REMARK Name = BDB059694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ILE A 7 -11.324 1.025 0.719 0.00 0.00 +0.162 C ATOM 2 C ILE A 7 -11.114 1.950 -0.492 0.00 0.00 +0.234 C ATOM 3 O ILE A 7 -10.927 3.161 -0.346 0.00 0.00 -0.274 OA ATOM 4 N TRP A 8 -11.156 1.458 -1.766 0.00 0.00 -0.302 N ATOM 5 H TRP A 8 -10.884 2.153 -2.454 0.00 0.00 +0.150 HD ATOM 6 CA TRP A 8 -11.215 0.053 -2.230 0.00 0.00 +0.163 C ATOM 7 C TRP A 8 -9.755 -0.400 -2.461 0.00 0.00 +0.234 C ATOM 8 O TRP A 8 -9.140 -0.162 -3.499 0.00 0.00 -0.274 OA ATOM 9 N LYS A 9 -9.078 -0.841 -1.358 0.00 0.00 -0.302 N ATOM 10 H LYS A 9 -8.092 -0.684 -1.586 0.00 0.00 +0.150 HD ATOM 11 CA LYS A 9 -9.166 -2.211 -0.795 0.00 0.00 +0.159 C ATOM 12 C LYS A 9 -7.712 -2.764 -0.911 0.00 0.00 +0.234 C ATOM 13 O LYS A 9 -6.749 -1.989 -0.911 0.00 0.00 -0.274 OA ATOM 14 N LYS A 10 -7.527 -4.126 -0.939 0.00 0.00 -0.302 N ATOM 15 H LYS A 10 -8.305 -4.763 -0.799 0.00 0.00 +0.150 HD ATOM 16 CA LYS A 10 -6.205 -4.723 -0.877 0.00 0.00 +0.159 C ATOM 17 C LYS A 10 -6.217 -6.055 -1.633 0.00 0.00 +0.234 C ATOM 18 O LYS A 10 -7.274 -6.666 -1.834 0.00 0.00 -0.274 OA ATOM 19 N CYS A 11 -5.040 -6.658 -1.999 0.00 0.00 -0.302 N ATOM 20 H CYS A 11 -5.272 -7.513 -2.486 0.00 0.00 +0.150 HD ATOM 21 CA CYS A 11 -3.829 -6.007 -2.558 0.00 0.00 +0.169 C ATOM 22 C CYS A 11 -3.060 -7.138 -3.268 0.00 0.00 +0.235 C ATOM 23 N ARG A 12 -2.350 -8.081 -2.592 0.00 0.00 -0.302 N ATOM 24 H ARG A 12 -1.908 -8.759 -3.214 0.00 0.00 +0.150 HD ATOM 25 CA ARG A 12 -2.072 -8.299 -1.172 0.00 0.00 +0.159 C ATOM 26 C ARG A 12 -0.737 -9.049 -1.024 0.00 0.00 +0.234 C ATOM 27 N ARG A 13 -0.073 -9.021 0.168 0.00 0.00 -0.302 N ATOM 28 H ARG A 13 0.856 -9.464 0.084 0.00 0.00 +0.150 HD ATOM 29 CA ARG A 13 -0.256 -8.057 1.266 0.00 0.00 +0.159 C ATOM 30 C ARG A 13 0.412 -6.708 0.905 0.00 0.00 +0.234 C ATOM 31 N ASP A 14 1.742 -6.597 0.620 0.00 0.00 -0.302 N ATOM 32 H ASP A 14 1.974 -5.638 0.355 0.00 0.00 +0.150 HD ATOM 33 CA ASP A 14 2.831 -7.326 1.264 0.00 0.00 +0.169 C ATOM 34 C ASP A 14 3.258 -6.525 2.510 0.00 0.00 +0.235 C ATOM 35 N SER A 15 3.789 -5.274 2.451 0.00 0.00 -0.301 N ATOM 36 H SER A 15 4.014 -4.954 3.390 0.00 0.00 +0.150 HD ATOM 37 CA SER A 15 4.551 -4.625 1.370 0.00 0.00 +0.184 C ATOM 38 C SER A 15 5.875 -4.167 2.013 0.00 0.00 +0.236 C ATOM 39 N ASP A 16 5.961 -3.075 2.826 0.00 0.00 -0.302 N ATOM 40 H ASP A 16 6.870 -3.027 3.282 0.00 0.00 +0.150 HD ATOM 41 CA ASP A 16 5.202 -1.818 2.872 0.00 0.00 +0.169 C ATOM 42 C ASP A 16 6.253 -0.762 3.273 0.00 0.00 +0.235 C ATOM 43 N CYS A 17 6.094 0.502 2.717 0.00 0.00 -0.302 N ATOM 44 H CYS A 17 5.497 0.593 1.910 0.00 0.00 +0.150 HD ATOM 45 CA CYS A 17 7.288 1.362 2.731 0.00 0.00 +0.170 C ATOM 46 CB CYS A 17 8.438 0.765 1.865 