REMARK Name = BDB058302 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ILE A 34 -1.939 0.885 3.646 0.00 0.00 +0.162 C ATOM 2 C ILE A 34 -2.236 -0.620 3.394 0.00 0.00 +0.234 C ATOM 3 O ILE A 34 -3.205 -1.015 2.749 0.00 0.00 -0.274 OA ATOM 4 N CYS A 1 -1.282 -1.436 3.942 0.00 0.00 -0.302 N ATOM 5 H CYS A 1 -0.425 -0.996 4.274 0.00 0.00 +0.150 HD ATOM 6 CA CYS A 1 -1.190 -2.912 3.944 0.00 0.00 +0.169 C ATOM 7 C CYS A 1 0.327 -3.123 4.200 0.00 0.00 +0.235 C ATOM 8 N ARG A 2 0.758 -4.379 4.530 0.00 0.00 -0.302 N ATOM 9 H ARG A 2 0.110 -5.161 4.583 0.00 0.00 +0.150 HD ATOM 10 CA ARG A 2 2.018 -4.544 5.281 0.00 0.00 +0.159 C ATOM 11 C ARG A 2 2.482 -6.003 5.137 0.00 0.00 +0.234 C ATOM 12 N GLY A 3 3.808 -6.308 5.022 0.00 0.00 -0.305 N ATOM 13 H GLY A 3 3.974 -7.310 5.057 0.00 0.00 +0.149 HD ATOM 14 CA GLY A 3 4.996 -5.464 5.140 0.00 0.00 +0.200 C ATOM 15 C GLY A 3 5.689 -5.679 6.490 0.00 0.00 +0.231 C ATOM 16 N ASN A 4 6.654 -4.805 6.897 0.00 0.00 -0.302 N ATOM 17 H ASN A 4 7.109 -5.186 7.729 0.00 0.00 +0.150 HD ATOM 18 CA ASN A 4 7.546 -3.983 6.054 0.00 0.00 +0.168 C ATOM 19 C ASN A 4 8.944 -4.632 6.177 0.00 0.00 +0.234 C ATOM 20 N GLY A 5 9.950 -4.272 5.343 0.00 0.00 -0.305 N ATOM 21 H GLY A 5 10.818 -4.763 5.525 0.00 0.00 +0.149 HD ATOM 22 CA GLY A 5 9.955 -3.311 4.248 0.00 0.00 +0.200 C ATOM 23 C GLY A 5 10.423 -4.015 2.968 0.00 0.00 +0.231 C ATOM 24 N TYR A 6 11.366 -3.443 2.165 0.00 0.00 -0.302 N ATOM 25 H TYR A 6 11.541 -3.995 1.333 0.00 0.00 +0.150 HD ATOM 26 CA TYR A 6 12.103 -2.191 2.361 0.00 0.00 +0.163 C ATOM 27 C TYR A 6 11.197 -1.038 1.896 0.00 0.00 +0.234 C ATOM 28 N CYS A 7 11.182 -0.504 0.654 0.00 0.00 -0.302 N ATOM 29 H CYS A 7 10.390 0.116 0.598 0.00 0.00 +0.150 HD ATOM 30 CA CYS A 7 11.777 -0.914 -0.623 0.00 0.00 +0.169 C ATOM 31 CB CYS A 7 11.163 -2.194 -1.228 0.00 0.00 +0.112 C ATOM 32 SG CYS A 7 9.341 -2.268 -1.102 0.00 0.00 -0.091 S ATOM 33 SG CYS A 29 8.912 -4.173 -1.740 0.00 0.00 -0.091 S ATOM 34 CB CYS A 29 8.794 -4.006 -3.552 0.00 0.00 +0.112 C ATOM 35 CA CYS A 29 7.466 -3.473 -4.118 0.00 0.00 +0.170 C ATOM 36 C CYS A 29 7.283 -1.974 -3.815 0.00 0.00 +0.237 C ATOM 37 N PRO A 30 6.356 -1.541 -2.892 0.00 0.00 -0.288 N ATOM 38 CA PRO A 30 5.649 -2.300 -1.830 0.00 0.00 +0.162 C ATOM 39 C PRO A 30 4.381 -3.007 -2.380 0.00 0.00 +0.234 C ATOM 40 N GLY A 31 3.408 -3.480 -1.536 0.00 0.00 -0.305 N ATOM 41 H GLY A 31 2.829 -4.125 -2.066 0.00 0.00 +0.149 HD ATOM 42 CA GLY A 31 2.528 -2.614 -0.747 0.00 0.00 +0.200 C ATOM 43 C GLY A 31 2.702 -2.720 0.778 0.00 0.00 +0.231 C ATOM 44 N ALA A 32 2.104 -1.807 1.602 