REMARK Name = BDB059698 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ILE A 7 -12.928 -0.113 -0.702 0.00 0.00 +0.162 C ATOM 2 C ILE A 7 -11.948 -0.571 -1.817 0.00 0.00 +0.234 C ATOM 3 O ILE A 7 -11.595 0.194 -2.715 0.00 0.00 -0.274 OA ATOM 4 N TRP A 8 -11.382 -1.817 -1.803 0.00 0.00 -0.302 N ATOM 5 H TRP A 8 -10.690 -1.941 -2.530 0.00 0.00 +0.150 HD ATOM 6 CA TRP A 8 -11.738 -3.035 -1.050 0.00 0.00 +0.163 C ATOM 7 C TRP A 8 -10.445 -3.797 -0.625 0.00 0.00 +0.234 C ATOM 8 O TRP A 8 -9.422 -3.191 -0.296 0.00 0.00 -0.274 OA ATOM 9 N LYS A 9 -10.552 -5.161 -0.482 0.00 0.00 -0.302 N ATOM 10 H LYS A 9 -11.251 -5.656 -1.022 0.00 0.00 +0.150 HD ATOM 11 CA LYS A 9 -9.497 -6.017 0.051 0.00 0.00 +0.159 C ATOM 12 C LYS A 9 -8.475 -6.369 -1.049 0.00 0.00 +0.234 C ATOM 13 O LYS A 9 -8.760 -6.303 -2.249 0.00 0.00 -0.274 OA ATOM 14 N LYS A 10 -7.243 -6.860 -0.709 0.00 0.00 -0.302 N ATOM 15 H LYS A 10 -6.732 -7.212 -1.515 0.00 0.00 +0.150 HD ATOM 16 CA LYS A 10 -6.604 -6.935 0.604 0.00 0.00 +0.159 C ATOM 17 C LYS A 10 -5.270 -6.177 0.845 0.00 0.00 +0.234 C ATOM 18 O LYS A 10 -4.874 -6.012 2.007 0.00 0.00 -0.274 OA ATOM 19 N CYS A 11 -4.412 -5.756 -0.112 0.00 0.00 -0.302 N ATOM 20 H CYS A 11 -3.657 -5.222 0.298 0.00 0.00 +0.150 HD ATOM 21 CA CYS A 11 -4.480 -5.758 -1.579 0.00 0.00 +0.169 C ATOM 22 C CYS A 11 -3.969 -7.091 -2.158 0.00 0.00 +0.235 C ATOM 23 N ARG A 12 -2.760 -7.636 -1.834 0.00 0.00 -0.302 N ATOM 24 H ARG A 12 -2.604 -8.524 -2.301 0.00 0.00 +0.150 HD ATOM 25 CA ARG A 12 -1.821 -7.301 -0.760 0.00 0.00 +0.159 C ATOM 26 C ARG A 12 -0.338 -7.454 -1.142 0.00 0.00 +0.234 C ATOM 27 N ARG A 13 -0.072 -8.411 -2.111 0.00 0.00 -0.302 N ATOM 28 H ARG A 13 -0.563 -8.337 -3.000 0.00 0.00 +0.150 HD ATOM 29 CA ARG A 13 1.199 -9.124 -2.076 0.00 0.00 +0.159 C ATOM 30 C ARG A 13 2.263 -8.489 -2.982 0.00 0.00 +0.234 C ATOM 31 N ASP A 14 3.534 -8.417 -2.454 0.00 0.00 -0.302 N ATOM 32 H ASP A 14 4.197 -8.223 -3.200 0.00 0.00 +0.150 HD ATOM 33 CA ASP A 14 3.765 -7.483 -1.322 0.00 0.00 +0.169 C ATOM 34 C ASP A 14 4.622 -6.309 -1.856 0.00 0.00 +0.235 C ATOM 35 N SER A 15 4.456 -6.075 -3.209 0.00 0.00 -0.301 N ATOM 36 H SER A 15 3.509 -6.181 -3.570 0.00 0.00 +0.150 HD ATOM 37 CA SER A 15 5.316 -5.138 -3.938 0.00 0.00 +0.184 C ATOM 38 C SER A 15 4.768 -3.712 -3.794 0.00 0.00 +0.236 C ATOM 39 N ASP A 16 5.647 -2.666 -3.731 0.00 0.00 -0.302 N ATOM 40 H ASP A 16 5.113 -1.823 -3.950 0.00 0.00 +0.150 HD ATOM 41 CA ASP A 16 6.485 -2.418 -2.544 0.00 0.00 +0.169 C ATOM 42 C ASP A 16 7.064 -0.998 -2.694 0.00 0.00 +0.235 C ATOM 43 N CYS A 17 6.422 -0.012 -1.966 0.00 0.00 -0.302 N ATOM 44 H CYS A 17 5.470 -0.221 -1.638 0.00 0.00 +0.150 HD ATOM 45 CA CYS A 17 6.709 1.428 -2.150 0.00 0.00 +0.170 C ATOM 46 CB CYS A 17 8.214 1.703 -2.319 0.00 0.00 +0.112 C ATOM 47 SG CYS A 17 8.835 