0.00 0.00 +0.112 C ATOM 47 SG CYS A 17 7.915 -0.052 0.299 0.00 0.00 -0.091 S ATOM 48 SG CYS A 29 7.744 1.500 -1.021 0.00 0.00 -0.091 S ATOM 49 CB CYS A 29 9.483 1.940 -1.411 0.00 0.00 +0.112 C ATOM 50 CA CYS A 29 10.375 0.737 -1.784 0.00 0.00 +0.169 C ATOM 51 N CYS A 29 11.215 1.066 -2.946 0.00 0.00 -0.302 N ATOM 52 H CYS A 29 11.385 2.039 -3.163 0.00 0.00 +0.150 HD ATOM 53 C TYR A 28 11.858 0.219 -3.812 0.00 0.00 +0.234 C ATOM 54 CA TYR A 28 11.850 -1.318 -3.574 0.00 0.00 +0.163 C ATOM 55 N TYR A 28 10.502 -1.890 -3.405 0.00 0.00 -0.302 N ATOM 56 H TYR A 28 10.446 -2.615 -2.686 0.00 0.00 +0.150 HD ATOM 57 C GLY A 27 9.543 -2.066 -4.347 0.00 0.00 +0.231 C ATOM 58 CA GLY A 27 9.425 -1.032 -5.478 0.00 0.00 +0.200 C ATOM 59 N GLY A 27 8.508 -1.459 -6.525 0.00 0.00 -0.305 N ATOM 60 H GLY A 27 8.878 -2.082 -7.240 0.00 0.00 +0.149 HD ATOM 61 C ASN A 26 7.148 -1.342 -6.624 0.00 0.00 +0.234 C ATOM 62 CA ASN A 26 6.319 -0.559 -5.594 0.00 0.00 +0.168 C ATOM 63 N ASN A 26 6.528 -1.138 -4.249 0.00 0.00 -0.302 N ATOM 64 H ASN A 26 7.000 -2.042 -4.233 0.00 0.00 +0.150 HD ATOM 65 C GLY A 25 5.647 -1.059 -3.194 0.00 0.00 +0.231 C ATOM 66 CA GLY A 25 4.742 0.164 -3.046 0.00 0.00 +0.200 C ATOM 67 N GLY A 25 3.339 -0.161 -3.223 0.00 0.00 -0.305 N ATOM 68 H GLY A 25 3.052 -0.508 -4.137 0.00 0.00 +0.149 HD ATOM 69 C ARG A 24 2.397 0.336 -2.356 0.00 0.00 +0.234 C ATOM 70 CA ARG A 24 0.919 0.184 -2.793 0.00 0.00 +0.159 C ATOM 71 N ARG A 24 0.154 0.638 -1.619 0.00 0.00 -0.302 N ATOM 72 H ARG A 24 0.733 1.117 -0.936 0.00 0.00 +0.150 HD ATOM 73 C CYS A 23 -1.112 0.477 -1.180 0.00 0.00 +0.235 C ATOM 74 CA CYS A 23 -2.233 -0.164 -2.018 0.00 0.00 +0.169 C ATOM 75 N CYS A 23 -2.626 0.740 -3.113 0.00 0.00 -0.302 N ATOM 76 H CYS A 23 -2.234 0.543 -4.034 0.00 0.00 +0.150 HD ATOM 77 C ILE A 22 -3.365 1.881 -3.113 0.00 0.00 +0.234 C ATOM 78 CA ILE A 22 -4.052 2.375 -1.821 0.00 0.00 +0.162 C ATOM 79 N ILE A 22 -4.290 3.821 -1.939 0.00 0.00 -0.302 N ATOM 80 H ILE A 22 -4.870 4.080 -2.729 0.00 0.00 +0.150 HD ATOM 81 C CYS A 21 -3.417 4.850 -1.677 0.00 0.00 +0.235 C ATOM 82 CA CYS A 21 -2.258 4.705 -0.670 0.00 0.00 +0.169 C ATOM 83 N CYS A 21 -1.201 3.928 -1.350 0.00 0.00 -0.302 N ATOM 84 H CYS A 21 -1.439 3.606 -2.285 0.00 0.00 +0.150 HD ATOM 85 C ALA A 20 0.145 3.995 -1.240 0.00 0.00 +0.234 C ATOM 86 CA ALA A 20 0.880 4.520 0.017 0.00 0.00 +0.156 C ATOM 87 N ALA A 20 2.307 4.192 -0.195 0.00 0.00 -0.303 N ATOM 88 H ALA A 20 2.565 3.999 -1.170 0.00 0.00 +0.149 HD ATOM 89 C GLY A 19 3.367 4.207 0.655 0.00 0.00 +0.231 C ATOM 90 CA GLY A 19 3.115 4.361 2.143 0.00 0.00 +0.200 C ATOM 91 N GLY A 19 3.084 3.059 2.778 0.00 0.00 -0.305 N ATOM 92 H GLY A 19 2.326 2.453 2.480 0.00 0.00 +0.149 HD ATOM 93 C PRO A 18 3.937 