0.00 0.00 -0.303 N ATOM 45 H ALA A 32 2.203 -2.057 2.587 0.00 0.00 +0.149 HD ATOM 46 CA ALA A 32 1.444 -0.519 1.337 0.00 0.00 +0.156 C ATOM 47 C ALA A 32 0.071 -0.697 0.646 0.00 0.00 +0.234 C ATOM 48 N CYS A 33 -0.830 0.321 0.588 0.00 0.00 -0.302 N ATOM 49 H CYS A 33 -1.696 0.038 0.132 0.00 0.00 +0.150 HD ATOM 50 CA CYS A 33 -0.714 1.740 0.959 0.00 0.00 +0.169 C ATOM 51 CB CYS A 33 -0.265 2.577 -0.258 0.00 0.00 +0.112 C ATOM 52 SG CYS A 33 0.595 4.109 0.285 0.00 0.00 -0.091 S ATOM 53 SG CYS A 16 -0.283 5.573 -0.856 0.00 0.00 -0.091 S ATOM 54 CB CYS A 16 -1.761 5.988 0.134 0.00 0.00 +0.112 C ATOM 55 CA CYS A 16 -1.999 7.503 0.160 0.00 0.00 +0.169 C ATOM 56 C CYS A 16 -3.233 7.710 1.065 0.00 0.00 +0.235 C ATOM 57 O CYS A 16 -3.158 7.588 2.289 0.00 0.00 -0.274 OA ATOM 58 N GLN A 17 -4.416 7.984 0.420 0.00 0.00 -0.302 N ATOM 59 H GLN A 17 -4.385 8.310 -0.544 0.00 0.00 +0.150 HD ATOM 60 CA GLN A 17 -5.715 8.101 1.113 0.00 0.00 +0.159 C ATOM 61 C GLN A 17 -6.794 7.708 0.074 0.00 0.00 +0.234 C ATOM 62 O GLN A 17 -7.798 8.371 -0.158 0.00 0.00 -0.274 OA ATOM 63 N ARG A 18 -6.528 6.522 -0.576 0.00 0.00 -0.302 N ATOM 64 H ARG A 18 -5.639 6.061 -0.398 0.00 0.00 +0.150 HD ATOM 65 CA ARG A 18 -7.298 6.074 -1.742 0.00 0.00 +0.159 C ATOM 66 C ARG A 18 -6.818 4.621 -1.991 0.00 0.00 +0.234 C ATOM 67 O ARG A 18 -5.714 4.240 -1.589 0.00 0.00 -0.274 OA ATOM 68 N ILE A 19 -7.564 3.739 -2.708 0.00 0.00 -0.302 N ATOM 69 H ILE A 19 -7.090 2.852 -2.843 0.00 0.00 +0.150 HD ATOM 70 CA ILE A 19 -9.010 3.755 -2.971 0.00 0.00 +0.162 C ATOM 71 C ILE A 19 -9.810 2.874 -1.971 0.00 0.00 +0.234 C ATOM 72 O ILE A 19 -11.005 3.068 -1.778 0.00 0.00 -0.274 OA ATOM 73 N LEU A 20 -9.112 1.810 -1.422 0.00 0.00 -0.302 N ATOM 74 H LEU A 20 -8.119 1.944 -1.321 0.00 0.00 +0.150 HD ATOM 75 CA LEU A 20 -9.731 0.788 -0.554 0.00 0.00 +0.159 C ATOM 76 C LEU A 20 -10.871 -0.001 -1.266 0.00 0.00 +0.234 C ATOM 77 O LEU A 20 -11.176 0.206 -2.447 0.00 0.00 -0.274 OA ATOM 78 N LYS A 21 -11.543 -1.006 -0.645 0.00 0.00 -0.302 N ATOM 79 H LYS A 21 -12.207 -1.430 -1.295 0.00 0.00 +0.150 HD ATOM 80 CA LYS A 21 -11.121 -1.933 0.412 0.00 0.00 +0.159 C ATOM 81 C LYS A 21 -11.123 -3.358 -0.188 0.00 0.00 +0.234 C ATOM 82 O LYS A 21 -11.861 -3.647 -1.130 0.00 0.00 -0.274 OA ATOM 83 N LYS A 22 -10.378 -4.351 0.375 0.00 0.00 -0.302 N ATOM 84 H LYS A 22 -10.543 -5.250 -0.081 0.00 0.00 +0.150 HD ATOM 85 CA LYS A 22 -9.105 -4.274 1.099 0.00 0.00 +0.159 C ATOM 86 C LYS A 22 -8.314 -5.558 0.749 0.00 0.00 +0.234 C ATOM 87 O LYS A 22 -8.870 -6.592 0.387 0.00 0.00 -0.274 OA ATOM 88 N CYS A 23 -6.953 -5.530 0.959 0.00 0.00 -0.302 N ATOM 89 H CYS A 23 -6.651 -6.496 1.068 0.00 0.00 +0.150 HD ATOM 90 CA CYS A 23 -6.122 -4.960 -0.120 0.00 0.00 +0.169 C ATOM 91 CB CYS A 23 -4.808 -4.329 0.388 0.00 0.00 +0.112 C ATOM 92 SG CYS A 23 -3.742 -5.484 1.330 0.00 0.00 -0.091 S ATOM 93 SG CYS A 1 -3.314 -4.458 3.058 0.00 0.00 -0.091 S ATOM 94 C CYS A 23 -5.855 -6.085 -1.145 0.00 0.00 +0.235 C ATOM 95 O CYS A 23 -5.920 -7.275 -0.836 0.00 0.00 -0.274 OA ATOM 96 N ARG A 24 -5.561 -5.676 -2.426 0.00 0.00 -0.302 N ATOM 97 H ARG A 24 -5.409 -4.703 -2.671 0.00 0.00 +0.150 HD ATOM 98 CA ARG A 24 -5.272 -6.664 -3.469 0.00 0.00 +0.159 C ATOM 99 C ARG A 24 -4.362 -5.981 -4.507 0.00 0.00 +0.234 C ATOM 100 O ARG A 24 -4.493 -4.776 -4.756 0.00 0.00 -0.274 OA ATOM 101 N ARG A 25 -3.481 -6.732 -5.238 0.00 0.00 -0.302 N ATOM 102 H ARG A 25 -2.958 -6.118 -5.865 0.00 0.00 +0.150 HD ATOM 103 CA ARG A 25 -2.705 -7.853 -4.681 0.00 0.00 +0.159 C ATOM 104 C ARG A 25 -1.390 -7.212 -4.162 0.00 0.00 +0.234 C ATOM 105 O ARG A 25 -1.407 -6.477 -3.172 0.00 0.00 -0.274 OA ATOM 106 N ASP A 26 -0.259 -7.373 -4.941 0.00 0.00 -0.302 N ATOM 107 H ASP A 26 -0.423 -7.732 -5.870 0.00 0.00 +0.150 HD ATOM 108 CA ASP A 26 0.898 -6.467 -4.845 0.00 0.00 +0.169 C ATOM 109 C ASP A 26 1.735 -6.565 -3.551 0.00 0.00 +0.235 C ATOM 110 O ASP A 26 1.234 -6.740 -2.444 0.00 0.00 -0.274 OA ATOM 111 N SER A 27 3.075 -6.301 -3.557 0.00 0.00 -0.301 N ATOM 112 H SER A 27 3.417 -6.388 -2.605 0.00 0.00 +0.150 HD ATOM 113 CA SER A 27 4.117 -6.558 -4.569 0.00 0.00 +0.184 C ATOM 114 C SER A 27 4.132 -5.644 -5.822 0.00 0.00 +0.236 C ATOM 115 O SER A 27 3.107 -5.142 -6.296 0.00 0.00 -0.274 OA ATOM 116 N ASP A 28 5.280 -5.476 -6.536 0.00 0.00 -0.302 N ATOM 117 H ASP A 28 5.157 -4.865 -7.342 0.00 0.00 +0.150 HD ATOM 118 CA ASP A 28 6.679 -5.761 -6.170 0.00 0.00 +0.169 C ATOM 119 C ASP A 28 7.439 -4.467 -6.515 0.00 0.00 +0.235 C ATOM 120 O ASP A 28 7.832 -4.243 -7.663 0.00 0.00 -0.274 OA ATOM 121 N CYS A 16 -0.902 8.244 0.812 0.00 0.00 -0.302 N ATOM 122 H CYS A 16 -0.022 7.737 0.713 0.00 0.00 +0.150 HD ATOM 123 C PHE A 15 -0.707 9.561 0.446 0.00 0.00 +0.234 C ATOM 124 CA PHE A 15 -0.371 10.489 1.626 0.00 0.00 +0.163 C ATOM 125 N PHE A 15 0.921 10.105 2.211 0.00 0.00 -0.302 N ATOM 126 H PHE A 15 0.865 9.428 2.969 0.00 0.00 +0.150 HD ATOM 127 C GLY A 14 2.205 10.286 1.808 0.00 0.00 +0.231 C ATOM 128 CA GLY A 14 2.558 11.105 0.569 0.00 0.00 +0.200 C ATOM 129 N GLY A 14 2.349 10.300 -0.620 0.00 0.00 -0.305 N ATOM 130 H GLY A 14 1.423 10.290 -1.048 0.00 0.00 +0.149 HD ATOM 131 C GLY A 13 3.218 9.400 -1.160 