EXPDTA THEORETICAL MODEL, MODELLER 9.15 2017/03/07 00:05:07 REMARK 6 MODELLER OBJECTIVE FUNCTION: -1167.4197 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 22.727 REMARK 6 SEQUENCE: model REMARK 6 DOPE score: -1167.41968 REMARK 6 GA341 score: 0.15873 REMARK 6 Normalized DOPE score: -0.23117 REMARK 6 TEMPLATE: 2w86A01 ATOM 1 N TYR 1060 21.033 16.865 35.761 1.00 84.61 N ATOM 2 CA TYR 1060 21.661 18.202 35.765 1.00 84.61 C ATOM 3 CB TYR 1060 20.589 19.273 35.969 1.00 84.61 C ATOM 4 CG TYR 1060 19.779 18.903 37.164 1.00 84.61 C ATOM 5 CD1 TYR 1060 20.311 18.961 38.427 1.00 84.61 C ATOM 6 CD2 TYR 1060 18.461 18.533 37.030 1.00 84.61 C ATOM 7 CE1 TYR 1060 19.555 18.632 39.529 1.00 84.61 C ATOM 8 CE2 TYR 1060 17.694 18.203 38.127 1.00 84.61 C ATOM 9 CZ TYR 1060 18.247 18.240 39.385 1.00 84.61 C ATOM 10 OH TYR 1060 17.488 17.906 40.529 1.00 84.61 O ATOM 11 C TYR 1060 22.725 18.336 36.801 1.00 84.61 C ATOM 12 O TYR 1060 23.191 17.336 37.348 1.00 84.61 O ATOM 13 N MET 1061 23.152 19.577 37.094 1.00 87.28 N ATOM 14 CA MET 1061 24.243 19.691 38.010 1.00 87.28 C ATOM 15 CB MET 1061 25.593 19.843 37.299 1.00 87.28 C ATOM 16 CG MET 1061 25.538 20.643 36.000 1.00 87.28 C ATOM 17 SD MET 1061 27.179 20.998 35.324 1.00 87.28 S ATOM 18 CE MET 1061 27.813 19.353 35.777 1.00 87.28 C ATOM 19 C MET 1061 24.055 20.859 38.909 1.00 87.28 C ATOM 20 O MET 1061 23.395 21.834 38.567 1.00 87.28 O ATOM 21 N CYS 1062 24.624 20.772 40.128 1.00 97.74 N ATOM 22 CA CYS 1062 24.509 21.910 40.982 1.00 97.74 C ATOM 23 CB CYS 1062 23.950 21.634 42.386 1.00 97.74 C ATOM 24 SG CYS 1062 25.234 21.192 43.597 1.00 97.74 S ATOM 25 C CYS 1062 25.894 22.421 41.198 1.00 97.74 C ATOM 26 O CYS 1062 26.856 21.652 41.262 1.00 97.74 O ATOM 27 N SER 1063 26.024 23.758 41.276 1.00 44.88 N ATOM 28 CA SER 1063 27.270 24.378 41.593 1.00 44.88 C ATOM 29 CB SER 1063 27.664 25.524 40.640 1.00 44.88 C ATOM 30 OG SER 1063 26.750 26.607 40.755 1.00 44.88 O ATOM 31 C SER 1063 27.008 24.957 42.937 1.00 44.88 C ATOM 32 O SER 1063 25.874 25.328 43.235 1.00 44.88 O ATOM 33 N CYS 1064 28.016 25.038 43.815 1.00 49.08 N ATOM 34 CA CYS 1064 27.654 25.489 45.122 1.00 49.08 C ATOM 35 CB CYS 1064 28.173 24.544 46.217 1.00 49.08 C ATOM 36 SG CYS 1064 27.444 22.882 46.065 1.00 49.08 S ATOM 37 C CYS 1064 28.174 26.879 45.338 1.00 49.08 C ATOM 38 O CYS 1064 29.209 27.272 44.802 1.00 49.08 O ATOM 39 N HIS 1065 27.415 27.654 46.134 1.00108.95 N ATOM 40 CA HIS 1065 27.680 29.022 46.469 1.00108.95 C ATOM 41 ND1 HIS 1065 24.794 30.878 45.728 1.00108.95 N ATOM 42 CG HIS 1065 25.229 29.762 46.410 1.00108.95 C ATOM 