 150 262 ENDBRANCH 146 150 ENDBRANCH 144 148 ENDBRANCH 140 144 ENDBRANCH 139 142 BRANCH 139 266 ATOM 266 CB VAL A 15 4.653 3.844 -2.337 0.00 0.00 +0.012 C ATOM 267 CG2 VAL A 15 5.260 5.246 -2.273 0.00 0.00 +0.009 C ATOM 268 CG1 VAL A 15 5.385 3.018 -3.400 0.00 0.00 +0.009 C ENDBRANCH 139 266 ENDBRANCH 1 139 TORSDOF 107