3.264 -1.598 0.00 0.00 -0.091 S ATOM 48 SG CYS A 29 10.882 2.973 -1.650 0.00 0.00 -0.091 S ATOM 49 CB CYS A 29 11.307 2.439 0.053 0.00 0.00 +0.112 C ATOM 50 CA CYS A 29 11.733 0.970 0.227 0.00 0.00 +0.169 C ATOM 51 N CYS A 29 10.616 0.042 0.047 0.00 0.00 -0.302 N ATOM 52 H CYS A 29 10.207 0.007 -0.882 0.00 0.00 +0.150 HD ATOM 53 C TYR A 28 10.175 -0.967 0.856 0.00 0.00 +0.234 C ATOM 54 CA TYR A 28 10.995 -1.371 2.097 0.00 0.00 +0.163 C ATOM 55 N TYR A 28 10.163 -1.976 3.155 0.00 0.00 -0.302 N ATOM 56 H TYR A 28 10.572 -2.747 3.659 0.00 0.00 +0.150 HD ATOM 57 C GLY A 27 9.288 -1.306 3.975 0.00 0.00 +0.231 C ATOM 58 CA GLY A 27 8.631 -0.035 3.444 0.00 0.00 +0.200 C ATOM 59 N GLY A 27 7.892 0.681 4.467 0.00 0.00 -0.305 N ATOM 60 H GLY A 27 8.144 0.488 5.435 0.00 0.00 +0.149 HD ATOM 61 C ASN A 26 6.999 1.702 4.308 0.00 0.00 +0.234 C ATOM 62 CA ASN A 26 6.523 2.066 2.879 0.00 0.00 +0.168 C ATOM 63 N ASN A 26 5.444 3.064 2.963 0.00 0.00 -0.302 N ATOM 64 H ASN A 26 5.667 3.890 3.510 0.00 0.00 +0.150 HD ATOM 65 C GLY A 25 4.093 2.880 2.883 0.00 0.00 +0.231 C ATOM 66 CA GLY A 25 3.524 1.536 2.455 0.00 0.00 +0.200 C ATOM 67 N GLY A 25 3.917 1.131 1.111 0.00 0.00 -0.305 N ATOM 68 H GLY A 25 4.766 1.520 0.727 0.00 0.00 +0.149 HD ATOM 69 C ARG A 24 3.390 0.107 0.362 0.00 0.00 +0.234 C ATOM 70 CA ARG A 24 2.039 -0.522 0.778 0.00 0.00 +0.159 C ATOM 71 N ARG A 24 1.490 -1.333 -0.313 0.00 0.00 -0.302 N ATOM 72 H ARG A 24 2.172 -1.731 -0.952 0.00 0.00 +0.150 HD ATOM 73 C CYS A 23 0.278 -1.970 -0.363 0.00 0.00 +0.235 C ATOM 74 CA CYS A 23 -0.895 -1.560 0.569 0.00 0.00 +0.169 C ATOM 75 N CYS A 23 -0.993 -0.212 1.134 0.00 0.00 -0.302 N ATOM 76 H CYS A 23 -0.812 -0.128 2.130 0.00 0.00 +0.150 HD ATOM 77 C ILE A 22 -1.391 0.926 0.468 0.00 0.00 +0.234 C ATOM 78 CA ILE A 22 -1.856 2.066 1.417 0.00 0.00 +0.162 C ATOM 79 N ILE A 22 -1.901 3.313 0.653 0.00 0.00 -0.302 N ATOM 80 H ILE A 22 -2.375 3.238 -0.246 0.00 0.00 +0.150 HD ATOM 81 C CYS A 21 -0.945 4.308 0.772 0.00 0.00 +0.235 C ATOM 82 CA CYS A 21 -1.306 5.611 0.018 0.00 0.00 +0.169 C ATOM 83 N CYS A 21 -0.164 6.453 -0.420 0.00 0.00 -0.302 N ATOM 84 H CYS A 21 -0.580 7.152 -1.028 0.00 0.00 +0.150 HD ATOM 85 C ALA A 20 0.546 7.181 0.516 0.00 0.00 +0.234 C ATOM 86 CA ALA A 20 1.892 6.605 0.993 0.00 0.00 +0.156 C ATOM 87 N ALA A 20 2.940 7.280 0.208 0.00 0.00 -0.303 N ATOM 88 H ALA A 20 2.752 8.250 -0.016 0.00 0.00 +0.149 HD ATOM 89 C GLY A 19 4.252 6.950 0.054 0.00 0.00 +0.231 C ATOM 90 CA GLY A 19 4.768 5.564 0.465 0.00 0.00 +0.200 C ATOM 91 N GLY A 19 4.031 4.440 -0.082 0.00 0.00 -0.305 N ATOM 92 H GLY A 19 3.265 4.073 0.474 0.00 0.00 +0.149 HD ATOM 93 C PRO A 18 4.178 3.785 -1.269 0.00 0.00 +0.234 C ATOM 94 CA PRO A 18 5.300 4.179 -2.259 0.00 0.00 +0.162 C ATOM 95 N PRO A 18 5.397 3.210 -3.364 0.00 0.00 -0.288 N