EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:53 REMARK 6 MODELLER OBJECTIVE FUNCTION: 184.7920 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 45.946 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -2289.15088 REMARK 6 GA341 score: 0.99999 REMARK 6 Normalized DOPE score: -1.22378 REMARK 6 TEMPLATE: 4d0eA02 455:A - 491:A MODELS 1: - 37: AT 45.9% ATOM 1 N GLU 530 12.456 -9.594 39.109 1.00 80.42 N ATOM 2 CA GLU 530 13.056 -10.014 37.826 1.00 80.42 C ATOM 3 CB GLU 530 12.504 -11.396 37.430 1.00 80.42 C ATOM 4 CG GLU 530 13.139 -12.557 38.204 1.00 80.42 C ATOM 5 CD GLU 530 12.744 -12.491 39.674 1.00 80.42 C ATOM 6 OE1 GLU 530 11.524 -12.602 39.968 1.00 80.42 O ATOM 7 OE2 GLU 530 13.663 -12.353 40.524 1.00 80.42 O ATOM 8 C GLU 530 12.756 -9.023 36.745 1.00 80.42 C ATOM 9 O GLU 530 13.428 -8.989 35.718 1.00 80.42 O ATOM 10 N CYS 531 11.702 -8.211 36.949 1.00 60.26 N ATOM 11 CA CYS 531 11.273 -7.182 36.037 1.00 60.26 C ATOM 12 CB CYS 531 9.814 -6.728 36.238 1.00 60.26 C ATOM 13 SG CYS 531 8.611 -8.012 35.774 1.00 60.26 S ATOM 14 C CYS 531 12.157 -5.972 36.117 1.00 60.26 C ATOM 15 O CYS 531 12.147 -5.132 35.219 1.00 60.26 O ATOM 16 N ALA 532 12.943 -5.842 37.200 1.00 45.60 N ATOM 17 CA ALA 532 13.675 -4.631 37.450 1.00 45.60 C ATOM 18 CB ALA 532 14.581 -4.745 38.689 1.00 45.60 C ATOM 19 C ALA 532 14.535 -4.282 36.276 1.00 45.60 C ATOM 20 O ALA 532 14.597 -3.114 35.889 1.00 45.60 O ATOM 21 N SER 533 15.226 -5.259 35.661 1.00158.67 N ATOM 22 CA SER 533 16.003 -4.900 34.509 1.00158.67 C ATOM 23 CB SER 533 17.229 -5.810 34.336 1.00158.67 C ATOM 24 OG SER 533 17.941 -5.897 35.559 1.00158.67 O ATOM 25 C SER 533 15.116 -5.200 33.343 1.00158.67 C ATOM 26 O SER 533 15.302 -6.237 32.714 1.00158.67 O ATOM 27 N THR 534 14.228 -4.247 32.975 1.00179.49 N ATOM 28 CA THR 534 13.148 -4.379 32.024 1.00179.49 C ATOM 29 CB THR 534 12.742 -3.057 31.441 1.00179.49 C ATOM 30 OG1 THR 534 13.824 -2.475 30.728 1.00179.49 O ATOM 31 CG2 THR 534 12.307 -2.130 32.590 1.00179.49 C ATOM 32 C THR 534 13.486 -5.293 30.888 1.00179.49 C ATOM 33 O THR 534 13.984 -4.888 29.840 1.00179.49 O ATOM 34 N PRO 535 13.208 -6.546 31.129 1.00102.55 N ATOM 35 CA PRO 535 13.421 -7.632 30.211 1.00102.55 C ATOM 36 CD PRO 535 12.617 -6.984 32.384 1.00102.55 C ATOM 37 CB PRO 535 13.342 -8.889 31.073 1.00102.55 C ATOM 38 CG PRO 535 12.365 -8.489 32.194 1.00102.55 C ATOM 39 C PRO 535 12.429 -7.713 29.085 1.00102.55 C ATOM 40 O PRO 