EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:39 REMARK 6 MODELLER OBJECTIVE FUNCTION: 120.1303 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1771.22021 REMARK 6 GA341 score: 0.85303 REMARK 6 Normalized DOPE score: -0.29445 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 56.0% ATOM 1 N GLU 91 -3.489 18.673 43.273 1.00 46.31 N ATOM 2 CA GLU 91 -4.125 20.011 43.272 1.00 46.31 C ATOM 3 CB GLU 91 -5.347 19.987 42.318 1.00 46.31 C ATOM 4 CG GLU 91 -5.970 21.352 41.991 1.00 46.31 C ATOM 5 CD GLU 91 -6.928 21.178 40.810 1.00 46.31 C ATOM 6 OE1 GLU 91 -6.661 20.289 39.960 1.00 46.31 O ATOM 7 OE2 GLU 91 -7.941 21.926 40.748 1.00 46.31 O ATOM 8 C GLU 91 -4.527 20.332 44.678 1.00 46.31 C ATOM 9 O GLU 91 -4.218 19.577 45.599 1.00 46.31 O ATOM 10 N LYS 92 -5.182 21.489 44.899 1.00115.64 N ATOM 11 CA LYS 92 -5.607 21.826 46.230 1.00115.64 C ATOM 12 CB LYS 92 -5.424 23.311 46.581 1.00115.64 C ATOM 13 CG LYS 92 -3.982 23.808 46.680 1.00115.64 C ATOM 14 CD LYS 92 -3.285 24.004 45.333 1.00115.64 C ATOM 15 CE LYS 92 -1.983 24.809 45.427 1.00115.64 C ATOM 16 NZ LYS 92 -2.273 26.234 45.715 1.00115.64 N ATOM 17 C LYS 92 -7.088 21.615 46.276 1.00115.64 C ATOM 18 O LYS 92 -7.855 22.439 45.779 1.00115.64 O ATOM 19 N PRO 93 -7.508 20.529 46.858 1.00123.31 N ATOM 20 CA PRO 93 -8.909 20.220 46.926 1.00123.31 C ATOM 21 CD PRO 93 -6.693 19.330 46.918 1.00123.31 C ATOM 22 CB PRO 93 -9.011 18.713 47.164 1.00123.31 C ATOM 23 CG PRO 93 -7.596 18.284 47.585 1.00123.31 C ATOM 24 C PRO 93 -9.700 21.023 47.905 1.00123.31 C ATOM 25 O PRO 93 -10.927 21.033 47.807 1.00123.31 O ATOM 26 N PHE 94 -9.042 21.683 48.873 1.00 67.54 N ATOM 27 CA PHE 94 -9.816 22.382 49.851 1.00 67.54 C ATOM 28 CB PHE 94 -9.301 22.182 51.282 1.00 67.54 C ATOM 29 CG PHE 94 -9.600 20.760 51.613 1.00 67.54 C ATOM 30 CD1 PHE 94 -10.904 20.379 51.847 1.00 67.54 C ATOM 31 CD2 PHE 94 -8.605 19.814 51.710 1.00 67.54 C ATOM 32 CE1 PHE 94 -11.227 19.078 52.160 1.00 67.54 C ATOM 33 CE2 PHE 94 -8.921 18.512 52.024 1.00 67.54 C ATOM 34 CZ PHE 94 -10.226 18.141 52.249 1.00 67.54 C ATOM 35 C PHE 94 -9.818 23.841 49.526 1.00 67.54 C ATOM 36 O PHE 94 -8.785 24.507 49.546 1.00 67.54 O ATOM 37 N THR 95 -11.022 24.377 49.237 1.00105.38 N ATOM 38 CA THR 95 -11.172 25.745 48.831 1.00105.38 C ATOM 39 CB THR 95 -11.970 25.869 47.562 1.00105.38 C ATOM 40 OG1 THR 95 -12.017 27.212 47.105 1.00105.38 O ATOM 41 CG2 THR 95 -13.391 25.350 47.833 1.00105.38 C ATOM 42 C THR 95 -11.912 26.495 49.894 1.00105.38 C ATOM 43 O THR 95 -12.883 25.999 50.464 1.00105.38 O ATOM 44 N CYS 96 -11.438 27.727 50.185 1.00 44.78 N ATOM 45 CA CYS 96 -12.043 28.577 51.175 1.00 44.78 C ATOM 46 CB CYS 96 -11.081 29.649 51.730 1.00 44.78 C ATOM 47 SG CYS 96 -11.840 30.671 