2.439 3.639 0.00 0.00 +0.234 C ATOM 94 CA PRO A 18 5.236 3.080 4.180 0.00 0.00 +0.162 C ATOM 95 N PRO A 18 6.178 3.607 3.181 0.00 0.00 -0.288 N ATOM 96 CD PRO A 18 6.481 5.009 3.446 0.00 0.00 +0.109 C ATOM 97 CG PRO A 18 6.100 5.205 4.903 0.00 0.00 +0.021 C ATOM 98 CB PRO A 18 4.911 4.276 5.095 0.00 0.00 +0.033 C ATOM 99 O PRO A 18 3.566 1.330 4.073 0.00 0.00 -0.274 OA ATOM 100 O GLY A 19 4.512 4.043 0.203 0.00 0.00 -0.274 OA ATOM 101 CB ALA A 20 0.730 6.033 0.173 0.00 0.00 +0.038 C ATOM 102 O ALA A 20 0.803 3.596 -2.215 0.00 0.00 -0.274 OA ATOM 103 CB CYS A 21 -2.693 4.160 0.705 0.00 0.00 +0.112 C ATOM 104 SG CYS A 21 -2.987 5.484 1.964 0.00 0.00 -0.091 S ATOM 105 SG CYS A 4 -4.249 6.799 1.039 0.00 0.00 -0.091 S ATOM 106 CB CYS A 4 -5.840 6.614 1.933 0.00 0.00 +0.112 C ATOM 107 CA CYS A 4 -6.721 7.881 1.804 0.00 0.00 +0.169 C ATOM 108 C CYS A 4 -7.880 7.755 2.806 0.00 0.00 +0.235 C ATOM 109 O CYS A 4 -7.755 8.067 3.998 0.00 0.00 -0.274 OA ATOM 110 N PHE A 5 -8.998 7.118 2.316 0.00 0.00 -0.302 N ATOM 111 H PHE A 5 -9.697 7.804 2.005 0.00 0.00 +0.150 HD ATOM 112 CA PHE A 5 -9.693 6.104 3.110 0.00 0.00 +0.163 C ATOM 113 C PHE A 5 -10.740 5.443 2.180 0.00 0.00 +0.234 C ATOM 114 O PHE A 5 -11.195 6.057 1.207 0.00 0.00 -0.274 OA ATOM 115 N ARG A 6 -11.256 4.197 2.453 0.00 0.00 -0.302 N ATOM 116 H ARG A 6 -11.786 3.882 1.645 0.00 0.00 +0.150 HD ATOM 117 CA ARG A 6 -10.671 3.178 3.313 0.00 0.00 +0.159 C ATOM 118 C ARG A 6 -9.785 2.172 2.542 0.00 0.00 +0.234 C ATOM 119 O ARG A 6 -8.571 2.154 2.797 0.00 0.00 -0.274 OA ATOM 120 O CYS A 21 -3.506 5.872 -2.360 0.00 0.00 -0.274 OA ATOM 121 O ILE A 22 -3.481 2.483 -4.182 0.00 0.00 -0.274 OA ATOM 122 CB CYS A 23 -1.956 -1.568 -2.563 0.00 0.00 +0.112 C ATOM 123 SG CYS A 23 -1.231 -2.719 -1.342 0.00 0.00 -0.091 S ATOM 124 SG CYS A 11 -1.438 -4.527 -2.312 0.00 0.00 -0.091 S ATOM 125 O CYS A 23 -1.386 0.945 -0.064 0.00 0.00 -0.274 OA ATOM 126 O ARG A 24 2.688 0.883 -1.294 0.00 0.00 -0.274 OA ATOM 127 O GLY A 25 5.612 -1.978 -2.367 0.00 0.00 -0.274 OA ATOM 128 O ASN A 26 6.613 -1.844 -7.623 0.00 0.00 -0.274 OA ATOM 129 O GLY A 27 8.707 -2.958 -4.217 0.00 0.00 -0.274 OA ATOM 130 O TYR A 28 12.476 0.731 -4.737 0.00 0.00 -0.274 OA ATOM 131 C CYS A 17 7.094 2.881 2.439 0.00 0.00 +0.237 C ATOM 132 O CYS A 17 7.902 3.480 1.708 0.00 0.00 -0.274 OA ATOM 133 O ASP A 16 7.207 -1.039 4.004 0.00 0.00 -0.274 OA ATOM 134 O SER A 15 6.857 -4.913 1.951 0.00 0.00 -0.274 OA ATOM 135 O ASP A 14 3.038 -6.971 3.644 0.00 0.00 -0.274 OA ATOM 136 O ARG A 13 -0.289 -5.692 0.854 0.00 0.00 -0.274 OA ATOM 137 O ARG A 12 -0.275 -9.700 -1.969 0.00 0.00 -0.274 OA ATOM 138 O CYS A 11 -3.220 -7.306 -4.481 0.00 0.00 -0.274 OA ATOM 139 CB CYS A 11 -3.026 -5.115 -1.606 0.00 