EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:17:03 REMARK 6 MODELLER OBJECTIVE FUNCTION: 69.5347 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 43.478 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1317.04333 REMARK 6 GA341 score: 0.88817 REMARK 6 Normalized DOPE score: -0.26070 REMARK 6 TEMPLATE: 1llmC01 101:C - 123:C MODELS 1: - 23: AT 43.5% ATOM 1 N GLU 203 -6.364 46.054 45.367 1.00 32.72 N ATOM 2 CA GLU 203 -5.481 47.050 46.020 1.00 32.72 C ATOM 3 CB GLU 203 -6.280 48.329 46.314 1.00 32.72 C ATOM 4 CG GLU 203 -5.429 49.526 46.729 1.00 32.72 C ATOM 5 CD GLU 203 -6.294 50.770 46.571 1.00 32.72 C ATOM 6 OE1 GLU 203 -7.532 50.658 46.769 1.00 32.72 O ATOM 7 OE2 GLU 203 -5.729 51.845 46.237 1.00 32.72 O ATOM 8 C GLU 203 -4.942 46.474 47.287 1.00 32.72 C ATOM 9 O GLU 203 -5.332 45.374 47.676 1.00 32.72 O ATOM 10 N LYS 204 -4.003 47.178 47.954 1.00 92.79 N ATOM 11 CA LYS 204 -3.475 46.609 49.162 1.00 92.79 C ATOM 12 CB LYS 204 -1.940 46.586 49.233 1.00 92.79 C ATOM 13 CG LYS 204 -1.248 45.821 48.101 1.00 92.79 C ATOM 14 CD LYS 204 -1.278 46.569 46.767 1.00 92.79 C ATOM 15 CE LYS 204 -0.313 46.007 45.723 1.00 92.79 C ATOM 16 NZ LYS 204 -0.289 46.893 44.537 1.00 92.79 N ATOM 17 C LYS 204 -3.913 47.459 50.309 1.00 92.79 C ATOM 18 O LYS 204 -3.276 48.460 50.637 1.00 92.79 O ATOM 19 N PRO 205 -4.992 47.079 50.923 1.00 86.71 N ATOM 20 CA PRO 205 -5.490 47.806 52.054 1.00 86.71 C ATOM 21 CD PRO 205 -6.061 46.414 50.200 1.00 86.71 C ATOM 22 CB PRO 205 -6.980 47.461 52.172 1.00 86.71 C ATOM 23 CG PRO 205 -7.172 46.248 51.247 1.00 86.71 C ATOM 24 C PRO 205 -4.730 47.615 53.326 1.00 86.71 C ATOM 25 O PRO 205 -4.911 48.428 54.229 1.00 86.71 O ATOM 26 N PHE 206 -3.896 46.566 53.461 1.00 71.62 N ATOM 27 CA PHE 206 -3.284 46.425 54.751 1.00 71.62 C ATOM 28 CB PHE 206 -3.420 45.023 55.360 1.00 71.62 C ATOM 29 CG PHE 206 -4.849 44.898 55.766 1.00 71.62 C ATOM 30 CD1 PHE 206 -5.801 44.476 54.868 1.00 71.62 C ATOM 31 CD2 PHE 206 -5.236 45.220 57.047 1.00 71.62 C ATOM 32 CE1 PHE 206 -7.119 44.368 55.250 1.00 71.62 C ATOM 33 CE2 PHE 206 -6.552 45.112 57.430 1.00 71.62 C ATOM 34 CZ PHE 206 -7.500 44.688 56.529 1.00 71.62 C ATOM 35 C PHE 206 -1.848 46.807 54.692 1.00 71.62 C ATOM 36 O PHE 206 -1.071 46.268 53.906 1.00 71.62 O ATOM 37 N THR 207 -1.463 47.759 55.565 1.00104.97 N ATOM 38 CA THR 207 -0.115 48.236 55.570 1.00104.97 C ATOM 39 CB THR 207 -0.001 49.721 55.373 0.50104.97 C ATOM 40 OG1 THR 