ATOM 96 CD PRO A 18 4.713 3.706 -4.549 0.00 0.00 +0.109 C ATOM 97 CG PRO A 18 4.123 5.045 -4.151 0.00 0.00 +0.021 C ATOM 98 CB PRO A 18 4.984 5.485 -2.976 0.00 0.00 +0.033 C ATOM 99 O PRO A 18 3.412 2.844 -1.488 0.00 0.00 -0.274 OA ATOM 100 O GLY A 19 5.041 7.775 -0.401 0.00 0.00 -0.274 OA ATOM 101 CB ALA A 20 2.078 6.912 2.475 0.00 0.00 +0.038 C ATOM 102 O ALA A 20 0.184 8.330 0.788 0.00 0.00 -0.274 OA ATOM 103 CB CYS A 21 -2.327 6.356 0.906 0.00 0.00 +0.112 C ATOM 104 SG CYS A 21 -3.328 7.612 0.024 0.00 0.00 -0.091 S ATOM 105 SG CYS A 4 -4.858 6.507 -0.805 0.00 0.00 -0.091 S ATOM 106 CB CYS A 4 -5.841 6.042 0.678 0.00 0.00 +0.112 C ATOM 107 CA CYS A 4 -7.282 5.540 0.398 0.00 0.00 +0.169 C ATOM 108 C CYS A 4 -7.270 4.240 -0.463 0.00 0.00 +0.235 C ATOM 109 O CYS A 4 -6.244 3.559 -0.588 0.00 0.00 -0.274 OA ATOM 110 N PHE A 5 -8.413 3.656 -0.955 0.00 0.00 -0.302 N ATOM 111 H PHE A 5 -8.138 2.828 -1.467 0.00 0.00 +0.150 HD ATOM 112 CA PHE A 5 -9.557 4.365 -1.544 0.00 0.00 +0.163 C ATOM 113 C PHE A 5 -10.557 4.850 -0.476 0.00 0.00 +0.234 C ATOM 114 O PHE A 5 -10.944 6.024 -0.482 0.00 0.00 -0.274 OA ATOM 115 N ARG A 6 -11.083 4.028 0.475 0.00 0.00 -0.302 N ATOM 116 H ARG A 6 -11.815 4.565 0.940 0.00 0.00 +0.150 HD ATOM 117 CA ARG A 6 -11.399 2.589 0.371 0.00 0.00 +0.159 C ATOM 118 C ARG A 6 -12.722 2.481 -0.432 0.00 0.00 +0.234 C ATOM 119 O ARG A 6 -13.379 3.494 -0.703 0.00 0.00 -0.274 OA ATOM 120 O CYS A 21 0.018 4.213 1.530 0.00 0.00 -0.274 OA ATOM 121 O ILE A 22 -1.461 1.018 -0.754 0.00 0.00 -0.274 OA ATOM 122 CB CYS A 23 -2.244 -2.180 0.137 0.00 0.00 +0.112 C ATOM 123 SG CYS A 23 -2.863 -1.735 -1.515 0.00 0.00 -0.091 S ATOM 124 SG CYS A 11 -4.479 -2.994 -1.705 0.00 0.00 -0.091 S ATOM 125 O CYS A 23 0.214 -3.039 -0.976 0.00 0.00 -0.274 OA ATOM 126 O ARG A 24 4.041 -0.296 -0.606 0.00 0.00 -0.274 OA ATOM 127 O GLY A 25 3.364 3.844 3.140 0.00 0.00 -0.274 OA ATOM 128 O ASN A 26 6.539 2.270 5.298 0.00 0.00 -0.274 OA ATOM 129 O GLY A 27 9.040 -1.768 5.085 0.00 0.00 -0.274 OA ATOM 130 O TYR A 28 9.120 -1.528 0.555 0.00 0.00 -0.274 OA ATOM 131 C CYS A 17 5.909 1.928 -3.371 0.00 0.00 +0.237 C ATOM 132 O CYS A 17 5.754 1.204 -4.360 0.00 0.00 -0.274 OA ATOM 133 O ASP A 16 8.002 -0.756 -3.454 0.00 0.00 -0.274 OA ATOM 134 O SER A 15 3.557 -3.489 -3.869 0.00 0.00 -0.274 OA ATOM 135 O ASP A 14 5.325 -5.606 -1.131 0.00 0.00 -0.274 OA ATOM 136 O ARG A 13 2.059 -8.144 -4.142 0.00 0.00 -0.274 OA ATOM 137 O ARG A 12 0.547 -6.980 -0.437 0.00 0.00 -0.274 OA ATOM 138 O CYS A 11 -4.632 -7.678 -3.018 0.00 0.00 -0.274 OA ATOM 139 CB CYS A 11 -3.707 -4.582 -2.204 0.00 0.00 +0.112 C ATOM 140 N ILE A 7 -13.258 1.316 -0.854 0.00 0.00 -0.302 N ATOM 141 H ILE A 7 -13.950 1.533 -1.566 0.00 0.00 +0.150 HD ENDROOT BRANCH 107 142 ATOM 142 N CYS A 4 -8.152 6.644 0.008 0.00 0.00 -0.302 