EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:18:14 REMARK 6 MODELLER OBJECTIVE FUNCTION: 94.6581 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1438.09546 REMARK 6 GA341 score: 0.99707 REMARK 6 Normalized DOPE score: -0.47195 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 56.0% ATOM 1 N GLU 91 -25.923 31.247 38.992 1.00 49.36 N ATOM 2 CA GLU 91 -25.389 30.210 39.895 1.00 49.36 C ATOM 3 CB GLU 91 -24.457 29.257 39.128 1.00 49.36 C ATOM 4 CG GLU 91 -23.217 29.962 38.570 1.00 49.36 C ATOM 5 CD GLU 91 -22.363 28.942 37.835 1.00 49.36 C ATOM 6 OE1 GLU 91 -22.793 27.761 37.751 1.00 49.36 O ATOM 7 OE2 GLU 91 -21.268 29.331 37.348 1.00 49.36 O ATOM 8 C GLU 91 -24.595 30.833 40.993 1.00 49.36 C ATOM 9 O GLU 91 -24.688 32.033 41.250 1.00 49.36 O ATOM 10 N LYS 92 -23.802 30.006 41.697 1.00 52.70 N ATOM 11 CA LYS 92 -22.992 30.548 42.741 1.00 52.70 C ATOM 12 CB LYS 92 -23.440 30.071 44.130 1.00 52.70 C ATOM 13 CG LYS 92 -24.855 30.558 44.448 1.00 52.70 C ATOM 14 CD LYS 92 -25.539 29.837 45.609 1.00 52.70 C ATOM 15 CE LYS 92 -26.980 30.301 45.831 1.00 52.70 C ATOM 16 NZ LYS 92 -27.600 29.539 46.935 1.00 52.70 N ATOM 17 C LYS 92 -21.590 30.102 42.483 1.00 52.70 C ATOM 18 O LYS 92 -21.222 28.941 42.655 1.00 52.70 O ATOM 19 N PRO 93 -20.819 31.048 42.036 1.00103.52 N ATOM 20 CA PRO 93 -19.446 30.795 41.692 1.00103.52 C ATOM 21 CD PRO 93 -21.403 32.085 41.196 1.00103.52 C ATOM 22 CB PRO 93 -19.008 31.977 40.830 1.00103.52 C ATOM 23 CG PRO 93 -20.315 32.456 40.176 1.00103.52 C ATOM 24 C PRO 93 -18.511 30.516 42.827 1.00103.52 C ATOM 25 O PRO 93 -17.449 29.951 42.573 1.00103.52 O ATOM 26 N PHE 94 -18.840 30.901 44.076 1.00 55.96 N ATOM 27 CA PHE 94 -17.866 30.685 45.110 1.00 55.96 C ATOM 28 CB PHE 94 -17.701 31.884 46.060 1.00 55.96 C ATOM 29 CG PHE 94 -17.055 32.968 45.267 1.00 55.96 C ATOM 30 CD1 PHE 94 -15.690 32.984 45.104 1.00 55.96 C ATOM 31 CD2 PHE 94 -17.809 33.963 44.686 1.00 55.96 C ATOM 32 CE1 PHE 94 -15.082 33.979 44.375 1.00 55.96 C ATOM 33 CE2 PHE 94 -17.207 34.960 43.956 1.00 55.96 C ATOM 34 CZ PHE 94 -15.842 34.970 43.798 1.00 55.96 C ATOM 35 C PHE 94 -18.245 29.495 45.929 1.00 55.96 C ATOM 36 O PHE 94 -19.321 29.444 46.523 1.00 55.96 O ATOM 37 N THR 95 -17.331 28.505 46.005 1.00102.67 N ATOM 38 CA THR 95 -17.628 27.304 46.729 1.00102.67 C ATOM 39 CB THR 95 -17.433 26.055 45.923 1.00102.67 C ATOM 40 OG1 THR 95 -16.067 25.918 45.558 1.00102.67 O ATOM 41 CG2 THR 95 -18.314 26.141 44.665 1.00102.67 C ATOM 42 C THR 95 -16.713 27.199 47.909 1.00102.67 C ATOM 43 O THR 95 -15.536 27.552 47.841 1.00102.67 O ATOM 44 N CYS 96 -17.267 26.717 49.040 1.00 44.38 N ATOM 45 CA CYS 96 -16.526 26.527 50.255 1.00 44.38 C ATOM 46 CB CYS 96 -17.445 26.319 51.477 1.00 44.38 C ATOM 47 SG CYS 96 -16.542 26.067 53.032 1.00 44.38 S ATOM 48 C CYS 96 -15.702 25.289 50.093 1.00 44.38 C ATOM 49 O CYS 96 -16.205 24.239 49.700 1.00 44.38 O ATOM 50 N THR 97 -14.397 25.378 50.409 1.00108.48 N ATOM 51 CA THR 97 -13.525 24.254 50.235 1.00108.48 C ATOM 52 CB THR 97 -12.100 24.576 50.578 1.00108.48 C ATOM 53 OG1 THR 97 -11.994 24.911 51.955 1.00108.48 O ATOM 54 CG2 THR 97 -11.634 25.756 49.709 1.00108.48 C ATOM 55 C THR 97 -13.945 23.142 51.144 1.00108.48 C ATOM 56 O THR 97 -13.964 21.979 50.743 1.00108.48 O ATOM 57 N GLN 98 -14.245 23.463 52.416 1.00 76.23 N ATOM 58 CA GLN 98 -14.542 22.409 53.343 1.00 76.23 C ATOM 59 CB GLN 98 -14.528 22.923 54.794 1.00 76.23 C ATOM 60 CG GLN 98 -14.735 21.837 55.849 1.00 76.23 C ATOM 61 CD GLN 98 -14.573 22.490 57.213 1.00 76.23 C ATOM 62 OE1 GLN 98 -13.538 22.346 57.861 1.00 76.23 O ATOM 63 NE2 GLN 98 -15.621 23.231 57.662 1.00 76.23 N ATOM 64 C GLN 98 -15.866 21.733 53.095 1.00 76.23 C ATOM 65 O GLN 98 -15.920 20.521 52.882 1.00 76.23 O ATOM 66 N CYS 99 -16.963 22.519 53.134 1.00103.87 N ATOM 67 CA CYS 99 -18.328 22.066 53.023 1.00103.87 C ATOM 68 CB CYS 99 -19.309 23.148 53.503 1.00103.87 C ATOM 69 SG CYS 99 -21.047 22.657 53.349 1.00103.87 S ATOM 70 C CYS 99 -18.719 21.706 51.624 1.00103.87 C ATOM 71 O CYS 99 -19.376 20.692 51.394 1.00103.87 O ATOM 72 N GLY 100 -18.324 22.538 50.644 1.00 25.94 N ATOM 73 CA GLY 100 -18.728 22.314 49.288 1.00 25.94 C ATOM 74 C GLY 100 -19.946 23.148 49.003 1.00 25.94 C ATOM 75 O GLY 100 -20.505 23.075 47.910 1.00 25.94 O ATOM 76 N LYS 101 -20.400 23.965 49.977 1.00 88.58 N ATOM 77 CA LYS 101 -21.560 24.788 49.759 1.00 88.58 C ATOM 78 CB LYS 101 -22.180 25.319 51.065 1.00 88.58 C ATOM 79 CG LYS 101 -23.478 26.102 50.856 1.00 88.58 C ATOM 80 CD LYS 101 -24.332 26.223 52.123 1.00 88.58 C ATOM 81 CE LYS 101 -23.590 26.830 53.313 1.00 88.58 C ATOM 82 NZ LYS 101 -24.492 26.911 54.486 1.00 88.58 N ATOM 83 C