0.00 +0.112 C ATOM 140 N ILE A 7 -10.192 1.236 1.652 0.00 0.00 -0.302 N ATOM 141 H ILE A 7 -9.353 0.768 1.318 0.00 0.00 +0.150 HD ENDROOT BRANCH 50 142 ATOM 142 C CYS A 29 11.292 0.338 -0.608 0.00 0.00 +0.235 C ATOM 143 N GLY A 30 12.128 1.343 -0.156 0.00 0.00 -0.305 N ATOM 144 H GLY A 30 12.420 2.028 -0.839 0.00 0.00 +0.149 HD ATOM 145 O CYS A 29 11.271 -0.790 -0.118 0.00 0.00 -0.274 OA BRANCH 143 146 ATOM 146 CA GLY A 30 13.059 1.076 0.924 0.00 0.00 +0.200 C BRANCH 146 147 ATOM 147 C GLY A 30 14.406 0.571 0.379 0.00 0.00 +0.231 C ATOM 148 N SER A 31 15.186 -0.029 1.348 0.00 0.00 -0.301 N ATOM 149 H SER A 31 14.920 0.143 2.309 0.00 0.00 +0.150 HD ATOM 150 O GLY A 30 14.745 0.720 -0.789 0.00 0.00 -0.274 OA BRANCH 148 151 ATOM 151 CA SER A 31 16.627 -0.270 1.181 0.00 0.00 +0.184 C BRANCH 151 152 ATOM 152 C SER A 31 17.390 1.023 1.570 0.00 0.00 +0.236 C ATOM 153 N GLY A 32 18.756 0.943 1.476 0.00 0.00 -0.305 N ATOM 154 H GLY A 32 19.192 0.102 1.079 0.00 0.00 +0.149 HD ATOM 155 O SER A 31 16.829 2.022 2.018 0.00 0.00 -0.274 OA BRANCH 153 156 ATOM 156 CA GLY A 32 19.625 2.031 1.879 0.00 0.00 +0.200 C BRANCH 156 157 ATOM 157 C GLY A 32 21.072 1.549 1.966 0.00 0.00 +0.231 C ATOM 158 N SER A 33 21.996 2.542 2.192 0.00 0.00 -0.301 N ATOM 159 H SER A 33 21.703 3.480 2.455 0.00 0.00 +0.150 HD ATOM 160 O GLY A 32 21.402 0.371 1.845 0.00 0.00 -0.274 OA BRANCH 158 161 ATOM 161 CA SER A 33 23.409 2.233 2.406 0.00 0.00 +0.184 C BRANCH 161 162 ATOM 162 C SER A 33 24.130 3.509 2.893 0.00 0.00 +0.236 C ATOM 163 N ASP A 34 25.471 3.355 3.171 0.00 0.00 -0.300 N ATOM 164 H ASP A 34 25.919 2.556 2.710 0.00 0.00 +0.150 HD ATOM 165 O SER A 33 23.538 4.578 3.031 0.00 0.00 -0.274 OA BRANCH 163 166 ATOM 166 CA ASP A 34 26.346 4.504 3.448 0.00 0.00 +0.192 C BRANCH 166 167 ATOM 167 C ASP A 34 27.786 3.987 3.303 0.00 0.00 +0.326 C ATOM 168 O ASP A 34 28.118 2.955 2.733 0.00 0.00 -0.249 OA BRANCH 167 169 ATOM 169 OXT ASP A 34 28.728 4.788 3.833 0.00 0.00 -0.479 OA ATOM 170 HXT ASP A 34 29.569 4.325 3.642 0.00 0.00 +0.295 HD ENDBRANCH 167 169 ENDBRANCH 166 167 BRANCH 166 171 ATOM 171 CB ASP A 34 26.111 5.066 4.845 0.00 0.00 +0.154 C BRANCH 171 172 ATOM 172 CG ASP A 34 26.518 6.512 4.906 0.00 0.00 +0.307 C ATOM 173 OD1 ASP A 34 26.825 7.242 3.979 0.00 0.00 -0.251 OA BRANCH 172 174 ATOM 174 OD2 ASP A 34 26.524 6.978 6.174 0.00 0.00 -0.481 OA ATOM 175 HD2 ASP A 34 26.785 7.914 6.086 0.00 0.00 +0.295 HD ENDBRANCH 172 174 ENDBRANCH 171 172 ENDBRANCH 166 171 ENDBRANCH 163 166 ENDBRANCH 161 162 BRANCH 161 176 ATOM 176 CB SER A 33 24.101 1.719 1.138 0.00 0.00 +0.187 C BRANCH 176 177 ATOM 177 OG SER A 33 25.344 1.090 1.471 0.00 0.00 -0.393 OA ATOM 178 H SER A 33 25.114 0.195 1.795 0.00 0.00 +0.209 HD ENDBRANCH 