535 12.762 -8.321 28.069 1.00102.55 O ATOM 41 N CYS 536 11.210 -7.154 29.234 1.00 53.37 N ATOM 42 CA CYS 536 10.204 -7.375 28.232 1.00 53.37 C ATOM 43 CB CYS 536 8.799 -7.535 28.838 1.00 53.37 C ATOM 44 SG CYS 536 8.761 -8.849 30.096 1.00 53.37 S ATOM 45 C CYS 536 10.186 -6.201 27.311 1.00 53.37 C ATOM 46 O CYS 536 9.950 -5.074 27.739 1.00 53.37 O ATOM 47 N LYS 537 10.426 -6.453 26.006 1.00 87.16 N ATOM 48 CA LYS 537 10.524 -5.423 25.006 1.00 87.16 C ATOM 49 CB LYS 537 11.421 -5.797 23.811 1.00 87.16 C ATOM 50 CG LYS 537 12.869 -6.139 24.143 1.00 87.16 C ATOM 51 CD LYS 537 13.577 -6.814 22.967 1.00 87.16 C ATOM 52 CE LYS 537 14.983 -7.312 23.292 1.00 87.16 C ATOM 53 NZ LYS 537 15.916 -6.171 23.380 1.00 87.16 N ATOM 54 C LYS 537 9.194 -5.162 24.364 1.00 87.16 C ATOM 55 O LYS 537 8.225 -5.899 24.535 1.00 87.16 O ATOM 56 N ASN 538 9.154 -4.067 23.579 1.00 73.46 N ATOM 57 CA ASN 538 8.051 -3.691 22.735 1.00 73.46 C ATOM 58 CB ASN 538 7.790 -4.723 21.627 1.00 73.46 C ATOM 59 CG ASN 538 8.964 -4.647 20.667 1.00 73.46 C ATOM 60 OD1 ASN 538 9.209 -3.613 20.049 1.00 73.46 O ATOM 61 ND2 ASN 538 9.724 -5.768 20.545 1.00 73.46 N ATOM 62 C ASN 538 6.777 -3.493 23.487 1.00 73.46 C ATOM 63 O ASN 538 5.713 -3.885 23.007 1.00 73.46 O ATOM 64 N GLY 539 6.845 -2.876 24.681 1.00 22.53 N ATOM 65 CA GLY 539 5.633 -2.530 25.364 1.00 22.53 C ATOM 66 C GLY 539 4.959 -3.759 25.879 1.00 22.53 C ATOM 67 O GLY 539 3.747 -3.764 26.095 1.00 22.53 O ATOM 68 N ALA 540 5.727 -4.842 26.075 1.00 33.42 N ATOM 69 CA ALA 540 5.170 -6.051 26.609 1.00 33.42 C ATOM 70 CB ALA 540 6.075 -7.283 26.426 1.00 33.42 C ATOM 71 C ALA 540 4.984 -5.840 28.080 1.00 33.42 C ATOM 72 O ALA 540 5.555 -4.919 28.661 1.00 33.42 O ATOM 73 N LYS 541 4.135 -6.672 28.719 1.00 42.97 N ATOM 74 CA LYS 541 3.923 -6.572 30.137 1.00 42.97 C ATOM 75 CB LYS 541 2.536 -7.038 30.608 1.00 42.97 C ATOM 76 CG LYS 541 1.353 -6.185 30.160 1.00 42.97 C ATOM 77 CD LYS 541 0.019 -6.879 30.438 1.00 42.97 C ATOM 78 CE LYS 541 -1.213 -6.065 30.049 1.00 42.97 C ATOM 79 NZ LYS 541 -2.435 -6.845 30.347 1.00 42.97 N ATOM 80 C LYS 541 4.872 -7.520 30.798 1.00 42.97 C ATOM 81 O LYS 541 5.013 -8.667 30.372 1.00 42.97 O ATOM 82 N CYS 542 5.542 -7.068 31.876 1.00 42.00 N ATOM 83 CA CYS 542 6.463 -7.924 32.569 1.00 42.00 C ATOM 84 CB CYS 542 7.800 -7.238 32.928 1.00 42.00 C ATOM 85 SG CYS 542 8.957 -8.345 33.795 1.00 42.00 S ATOM 86 C CYS 542 5.829 -8.306 33.859 1.00 42.00 C ATOM 87 