53.030 1.00 44.78 S ATOM 48 C CYS 96 -13.200 29.277 50.537 1.00 44.78 C ATOM 49 O CYS 96 -13.078 29.854 49.458 1.00 44.78 O ATOM 50 N ALA 97 -14.365 29.248 51.209 1.00 41.99 N ATOM 51 CA ALA 97 -15.549 29.844 50.665 1.00 41.99 C ATOM 52 CB ALA 97 -16.782 29.588 51.545 1.00 41.99 C ATOM 53 C ALA 97 -15.389 31.333 50.515 1.00 41.99 C ATOM 54 O ALA 97 -15.811 31.895 49.503 1.00 41.99 O ATOM 55 N GLN 98 -14.816 32.030 51.522 1.00155.09 N ATOM 56 CA GLN 98 -14.767 33.466 51.414 1.00155.09 C ATOM 57 CB GLN 98 -14.286 34.151 52.706 1.00155.09 C ATOM 58 CG GLN 98 -15.317 34.101 53.829 1.00155.09 C ATOM 59 CD GLN 98 -16.467 35.001 53.392 1.00155.09 C ATOM 60 OE1 GLN 98 -17.636 34.708 53.626 1.00155.09 O ATOM 61 NE2 GLN 98 -16.126 36.135 52.724 1.00155.09 N ATOM 62 C GLN 98 -13.847 33.958 50.339 1.00155.09 C ATOM 63 O GLN 98 -14.297 34.577 49.376 1.00155.09 O ATOM 64 N CYS 99 -12.533 33.686 50.504 1.00 62.75 N ATOM 65 CA CYS 99 -11.485 34.148 49.628 1.00 62.75 C ATOM 66 CB CYS 99 -10.107 34.176 50.312 1.00 62.75 C ATOM 67 SG CYS 99 -9.577 32.555 50.927 1.00 62.75 S ATOM 68 C CYS 99 -11.374 33.363 48.356 1.00 62.75 C ATOM 69 O CYS 99 -11.140 33.926 47.288 1.00 62.75 O ATOM 70 N GLY 100 -11.546 32.032 48.428 1.00 29.58 N ATOM 71 CA GLY 100 -11.384 31.244 47.244 1.00 29.58 C ATOM 72 C GLY 100 -9.986 30.697 47.210 1.00 29.58 C ATOM 73 O GLY 100 -9.575 30.110 46.210 1.00 29.58 O ATOM 74 N LYS 101 -9.213 30.891 48.301 1.00 78.62 N ATOM 75 CA LYS 101 -7.866 30.388 48.386 1.00 78.62 C ATOM 76 CB LYS 101 -7.059 31.072 49.507 1.00 78.62 C ATOM 77 CG LYS 101 -5.577 30.703 49.534 1.00 78.62 C ATOM 78 CD LYS 101 -4.685 31.735 50.235 1.00 78.62 C ATOM 79 CE LYS 101 -3.294 31.189 50.561 1.00 78.62 C ATOM 80 NZ LYS 101 -2.272 32.252 50.446 1.00 78.62 N ATOM 81 C LYS 101 -7.917 28.900 48.616 1.00 78.62 C ATOM 82 O LYS 101 -8.710 28.408 49.420 1.00 78.62 O ATOM 83 N SER 102 -7.046 28.137 47.913 1.00 56.26 N ATOM 84 CA SER 102 -7.111 26.702 47.986 1.00 56.26 C ATOM 85 CB SER 102 -7.078 26.023 46.607 1.00 56.26 C ATOM 86 OG SER 102 -8.163 26.477 45.813 1.00 56.26 O ATOM 87 C SER 102 -5.931 26.183 48.740 1.00 56.26 C ATOM 88 O SER 102 -4.864 26.796 48.761 1.00 56.26 O ATOM 89 N PHE 103 -6.112 25.011 49.390 1.00162.72 N ATOM 90 CA PHE 103 -5.058 24.431 50.175 1.00162.72 C ATOM 91 CB PHE 103 -5.265 24.555 51.690 1.00162.72 C ATOM 92 CG PHE 103 -5.028 25.973 52.066 1.00162.72 C ATOM 93 CD1 PHE 103 -6.013 26.920 51.927 1.00162.72 C ATOM 94 CD2 PHE 103 -3.799 26.354 52.552 1.00162.72 C ATOM 95 CE1 PHE 103 -5.768 28.226 52.273 1.00162.72 C ATOM 96 CE2 PHE 103 -3.551 27.659 52.903 1.00162.72 C ATOM 97 CZ PHE 103 -4.542 28.599 52.767 1.00162.72 C ATOM 98 C PHE 103 -4.956 22.967 49.903 1.00162.72 C ATOM 99 O PHE 