N ATOM 143 H CYS A 4 -8.267 6.822 -0.989 0.00 0.00 +0.150 HD ATOM 144 C GLN A 3 -8.471 7.627 0.918 0.00 0.00 +0.234 C ATOM 145 O GLN A 3 -8.072 7.549 2.087 0.00 0.00 -0.274 OA BRANCH 144 146 ATOM 146 CA GLN A 3 -9.325 8.835 0.457 0.00 0.00 +0.159 C BRANCH 146 147 ATOM 147 N GLN A 3 -8.714 10.026 1.070 0.00 0.00 -0.303 N ATOM 148 H GLN A 3 -7.760 10.230 0.807 0.00 0.00 +0.149 HD ATOM 149 C GLY A 2 -9.218 10.643 2.194 0.00 0.00 +0.231 C ATOM 150 O GLY A 2 -10.329 10.425 2.666 0.00 0.00 -0.274 OA BRANCH 149 151 ATOM 151 CA GLY A 2 -8.232 11.648 2.811 0.00 0.00 +0.200 C BRANCH 151 152 ATOM 152 N GLY A 2 -8.683 13.019 2.841 0.00 0.00 -0.305 N ATOM 153 H GLY A 2 -8.460 13.551 3.676 0.00 0.00 +0.149 HD ATOM 154 C LYS A 1 -8.847 13.723 1.657 0.00 0.00 +0.230 C ATOM 155 O LYS A 1 -8.967 13.200 0.556 0.00 0.00 -0.274 OA BRANCH 154 156 ATOM 156 CA LYS A 1 -8.846 15.259 1.863 0.00 0.00 +0.138 C BRANCH 156 157 ATOM 157 N LYS A 1 -7.450 15.676 2.124 0.00 0.00 -0.320 NA ATOM 158 H1 LYS A 1 -7.020 15.069 2.820 0.00 0.00 +0.119 HD ATOM 159 H2 LYS A 1 -6.908 15.531 1.270 0.00 0.00 +0.119 HD ENDBRANCH 156 157 BRANCH 156 160 ATOM 160 CB LYS A 1 -9.365 16.016 0.633 0.00 0.00 +0.028 C BRANCH 160 161 ATOM 161 CG LYS A 1 -10.881 15.865 0.461 0.00 0.00 +0.003 C BRANCH 161 162 ATOM 162 CD LYS A 1 -11.401 16.380 -0.889 0.00 0.00 +0.015 C BRANCH 162 163 ATOM 163 CE LYS A 1 -11.078 17.843 -1.208 0.00 0.00 +0.077 C BRANCH 163 164 ATOM 164 NZ LYS A 1 -11.629 18.774 -0.231 0.00 0.00 -0.330 NA ATOM 165 HZ1 LYS A 1 -11.204 18.606 0.680 0.00 0.00 +0.118 HD ATOM 166 HZ2 LYS A 1 -12.623 18.594 -0.116 0.00 0.00 +0.118 HD ENDBRANCH 163 164 ENDBRANCH 162 163 ENDBRANCH 161 162 ENDBRANCH 160 161 ENDBRANCH 156 160 ENDBRANCH 154 156 ENDBRANCH 151 152 ENDBRANCH 149 151 ENDBRANCH 146 147 BRANCH 146 167 ATOM 167 CB GLN A 3 -9.549 9.086 -1.038 0.00 0.00 +0.041 C BRANCH 167 168 ATOM 168 CG GLN A 3 -8.309 9.494 -1.844 0.00 0.00 +0.098 C BRANCH 168 169 ATOM 169 CD GLN A 3 -7.971 8.460 -2.884 0.00 0.00 +0.211 C ATOM 170 OE1 GLN A 3 -8.030 7.255 -2.664 0.00 0.00 -0.276 OA ATOM 171 NE2 GLN A 3 -7.540 8.940 -4.084 0.00 0.00 -0.329 N ATOM 172 HE21 GLN A 3 -7.314 8.263 -4.793 0.00 0.00 +0.145 HD ATOM 173 HE22 GLN A 3 -7.567 9.924 -4.323 0.00 0.00 +0.145 HD ENDBRANCH 168 169 ENDBRANCH 167 168 ENDBRANCH 146 167 ENDBRANCH 144 146 ENDBRANCH 107 142 BRANCH 50 174 ATOM 174 C CYS A 29 12.946 0.602 -0.647 0.00 0.00 +0.235 C ATOM 175 N GLY A 30 14.098 1.234 -0.253 0.00 0.00 -0.305 N ATOM 176 H GLY A 30 14.113 1.870 0.541 0.00 0.00 +0.149 HD ATOM 177 O CYS A 29 12.902 -0.190 -1.581 0.00 0.00 -0.274 OA BRANCH 175 178 ATOM 178 CA GLY A 30 15.375 1.054 -0.915 0.00 0.00 +0.200 C BRANCH 178 179 ATOM 179 C GLY A 30 16.342 2.010 -0.219 0.00 0.00 +0.231 C ATOM 180 N SER A 31 17.592 2.104 -0.780 0.00 0.00 -0.301 N