O CYS 542 5.369 -7.448 34.612 1.00 42.00 O ATOM 88 N THR 543 5.766 -9.614 34.161 1.00114.86 N ATOM 89 CA THR 543 5.199 -9.928 35.435 1.00114.86 C ATOM 90 CB THR 543 4.058 -10.898 35.411 1.00114.86 C ATOM 91 OG1 THR 543 4.502 -12.171 34.965 1.00114.86 O ATOM 92 CG2 THR 543 2.965 -10.349 34.478 1.00114.86 C ATOM 93 C THR 543 6.281 -10.513 36.275 1.00114.86 C ATOM 94 O THR 543 6.995 -11.422 35.853 1.00114.86 O ATOM 95 N ASP 544 6.424 -9.981 37.504 1.00 42.76 N ATOM 96 CA ASP 544 7.439 -10.432 38.409 1.00 42.76 C ATOM 97 CB ASP 544 7.843 -9.355 39.432 1.00 42.76 C ATOM 98 CG ASP 544 9.160 -9.755 40.084 1.00 42.76 C ATOM 99 OD1 ASP 544 9.808 -10.716 39.586 1.00 42.76 O ATOM 100 OD2 ASP 544 9.534 -9.095 41.091 1.00 42.76 O ATOM 101 C ASP 544 6.863 -11.583 39.164 1.00 42.76 C ATOM 102 O ASP 544 5.897 -11.426 39.909 1.00 42.76 O ATOM 103 N GLY 545 7.454 -12.778 38.987 1.00 38.34 N ATOM 104 CA GLY 545 6.920 -13.936 39.633 1.00 38.34 C ATOM 105 C GLY 545 8.019 -14.578 40.406 1.00 38.34 C ATOM 106 O GLY 545 9.176 -14.173 40.364 1.00 38.34 O ATOM 107 N PRO 546 7.633 -15.578 41.137 1.00106.39 N ATOM 108 CA PRO 546 8.557 -16.302 41.958 1.00106.39 C ATOM 109 CD PRO 546 6.458 -16.364 40.798 1.00106.39 C ATOM 110 CB PRO 546 7.756 -17.474 42.519 1.00106.39 C ATOM 111 CG PRO 546 6.712 -17.747 41.417 1.00106.39 C ATOM 112 C PRO 546 9.711 -16.785 41.141 1.00106.39 C ATOM 113 O PRO 546 9.509 -17.606 40.249 1.00106.39 O ATOM 114 N ASN 547 10.929 -16.313 41.453 1.00 62.53 N ATOM 115 CA ASN 547 12.120 -16.793 40.822 1.00 62.53 C ATOM 116 CB ASN 547 12.397 -18.265 41.173 1.00 62.53 C ATOM 117 CG ASN 547 12.650 -18.321 42.669 1.00 62.53 C ATOM 118 OD1 ASN 547 13.785 -18.195 43.126 1.00 62.53 O ATOM 119 ND2 ASN 547 11.554 -18.481 43.459 1.00 62.53 N ATOM 120 C ASN 547 12.039 -16.687 39.328 1.00 62.53 C ATOM 121 O ASN 547 12.651 -17.502 38.641 1.00 62.53 O ATOM 122 N LYS 548 11.314 -15.701 38.760 1.00105.54 N ATOM 123 CA LYS 548 11.315 -15.662 37.323 1.00105.54 C ATOM 124 CB LYS 548 10.777 -16.947 36.676 1.00105.54 C ATOM 125 CG LYS 548 9.292 -17.181 36.958 1.00105.54 C ATOM 126 CD LYS 548 8.648 -18.199 36.014 1.00105.54 C ATOM 127 CE LYS 548 7.129 -18.282 36.158 1.00105.54 C ATOM 128 NZ LYS 548 6.490 -18.138 34.832 1.00105.54 N ATOM 129 C LYS 548 10.430 -14.550 36.854 1.00105.54 C ATOM 130 O LYS 548 9.691 -13.961 37.640 1.00105.54 O ATOM 131 N TYR 549 10.505 -14.222 35.543 1.00 65.63 N ATOM 132 CA TYR 549 9.612 -13.236 35.006 1.00 65.63 C ATOM 133 CB TYR 549 10.272 -11.888 34.640 1.00 65.63 C ATOM 134 CG TYR 549 11.107 -12.048 33.413 1.00 65.63 C ATOM 135 CD1 TYR 549 12.422 -12.453 33.479 1.00 65.63 C ATOM 136 CD2 TYR 549 10.552 -11.777 32.182 1.00 65.63 C ATOM 137 CE1 TYR 549 13.165 -12.593 32.328 1.00 65.63 C ATOM 138 CE2 TYR 549 11.295 -11.918 31.034 1.00 65.63 C ATOM 139 CZ TYR 549 12.602 -12.326 31.105 1.00 65.63 C ATOM 140 OH TYR 549 13.359 -12.468 29.924 1.00 65.63 O ATOM 141 C TYR 549 9.025 -13.810 33.753 1.00 65.63 C ATOM 142 O TYR 549 9.595 -14.716 33.146 1.00 65.63 O ATOM 143 N THR 550 7.821 -13.340 33.363 1.00103.62 N ATOM 144 CA THR 550 7.243 -13.784 32.127 1.00103.62 C ATOM 145 CB THR 550 6.018 -14.642 32.269 1.00103.62 C ATOM 146 OG1 THR 550 5.727 -15.261 31.025 1.00103.62 O ATOM 147 CG2 THR 550 4.833 -13.760 32.693 1.00103.62 C ATOM 148 C THR 550 6.826 -12.551 31.393 1.00103.62 C ATOM 149 O THR 550 6.467 -11.548 32.007 1.00103.62 O ATOM 150 N CYS 551 6.877 -12.586 30.050 1.00 40.94 N ATOM 151 CA CYS 551 6.499 -11.413 29.321 1.00 40.94 C ATOM 152 CB CYS 551 7.549 -10.962 28.288 1.00 40.94 C ATOM 153 SG CYS 551 9.144 -10.548 29.052 1.00 40.94 S ATOM 154 C CYS 551 5.244 -11.716 28.574 1.00 40.94 C ATOM 155 O CYS 551 5.057 -12.828 28.081 1.00 40.94 O ATOM 156 N GLU 552 4.329 -10.726 28.523 1.00 84.40 N ATOM 157 CA GLU 552 3.142 -10.849 27.729 1.00 84.40 C ATOM 158 CB GLU 552 1.859 -10.411 28.463 1.00 84.40 C ATOM 159 CG GLU 552 0.571 -10.703 27.687 1.00 84.40 C ATOM 160 CD GLU 552 -0.625 -10.395 28.582 1.00 84.40 C ATOM 161 OE1 GLU 552 -0.628 -10.842 29.761 1.00 84.40 O ATOM 162 OE2 GLU 552 -1.566 -9.720 28.086 1.00 84.40 O ATOM 163 C GLU 552 3.384 -9.918 26.582 1.00 84.40 C ATOM 164 O GLU 552 3.602 -8.723 26.778 1.00 84.40 O ATOM 165 N CYS 553 3.379 -10.450 25.346 1.00 48.72 N ATOM 166 CA CYS 553 3.751 -9.636 24.223 1.00 48.72 C ATOM 167 CB CYS 553 4.386 -10.435 23.071 1.00 48.72 C ATOM 168 SG CYS 553 5.719 -11.549 23.608 1.00 48.72 S ATOM 169 C CYS 553 2.549 -8.973 23.645 1.00 48.72 C ATOM 170 O CYS 553 1.426 -9.458 23.776 1.00 48.72 O ATOM 171 N THR 554 2.768 -7.819 22.986 1.00106.04 N ATOM 172 CA THR 554 1.679 -7.215 22.287 1.00106.04 C ATOM 173 CB THR 554 1.907 -5.782 21.911 1.00106.04 C ATOM 174 OG1 THR 554 0.715 -5.224 21.383 1.00106.04 O ATOM 175 CG2 THR 554 3.036 -5.715 20.869 1.00106.04 C ATOM 176 C THR 554 1.565 -8.006 21.027 1.00106.04 C ATOM 177 O THR 554 2.495 -8.736 20.682 