176 177 ENDBRANCH 161 176 ENDBRANCH 158 161 ENDBRANCH 156 157 ENDBRANCH 153 156 ENDBRANCH 151 152 BRANCH 151 179 ATOM 179 CB SER A 31 17.042 -0.815 -0.192 0.00 0.00 +0.187 C BRANCH 179 180 ATOM 180 OG SER A 31 18.321 -1.453 -0.092 0.00 0.00 -0.393 OA ATOM 181 H SER A 31 18.330 -2.149 -0.785 0.00 0.00 +0.209 HD ENDBRANCH 179 180 ENDBRANCH 151 179 ENDBRANCH 148 151 ENDBRANCH 146 147 ENDBRANCH 143 146 ENDBRANCH 50 142 BRANCH 107 182 ATOM 182 N CYS A 4 -7.245 8.090 0.435 0.00 0.00 -0.302 N ATOM 183 H CYS A 4 -8.088 7.583 0.180 0.00 0.00 +0.150 HD ATOM 184 C GLN A 3 -6.638 8.975 -0.415 0.00 0.00 +0.234 C ATOM 185 O GLN A 3 -5.640 9.620 -0.095 0.00 0.00 -0.274 OA BRANCH 184 186 ATOM 186 CA GLN A 3 -7.317 9.188 -1.800 0.00 0.00 +0.159 C BRANCH 186 187 ATOM 187 N GLN A 3 -6.488 10.196 -2.480 0.00 0.00 -0.303 N ATOM 188 H GLN A 3 -5.601 10.401 -2.020 0.00 0.00 +0.149 HD ATOM 189 C GLY A 2 -7.024 11.148 -3.312 0.00 0.00 +0.231 C ATOM 190 O GLY A 2 -8.187 11.121 -3.703 0.00 0.00 -0.274 OA BRANCH 189 191 ATOM 191 CA GLY A 2 -6.024 12.209 -3.764 0.00 0.00 +0.200 C BRANCH 191 192 ATOM 192 N GLY A 2 -6.706 13.419 -4.191 0.00 0.00 -0.306 N ATOM 193 H GLY A 2 -7.433 13.289 -4.889 0.00 0.00 +0.149 HD ATOM 194 C GLY A 1 -6.894 14.455 -3.302 0.00 0.00 +0.227 C ATOM 195 O GLY A 1 -6.394 14.497 -2.179 0.00 0.00 -0.274 OA BRANCH 194 196 ATOM 196 CA GLY A 1 -7.785 15.585 -3.833 0.00 0.00 +0.174 C BRANCH 196 197 ATOM 197 N GLY A 1 -7.582 16.816 -3.052 0.00 0.00 -0.322 NA ATOM 198 H1 GLY A 1 -7.701 16.566 -2.067 0.00 0.00 +0.119 HD ATOM 199 H2 GLY A 1 -6.593 17.071 -3.112 0.00 0.00 +0.119 HD ENDBRANCH 196 197 ENDBRANCH 194 196 ENDBRANCH 191 192 ENDBRANCH 189 191 ENDBRANCH 186 187 BRANCH 186 200 ATOM 200 CB GLN A 3 -7.422 7.912 -2.643 0.00 0.00 +0.041 C BRANCH 200 201 ATOM 201 CG GLN A 3 -8.859 7.393 -2.692 0.00 0.00 +0.098 C BRANCH 201 202 ATOM 202 CD GLN A 3 -9.030 6.240 -3.664 0.00 0.00 +0.211 C ATOM 203 OE1 GLN A 3 -8.109 5.632 -4.191 0.00 0.00 -0.276 OA ATOM 204 NE2 GLN A 3 -10.328 5.910 -3.890 0.00 0.00 -0.329 N ATOM 205 HE21 GLN A 3 -11.107 6.457 -3.536 0.00 0.00 +0.145 HD ATOM 206 HE22 GLN A 3 -10.514 5.177 -4.562 0.00 0.00 +0.145 HD ENDBRANCH 201 202 ENDBRANCH 200 201 ENDBRANCH 186 200 ENDBRANCH 184 186 ENDBRANCH 107 182 BRANCH 1 207 ATOM 207 CB ILE A 7 -12.763 1.073 1.282 0.00 0.00 +0.015 C ATOM 208 CG2 ILE A 7 -13.823 1.008 0.173 0.00 0.00 +0.010 C BRANCH 207 210 ATOM 209 CD1 ILE A 7 -14.311 -0.082 3.012 0.00 0.00 +0.004 C ATOM 210 CG1 ILE A 7 -12.972 -0.098 2.271 0.00 0.00 +0.002 C ENDBRANCH 207 210 ENDBRANCH 1 207 BRANCH 78 211 ATOM 211 CB ILE A 22 -5.356 1.573 -1.565 0.00 0.00 +0.015 C ATOM 212 CG2 ILE A 22 -5.786 1.670 -0.099 0.00 0.00 +0.010 C BRANCH 211 213 ATOM 213 CG1 ILE A 22 -6.495 1.891 -2.555 0.00 0.00 +0.002 C ATOM 214 CD1 ILE A 22 -7.466 2.980 -2.145 0.00 0.00 +0.004 C ENDBRANCH 211 213 ENDBRANCH 78 211 BRANCH 6 215 ATOM 215 CB TRP A 8 -12.023 -0.033 -3.546 0.00 0.00 +0.069 C BRANCH 215 216 ATOM 216 CG TRP A 8 -12.354 -1.441 -3.921 0.00 0.00 -0.020 A ATOM 217 CD2 TRP A 8 -13.429 -2.243 -3.414 0.00 0.00 +0.003 A ATOM 218 CE2 TRP A 8 -13.303 -3.514 -3.981 0.00 0.00 +0.047 A ATOM 219 CZ2 TRP A 8 -14.165 -4.574 -3.663 0.00 0.00 +0.026 A ATOM 220 CH2 TRP A 8 -15.183 -4.325 -2.729 0.00 0.00 +0.002 A ATOM 221 CZ3 TRP A 8 -15.345 -3.063 -2.175 0.00 0.00 +0.001 A ATOM 222 NE1 TRP A 8 -12.236 -3.470 -4.844 0.00 0.00 -0.360 N ATOM 223 HE1 TRP A 8 -11.921 -4.250 -5.405 0.00 0.00 +0.165 HD ATOM 224 CE3 TRP A 8 -14.489 -2.015 -2.516 0.00 0.00 +0.010 A ATOM 225 CD1 TRP A 8 -11.652 -2.230 -4.802 0.00 0.00 +0.087 A ENDBRANCH 215 216 ENDBRANCH 6 215 BRANCH 25 226 ATOM 226 CB ARG A 12 -3.222 -9.023 -0.450 0.00 0.00 +0.033 C BRANCH 226 227 ATOM 227 CG ARG A 12 -3.611 -10.379 -1.048 0.00 0.00 +0.023 C BRANCH 227 228 ATOM 228 CD ARG A 12 -4.855 -10.968 -0.377 0.00 0.00 +0.115 C BRANCH 228 229 ATOM 229 NE ARG A 12 -4.568 -12.272 0.219 0.00 0.00 -0.356 N ATOM 230 HE ARG A 12 -5.107 -13.025 -0.210 0.00 0.00 +0.162 HD BRANCH 229 231 ATOM 231 CZ ARG A 12 -4.180 -12.472 1.494 0.00 0.00 +0.188 C ATOM 232 NH1 ARG A 12 -4.302 -13.580 2.133 0.00 0.00 -0.269 NA ATOM 233 HH1 ARG A 12 -4.748 -14.264 1.514 0.00 0.00 +0.190 HD BRANCH 231 234 ATOM 234 NH2 ARG A 12 -3.613 -11.418 2.097 0.00 0.00 -0.370 N ATOM 235 HH21 ARG A 12 -3.308 -11.695 3.036 0.00 0.00 +0.159 HD ATOM 236 HH22 ARG A 12 -2.761 -11.173 1.603 0.00 0.00 +0.159 HD ENDBRANCH 231 234 ENDBRANCH 229 231 ENDBRANCH 228 229 ENDBRANCH 227 228 ENDBRANCH 226 227 ENDBRANCH 25 226 BRANCH 41 237 ATOM 237 CB ASP A 16 4.023 -1.859 3.836 0.00 0.00 +0.152 C BRANCH 237 238 ATOM 238 CG ASP A 16 4.434 -1.682 5.274 0.00 0.00 +0.307 C ATOM 239 OD1 ASP A 16 5.035 -2.549 5.900 0.00 0.00 -0.251 OA BRANCH 238 240 ATOM 240 OD2 ASP A 16 4.131 -0.489 5.806 0.00 0.00 -0.481 OA ATOM 241 HD2 ASP A 16 3.678 0.138 5.175 0.00 0.00 +0.295 HD ENDBRANCH 238 240 ENDBRANCH 237 238 ENDBRANCH 41 237 BRANCH 11 242 ATOM 242 CB LYS A 9 -10.233 -3.139 -1.399 0.00 0.00 +0.032 C BRANCH 242 243 ATOM 243 CG LYS A 9 -10.805 -4.168 -0.417 0.00 0.00 +0.003 C BRANCH 243 244 ATOM 244 CD LYS A 9 -11.792 -3.551 0.573 0.00 0.00 +0.015 C BRANCH 244 245 ATOM 245 CE LYS A 9 -12.301 -4.560 1.607 0.00 0.00 +0.077 C BRANCH 245 246 ATOM 246 NZ LYS A 9 -13.049 -5.659 1.014 0.00 0.00 -0.330 NA ATOM 247 HZ1 LYS A 9 -12.438 -6.266 0.460 0.00 0.00 +0.118 HD ATOM 248 HZ2 LYS A 9 -13.752 -5.295 0.363 0.00 0.00 +0.118 HD ENDBRANCH 245 246 ENDBRANCH 244 245 ENDBRANCH 243 244 ENDBRANCH 