ATOM 181 H SER A 31 17.732 1.691 -1.702 0.00 0.00 +0.150 HD ATOM 182 O GLY A 30 16.005 2.631 0.793 0.00 0.00 -0.274 OA BRANCH 180 183 ATOM 183 CA SER A 31 18.464 3.221 -0.419 0.00 0.00 +0.184 C BRANCH 183 184 ATOM 184 C SER A 31 18.405 4.230 -1.584 0.00 0.00 +0.236 C ATOM 185 N GLY A 32 19.404 4.141 -2.528 0.00 0.00 -0.305 N ATOM 186 H GLY A 32 20.232 3.589 -2.334 0.00 0.00 +0.149 HD ATOM 187 O SER A 31 17.443 4.982 -1.726 0.00 0.00 -0.274 OA BRANCH 185 188 ATOM 188 CA GLY A 32 19.593 5.199 -3.524 0.00 0.00 +0.200 C BRANCH 188 189 ATOM 189 C GLY A 32 20.773 6.103 -3.143 0.00 0.00 +0.231 C ATOM 190 N SER A 33 21.107 6.107 -1.803 0.00 0.00 -0.301 N ATOM 191 H SER A 33 20.706 5.350 -1.257 0.00 0.00 +0.150 HD ATOM 192 O GLY A 32 21.345 6.811 -3.971 0.00 0.00 -0.274 OA BRANCH 190 193 ATOM 193 CA SER A 33 22.453 6.502 -1.384 0.00 0.00 +0.184 C BRANCH 193 194 ATOM 194 C SER A 33 23.306 5.208 -1.332 0.00 0.00 +0.236 C ATOM 195 N ASP A 34 24.595 5.364 -0.874 0.00 0.00 -0.300 N ATOM 196 H ASP A 34 24.994 6.276 -1.073 0.00 0.00 +0.150 HD ATOM 197 O SER A 33 22.874 4.105 -1.699 0.00 0.00 -0.274 OA BRANCH 195 198 ATOM 198 CA ASP A 34 25.538 4.241 -0.971 0.00 0.00 +0.192 C BRANCH 198 199 ATOM 199 C ASP A 34 25.082 3.069 -0.091 0.00 0.00 +0.326 C ATOM 200 O ASP A 34 24.398 3.122 0.915 0.00 0.00 -0.249 OA BRANCH 199 201 ATOM 201 OXT ASP A 34 25.609 1.886 -0.487 0.00 0.00 -0.479 OA ATOM 202 HXT ASP A 34 25.300 1.262 0.201 0.00 0.00 +0.295 HD ENDBRANCH 199 201 ENDBRANCH 198 199 BRANCH 198 203 ATOM 203 CB ASP A 34 26.943 4.635 -0.493 0.00 0.00 +0.154 C BRANCH 203 204 ATOM 204 CG ASP A 34 27.535 5.701 -1.368 0.00 0.00 +0.307 C ATOM 205 OD1 ASP A 34 26.892 6.384 -2.150 0.00 0.00 -0.251 OA BRANCH 204 206 ATOM 206 OD2 ASP A 34 28.857 5.890 -1.165 0.00 0.00 -0.481 OA ATOM 207 HD2 ASP A 34 29.247 5.337 -0.467 0.00 0.00 +0.295 HD ENDBRANCH 204 206 ENDBRANCH 203 204 ENDBRANCH 198 203 ENDBRANCH 195 198 ENDBRANCH 193 194 BRANCH 193 208 ATOM 208 CB SER A 33 22.410 7.223 -0.035 0.00 0.00 +0.187 C BRANCH 208 209 ATOM 209 OG SER A 33 21.989 6.377 1.038 0.00 0.00 -0.393 OA ATOM 210 H SER A 33 21.134 5.970 0.798 0.00 0.00 +0.209 HD ENDBRANCH 208 209 ENDBRANCH 193 208 ENDBRANCH 190 193 ENDBRANCH 188 189 ENDBRANCH 185 188 ENDBRANCH 183 184 BRANCH 183 211 ATOM 211 CB SER A 31 19.874 2.768 -0.034 0.00 0.00 +0.187 C BRANCH 211 212 ATOM 212 OG SER A 31 20.726 3.900 0.151 0.00 0.00 -0.393 OA ATOM 213 H SER A 31 21.639 3.545 0.258 0.00 0.00 +0.209 HD ENDBRANCH 211 212 ENDBRANCH 183 211 ENDBRANCH 180 183 ENDBRANCH 178 179 ENDBRANCH 175 178 ENDBRANCH 50 174 BRANCH 78 214 ATOM 214 CB ILE A 22 -3.258 1.654 1.996 0.00 0.00 +0.015 C ATOM 215 CG2 ILE A 22 -3.104 1.024 3.391 0.00 0.00 +0.010 C BRANCH 214 216 ATOM 216 CG1 ILE A 22 -4.273 2.809 2.064 0.00 0.00 +0.002 C ATOM 217 CD1 ILE A 22 -5.679 