103 -5.935 22.290 49.589 1.00162.72 O ATOM 100 N ASN 104 -3.715 22.461 49.999 1.00111.23 N ATOM 101 CA ASN 104 -3.420 21.074 49.837 1.00111.23 C ATOM 102 CB ASN 104 -1.911 20.776 49.752 1.00111.23 C ATOM 103 CG ASN 104 -1.757 19.336 49.273 1.00111.23 C ATOM 104 OD1 ASN 104 -1.312 18.460 50.012 1.00111.23 O ATOM 105 ND2 ASN 104 -2.150 19.081 47.995 1.00111.23 N ATOM 106 C ASN 104 -3.949 20.336 51.024 1.00111.23 C ATOM 107 O ASN 104 -4.382 19.194 50.892 1.00111.23 O ATOM 108 N CYS 105 -3.929 20.962 52.222 1.00 88.14 N ATOM 109 CA CYS 105 -4.272 20.233 53.417 1.00 88.14 C ATOM 110 CB CYS 105 -3.121 20.248 54.446 1.00 88.14 C ATOM 111 SG CYS 105 -3.390 19.186 55.898 1.00 88.14 S ATOM 112 C CYS 105 -5.506 20.794 54.070 1.00 88.14 C ATOM 113 O CYS 105 -5.727 22.005 54.117 1.00 88.14 O ATOM 114 N SER 106 -6.346 19.877 54.592 1.00 79.87 N ATOM 115 CA SER 106 -7.608 20.161 55.210 1.00 79.87 C ATOM 116 CB SER 106 -8.327 18.877 55.641 1.00 79.87 C ATOM 117 OG SER 106 -9.500 19.197 56.372 1.00 79.87 O ATOM 118 C SER 106 -7.435 20.994 56.441 1.00 79.87 C ATOM 119 O SER 106 -8.115 22.002 56.617 1.00 79.87 O ATOM 120 N ALA 107 -6.512 20.602 57.336 1.00 30.79 N ATOM 121 CA ALA 107 -6.375 21.296 58.584 1.00 30.79 C ATOM 122 CB ALA 107 -5.352 20.651 59.537 1.00 30.79 C ATOM 123 C ALA 107 -5.956 22.704 58.313 1.00 30.79 C ATOM 124 O ALA 107 -6.407 23.638 58.973 1.00 30.79 O ATOM 125 N ASN 108 -5.080 22.891 57.314 1.00 53.41 N ATOM 126 CA ASN 108 -4.594 24.196 56.991 1.00 53.41 C ATOM 127 CB ASN 108 -3.566 24.149 55.855 1.00 53.41 C ATOM 128 CG ASN 108 -2.344 23.437 56.411 1.00 53.41 C ATOM 129 OD1 ASN 108 -1.986 22.348 55.963 1.00 53.41 O ATOM 130 ND2 ASN 108 -1.695 24.065 57.427 1.00 53.41 N ATOM 131 C ASN 108 -5.755 25.049 56.568 1.00 53.41 C ATOM 132 O ASN 108 -5.836 26.226 56.914 1.00 53.41 O ATOM 133 N LEU 109 -6.700 24.473 55.807 1.00116.00 N ATOM 134 CA LEU 109 -7.837 25.213 55.341 1.00116.00 C ATOM 135 CB LEU 109 -8.685 24.351 54.380 1.00116.00 C ATOM 136 CG LEU 109 -9.933 25.019 53.777 1.00116.00 C ATOM 137 CD1 LEU 109 -11.086 25.118 54.787 1.00116.00 C ATOM 138 CD2 LEU 109 -9.577 26.366 53.133 1.00116.00 C ATOM 139 C LEU 109 -8.653 25.651 56.533 1.00116.00 C ATOM 140 O LEU 109 -9.082 26.803 56.616 1.00116.00 O ATOM 141 N TYR 110 -8.848 24.760 57.526 1.00133.94 N ATOM 142 CA TYR 110 -9.680 25.082 58.658 1.00133.94 C ATOM 143 CB TYR 110 -9.902 23.893 59.610 1.00133.94 C ATOM 144 CG TYR 110 -11.010 24.256 60.539 1.00133.94 C ATOM 145 CD1 TYR 110 -12.310 24.252 60.082 1.00133.94 C ATOM 146 CD2 TYR 110 -10.772 24.571 61.857 1.00133.94 C ATOM 147 CE1 TYR 110 -13.356 24.574 60.913 1.00133.94 C ATOM 148 CE2 TYR 110 -11.816 24.894 62.693 1.00133.94 C ATOM 149 CZ TYR 110 -13.107 24.900 62.224 