207 -0.634 50.412 56.441 1.00104.97 O ATOM 41 CG2 THR 207 -0.660 50.096 54.035 1.00104.97 C ATOM 42 C THR 207 0.501 47.912 56.889 1.00104.97 C ATOM 43 O THR 207 -0.176 47.881 57.918 1.00104.97 O ATOM 44 N CYS 208 1.819 47.635 56.872 1.00 37.46 N ATOM 45 CA CYS 208 2.519 47.345 58.086 1.00 37.46 C ATOM 46 CB CYS 208 3.800 46.512 57.882 1.00 37.46 C ATOM 47 SG CYS 208 4.672 46.154 59.438 1.00 37.46 S ATOM 48 C CYS 208 2.907 48.669 58.649 1.00 37.46 C ATOM 49 O CYS 208 3.385 49.554 57.941 1.00 37.46 O ATOM 50 N THR 209 2.675 48.840 59.958 1.00 37.38 N ATOM 51 CA THR 209 2.919 50.090 60.608 1.00 37.38 C ATOM 52 CB THR 209 2.466 50.075 62.036 1.00 37.38 C ATOM 53 OG1 THR 209 1.076 49.791 62.103 1.00 37.38 O ATOM 54 CG2 THR 209 2.760 51.447 62.660 1.00 37.38 C ATOM 55 C THR 209 4.378 50.420 60.599 1.00 37.38 C ATOM 56 O THR 209 4.749 51.576 60.399 1.00 37.38 O ATOM 57 N LEU 210 5.250 49.427 60.870 1.00137.77 N ATOM 58 CA LEU 210 6.645 49.756 60.948 1.00137.77 C ATOM 59 CB LEU 210 7.481 48.579 61.503 1.00137.77 C ATOM 60 CG LEU 210 8.981 48.865 61.720 1.00137.77 C ATOM 61 CD1 LEU 210 9.769 48.947 60.403 1.00137.77 C ATOM 62 CD2 LEU 210 9.171 50.107 62.603 1.00137.77 C ATOM 63 C LEU 210 7.207 50.149 59.611 1.00137.77 C ATOM 64 O LEU 210 7.676 51.275 59.445 1.00137.77 O ATOM 65 N CYS 211 7.169 49.224 58.630 1.00 54.12 N ATOM 66 CA CYS 211 7.734 49.447 57.326 1.00 54.12 C ATOM 67 CB CYS 211 7.924 48.138 56.544 1.00 54.12 C ATOM 68 SG CYS 211 6.378 47.204 56.344 1.00 54.12 S ATOM 69 C CYS 211 6.902 50.391 56.507 1.00 54.12 C ATOM 70 O CYS 211 7.440 51.256 55.818 1.00 54.12 O ATOM 71 N GLY 212 5.563 50.256 56.561 1.00 22.68 N ATOM 72 CA GLY 212 4.706 51.116 55.789 1.00 22.68 C ATOM 73 C GLY 212 4.388 50.455 54.481 1.00 22.68 C ATOM 74 O GLY 212 3.740 51.045 53.618 1.00 22.68 O ATOM 75 N LYS 213 4.839 49.199 54.304 1.00 46.21 N ATOM 76 CA LYS 213 4.598 48.465 53.095 1.00 46.21 C ATOM 77 CB LYS 213 5.442 47.183 53.027 1.00 46.21 C ATOM 78 CG LYS 213 5.484 46.519 51.654 1.00 46.21 C ATOM 79 CD LYS 213 6.597 45.479 51.550 1.00 46.21 C ATOM 80 CE LYS 213 6.752 44.884 50.152 1.00 46.21 C ATOM 81 NZ LYS 213 7.993 44.080 50.086 1.00 46.21 N ATOM 82 C LYS 213 3.146 48.081 53.074 1.00 46.21 C ATOM 83 O LYS 213 2.531 47.893 54.123 1.00 46.21 O ATOM 84 N SER 214 2.554 47.966 51.864 1.00 79.41 N ATOM 85 CA SER 214 1.157 47.635 51.750 1.00 79.41 C ATOM 86 CB SER 214 0.395 48.556 50.783 1.00 79.41 C ATOM 87 OG SER 