2.358 2.438 0.00 0.00 +0.004 C ENDBRANCH 214 216 ENDBRANCH 78 214 BRANCH 1 218 ATOM 218 CB ILE A 7 -14.264 -0.906 -0.623 0.00 0.00 +0.015 C ATOM 219 CG2 ILE A 7 -15.036 -0.527 0.646 0.00 0.00 +0.010 C BRANCH 218 221 ATOM 220 CD1 ILE A 7 -16.321 -1.705 -1.929 0.00 0.00 +0.004 C ATOM 221 CG1 ILE A 7 -15.141 -0.744 -1.886 0.00 0.00 +0.002 C ENDBRANCH 218 221 ENDBRANCH 1 218 BRANCH 6 222 ATOM 222 CB TRP A 8 -12.740 -3.867 -1.874 0.00 0.00 +0.069 C BRANCH 222 223 ATOM 223 CG TRP A 8 -13.505 -4.905 -1.099 0.00 0.00 -0.020 A ATOM 224 CD2 TRP A 8 -13.863 -6.209 -1.581 0.00 0.00 +0.003 A ATOM 225 CE2 TRP A 8 -14.468 -6.891 -0.531 0.00 0.00 +0.047 A ATOM 226 CZ2 TRP A 8 -14.903 -8.219 -0.638 0.00 0.00 +0.026 A ATOM 227 CH2 TRP A 8 -14.718 -8.861 -1.864 0.00 0.00 +0.002 A ATOM 228 CZ3 TRP A 8 -14.128 -8.204 -2.940 0.00 0.00 +0.001 A ATOM 229 NE1 TRP A 8 -14.532 -6.028 0.536 0.00 0.00 -0.360 N ATOM 230 HE1 TRP A 8 -14.918 -6.267 1.437 0.00 0.00 +0.165 HD ATOM 231 CE3 TRP A 8 -13.684 -6.881 -2.810 0.00 0.00 +0.010 A ATOM 232 CD1 TRP A 8 -13.962 -4.829 0.205 0.00 0.00 +0.087 A ENDBRANCH 222 223 ENDBRANCH 6 222 BRANCH 33 233 ATOM 233 CB ASP A 14 4.442 -8.184 -0.149 0.00 0.00 +0.152 C BRANCH 233 234 ATOM 234 CG ASP A 14 3.433 -8.491 0.925 0.00 0.00 +0.307 C ATOM 235 OD1 ASP A 14 2.842 -7.666 1.607 0.00 0.00 -0.251 OA BRANCH 234 236 ATOM 236 OD2 ASP A 14 3.208 -9.815 1.077 0.00 0.00 -0.481 OA ATOM 237 HD2 ASP A 14 2.456 -9.890 1.714 0.00 0.00 +0.295 HD ENDBRANCH 234 236 ENDBRANCH 233 234 ENDBRANCH 33 233 BRANCH 25 238 ATOM 238 CB ARG A 12 -2.073 -8.174 0.503 0.00 0.00 +0.033 C BRANCH 238 239 ATOM 239 CG ARG A 12 -1.508 -9.602 0.404 0.00 0.00 +0.023 C BRANCH 239 240 ATOM 240 CD ARG A 12 -1.723 -10.460 1.647 0.00 0.00 +0.115 C BRANCH 240 241 ATOM 241 NE ARG A 12 -1.159 -11.784 1.403 0.00 0.00 -0.356 N ATOM 242 HE ARG A 12 -1.466 -12.170 0.517 0.00 0.00 +0.162 HD BRANCH 241 243 ATOM 243 CZ ARG A 12 0.126 -12.116 1.666 0.00 0.00 +0.188 C ATOM 244 NH1 ARG A 12 1.015 -11.403 2.262 0.00 0.00 -0.269 NA ATOM 245 HH1 ARG A 12 1.880 -11.948 2.317 0.00 0.00 +0.190 HD BRANCH 243 246 ATOM 246 NH2 ARG A 12 0.387 -13.358 1.197 0.00 0.00 -0.370 N ATOM 247 HH21 ARG A 12 -0.425 -13.969 1.247 0.00 0.00 +0.159 HD ATOM 248 HH22 ARG A 12 1.161 -13.828 1.660 0.00 0.00 +0.159 HD ENDBRANCH 243 246 ENDBRANCH 241 243 ENDBRANCH 240 241 ENDBRANCH 239 240 ENDBRANCH 238 239 ENDBRANCH 25 238 BRANCH 11 249 ATOM 249 CB LYS A 9 -10.138 -7.330 0.540 0.00 0.00 +0.032 C BRANCH 249 250 ATOM 250 CG LYS A 9 -10.947 -7.145 1.825 0.00 0.00 +0.003 C BRANCH 250 251 ATOM 251 CD LYS A 9 -11.714 -8.419 2.189 0.00 0.00 +0.015 C BRANCH 251 252 ATOM 252 CE LYS A 9 -12.573 -8.201 3.433 0.00 0.00 +0.077 C BRANCH 252 253 ATOM 253 NZ LYS A 9 -13.366 -9.391 3.717 0.00 0.00 -0.330 NA ATOM 254 HZ1 LYS A 9 -13.844 -9.273 