43 CB HIS 1065 26.504 29.692 47.208 1.00108.95 C ATOM 44 NE2 HIS 1065 23.281 29.288 45.370 1.00108.95 N ATOM 45 CD2 HIS 1065 24.290 28.803 46.183 1.00108.95 C ATOM 46 CE1 HIS 1065 23.626 30.539 45.125 1.00108.95 C ATOM 47 C HIS 1065 28.859 29.042 47.384 1.00108.95 C ATOM 48 O HIS 1065 29.277 28.015 47.914 1.00108.95 O ATOM 49 N LYS 1066 29.458 30.234 47.554 1.00276.27 N ATOM 50 CA LYS 1066 30.583 30.349 48.425 1.00276.27 C ATOM 51 CB LYS 1066 31.127 31.785 48.541 1.00276.27 C ATOM 52 CG LYS 1066 32.253 31.967 49.561 1.00276.27 C ATOM 53 CD LYS 1066 33.590 31.346 49.168 1.00276.27 C ATOM 54 CE LYS 1066 34.593 31.385 50.317 1.00276.27 C ATOM 55 NZ LYS 1066 35.902 30.896 49.853 1.00276.27 N ATOM 56 C LYS 1066 30.146 29.936 49.785 1.00276.27 C ATOM 57 O LYS 1066 29.054 30.268 50.240 1.00276.27 O ATOM 58 N GLY 1067 31.003 29.145 50.453 1.00229.25 N ATOM 59 CA GLY 1067 30.728 28.761 51.799 1.00229.25 C ATOM 60 C GLY 1067 29.950 27.496 51.807 1.00229.25 C ATOM 61 O GLY 1067 29.456 27.094 52.859 1.00229.25 O ATOM 62 N TYR 1068 29.784 26.853 50.634 1.00102.50 N ATOM 63 CA TYR 1068 29.084 25.598 50.553 1.00102.50 C ATOM 64 CB TYR 1068 27.764 25.677 49.759 1.00102.50 C ATOM 65 CG TYR 1068 26.701 26.368 50.541 1.00102.50 C ATOM 66 CD1 TYR 1068 26.880 27.628 51.062 1.00102.50 C ATOM 67 CD2 TYR 1068 25.484 25.748 50.702 1.00102.50 C ATOM 68 CE1 TYR 1068 25.866 28.238 51.768 1.00102.50 C ATOM 69 CE2 TYR 1068 24.466 26.346 51.402 1.00102.50 C ATOM 70 CZ TYR 1068 24.663 27.596 51.936 1.00102.50 C ATOM 71 OH TYR 1068 23.630 28.229 52.656 1.00102.50 O ATOM 72 C TYR 1068 29.935 24.677 49.735 1.00102.50 C ATOM 73 O TYR 1068 30.662 25.131 48.856 1.00102.50 O ATOM 74 N THR 1069 29.883 23.353 49.991 1.00108.83 N ATOM 75 CA THR 1069 30.617 22.448 49.147 1.00108.83 C ATOM 76 CB THR 1069 31.806 21.805 49.793 1.00108.83 C ATOM 77 OG1 THR 1069 32.630 21.179 48.821 1.00108.83 O ATOM 78 CG2 THR 1069 31.299 20.761 50.799 1.00108.83 C ATOM 79 C THR 1069 29.672 21.348 48.761 1.00108.83 C ATOM 80 O THR 1069 28.542 21.274 49.241 1.00108.83 O ATOM 81 N ARG 1070 30.109 20.471 47.843 1.00 98.53 N ATOM 82 CA ARG 1070 29.281 19.389 47.396 1.00 98.53 C ATOM 83 CB ARG 1070 29.637 18.919 45.988 1.00 98.53 C ATOM 84 CG ARG 1070 29.381 19.956 44.902 1.00 98.53 C ATOM 85 CD ARG 1070 30.018 19.532 43.590 1.00 98.53 C ATOM 86 NE ARG 1070 29.818 20.605 42.587 1.00 98.53 N ATOM 87 CZ ARG 1070 30.907 21.257 42.087 1.00 98.53 C ATOM 88 NH1 ARG 1070 32.146 21.047 42.622 1.00 98.53 N ATOM 89 NH2 ARG 1070 30.747 22.120 41.043 1.00 98.53 N ATOM 90 C ARG 1070 29.456 18.200 48.283 1.00 