EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:19 REMARK 6 MODELLER OBJECTIVE FUNCTION: 96.5354 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 59.091 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1111.73254 REMARK 6 GA341 score: 0.90934 REMARK 6 Normalized DOPE score: -1.00192 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 59.1% ATOM 1 N GLU 315 11.366 37.147 48.566 1.00106.11 N ATOM 2 CA GLU 315 10.977 38.370 49.299 1.00106.11 C ATOM 3 CB GLU 315 9.943 39.152 48.478 1.00106.11 C ATOM 4 CG GLU 315 10.476 39.581 47.113 1.00106.11 C ATOM 5 CD GLU 315 11.777 40.324 47.358 1.00106.11 C ATOM 6 OE1 GLU 315 11.878 41.007 48.413 1.00106.11 O ATOM 7 OE2 GLU 315 12.691 40.209 46.500 1.00106.11 O ATOM 8 C GLU 315 10.352 37.975 50.593 1.00106.11 C ATOM 9 O GLU 315 11.039 37.749 51.588 1.00106.11 O ATOM 10 N LYS 316 9.008 37.900 50.614 1.00122.78 N ATOM 11 CA LYS 316 8.351 37.469 51.811 1.00122.78 C ATOM 12 CB LYS 316 7.219 38.403 52.274 1.00122.78 C ATOM 13 CG LYS 316 7.713 39.761 52.785 1.00122.78 C ATOM 14 CD LYS 316 8.220 40.699 51.686 1.00122.78 C ATOM 15 CE LYS 316 7.241 41.818 51.324 1.00122.78 C ATOM 16 NZ LYS 316 7.289 42.884 52.351 1.00122.78 N ATOM 17 C LYS 316 7.749 36.132 51.516 1.00122.78 C ATOM 18 O LYS 316 6.733 35.999 50.838 1.00122.78 O ATOM 19 N PRO 317 8.411 35.134 52.022 1.00120.08 N ATOM 20 CA PRO 317 7.997 33.772 51.814 1.00120.08 C ATOM 21 CD PRO 317 9.851 35.245 52.190 1.00120.08 C ATOM 22 CB PRO 317 9.187 32.913 52.241 1.00120.08 C ATOM 23 CG PRO 317 10.403 33.825 52.008 1.00120.08 C ATOM 24 C PRO 317 6.715 33.324 52.455 1.00120.08 C ATOM 25 O PRO 317 6.079 32.431 51.901 1.00120.08 O ATOM 26 N TYR 318 6.288 33.900 53.597 1.00 57.85 N ATOM 27 CA TYR 318 5.143 33.310 54.241 1.00 57.85 C ATOM 28 CB TYR 318 5.388 32.960 55.720 1.00 57.85 C ATOM 29 CG TYR 318 6.487 31.948 55.771 1.00 57.85 C ATOM 30 CD1 TYR 318 6.235 30.607 55.575 1.00 57.85 C ATOM 31 CD2 TYR 318 7.779 32.345 56.023 1.00 57.85 C ATOM 32 CE1 TYR 318 7.255 29.681 55.626 1.00 57.85 C ATOM 33 CE2 TYR 318 8.803 31.429 56.075 1.00 57.85 C ATOM 34 CZ TYR 318 8.542 30.095 55.874 1.00 57.85 C ATOM 35 OH TYR 318 9.596 29.158 55.927 1.00 57.85 O ATOM 36 C TYR 318 3.978 34.246 54.176 1.00 57.85 C ATOM 37 O TYR 318 4.079 35.419 54.527 1.00 57.85 O ATOM 38 N THR 319 2.814 33.724 53.732 1.00101.23 N ATOM 39 CA THR 319 