0.00 0.00 +0.231 C ATOM 132 CA GLY A 13 4.635 9.280 -0.573 0.00 0.00 +0.200 C ATOM 133 N GLY A 13 5.463 8.395 -1.384 0.00 0.00 -0.305 N ATOM 134 H GLY A 13 5.182 7.418 -1.392 0.00 0.00 +0.149 HD ATOM 135 C ASP A 12 6.276 8.693 -2.432 0.00 0.00 +0.234 C ATOM 136 CA ASP A 12 6.652 10.158 -2.756 0.00 0.00 +0.169 C ATOM 137 N ASP A 12 7.879 10.116 -3.586 0.00 0.00 -0.302 N ATOM 138 H ASP A 12 7.763 9.670 -4.495 0.00 0.00 +0.150 HD ATOM 139 C SER A 11 9.162 9.922 -3.157 0.00 0.00 +0.236 C ATOM 140 CA SER A 11 9.560 10.310 -1.724 0.00 0.00 +0.184 C ATOM 141 N SER A 11 10.823 9.659 -1.351 0.00 0.00 -0.301 N ATOM 142 H SER A 11 11.659 10.231 -1.311 0.00 0.00 +0.150 HD ATOM 143 C GLY A 10 11.045 8.362 -1.001 0.00 0.00 +0.231 C ATOM 144 CA GLY A 10 9.895 7.346 -1.064 0.00 0.00 +0.200 C ATOM 145 N GLY A 10 10.078 6.349 -0.014 0.00 0.00 -0.305 N ATOM 146 H GLY A 10 9.965 6.684 0.935 0.00 0.00 +0.149 HD ATOM 147 C SER A 9 10.760 5.174 -0.015 0.00 0.00 +0.236 C ATOM 148 CA SER A 9 11.172 4.436 -1.300 0.00 0.00 +0.184 C ATOM 149 N SER A 9 9.967 4.016 -2.031 0.00 0.00 -0.301 N ATOM 150 H SER A 9 9.384 4.750 -2.421 0.00 0.00 +0.150 HD ATOM 151 C GLY A 8 9.249 2.880 -1.776 0.00 0.00 +0.231 C ATOM 152 CA GLY A 8 9.947 1.680 -1.134 0.00 0.00 +0.200 C ATOM 153 N GLY A 8 11.089 1.211 -1.901 0.00 0.00 -0.305 N ATOM 154 H GLY A 8 11.370 1.795 -2.691 0.00 0.00 +0.149 HD ATOM 155 O GLY A 8 8.045 2.864 -2.037 0.00 0.00 -0.274 OA ATOM 156 O SER A 9 10.979 4.656 1.088 0.00 0.00 -0.274 OA ATOM 157 O GLY A 10 12.181 8.030 -0.660 0.00 0.00 -0.274 OA ATOM 158 O SER A 11 9.972 9.460 -3.966 0.00 0.00 -0.274 OA ATOM 159 O ASP A 12 6.713 7.758 -3.111 0.00 0.00 -0.274 OA ATOM 160 O GLY A 13 2.841 8.702 -2.102 0.00 0.00 -0.274 OA ATOM 161 O GLY A 14 3.094 9.705 2.438 0.00 0.00 -0.274 OA ATOM 162 O PHE A 15 -0.721 9.923 -0.731 0.00 0.00 -0.274 OA ATOM 163 C CYS A 33 -2.103 2.201 1.458 0.00 0.00 +0.235 C ATOM 164 O CYS A 33 -2.810 2.992 0.831 0.00 0.00 -0.274 OA ATOM 165 O ALA A 32 -0.272 -1.767 0.142 0.00 0.00 -0.274 OA ATOM 166 CB ALA A 32 2.382 0.471 0.665 0.00 0.00 +0.038 C ATOM 167 O GLY A 31 3.364 -3.622 1.302 0.00 0.00 -0.274 OA ATOM 168 O PRO A 30 4.297 -3.374 -3.561 0.00 0.00 -0.274 OA ATOM 169 CB PRO A 30 5.455 -1.233 -0.753 0.00 0.00 +0.033 C ATOM 170 CG PRO A 30 5.220 0.034 -1.561 0.00 0.00 +0.021 C ATOM 171 CD PRO A 30 6.254 -0.103 -2.654 0.00 0.00 +0.109 C ATOM 172 O CYS A 29 7.979 -1.154 -4.433 0.00 0.00 -0.274 OA ATOM 173 N CYS A 29 7.554 -3.471 -5.601 0.00 0.00 -0.302 N ATOM 174 H CYS A 29 8.019 -2.647 -5.985 0.00 0.00 +0.150 HD ATOM 175 C CYS