4.611 0.00 0.00 +0.118 HD ATOM 255 HZ2 LYS A 9 -12.757 -10.199 3.830 0.00 0.00 +0.118 HD ENDBRANCH 252 253 ENDBRANCH 251 252 ENDBRANCH 250 251 ENDBRANCH 249 250 ENDBRANCH 11 249 BRANCH 41 256 ATOM 256 CB ASP A 16 7.645 -3.362 -2.251 0.00 0.00 +0.152 C BRANCH 256 257 ATOM 257 CG ASP A 16 8.614 -3.535 -3.382 0.00 0.00 +0.307 C ATOM 258 OD1 ASP A 16 8.388 -4.061 -4.457 0.00 0.00 -0.251 OA BRANCH 257 259 ATOM 259 OD2 ASP A 16 9.861 -3.125 -3.074 0.00 0.00 -0.481 OA ATOM 260 HD2 ASP A 16 10.372 -3.304 -3.895 0.00 0.00 +0.295 HD ENDBRANCH 257 259 ENDBRANCH 256 257 ENDBRANCH 41 256 BRANCH 37 261 ATOM 261 CB SER A 15 5.324 -5.468 -5.442 0.00 0.00 +0.187 C BRANCH 261 262 ATOM 262 OG SER A 15 5.412 -6.877 -5.668 0.00 0.00 -0.393 OA ATOM 263 H SER A 15 4.496 -7.218 -5.656 0.00 0.00 +0.209 HD ENDBRANCH 261 262 ENDBRANCH 37 261 BRANCH 29 264 ATOM 264 CB ARG A 13 0.993 -10.592 -2.484 0.00 0.00 +0.033 C BRANCH 264 265 ATOM 265 CG ARG A 13 2.039 -11.516 -1.841 0.00 0.00 +0.023 C BRANCH 265 266 ATOM 266 CD ARG A 13 1.867 -12.971 -2.261 0.00 0.00 +0.115 C BRANCH 266 267 ATOM 267 NE ARG A 13 0.585 -13.474 -1.796 0.00 0.00 -0.356 N ATOM 268 HE ARG A 13 0.595 -13.581 -0.781 0.00 0.00 +0.162 HD BRANCH 267 269 ATOM 269 CZ ARG A 13 -0.086 -14.468 -2.418 0.00 0.00 +0.188 C ATOM 270 NH1 ARG A 13 -0.131 -14.736 -3.673 0.00 0.00 -0.269 NA ATOM 271 HH1 ARG A 13 0.443 -14.065 -4.182 0.00 0.00 +0.190 HD BRANCH 269 272 ATOM 272 NH2 ARG A 13 -0.811 -15.230 -1.576 0.00 0.00 -0.370 N ATOM 273 HH21 ARG A 13 -1.344 -15.897 -2.132 0.00 0.00 +0.159 HD ATOM 274 HH22 ARG A 13 -1.441 -14.701 -0.988 0.00 0.00 +0.159 HD ENDBRANCH 269 272 ENDBRANCH 267 269 ENDBRANCH 266 267 ENDBRANCH 265 266 ENDBRANCH 264 265 ENDBRANCH 29 264 BRANCH 112 275 ATOM 275 CB PHE A 5 -10.188 3.540 -2.683 0.00 0.00 +0.067 C BRANCH 275 276 ATOM 276 CG PHE A 5 -11.290 4.161 -3.515 0.00 0.00 -0.045 A ATOM 277 CD2 PHE A 5 -12.088 3.314 -4.298 0.00 0.00 +0.004 A ATOM 278 CE2 PHE A 5 -13.107 3.826 -5.107 0.00 0.00 +0.000 A ATOM 279 CZ PHE A 5 -13.329 5.202 -5.156 0.00 0.00 +0.000 A ATOM 280 CE1 PHE A 5 -12.536 6.057 -4.401 0.00 0.00 +0.000 A ATOM 281 CD1 PHE A 5 -11.513 5.542 -3.594 0.00 0.00 +0.004 A ENDBRANCH 275 276 ENDBRANCH 112 275 BRANCH 117 282 ATOM 282 CB ARG A 6 -11.512 1.990 1.782 0.00 0.00 +0.033 C BRANCH 282 283 ATOM 283 CG ARG A 6 -12.605 2.623 2.651 0.00 0.00 +0.023 C BRANCH 283 284 ATOM 284 CD ARG A 6 -12.916 1.753 3.864 0.00 0.00 +0.115 C BRANCH 284 285 ATOM 285 NE ARG A 6 -13.919 2.383 4.680 0.00 0.00 -0.356 N ATOM 286 HE ARG A 6 -13.584 3.054 5.366 0.00 0.00 +0.162 HD BRANCH 285 287 ATOM 287 CZ ARG A 6 -15.247 2.495 4.486 0.00 0.00 +0.188 C ATOM 288 NH1 ARG A 6 -15.916 3.331 5.194 0.00 0.00 -0.269 NA ATOM 289 HH1 ARG A 6 -16.907 3.271 4.950 0.00 0.00 +0.190 HD BRANCH 287 290 ATOM 290 NH2 ARG A 6 -15.819 1.710 3.553 0.00 0.00 -0.370 N ATOM 291 HH21 ARG A 6 -16.749 1.995 3.285 0.00 0.00 +0.159 HD ATOM 292 HH22 ARG A 6 -15.247 1.557 2.730 0.00 0.00 +0.159 HD ENDBRANCH 287 290 ENDBRANCH 285 287 ENDBRANCH 284 285 ENDBRANCH 283 284 ENDBRANCH 282 283 ENDBRANCH 117 282 BRANCH 70 293 ATOM 293 CB ARG A 24 2.157 -1.353 2.063 0.00 0.00 +0.033 C BRANCH 293 294 ATOM 294 CG ARG A 24 3.330 -2.334 2.088 0.00 0.00 +0.023 C BRANCH 294 295 ATOM 295 CD ARG A 24 3.211 -3.369 3.208 0.00 0.00 +0.115 C BRANCH 295 296 ATOM 296 NE ARG A 24 3.716 -2.921 4.504 0.00 0.00 -0.356 N ATOM 297 HE ARG A 24 4.059 -3.734 5.004 0.00 0.00 +0.162 HD BRANCH 296 298 ATOM 298 CZ ARG A 24 2.980 -2.115 5.303 0.00 0.00 +0.188 C ATOM 299 NH1 ARG A 24 2.850 -0.851 5.129 0.00 0.00 -0.269 NA ATOM 300 HH1 ARG A 24 2.250 -0.464 5.857 0.00 0.00 +0.190 HD BRANCH 298 301 ATOM 301 NH2 ARG A 24 2.337 -2.772 6.292 0.00 0.00 -0.370 N ATOM 302 HH21 ARG A 24 2.803 -3.582 6.680 0.00 0.00 +0.159 HD ATOM 303 HH22 ARG A 24 1.943 -2.199 7.023 0.00 0.00 +0.159 HD ENDBRANCH 298 301 ENDBRANCH 296 298 ENDBRANCH 295 296 ENDBRANCH 294 295 ENDBRANCH 293 294 ENDBRANCH 70 293 BRANCH 62 304 ATOM 304 CB ASN A 26 7.583 2.603 1.920 0.00 0.00 +0.127 C BRANCH 304 305 ATOM 305 CG ASN A 26 8.503 3.629 2.533 0.00 0.00 +0.213 C ATOM 306 OD1 ASN A 26 9.192 3.422 3.526 0.00 0.00 -0.276 OA ATOM 307 ND2 ASN A 26 8.575 4.822 1.878 0.00 0.00 -0.329 N ATOM 308 HD21 ASN A 26 8.316 4.920 0.901 0.00 0.00 +0.145 HD ATOM 309 HD22 ASN A 26 9.268 5.479 2.222 0.00 0.00 +0.145 HD ENDBRANCH 304 305 ENDBRANCH 62 304 BRANCH 54 310 ATOM 310 CB TYR A 28 12.064 -2.365 1.596 0.00 0.00 +0.067 C BRANCH 310 311 ATOM 311 CG TYR A 28 13.239 -2.498 2.535 0.00 0.00 -0.045 A ATOM 312 CD2 TYR A 28 14.350 -1.655 2.394 0.00 0.00 +0.007 A ATOM 313 CE2 TYR A 28 15.434 -1.762 3.266 0.00 0.00 +0.045 A ATOM 314 CZ TYR A 28 15.413 -2.710 4.279 0.00 0.00 +0.117 A ATOM 315 CE1 TYR A 28 14.324 -3.559 4.436 0.00 0.00 +0.045 A ATOM 316 CD1 TYR A 28 13.241 -3.456 3.559 0.00 0.00 +0.007 A BRANCH 314 317 ATOM 317 OH TYR A 28 16.493 -2.781 5.107 0.00 0.00 -0.507 OA ATOM 318 HH TYR A 28 16.322 -3.447 5.794 0.00 0.00 +0.292 HD ENDBRANCH 314 317 ENDBRANCH 310 311 ENDBRANCH 54 310 BRANCH 16 319 ATOM 319 CB LYS A 10 -6.491 -8.386 1.115 0.00 0.00 +0.032 C BRANCH 319 320 ATOM 320 CG LYS A 10 -6.063 -9.408 0.062 0.00 0.00 +0.003 C BRANCH 320 321 ATOM 321 CD LYS A 10 -5.910 -10.823 0.628 0.00 0.00 +0.015 C BRANCH 321 322 ATOM 322 CE LYS A 10 -7.151 -11.399 1.315 0.00 0.00 +0.077 C BRANCH 322 323 ATOM 323 NZ LYS A 10 -8.335 -11.304 0.471 0.00 0.00 -0.330 NA ATOM 324 HZ1 LYS A 10 -9.108 -11.810 0.901 0.00 0.00 +0.118 HD ATOM 325 HZ2 LYS A 10 -8.163 -11.753 -0.431 0.00 0.00 +0.118 HD ENDBRANCH 322 323 ENDBRANCH 321 322 ENDBRANCH 320 321 ENDBRANCH 319 320 ENDBRANCH 16 319 TORSDOF 89