214 0.870 48.364 49.458 1.00 79.41 O ATOM 88 C SER 214 1.041 46.255 51.189 1.00 79.41 C ATOM 89 O SER 214 1.867 45.838 50.379 1.00 79.41 O ATOM 90 N PHE 215 -0.002 45.508 51.613 1.00 57.33 N ATOM 91 CA PHE 215 -0.161 44.164 51.138 1.00 57.33 C ATOM 92 CB PHE 215 0.176 43.101 52.199 1.00 57.33 C ATOM 93 CG PHE 215 1.625 43.223 52.540 1.00 57.33 C ATOM 94 CD1 PHE 215 2.044 44.102 53.515 1.00 57.33 C ATOM 95 CD2 PHE 215 2.568 42.460 51.890 1.00 57.33 C ATOM 96 CE1 PHE 215 3.379 44.212 53.832 1.00 57.33 C ATOM 97 CE2 PHE 215 3.903 42.567 52.205 1.00 57.33 C ATOM 98 CZ PHE 215 4.313 43.447 53.178 1.00 57.33 C ATOM 99 C PHE 215 -1.584 43.942 50.728 1.00 57.33 C ATOM 100 O PHE 215 -2.508 44.542 51.275 1.00 57.33 O ATOM 101 N SER 216 -1.773 43.064 49.721 1.00 79.71 N ATOM 102 CA SER 216 -3.055 42.718 49.180 1.00 79.71 C ATOM 103 CB SER 216 -2.935 41.881 47.898 1.00 79.71 C ATOM 104 OG SER 216 -2.222 42.608 46.909 1.00 79.71 O ATOM 105 C SER 216 -3.819 41.889 50.165 1.00 79.71 C ATOM 106 O SER 216 -5.047 41.952 50.212 1.00 79.71 O ATOM 107 N GLN 217 -3.121 41.068 50.976 1.00 40.33 N ATOM 108 CA GLN 217 -3.860 40.206 51.853 1.00 40.33 C ATOM 109 CB GLN 217 -3.667 38.708 51.548 1.00 40.33 C ATOM 110 CG GLN 217 -4.246 38.295 50.190 1.00 40.33 C ATOM 111 CD GLN 217 -4.007 36.808 49.980 1.00 40.33 C ATOM 112 OE1 GLN 217 -2.891 36.314 50.150 1.00 40.33 O ATOM 113 NE2 GLN 217 -5.084 36.070 49.598 1.00 40.33 N ATOM 114 C GLN 217 -3.461 40.445 53.273 1.00 40.33 C ATOM 115 O GLN 217 -2.300 40.706 53.580 1.00 40.33 O ATOM 116 N SER 218 -4.458 40.356 54.175 1.00 74.19 N ATOM 117 CA SER 218 -4.288 40.593 55.578 1.00 74.19 C ATOM 118 CB SER 218 -5.615 40.491 56.349 1.00 74.19 C ATOM 119 OG SER 218 -6.553 41.423 55.840 1.00 74.19 O ATOM 120 C SER 218 -3.386 39.548 56.148 1.00 74.19 C ATOM 121 O SER 218 -2.508 39.845 56.955 1.00 74.19 O ATOM 122 N SER 219 -3.575 38.284 55.728 1.00 25.33 N ATOM 123 CA SER 219 -2.807 37.216 56.292 1.00 25.33 C ATOM 124 CB SER 219 -3.195 35.836 55.738 1.00 25.33 C ATOM 125 OG SER 219 -2.825 35.744 54.369 1.00 25.33 O ATOM 126 C SER 219 -1.369 37.436 55.962 1.00 25.33 C ATOM 127 O SER 219 -0.494 37.200 56.794 1.00 25.33 O ATOM 128 N SER 220 -1.084 37.905 54.732 1.00 64.37 N ATOM 129 CA SER 220 0.278 38.095 54.326 1.00 64.37 C ATOM 130 CB SER 220 0.432 38.473 52.843 1.00 64.37 C ATOM 131 OG SER 220 -0.110 39.762 52.607 1.00 64.37 O ATOM 132 C SER 220 0.870 39.193 55.149 1.00 64.37 C ATOM 