A 7 11.927 0.160 -1.727 0.00 0.00 +0.235 C ATOM 176 O CYS A 7 12.820 0.005 -2.573 0.00 0.00 -0.274 OA ATOM 177 O TYR A 6 10.310 -0.624 2.657 0.00 0.00 -0.274 OA ATOM 178 O GLY A 5 9.966 -5.108 2.633 0.00 0.00 -0.274 OA ATOM 179 O ASN A 4 9.178 -5.456 7.066 0.00 0.00 -0.274 OA ATOM 180 O GLY A 3 5.359 -6.574 7.272 0.00 0.00 -0.274 OA ATOM 181 O ARG A 2 1.661 -6.927 5.136 0.00 0.00 -0.274 OA ATOM 182 O CYS A 1 1.104 -2.158 4.209 0.00 0.00 -0.274 OA ATOM 183 CB CYS A 1 -1.687 -3.657 2.696 0.00 0.00 +0.112 C ATOM 184 N ILE A 34 -2.592 1.730 2.643 0.00 0.00 -0.302 N ATOM 185 H ILE A 34 -3.562 1.979 2.802 0.00 0.00 +0.150 HD ENDROOT BRANCH 1 186 ATOM 186 CB ILE A 34 -2.317 1.371 5.069 0.00 0.00 +0.015 C ATOM 187 CG2 ILE A 34 -3.703 0.879 5.504 0.00 0.00 +0.010 C BRANCH 186 189 ATOM 188 CD1 ILE A 34 0.093 1.641 5.934 0.00 0.00 +0.004 C ATOM 189 CG1 ILE A 34 -1.279 1.019 6.158 0.00 0.00 +0.002 C ENDBRANCH 186 189 ENDBRANCH 1 186 BRANCH 70 190 ATOM 190 CB ILE A 19 -9.275 3.365 -4.449 0.00 0.00 +0.015 C ATOM 191 CG2 ILE A 19 -8.944 1.900 -4.763 0.00 0.00 +0.010 C BRANCH 190 192 ATOM 192 CG1 ILE A 19 -10.720 3.719 -4.864 0.00 0.00 +0.002 C ATOM 193 CD1 ILE A 19 -10.934 3.726 -6.372 0.00 0.00 +0.004 C ENDBRANCH 190 192 ENDBRANCH 70 190 BRANCH 10 194 ATOM 194 CB ARG A 2 1.716 -4.188 6.748 0.00 0.00 +0.033 C BRANCH 194 195 ATOM 195 CG ARG A 2 2.907 -4.269 7.706 0.00 0.00 +0.023 C BRANCH 195 196 ATOM 196 CD ARG A 2 2.548 -3.783 9.111 0.00 0.00 +0.115 C BRANCH 196 197 ATOM 197 NE ARG A 2 1.498 -4.625 9.658 0.00 0.00 -0.356 N ATOM 198 HE ARG A 2 1.808 -5.570 9.876 0.00 0.00 +0.162 HD BRANCH 197 199 ATOM 199 CZ ARG A 2 0.518 -4.143 10.441 0.00 0.00 +0.188 C ATOM 200 NH1 ARG A 2 0.348 -2.911 10.756 0.00 0.00 -0.269 NA ATOM 201 HH1 ARG A 2 -0.463 -2.821 11.365 0.00 0.00 +0.190 HD BRANCH 199 202 ATOM 202 NH2 ARG A 2 -0.320 -5.123 10.838 0.00 0.00 -0.370 N ATOM 203 HH21 ARG A 2 -0.424 -5.848 10.134 0.00 0.00 +0.159 HD ATOM 204 HH22 ARG A 2 -1.228 -4.788 11.129 0.00 0.00 +0.159 HD ENDBRANCH 199 202 ENDBRANCH 197 199 ENDBRANCH 196 197 ENDBRANCH 195 196 ENDBRANCH 194 195 ENDBRANCH 10 194 BRANCH 65 205 ATOM 205 CB ARG A 18 -6.960 6.984 -2.941 0.00 0.00 +0.033 C BRANCH 205 206 ATOM 206 CG ARG A 18 -8.011 7.074 -4.048 0.00 0.00 +0.023 C BRANCH 206 207 ATOM 207 CD ARG A 18 -9.305 7.764 -3.617 0.00 0.00 +0.115 C BRANCH 207 208 ATOM 208 NE ARG A 18 -10.241 7.740 -4.735 0.00 0.00 -0.356 N ATOM 209 HE ARG A 18 -9.861 8.156 -5.577 0.00 0.00 +0.162 HD BRANCH 208 210 ATOM 210 CZ ARG A 18 -11.537 8.078 -4.548 0.00 0.00 +0.188 C ATOM 211 NH1 ARG A 18 -12.062 