242 243 ENDBRANCH 11 242 BRANCH 37 249 ATOM 249 CB SER A 15 3.762 -3.570 0.585 0.00 0.00 +0.187 C BRANCH 249 250 ATOM 250 OG SER A 15 2.803 -4.229 -0.251 0.00 0.00 -0.393 OA ATOM 251 H SER A 15 2.612 -3.607 -0.986 0.00 0.00 +0.209 HD ENDBRANCH 249 250 ENDBRANCH 37 249 BRANCH 33 252 ATOM 252 CB ASP A 14 3.958 -7.719 0.311 0.00 0.00 +0.152 C BRANCH 252 253 ATOM 253 CG ASP A 14 3.768 -9.143 -0.141 0.00 0.00 +0.307 C ATOM 254 OD1 ASP A 14 2.693 -9.724 -0.176 0.00 0.00 -0.251 OA BRANCH 253 255 ATOM 255 OD2 ASP A 14 4.927 -9.742 -0.512 0.00 0.00 -0.481 OA ATOM 256 HD2 ASP A 14 5.683 -9.143 -0.586 0.00 0.00 +0.295 HD ENDBRANCH 253 255 ENDBRANCH 252 253 ENDBRANCH 33 252 BRANCH 29 257 ATOM 257 CB ARG A 13 0.174 -8.633 2.624 0.00 0.00 +0.033 C BRANCH 257 258 ATOM 258 CG ARG A 13 -1.010 -9.201 3.418 0.00 0.00 +0.023 C BRANCH 258 259 ATOM 259 CD ARG A 13 -0.567 -10.058 4.612 0.00 0.00 +0.115 C BRANCH 259 260 ATOM 260 NE ARG A 13 -0.124 -11.378 4.177 0.00 0.00 -0.356 N ATOM 261 HE ARG A 13 0.685 -11.327 3.559 0.00 0.00 +0.162 HD BRANCH 260 262 ATOM 262 CZ ARG A 13 -0.961 -12.302 3.654 0.00 0.00 +0.188 C ATOM 263 NH1 ARG A 13 -0.707 -12.847 2.517 0.00 0.00 -0.269 NA ATOM 264 HH1 ARG A 13 -1.468 -13.474 2.268 0.00 0.00 +0.190 HD BRANCH 262 265 ATOM 265 NH2 ARG A 13 -2.099 -12.518 4.348 0.00 0.00 -0.370 N ATOM 266 HH21 ARG A 13 -2.621 -13.342 4.056 0.00 0.00 +0.159 HD ATOM 267 HH22 ARG A 13 -1.929 -12.544 5.349 0.00 0.00 +0.159 HD ENDBRANCH 262 265 ENDBRANCH 260 262 ENDBRANCH 259 260 ENDBRANCH 258 259 ENDBRANCH 257 258 ENDBRANCH 29 257 BRANCH 62 268 ATOM 268 CB ASN A 26 6.681 0.931 -5.697 0.00 0.00 +0.127 C BRANCH 268 269 ATOM 269 CG ASN A 26 5.516 1.758 -6.188 0.00 0.00 +0.213 C ATOM 270 OD1 ASN A 26 4.491 1.288 -6.678 0.00 0.00 -0.276 OA ATOM 271 ND2 ASN A 26 5.688 3.108 -6.067 0.00 0.00 -0.329 N ATOM 272 HD21 ASN A 26 6.490 3.531 -5.620 0.00 0.00 +0.145 HD ATOM 273 HD22 ASN A 26 4.936 3.713 -6.388 0.00 0.00 +0.145 HD ENDBRANCH 268 269 ENDBRANCH 62 268 BRANCH 112 274 ATOM 274 CB PHE A 5 -10.315 6.571 4.445 0.00 0.00 +0.067 C BRANCH 274 275 ATOM 275 CG PHE A 5 -11.393 7.633 4.360 0.00 0.00 -0.045 A ATOM 276 CD2 PHE A 5 -11.110 8.969 4.675 0.00 0.00 +0.004 A ATOM 277 CE2 PHE A 5 -12.125 9.932 4.647 0.00 0.00 +0.000 A ATOM 278 CZ PHE A 5 -13.429 9.573 4.327 0.00 0.00 +0.000 A ATOM 279 CE1 PHE A 5 -13.726 8.250 4.013 0.00 0.00 +0.000 A ATOM 280 CD1 PHE A 5 -12.712 7.285 4.032 0.00 0.00 +0.004 A ENDBRANCH 274 275 ENDBRANCH 112 274 BRANCH 117 281 ATOM 281 CB ARG A 6 -11.692 2.484 4.229 0.00 0.00 +0.033 C BRANCH 281 282 ATOM 282 CG ARG A 6 -11.957 3.251 5.535 0.00 0.00 +0.023 C BRANCH 282 283 ATOM 283 CD ARG A 6 -12.922 2.497 6.454 0.00 0.00 +0.115 C BRANCH 283 284 ATOM 284 NE ARG A 6 -12.298 