133 O SER 220 2.062 39.178 55.450 1.00 64.37 O ATOM 134 N LEU 221 0.046 40.185 55.533 1.00 36.31 N ATOM 135 CA LEU 221 0.525 41.263 56.347 1.00 36.31 C ATOM 136 CB LEU 221 -0.561 42.302 56.656 0.50 36.31 C ATOM 137 CG LEU 221 -0.069 43.472 57.530 0.50 36.31 C ATOM 138 CD1 LEU 221 0.957 44.342 56.786 0.50 36.31 C ATOM 139 CD2 LEU 221 -1.243 44.276 58.107 0.50 36.31 C ATOM 140 C LEU 221 0.953 40.676 57.654 1.00 36.31 C ATOM 141 O LEU 221 1.974 41.060 58.222 1.00 36.31 O ATOM 142 N ASN 222 0.178 39.695 58.142 1.00 65.02 N ATOM 143 CA ASN 222 0.421 39.084 59.413 1.00 65.02 C ATOM 144 CB ASN 222 -0.596 37.967 59.698 1.00 65.02 C ATOM 145 CG ASN 222 -0.580 37.629 61.180 1.00 65.02 C ATOM 146 OD1 ASN 222 0.476 37.570 61.807 1.00 65.02 O ATOM 147 ND2 ASN 222 -1.791 37.402 61.759 1.00 65.02 N ATOM 148 C ASN 222 1.779 38.455 59.419 1.00 65.02 C ATOM 149 O ASN 222 2.570 38.683 60.334 1.00 65.02 O ATOM 150 N HIS 223 2.103 37.664 58.377 1.00 94.34 N ATOM 151 CA HIS 223 3.373 36.996 58.360 1.00 94.34 C ATOM 152 ND1 HIS 223 5.315 34.370 57.834 1.00 94.34 N ATOM 153 CG HIS 223 4.977 35.501 57.126 1.00 94.34 C ATOM 154 CB HIS 223 3.607 36.120 57.118 1.00 94.34 C ATOM 155 NE2 HIS 223 7.162 35.042 56.794 1.00 94.34 N ATOM 156 CD2 HIS 223 6.117 35.899 56.496 1.00 94.34 C ATOM 157 CE1 HIS 223 6.632 34.139 57.599 1.00 94.34 C ATOM 158 C HIS 223 4.442 38.025 58.343 1.00 94.34 C ATOM 159 O HIS 223 5.434 37.918 59.063 1.00 94.34 O ATOM 160 N HIS 224 4.246 39.070 57.528 1.00 40.56 N ATOM 161 CA HIS 224 5.254 40.072 57.402 1.00 40.56 C ATOM 162 ND1 HIS 224 7.019 42.013 55.449 1.00 40.56 N ATOM 163 CG HIS 224 5.914 42.217 56.244 1.00 40.56 C ATOM 164 CB HIS 224 4.833 41.205 56.453 1.00 40.56 C ATOM 165 NE2 HIS 224 7.213 44.059 56.297 1.00 40.56 N ATOM 166 CD2 HIS 224 6.047 43.473 56.753 1.00 40.56 C ATOM 167 CE1 HIS 224 7.762 43.146 55.517 1.00 40.56 C ATOM 168 C HIS 224 5.490 40.667 58.748 1.00 40.56 C ATOM 169 O HIS 224 6.634 40.806 59.177 1.00 40.56 O ATOM 170 N MET 225 4.407 41.021 59.462 1.00 22.58 N ATOM 171 CA MET 225 4.582 41.603 60.756 1.00 22.58 C ATOM 172 CB MET 225 3.266 42.033 61.429 1.00 22.58 C ATOM 173 CG MET 225 2.611 43.271 60.810 1.00 22.58 C ATOM 174 SD MET 225 1.060 43.768 61.620 1.00 22.58 S ATOM 175 CE MET 225 1.043 45.461 60.969 1.00 22.58 C ATOM 176 C MET 225 5.240 40.569 61.658 1.00 22.58 C ATOM 177 O MET 225 5.619 40.955 62.796 1.00 22.58 O ATOM 178 OXT MET 225 5.373 39.391 61.229 1.00 22.58 O