1.662 34.562 53.559 1.00101.23 C ATOM 40 CB THR 319 1.137 34.522 52.151 1.00101.23 C ATOM 41 OG1 THR 319 0.141 35.514 51.962 1.00101.23 O ATOM 42 CG2 THR 319 0.555 33.125 51.881 1.00101.23 C ATOM 43 C THR 319 0.563 34.127 54.483 1.00101.23 C ATOM 44 O THR 319 0.384 32.938 54.746 1.00101.23 O ATOM 45 N CYS 320 -0.188 35.108 55.031 1.00 43.56 N ATOM 46 CA CYS 320 -1.292 34.803 55.900 1.00 43.56 C ATOM 47 CB CYS 320 -1.710 35.966 56.820 1.00 43.56 C ATOM 48 SG CYS 320 -3.110 35.538 57.901 1.00 43.56 S ATOM 49 C CYS 320 -2.475 34.443 55.053 1.00 43.56 C ATOM 50 O CYS 320 -2.774 35.096 54.054 1.00 43.56 O ATOM 51 N THR 321 -3.200 33.380 55.435 1.00107.98 N ATOM 52 CA THR 321 -4.315 32.946 54.639 1.00107.98 C ATOM 53 CB THR 321 -4.916 31.648 55.092 1.00107.98 C ATOM 54 OG1 THR 321 -5.939 31.251 54.190 1.00107.98 O ATOM 55 CG2 THR 321 -5.499 31.823 56.504 1.00107.98 C ATOM 56 C THR 321 -5.419 33.960 54.647 1.00107.98 C ATOM 57 O THR 321 -6.084 34.169 53.632 1.00107.98 O ATOM 58 N HIS 322 -5.700 34.576 55.811 1.00114.92 N ATOM 59 CA HIS 322 -6.814 35.485 55.857 1.00114.92 C ATOM 60 ND1 HIS 322 -7.926 34.925 59.469 1.00114.92 N ATOM 61 CG HIS 322 -7.846 34.900 58.095 1.00114.92 C ATOM 62 CB HIS 322 -7.156 35.951 57.281 1.00114.92 C ATOM 63 NE2 HIS 322 -9.038 33.120 58.796 1.00114.92 N ATOM 64 CD2 HIS 322 -8.529 33.793 57.700 1.00114.92 C ATOM 65 CE1 HIS 322 -8.651 33.837 59.835 1.00114.92 C ATOM 66 C HIS 322 -6.616 36.726 55.032 1.00114.92 C ATOM 67 O HIS 322 -7.366 36.967 54.087 1.00114.92 O ATOM 68 N CYS 323 -5.616 37.558 55.397 1.00 57.03 N ATOM 69 CA CYS 323 -5.346 38.821 54.757 1.00 57.03 C ATOM 70 CB CYS 323 -4.479 39.740 55.633 1.00 57.03 C ATOM 71 SG CYS 323 -2.901 38.968 56.097 1.00 57.03 S ATOM 72 C CYS 323 -4.670 38.657 53.430 1.00 57.03 C ATOM 73 O CYS 323 -4.985 39.361 52.473 1.00 57.03 O ATOM 74 N GLY 324 -3.712 37.714 53.337 1.00 26.27 N ATOM 75 CA GLY 324 -2.987 37.528 52.114 1.00 26.27 C ATOM 76 C GLY 324 -1.705 38.292 52.188 1.00 26.27 C ATOM 77 O GLY 324 -0.952 38.333 51.217 1.00 26.27 O ATOM 78 N LYS 325 -1.417 38.923 53.342 1.00 63.04 N ATOM 79 CA LYS 325 -0.203 39.676 53.456 1.00 63.04 C ATOM 80 CB LYS 325 -0.184 40.629 54.654 1.00 63.04 C ATOM 81 CG LYS 325 1.101 41.444 54.677 1.00 63.04 C ATOM 82 CD LYS 325 1.068 42.633 55.628 1.00 63.04 C ATOM 83 CE LYS 325 2.351 43.457 55.562 1.00 63.04 C