1.00133.94 C ATOM 150 OH TYR 110 -14.169 25.235 63.090 1.00133.94 O ATOM 151 C TYR 110 -9.061 26.210 59.430 1.00133.94 C ATOM 152 O TYR 110 -9.758 27.121 59.877 1.00133.94 O ATOM 153 N LYS 111 -7.726 26.184 59.604 1.00 55.24 N ATOM 154 CA LYS 111 -7.051 27.223 60.337 1.00 55.24 C ATOM 155 CB LYS 111 -5.524 27.061 60.352 1.00 55.24 C ATOM 156 CG LYS 111 -5.004 25.776 60.993 1.00 55.24 C ATOM 157 CD LYS 111 -3.540 25.506 60.632 1.00 55.24 C ATOM 158 CE LYS 111 -2.999 24.166 61.129 1.00 55.24 C ATOM 159 NZ LYS 111 -2.465 24.298 62.502 1.00 55.24 N ATOM 160 C LYS 111 -7.276 28.512 59.612 1.00 55.24 C ATOM 161 O LYS 111 -7.506 29.559 60.216 1.00 55.24 O ATOM 162 N HIS 112 -7.223 28.436 58.273 1.00 58.27 N ATOM 163 CA HIS 112 -7.343 29.566 57.409 1.00 58.27 C ATOM 164 ND1 HIS 112 -6.153 31.234 54.996 1.00 58.27 N ATOM 165 CG HIS 112 -7.197 30.337 55.016 1.00 58.27 C ATOM 166 CB HIS 112 -7.253 29.156 55.930 1.00 58.27 C ATOM 167 NE2 HIS 112 -7.610 31.919 53.464 1.00 58.27 N ATOM 168 CD2 HIS 112 -8.080 30.769 54.074 1.00 58.27 C ATOM 169 CE1 HIS 112 -6.452 32.160 54.051 1.00 58.27 C ATOM 170 C HIS 112 -8.673 30.206 57.639 1.00 58.27 C ATOM 171 O HIS 112 -8.775 31.431 57.703 1.00 58.27 O ATOM 172 N MET 113 -9.728 29.392 57.804 1.00 45.49 N ATOM 173 CA MET 113 -11.054 29.907 57.979 1.00 45.49 C ATOM 174 CB MET 113 -12.134 28.812 58.084 1.00 45.49 C ATOM 175 CG MET 113 -12.293 27.975 56.809 1.00 45.49 C ATOM 176 SD MET 113 -13.771 26.913 56.752 1.00 45.49 S ATOM 177 CE MET 113 -14.845 28.232 56.115 1.00 45.49 C ATOM 178 C MET 113 -11.100 30.726 59.235 1.00 45.49 C ATOM 179 O MET 113 -11.835 31.710 59.303 1.00 45.49 O ATOM 180 N ARG 114 -10.314 30.347 60.265 1.00 62.39 N ATOM 181 CA ARG 114 -10.378 31.068 61.504 1.00 62.39 C ATOM 182 CB ARG 114 -9.394 30.584 62.594 1.00 62.39 C ATOM 183 CG ARG 114 -9.772 29.241 63.220 1.00 62.39 C ATOM 184 CD ARG 114 -9.181 29.005 64.613 1.00 62.39 C ATOM 185 NE ARG 114 -7.710 28.817 64.480 1.00 62.39 N ATOM 186 CZ ARG 114 -6.953 28.589 65.594 1.00 62.39 C ATOM 187 NH1 ARG 114 -7.539 28.554 66.826 1.00 62.39 N ATOM 188 NH2 ARG 114 -5.609 28.378 65.464 1.00 62.39 N ATOM 189 C ARG 114 -10.063 32.506 61.238 1.00 62.39 C ATOM 190 O ARG 114 -10.733 33.386 61.772 1.00 62.39 O ATOM 191 N ILE 115 -9.048 32.797 60.396 1.00112.44 N ATOM 192 CA ILE 115 -8.751 34.184 60.177 1.00112.44 C ATOM 193 CB ILE 115 -7.432 34.437 59.491 1.00112.44 C ATOM 194 CG1 ILE 115 -7.115 35.940 59.541 1.00112.44 C ATOM 195 CG2 ILE 115 -7.415 33.805 58.088 1.00112.44 C ATOM 196 CD1 ILE 115 -6.851 36.443 60.959 1.00112.44 C ATOM 197 C ILE 115 -9.883 34.866 59.396 1.00112.44 C ATOM 198 O ILE 115 -10.665 35.595 60.062 1.00112.44 O ATOM 199 OXT ILE 115 -9.999 34.676 58.154 1.00112.44 O