98.53 C ATOM 91 O ARG 1070 30.526 17.958 48.837 1.00 98.53 O ATOM 92 N THR 1071 28.356 17.438 48.432 1.00 52.41 N ATOM 93 CA THR 1071 28.324 16.203 49.149 1.00 52.41 C ATOM 94 CB THR 1071 26.985 15.978 49.778 1.00 52.41 C ATOM 95 OG1 THR 1071 25.960 16.160 48.811 1.00 52.41 O ATOM 96 CG2 THR 1071 26.837 16.982 50.932 1.00 52.41 C ATOM 97 C THR 1071 28.633 15.114 48.167 1.00 52.41 C ATOM 98 O THR 1071 28.702 15.354 46.962 1.00 52.41 O ATOM 99 N PRO 1072 28.866 13.924 48.662 1.00 60.66 N ATOM 100 CA PRO 1072 29.212 12.793 47.848 1.00 60.66 C ATOM 101 CD PRO 1072 28.986 13.653 50.087 1.00 60.66 C ATOM 102 CB PRO 1072 29.366 11.626 48.824 1.00 60.66 C ATOM 103 CG PRO 1072 29.687 12.287 50.178 1.00 60.66 C ATOM 104 C PRO 1072 28.144 12.551 46.833 1.00 60.66 C ATOM 105 O PRO 1072 28.452 12.248 45.682 1.00 60.66 O ATOM 106 N ASP 1073 26.873 12.651 47.259 1.00103.59 N ATOM 107 CA ASP 1073 25.762 12.493 46.370 1.00103.59 C ATOM 108 CB ASP 1073 24.413 12.281 47.096 1.00103.59 C ATOM 109 CG ASP 1073 24.172 13.354 48.152 1.00103.59 C ATOM 110 OD1 ASP 1073 25.019 13.488 49.076 1.00103.59 O ATOM 111 OD2 ASP 1073 23.117 14.031 48.070 1.00103.59 O ATOM 112 C ASP 1073 25.727 13.675 45.456 1.00103.59 C ATOM 113 O ASP 1073 25.262 13.584 44.324 1.00103.59 O ATOM 114 N HIS 1074 26.259 14.818 45.924 1.00 84.15 N ATOM 115 CA HIS 1074 26.271 16.038 45.160 1.00 84.15 C ATOM 116 ND1 HIS 1074 29.261 16.105 43.264 1.00 84.15 N ATOM 117 CG HIS 1074 28.155 15.333 43.543 1.00 84.15 C ATOM 118 CB HIS 1074 26.768 15.866 43.718 1.00 84.15 C ATOM 119 NE2 HIS 1074 29.943 13.989 43.261 1.00 84.15 N ATOM 120 CD2 HIS 1074 28.591 14.044 43.544 1.00 84.15 C ATOM 121 CE1 HIS 1074 30.302 15.251 43.101 1.00 84.15 C ATOM 122 C HIS 1074 24.866 16.499 45.001 1.00 84.15 C ATOM 123 O HIS 1074 24.566 17.325 44.138 1.00 84.15 O ATOM 124 N LYS 1075 23.955 15.937 45.804 1.00 95.38 N ATOM 125 CA LYS 1075 22.617 16.418 45.728 1.00 95.38 C ATOM 126 CB LYS 1075 21.586 15.457 46.325 1.00 95.38 C ATOM 127 CG LYS 1075 20.131 15.766 45.984 1.00 95.38 C ATOM 128 CD LYS 1075 19.235 14.556 46.247 1.00 95.38 C ATOM 129 CE LYS 1075 17.735 14.798 46.073 1.00 95.38 C ATOM 130 NZ LYS 1075 16.988 13.557 46.398 1.00 95.38 N ATOM 131 C LYS 1075 22.541 17.724 46.432 1.00 95.38 C ATOM 132 O LYS 1075 21.852 18.633 45.974 1.00 95.38 O ATOM 133 N HIS 1076 23.243 17.864 47.574 1.00 88.56 N ATOM 134 CA HIS 1076 23.141 19.131 48.221 1.00 88.56 C ATOM 135 ND1 HIS 1076 20.093 17.865 49.605 1.00 88.56 N ATOM 136 CG HIS 1076 20.819 18.983 49.262 1.00 88.56 C ATOM 137 CB HIS 1076 22.298 19.141 49.514 1.00 88.56 C ATOM 