ATOM 84 NZ LYS 325 2.291 44.557 56.544 1.00 63.04 N ATOM 85 C LYS 325 0.956 38.733 53.602 1.00 63.04 C ATOM 86 O LYS 325 0.816 37.642 54.154 1.00 63.04 O ATOM 87 N SER 326 2.148 39.135 53.104 1.00 59.52 N ATOM 88 CA SER 326 3.285 38.257 53.184 1.00 59.52 C ATOM 89 CB SER 326 3.992 38.009 51.839 1.00 59.52 C ATOM 90 OG SER 326 3.184 37.205 50.992 1.00 59.52 O ATOM 91 C SER 326 4.304 38.839 54.119 1.00 59.52 C ATOM 92 O SER 326 4.376 40.053 54.306 1.00 59.52 O ATOM 93 N PHE 327 5.126 37.957 54.732 1.00148.28 N ATOM 94 CA PHE 327 6.093 38.371 55.712 1.00148.28 C ATOM 95 CB PHE 327 5.697 37.943 57.139 1.00148.28 C ATOM 96 CG PHE 327 4.466 38.699 57.513 1.00148.28 C ATOM 97 CD1 PHE 327 3.212 38.204 57.230 1.00148.28 C ATOM 98 CD2 PHE 327 4.573 39.919 58.140 1.00148.28 C ATOM 99 CE1 PHE 327 2.082 38.907 57.576 1.00148.28 C ATOM 100 CE2 PHE 327 3.447 40.628 58.490 1.00148.28 C ATOM 101 CZ PHE 327 2.199 40.123 58.206 1.00148.28 C ATOM 102 C PHE 327 7.412 37.725 55.421 1.00148.28 C ATOM 103 O PHE 327 7.486 36.650 54.830 1.00148.28 O ATOM 104 N SER 328 8.503 38.404 55.828 1.00 36.26 N ATOM 105 CA SER 328 9.846 37.929 55.656 1.00 36.26 C ATOM 106 CB SER 328 10.891 39.011 55.979 1.00 36.26 C ATOM 107 OG SER 328 10.812 39.381 57.348 1.00 36.26 O ATOM 108 C SER 328 10.100 36.768 56.574 1.00 36.26 C ATOM 109 O SER 328 10.854 35.859 56.229 1.00 36.26 O ATOM 110 N LYS 329 9.488 36.762 57.778 1.00 90.62 N ATOM 111 CA LYS 329 9.790 35.682 58.678 1.00 90.62 C ATOM 112 CB LYS 329 10.650 36.111 59.882 1.00 90.62 C ATOM 113 CG LYS 329 12.082 36.481 59.482 1.00 90.62 C ATOM 114 CD LYS 329 12.828 35.324 58.809 1.00 90.62 C ATOM 115 CE LYS 329 14.212 35.710 58.285 1.00 90.62 C ATOM 116 NZ LYS 329 14.872 34.540 57.665 1.00 90.62 N ATOM 117 C LYS 329 8.530 35.053 59.193 1.00 90.62 C ATOM 118 O LYS 329 7.480 35.687 59.282 1.00 90.62 O ATOM 119 N SER 330 8.627 33.752 59.534 1.00 27.49 N ATOM 120 CA SER 330 7.519 32.979 60.019 1.00 27.49 C ATOM 121 CB SER 330 7.864 31.496 60.230 1.00 27.49 C ATOM 122 OG SER 330 8.284 30.912 59.006 1.00 27.49 O ATOM 123 C SER 330 7.086 33.512 61.347 1.00 27.49 C ATOM 124 O SER 330 5.893 33.562 61.640 1.00 27.49 O ATOM 125 N SER 331 8.046 33.936 62.188 1.00 67.50 N ATOM 126 CA SER 331 7.696 34.399 63.498 1.00 67.50 C ATOM 127 CB SER 331 8.921 34.822 64.333 1.00 67.50 C ATOM 128 OG SER 331 9.722 33.689 64.643 