8.363 -3.416 0.00 0.00 -0.269 NA ATOM 212 HH1 ARG A 18 -13.049 8.589 -3.543 0.00 0.00 +0.190 HD BRANCH 210 213 ATOM 213 NH2 ARG A 18 -12.228 8.037 -5.699 0.00 0.00 -0.370 N ATOM 214 HH21 ARG A 18 -11.914 7.289 -6.309 0.00 0.00 +0.159 HD ATOM 215 HH22 ARG A 18 -13.229 7.984 -5.571 0.00 0.00 +0.159 HD ENDBRANCH 210 213 ENDBRANCH 208 210 ENDBRANCH 207 208 ENDBRANCH 206 207 ENDBRANCH 205 206 ENDBRANCH 65 205 BRANCH 18 216 ATOM 216 CB ASN A 4 7.508 -2.522 6.507 0.00 0.00 +0.127 C BRANCH 216 217 ATOM 217 CG ASN A 4 8.627 -2.136 7.444 0.00 0.00 +0.213 C ATOM 218 OD1 ASN A 4 9.624 -1.520 7.076 0.00 0.00 -0.276 OA ATOM 219 ND2 ASN A 4 8.477 -2.519 8.739 0.00 0.00 -0.329 N ATOM 220 HD21 ASN A 4 9.277 -2.357 9.345 0.00 0.00 +0.145 HD ATOM 221 HD22 ASN A 4 7.883 -3.292 8.999 0.00 0.00 +0.145 HD ENDBRANCH 216 217 ENDBRANCH 18 216 BRANCH 26 222 ATOM 222 CB TYR A 6 13.524 -2.249 1.795 0.00 0.00 +0.067 C BRANCH 222 223 ATOM 223 CG TYR A 6 14.442 -3.065 2.680 0.00 0.00 -0.045 A ATOM 224 CD2 TYR A 6 14.497 -4.464 2.559 0.00 0.00 +0.007 A ATOM 225 CE2 TYR A 6 15.300 -5.222 3.409 0.00 0.00 +0.045 A ATOM 226 CZ TYR A 6 16.055 -4.582 4.387 0.00 0.00 +0.117 A ATOM 227 CE1 TYR A 6 16.023 -3.198 4.518 0.00 0.00 +0.045 A ATOM 228 CD1 TYR A 6 15.213 -2.441 3.669 0.00 0.00 +0.007 A BRANCH 226 229 ATOM 229 OH TYR A 6 16.842 -5.287 5.249 0.00 0.00 -0.507 OA ATOM 230 HH TYR A 6 16.841 -6.216 4.983 0.00 0.00 +0.292 HD ENDBRANCH 226 229 ENDBRANCH 222 223 ENDBRANCH 26 222 BRANCH 124 231 ATOM 231 CB PHE A 15 -0.515 11.977 1.278 0.00 0.00 +0.067 C BRANCH 231 232 ATOM 232 CG PHE A 15 -1.957 12.440 1.260 0.00 0.00 -0.045 A ATOM 233 CD2 PHE A 15 -2.721 12.345 0.089 0.00 0.00 +0.004 A ATOM 234 CE2 PHE A 15 -4.048 12.762 0.077 0.00 0.00 +0.000 A ATOM 235 CZ PHE A 15 -4.628 13.284 1.232 0.00 0.00 +0.000 A ATOM 236 CE1 PHE A 15 -3.878 13.381 2.402 0.00 0.00 +0.000 A ATOM 237 CD1 PHE A 15 -2.548 12.956 2.421 0.00 0.00 +0.004 A ENDBRANCH 231 232 ENDBRANCH 124 231 BRANCH 60 238 ATOM 238 CB GLN A 17 -5.988 9.502 1.680 0.00 0.00 +0.041 C BRANCH 238 239 ATOM 239 CG GLN A 17 -5.157 9.880 2.906 0.00 0.00 +0.098 C BRANCH 239 240 ATOM 240 CD GLN A 17 -5.396 8.935 4.061 0.00 0.00 +0.211 C ATOM 241 OE1 GLN A 17 -6.505 8.647 4.501 0.00 0.00 -0.276 OA ATOM 242 NE2 GLN A 17 -4.267 8.386 4.600 0.00 0.00 -0.329 N ATOM 243 HE21 GLN A 17 -4.463 7.627 5.237 0.00 0.00 +0.145 HD ATOM 244 HE22 GLN A 17 -3.533 8.166 3.925 0.00 0.00 +0.145 HD ENDBRANCH 239 240 ENDBRANCH 238 239 ENDBRANCH 60 238 BRANCH 136 245 ATOM 245 CB ASP A 12 5.521 10.827 -3.542 0.00 0.00 +0.152 C BRANCH 245 246 ATOM 