1.00106.04 O ATOM 178 N PRO 555 0.481 -7.914 20.309 1.00 62.81 N ATOM 179 CA PRO 555 0.390 -8.730 19.135 1.00 62.81 C ATOM 180 CD PRO 555 -0.824 -7.715 20.922 1.00 62.81 C ATOM 181 CB PRO 555 -1.064 -8.662 18.685 1.00 62.81 C ATOM 182 CG PRO 555 -1.824 -8.460 20.012 1.00 62.81 C ATOM 183 C PRO 555 1.402 -8.339 18.116 1.00 62.81 C ATOM 184 O PRO 555 1.731 -7.157 18.017 1.00 62.81 O ATOM 185 N GLY 556 1.913 -9.330 17.358 1.00 20.45 N ATOM 186 CA GLY 556 2.898 -9.075 16.349 1.00 20.45 C ATOM 187 C GLY 556 4.254 -9.363 16.914 1.00 20.45 C ATOM 188 O GLY 556 5.238 -9.387 16.175 1.00 20.45 O ATOM 189 N PHE 557 4.344 -9.601 18.240 1.00 50.68 N ATOM 190 CA PHE 557 5.630 -9.859 18.832 1.00 50.68 C ATOM 191 CB PHE 557 6.033 -8.835 19.905 1.00 50.68 C ATOM 192 CG PHE 557 6.326 -7.555 19.206 1.00 50.68 C ATOM 193 CD1 PHE 557 7.570 -7.349 18.659 1.00 50.68 C ATOM 194 CD2 PHE 557 5.369 -6.573 19.095 1.00 50.68 C ATOM 195 CE1 PHE 557 7.863 -6.176 18.004 1.00 50.68 C ATOM 196 CE2 PHE 557 5.658 -5.398 18.439 1.00 50.68 C ATOM 197 CZ PHE 557 6.905 -5.196 17.898 1.00 50.68 C ATOM 198 C PHE 557 5.594 -11.194 19.505 1.00 50.68 C ATOM 199 O PHE 557 4.535 -11.668 19.912 1.00 50.68 O ATOM 200 N SER 558 6.768 -11.848 19.617 1.00 74.56 N ATOM 201 CA SER 558 6.844 -13.128 20.261 1.00 74.56 C ATOM 202 CB SER 558 6.586 -14.316 19.313 1.00 74.56 C ATOM 203 OG SER 558 5.233 -14.308 18.878 1.00 74.56 O ATOM 204 C SER 558 8.224 -13.274 20.821 1.00 74.56 C ATOM 205 O SER 558 9.074 -12.401 20.649 1.00 74.56 O ATOM 206 N GLY 559 8.481 -14.396 21.525 1.00 21.96 N ATOM 207 CA GLY 559 9.774 -14.623 22.105 1.00 21.96 C ATOM 208 C GLY 559 9.686 -14.386 23.580 1.00 21.96 C ATOM 209 O GLY 559 8.745 -13.771 24.077 1.00 21.96 O ATOM 210 N ILE 560 10.698 -14.874 24.323 1.00147.96 N ATOM 211 CA ILE 560 10.706 -14.750 25.749 1.00147.96 C ATOM 212 CB ILE 560 11.880 -15.456 26.375 1.00147.96 C ATOM 213 CG1 ILE 560 13.226 -14.882 25.884 1.00147.96 C ATOM 214 CG2 ILE 560 11.712 -16.958 26.089 1.00147.96 C ATOM 215 CD1 ILE 560 13.510 -15.114 24.396 1.00147.96 C ATOM 216 C ILE 560 10.731 -13.296 26.123 1.00147.96 C ATOM 217 O ILE 560 10.039 -12.873 27.048 1.00147.96 O ATOM 218 N HIS 561 11.584 -12.509 25.447 1.00 94.05 N ATOM 219 CA HIS 561 11.702 -11.088 25.626 1.00 94.05 C ATOM 220 ND1 HIS 561 14.693 -12.280 26.313 1.00 94.05 N ATOM 221 CG HIS 561 14.046 -11.065 26.377 1.00 94.05 C ATOM 222 CB HIS 561 13.108 -10.560 25.324 1.00 94.05 C