1.00 67.50 O ATOM 129 C SER 331 6.792 35.586 63.369 1.00 67.50 C ATOM 130 O SER 331 5.802 35.690 64.092 1.00 67.50 O ATOM 131 N SER 332 7.099 36.509 62.437 1.00 68.10 N ATOM 132 CA SER 332 6.314 37.704 62.301 1.00 68.10 C ATOM 133 CB SER 332 6.912 38.706 61.300 1.00 68.10 C ATOM 134 OG SER 332 6.882 38.165 59.988 1.00 68.10 O ATOM 135 C SER 332 4.940 37.348 61.821 1.00 68.10 C ATOM 136 O SER 332 3.952 37.960 62.226 1.00 68.10 O ATOM 137 N LEU 333 4.842 36.333 60.943 1.00100.60 N ATOM 138 CA LEU 333 3.575 35.941 60.398 1.00100.60 C ATOM 139 CB LEU 333 3.714 34.750 59.429 1.00100.60 C ATOM 140 CG LEU 333 2.487 34.435 58.547 1.00100.60 C ATOM 141 CD1 LEU 333 2.731 33.168 57.713 1.00100.60 C ATOM 142 CD2 LEU 333 1.176 34.370 59.343 1.00100.60 C ATOM 143 C LEU 333 2.746 35.493 61.557 1.00100.60 C ATOM 144 O LEU 333 1.564 35.818 61.654 1.00100.60 O ATOM 145 N ASN 334 3.362 34.742 62.485 1.00 73.32 N ATOM 146 CA ASN 334 2.659 34.229 63.624 1.00 73.32 C ATOM 147 CB ASN 334 3.586 33.442 64.567 1.00 73.32 C ATOM 148 CG ASN 334 2.739 32.785 65.646 1.00 73.32 C ATOM 149 OD1 ASN 334 2.224 31.684 65.460 1.00 73.32 O ATOM 150 ND2 ASN 334 2.599 33.471 66.812 1.00 73.32 N ATOM 151 C ASN 334 2.123 35.393 64.392 1.00 73.32 C ATOM 152 O ASN 334 0.966 35.395 64.808 1.00 73.32 O ATOM 153 N GLU 335 2.957 36.434 64.563 1.00 97.25 N ATOM 154 CA GLU 335 2.565 37.593 65.305 1.00 97.25 C ATOM 155 CB GLU 335 3.655 38.676 65.287 1.00 97.25 C ATOM 156 CG GLU 335 3.206 40.031 65.846 1.00 97.25 C ATOM 157 CD GLU 335 3.359 40.008 67.359 1.00 97.25 C ATOM 158 OE1 GLU 335 4.030 39.073 67.872 1.00 97.25 O ATOM 159 OE2 GLU 335 2.818 40.932 68.022 1.00 97.25 O ATOM 160 C GLU 335 1.376 38.167 64.624 1.00 97.25 C ATOM 161 O GLU 335 0.400 38.540 65.271 1.00 97.25 O ATOM 162 N HIS 336 1.423 38.237 63.284 1.00 33.24 N ATOM 163 CA HIS 336 0.307 38.782 62.581 1.00 33.24 C ATOM 164 ND1 HIS 336 -0.470 40.777 59.861 1.00 33.24 N ATOM 165 CG HIS 336 -0.585 39.482 60.316 1.00 33.24 C ATOM 166 CB HIS 336 0.497 38.756 61.057 1.00 33.24 C ATOM 167 NE2 HIS 336 -2.494 40.073 59.273 1.00 33.24 N ATOM 168 CD2 HIS 336 -1.826 39.068 59.949 1.00 33.24 C ATOM 169 CE1 HIS 336 -1.640 41.079 59.245 1.00 33.24 C ATOM 170 C HIS 336 -0.888 37.899 62.916 1.00 33.24 C ATOM 171 O HIS 336 -2.034 38.422 62.896 1.00 33.24 O ATOM 172 OXT HIS 336 -0.670 36.691 63.195 1.00 33.24 O