138 NE2 HIS 1076 18.659 19.270 48.649 1.00 88.56 N ATOM 139 CD2 HIS 1076 19.925 19.832 48.679 1.00 88.56 C ATOM 140 CE1 HIS 1076 18.810 18.089 49.218 1.00 88.56 C ATOM 141 C HIS 1076 24.491 19.657 48.541 1.00 88.56 C ATOM 142 O HIS 1076 25.499 18.946 48.520 1.00 88.56 O ATOM 143 N CYS 1077 24.513 20.974 48.823 1.00 45.57 N ATOM 144 CA CYS 1077 25.729 21.636 49.164 1.00 45.57 C ATOM 145 CB CYS 1077 25.826 23.065 48.600 1.00 45.57 C ATOM 146 SG CYS 1077 25.571 23.117 46.802 1.00 45.57 S ATOM 147 C CYS 1077 25.701 21.761 50.648 1.00 45.57 C ATOM 148 O CYS 1077 24.797 22.376 51.208 1.00 45.57 O ATOM 149 N ARG 1078 26.683 21.159 51.341 1.00144.76 N ATOM 150 CA ARG 1078 26.650 21.288 52.762 1.00144.76 C ATOM 151 CB ARG 1078 27.471 20.249 53.526 1.00144.76 C ATOM 152 CG ARG 1078 27.427 20.516 55.024 1.00144.76 C ATOM 153 CD ARG 1078 28.491 19.733 55.768 1.00144.76 C ATOM 154 NE ARG 1078 29.791 20.113 55.155 1.00144.76 N ATOM 155 CZ ARG 1078 30.930 19.716 55.786 1.00144.76 C ATOM 156 NH1 ARG 1078 30.823 19.046 56.970 1.00144.76 N ATOM 157 NH2 ARG 1078 32.158 19.985 55.256 1.00144.76 N ATOM 158 C ARG 1078 27.181 22.628 53.126 1.00144.76 C ATOM 159 O ARG 1078 28.038 23.187 52.445 1.00144.76 O ATOM 160 N ASP 1079 26.652 23.186 54.221 0.50 80.47 N ATOM 161 CA ASP 1079 27.107 24.472 54.627 0.50 80.47 C ATOM 162 CB ASP 1079 26.301 25.017 55.802 0.50 80.47 C ATOM 163 CG ASP 1079 24.856 25.122 55.344 0.50 80.47 C ATOM 164 OD1 ASP 1079 24.137 24.090 55.432 1.00 80.47 O ATOM 165 OD2 ASP 1079 24.449 26.234 54.915 1.00 80.47 O ATOM 166 C ASP 1079 28.494 24.259 55.099 0.50 80.47 C ATOM 167 O ASP 1079 28.778 23.266 55.774 0.50 80.47 O ATOM 168 N ILE 1080 29.402 25.188 54.762 1.00276.40 N ATOM 169 CA ILE 1080 30.744 24.950 55.173 1.00276.40 C ATOM 170 CB ILE 1080 31.658 24.410 54.114 1.00276.40 C ATOM 171 CG1 ILE 1080 31.889 25.438 53.002 1.00276.40 C ATOM 172 CG2 ILE 1080 31.079 23.073 53.627 1.00276.40 C ATOM 173 CD1 ILE 1080 33.087 25.086 52.121 1.00276.40 C ATOM 174 C ILE 1080 31.328 26.232 55.622 1.00276.40 C ATOM 175 O ILE 1080 30.778 27.313 55.421 1.00276.40 O ATOM 176 N ASP 1081 32.477 26.114 56.298 1.00109.24 N ATOM 177 CA ASP 1081 33.142 27.283 56.761 1.00109.24 C ATOM 178 CB ASP 1081 34.322 26.978 57.690 1.00109.24 C ATOM 179 CG ASP 1081 35.038 28.289 57.952 1.00109.24 C ATOM 180 OD1 ASP 1081 35.968 28.623 57.174 1.00109.24 O ATOM 181 OD2 ASP 1081 34.672 28.972 58.945 1.00109.24 O ATOM 182 C ASP 1081 33.705 27.994 55.553 1.00109.24 C ATOM 183 O ASP 1081 33.398 29.200 55.367 1.00109.24 O ATOM 184 OXT ASP 1081 34.473 27.331 54.807 1.00109.24 O