ATOM 223 NE2 HIS 561 15.277 -11.352 28.248 1.00 94.05 N ATOM 224 CD2 HIS 561 14.415 -10.513 27.566 1.00 94.05 C ATOM 225 CE1 HIS 561 15.414 -12.401 27.455 1.00 94.05 C ATOM 226 C HIS 561 10.669 -10.331 24.845 1.00 94.05 C ATOM 227 O HIS 561 10.512 -9.127 25.042 1.00 94.05 O ATOM 228 N CYS 562 9.966 -11.000 23.909 1.00 61.91 N ATOM 229 CA CYS 562 9.021 -10.351 23.034 1.00 61.91 C ATOM 230 CB CYS 562 7.971 -9.487 23.773 1.00 61.91 C ATOM 231 SG CYS 562 6.861 -10.429 24.863 1.00 61.91 S ATOM 232 C CYS 562 9.792 -9.452 22.105 1.00 61.91 C ATOM 233 O CYS 562 9.259 -8.480 21.569 1.00 61.91 O ATOM 234 N GLU 563 11.090 -9.765 21.909 1.00 94.37 N ATOM 235 CA GLU 563 11.996 -9.048 21.051 1.00 94.37 C ATOM 236 CB GLU 563 13.475 -9.409 21.270 1.00 94.37 C ATOM 237 CG GLU 563 13.881 -10.758 20.674 1.00 94.37 C ATOM 238 CD GLU 563 13.662 -11.859 21.700 1.00 94.37 C ATOM 239 OE1 GLU 563 12.625 -11.822 22.413 1.00 94.37 O ATOM 240 OE2 GLU 563 14.540 -12.757 21.785 1.00 94.37 O ATOM 241 C GLU 563 11.713 -9.341 19.607 1.00 94.37 C ATOM 242 O GLU 563 11.952 -8.510 18.731 1.00 94.37 O ATOM 243 N LEU 564 11.228 -10.564 19.319 1.00152.09 N ATOM 244 CA LEU 564 11.087 -10.979 17.954 1.00152.09 C ATOM 245 CB LEU 564 11.057 -12.507 17.775 1.00152.09 C ATOM 246 CG LEU 564 12.402 -13.156 18.154 1.00152.09 C ATOM 247 CD1 LEU 564 12.406 -14.673 17.917 1.00152.09 C ATOM 248 CD2 LEU 564 13.571 -12.447 17.448 1.00152.09 C ATOM 249 C LEU 564 9.850 -10.418 17.351 1.00152.09 C ATOM 250 O LEU 564 8.754 -10.510 17.900 1.00152.09 O ATOM 251 N ASP 565 10.034 -9.813 16.165 1.00 33.44 N ATOM 252 CA ASP 565 8.962 -9.253 15.407 1.00 33.44 C ATOM 253 CB ASP 565 9.404 -8.062 14.535 1.00 33.44 C ATOM 254 CG ASP 565 8.169 -7.373 13.969 1.00 33.44 C ATOM 255 OD1 ASP 565 7.110 -8.047 13.860 1.00 33.44 O ATOM 256 OD2 ASP 565 8.270 -6.161 13.641 1.00 33.44 O ATOM 257 C ASP 565 8.524 -10.352 14.501 1.00 33.44 C ATOM 258 O ASP 565 9.317 -10.881 13.724 1.00 33.44 O ATOM 259 N ILE 566 7.243 -10.748 14.599 1.00 69.42 N ATOM 260 CA ILE 566 6.776 -11.831 13.788 1.00 69.42 C ATOM 261 CB ILE 566 5.440 -12.348 14.220 1.00 69.42 C ATOM 262 CG1 ILE 566 5.522 -12.860 15.669 1.00 69.42 C ATOM 263 CG2 ILE 566 4.987 -13.412 13.207 1.00 69.42 C ATOM 264 CD1 ILE 566 6.543 -13.980 15.876 1.00 69.42 C ATOM 265 C ILE 566 6.640 -11.321 12.358 1.00 69.42 C ATOM 266 O ILE 566 5.502 -10.964 11.952 1.00 69.42 O ATOM 267 OXT ILE 566 7.678 -11.281 11.646 1.00 69.42 O