1.289 6.970 0.00 0.00 -0.356 N ATOM 285 HE ARG A 6 -11.399 1.494 7.422 0.00 0.00 +0.162 HD BRANCH 284 286 ATOM 286 CZ ARG A 6 -12.965 0.287 7.588 0.00 0.00 +0.188 C ATOM 287 NH1 ARG A 6 -12.440 -0.484 8.467 0.00 0.00 -0.269 NA ATOM 288 HH1 ARG A 6 -11.468 -0.215 8.626 0.00 0.00 +0.190 HD BRANCH 286 289 ATOM 289 NH2 ARG A 6 -14.235 0.083 7.216 0.00 0.00 -0.370 N ATOM 290 HH21 ARG A 6 -14.577 -0.785 7.625 0.00 0.00 +0.159 HD ATOM 291 HH22 ARG A 6 -14.361 0.059 6.209 0.00 0.00 +0.159 HD ENDBRANCH 286 289 ENDBRANCH 284 286 ENDBRANCH 283 284 ENDBRANCH 282 283 ENDBRANCH 281 282 ENDBRANCH 117 281 BRANCH 70 292 ATOM 292 CB ARG A 24 0.615 1.024 -4.038 0.00 0.00 +0.033 C BRANCH 292 293 ATOM 293 CG ARG A 24 0.619 0.193 -5.333 0.00 0.00 +0.023 C BRANCH 293 294 ATOM 294 CD ARG A 24 -0.329 0.775 -6.389 0.00 0.00 +0.115 C BRANCH 294 295 ATOM 295 NE ARG A 24 -1.711 0.599 -5.973 0.00 0.00 -0.356 N ATOM 296 HE ARG A 24 -2.261 1.452 -6.044 0.00 0.00 +0.162 HD BRANCH 295 297 ATOM 297 CZ ARG A 24 -2.406 -0.545 -6.207 0.00 0.00 +0.188 C ATOM 298 NH1 ARG A 24 -1.885 -1.654 -6.583 0.00 0.00 -0.269 NA ATOM 299 HH1 ARG A 24 -2.614 -2.369 -6.622 0.00 0.00 +0.190 HD BRANCH 297 300 ATOM 300 NH2 ARG A 24 -3.701 -0.428 -5.867 0.00 0.00 -0.370 N ATOM 301 HH21 ARG A 24 -4.130 0.496 -5.920 0.00 0.00 +0.159 HD ATOM 302 HH22 ARG A 24 -4.325 -1.141 -6.228 0.00 0.00 +0.159 HD ENDBRANCH 297 300 ENDBRANCH 295 297 ENDBRANCH 294 295 ENDBRANCH 293 294 ENDBRANCH 292 293 ENDBRANCH 70 292 BRANCH 54 303 ATOM 303 CB TYR A 28 12.648 -2.078 -4.658 0.00 0.00 +0.067 C BRANCH 303 304 ATOM 304 CG TYR A 28 14.044 -2.443 -4.222 0.00 0.00 -0.045 A ATOM 305 CD2 TYR A 28 14.261 -3.607 -3.469 0.00 0.00 +0.007 A ATOM 306 CE2 TYR A 28 15.542 -3.926 -3.017 0.00 0.00 +0.045 A ATOM 307 CZ TYR A 28 16.606 -3.094 -3.322 0.00 0.00 +0.117 A ATOM 308 CE1 TYR A 28 16.413 -1.931 -4.063 0.00 0.00 +0.045 A ATOM 309 CD1 TYR A 28 15.132 -1.604 -4.507 0.00 0.00 +0.007 A BRANCH 307 310 ATOM 310 OH TYR A 28 17.845 -3.441 -2.867 0.00 0.00 -0.507 OA ATOM 311 HH TYR A 28 18.491 -3.002 -3.450 0.00 0.00 +0.292 HD ENDBRANCH 307 310 ENDBRANCH 303 304 ENDBRANCH 54 303 BRANCH 16 312 ATOM 312 CB LYS A 10 -5.733 -4.933 0.582 0.00 0.00 +0.032 C BRANCH 312 313 ATOM 313 CG LYS A 10 -6.623 -5.904 1.386 0.00 0.00 +0.003 C BRANCH 313 314 ATOM 314 CD LYS A 10 -6.138 -6.126 2.825 0.00 0.00 +0.015 C BRANCH 314 315 ATOM 315 CE LYS A 10 -4.833 -6.922 2.920 0.00 0.00 +0.077 C BRANCH 315 316 ATOM 316 NZ LYS A 10 -4.539 -7.232 4.314 0.00 0.00 -0.330 NA ATOM 317 HZ1 LYS A 10 -5.305 -7.778 4.711 0.00 0.00 +0.118 HD ATOM 318 HZ2 LYS A 10 -3.720 -7.837 4.365 0.00 0.00 +0.118 HD ENDBRANCH 315 316 ENDBRANCH 314 315 ENDBRANCH 313 314 ENDBRANCH 312 313 ENDBRANCH 16 312 TORSDOF 84