246 CG ASP A 12 5.123 12.133 -2.921 0.00 0.00 +0.307 C ATOM 247 OD1 ASP A 12 5.100 12.392 -1.729 0.00 0.00 -0.251 OA BRANCH 246 248 ATOM 248 OD2 ASP A 12 4.715 13.036 -3.830 0.00 0.00 -0.481 OA ATOM 249 HD2 ASP A 12 4.472 13.836 -3.320 0.00 0.00 +0.295 HD ENDBRANCH 246 248 ENDBRANCH 245 246 ENDBRANCH 136 245 BRANCH 75 250 ATOM 250 CB LEU A 20 -9.945 1.260 0.895 0.00 0.00 +0.034 C BRANCH 250 251 ATOM 251 CG LEU A 20 -10.922 2.413 1.204 0.00 0.00 -0.015 C ATOM 252 CD2 LEU A 20 -12.378 2.094 0.869 0.00 0.00 +0.007 C ATOM 253 CD1 LEU A 20 -10.819 2.772 2.693 0.00 0.00 +0.007 C ENDBRANCH 250 251 ENDBRANCH 75 250 BRANCH 80 254 ATOM 254 CB LYS A 21 -12.096 -1.868 1.604 0.00 0.00 +0.032 C BRANCH 254 255 ATOM 255 CG LYS A 21 -13.555 -2.212 1.258 0.00 0.00 +0.003 C BRANCH 255 256 ATOM 256 CD LYS A 21 -14.588 -1.801 2.320 0.00 0.00 +0.015 C BRANCH 256 257 ATOM 257 CE LYS A 21 -14.421 -2.450 3.694 0.00 0.00 +0.077 C BRANCH 257 258 ATOM 258 NZ LYS A 21 -13.326 -1.847 4.450 0.00 0.00 -0.330 NA ATOM 259 HZ1 LYS A 21 -13.280 -2.283 5.373 0.00 0.00 +0.118 HD ATOM 260 HZ2 LYS A 21 -13.535 -0.865 4.618 0.00 0.00 +0.118 HD ENDBRANCH 257 258 ENDBRANCH 256 257 ENDBRANCH 255 256 ENDBRANCH 254 255 ENDBRANCH 80 254 BRANCH 108 261 ATOM 261 CB ASP A 26 0.506 -5.002 -5.062 0.00 0.00 +0.152 C BRANCH 261 262 ATOM 262 CG ASP A 26 -0.062 -4.837 -6.441 0.00 0.00 +0.307 C ATOM 263 OD1 ASP A 26 -1.255 -4.979 -6.695 0.00 0.00 -0.251 OA BRANCH 262 264 ATOM 264 OD2 ASP A 26 0.861 -4.588 -7.395 0.00 0.00 -0.481 OA ATOM 265 HD2 ASP A 26 1.790 -4.571 -7.040 0.00 0.00 +0.295 HD ENDBRANCH 262 264 ENDBRANCH 261 262 ENDBRANCH 108 261 BRANCH 103 266 ATOM 266 CB ARG A 25 -2.603 -8.992 -5.698 0.00 0.00 +0.033 C BRANCH 266 267 ATOM 267 CG ARG A 25 -1.941 -10.248 -5.118 0.00 0.00 +0.023 C BRANCH 267 268 ATOM 268 CD ARG A 25 -2.207 -11.470 -5.998 0.00 0.00 +0.115 C BRANCH 268 269 ATOM 269 NE ARG A 25 -1.544 -12.647 -5.452 0.00 0.00 -0.356 N ATOM 270 HE ARG A 25 -1.495 -12.629 -4.433 0.00 0.00 +0.162 HD BRANCH 269 271 ATOM 271 CZ ARG A 25 -0.384 -13.139 -5.934 0.00 0.00 +0.188 C ATOM 272 NH1 ARG A 25 0.544 -13.516 -5.136 0.00 0.00 -0.269 NA ATOM 273 HH1 ARG A 25 1.342 -13.855 -5.672 0.00 0.00 +0.190 HD BRANCH 271 274 ATOM 274 NH2 ARG A 25 -0.303 -13.236 -7.276 0.00 0.00 -0.370 N ATOM 275 HH21 ARG A 25 0.387 -13.902 -7.601 0.00 0.00 +0.159 HD ATOM 276 HH22 ARG A 25 -1.207 -13.427 -7.692 0.00 0.00 +0.159 HD ENDBRANCH 271 274 ENDBRANCH 269 271 ENDBRANCH 268 269 ENDBRANCH 267 268 ENDBRANCH 266 267 ENDBRANCH 103 266 BRANCH 98 277 ATOM 277 CB ARG A 24 -6.574 -7.137 -4.150 0.00 0.00 +0.033 C BRANCH 277 278 ATOM 278 CG ARG A 24 -6.662 -8.644 -4.421 0.00 0.00 +0.023 C BRANCH 278 279 ATOM 279 CD ARG A 24 -6.932 -9.488 -3.175 0.00 0.00 +0.115 C BRANCH 279 280 ATOM 280 NE ARG A 24 -5.707 -9.695 -2.434 0.00 0.00 -0.356 N ATOM 281 HE ARG A 24 -5.633 -9.091 -1.611 0.00 0.00 +0.162 HD BRANCH 280 282 ATOM 282 CZ ARG A 24 -4.906 -10.774 -2.481 0.00 0.00 +0.188 C ATOM 283 NH1 ARG A 24 -3.929 -10.979 -1.670 0.00 0.00 -0.269 NA ATOM 284 HH1 ARG A 24 -3.895 -10.210 -0.997 0.00 0.00 +0.190 HD BRANCH 282 285 ATOM 285 NH2 ARG A 24 -5.133 -11.680 -3.446 0.00 0.00 -0.370 N ATOM 286 HH21 ARG A 24 -5.276 -11.301 -4.368 0.00 0.00 +0.159 HD ATOM 287 HH22 ARG A 24 -4.425 -12.410 -3.429 0.00 0.00 +0.159 HD ENDBRANCH 282 285 ENDBRANCH 280 282 ENDBRANCH 279 280 ENDBRANCH 278 279 ENDBRANCH 277 278 ENDBRANCH 98 277 BRANCH 140 288 ATOM 288 CB SER A 11 9.699 11.838 -1.652 0.00 0.00 +0.187 C BRANCH 288 289 ATOM 289 OG SER A 11 9.839 12.248 -0.292 0.00 0.00 -0.393 OA ATOM 290 H SER A 11 10.062 13.196 -0.301 0.00 0.00 +0.209 HD ENDBRANCH 288 289 ENDBRANCH 140 288 BRANCH 85 291 ATOM 291 CB LYS A 22 -9.270 -4.177 2.627 0.00 0.00 +0.032 C BRANCH 291 292 ATOM 292 CG LYS A 22 -10.115 -5.316 3.227 0.00 0.00 +0.003 C BRANCH 292 293 ATOM 293 CD LYS A 22 -10.075 -5.382 4.757 0.00 0.00 +0.015 C BRANCH 293 294 ATOM 294 CE LYS A 22 -10.737 -4.181 5.430 0.00 0.00 +0.077 C BRANCH 294 295 ATOM 295 NZ LYS A 22 -10.790 -4.354 6.877 0.00 0.00 -0.330 NA ATOM 296 HZ1 LYS A 22 -11.346 -5.182 7.097 0.00 0.00 +0.118 HD ATOM 297 HZ2 LYS A 22 -9.857 -4.543 7.237 0.00 0.00 +0.118 HD ENDBRANCH 294 295 ENDBRANCH 293 294 ENDBRANCH 292 293 ENDBRANCH 291 292 ENDBRANCH 85 291 BRANCH 113 298 ATOM 298 CB SER A 27 4.165 -8.040 -4.987 0.00 0.00 +0.187 C BRANCH 298 299 ATOM 299 OG SER A 27 5.499 -8.539 -4.873 0.00 0.00 -0.393 OA ATOM 300 H SER A 27 5.451 -9.501 -5.035 0.00 0.00 +0.209 HD ENDBRANCH 298 299 ENDBRANCH 113 298 BRANCH 118 301 ATOM 301 CB ASP A 28 7.220 -6.905 -7.035 0.00 0.00 +0.152 C BRANCH 301 302 ATOM 302 CG ASP A 28 8.586 -7.303 -6.567 0.00 0.00 +0.307 C ATOM 303 OD1 ASP A 28 9.155 -6.928 -5.558 0.00 0.00 -0.251 OA BRANCH 302 304 ATOM 304 OD2 ASP A 28 9.172 -8.182 -7.403 0.00 0.00 -0.481 OA ATOM 305 HD2 ASP A 28 10.056 -8.345 -7.014 0.00 0.00 +0.295 HD ENDBRANCH 302 304 ENDBRANCH 301 302 ENDBRANCH 118 301 BRANCH 148 306 ATOM 306 CB SER A 9 12.169 5.192 -2.177 0.00 0.00 +0.187 C BRANCH 306 307 ATOM 307 OG SER A 9 12.776 4.271 -3.091 0.00 0.00 -0.393 OA ATOM 308 H SER A 9 13.367 4.791 -3.663 0.00 0.00 +0.209 HD ENDBRANCH 306 307 ENDBRANCH 148 306 TORSDOF 65