LYS 101 -21.168 25.950 48.892 1.00 88.58 C ATOM 84 O LYS 101 -20.056 26.465 48.999 1.00 88.58 O ATOM 85 N SER 102 -22.089 26.400 48.007 1.00 51.74 N ATOM 86 CA SER 102 -21.766 27.454 47.078 1.00 51.74 C ATOM 87 CB SER 102 -22.064 27.094 45.613 1.00 51.74 C ATOM 88 OG SER 102 -21.225 26.031 45.189 1.00 51.74 O ATOM 89 C SER 102 -22.554 28.690 47.404 1.00 51.74 C ATOM 90 O SER 102 -23.650 28.618 47.958 1.00 51.74 O ATOM 91 N PHE 103 -21.993 29.872 47.057 1.00147.67 N ATOM 92 CA PHE 103 -22.621 31.131 47.366 1.00147.67 C ATOM 93 CB PHE 103 -21.921 31.888 48.511 1.00147.67 C ATOM 94 CG PHE 103 -22.138 31.131 49.777 1.00147.67 C ATOM 95 CD1 PHE 103 -21.263 30.140 50.153 1.00147.67 C ATOM 96 CD2 PHE 103 -23.219 31.408 50.586 1.00147.67 C ATOM 97 CE1 PHE 103 -21.463 29.441 51.319 1.00147.67 C ATOM 98 CE2 PHE 103 -23.424 30.711 51.754 1.00147.67 C ATOM 99 CZ PHE 103 -22.542 29.724 52.122 1.00147.67 C ATOM 100 C PHE 103 -22.571 32.035 46.170 1.00147.67 C ATOM 101 O PHE 103 -21.692 31.930 45.316 1.00147.67 O ATOM 102 N SER 104 -23.562 32.947 46.086 1.00 34.46 N ATOM 103 CA SER 104 -23.666 33.912 45.031 1.00 34.46 C ATOM 104 CB SER 104 -25.018 34.655 45.035 1.00 34.46 C ATOM 105 OG SER 104 -25.151 35.418 46.225 1.00 34.46 O ATOM 106 C SER 104 -22.588 34.945 45.185 1.00 34.46 C ATOM 107 O SER 104 -22.104 35.484 44.190 1.00 34.46 O ATOM 108 N GLN 105 -22.176 35.256 46.435 1.00 39.87 N ATOM 109 CA GLN 105 -21.219 36.321 46.598 1.00 39.87 C ATOM 110 CB GLN 105 -21.802 37.566 47.296 1.00 39.87 C ATOM 111 CG GLN 105 -22.933 38.229 46.503 1.00 39.87 C ATOM 112 CD GLN 105 -23.429 39.436 47.285 1.00 39.87 C ATOM 113 OE1 GLN 105 -22.734 39.955 48.159 1.00 39.87 O ATOM 114 NE2 GLN 105 -24.665 39.906 46.964 1.00 39.87 N ATOM 115 C GLN 105 -20.045 35.863 47.411 1.00 39.87 C ATOM 116 O GLN 105 -20.164 35.026 48.306 1.00 39.87 O ATOM 117 N SER 106 -18.864 36.439 47.097 1.00 65.31 N ATOM 118 CA SER 106 -17.614 36.118 47.726 1.00 65.31 C ATOM 119 CB SER 106 -16.426 36.876 47.104 1.00 65.31 C ATOM 120 OG SER 106 -15.221 36.519 47.765 1.00 65.31 O ATOM 121 C SER 106 -17.656 36.494 49.172 1.00 65.31 C ATOM 122 O SER 106 -17.173 35.751 50.024 1.00 65.31 O ATOM 123 N SER 107 -18.244 37.659 49.489 1.00 65.14 N ATOM 124 CA SER 107 -18.250 38.132 50.843 1.00 65.14 C ATOM 125 CB SER 107 -18.898 39.521 50.977 1.00 65.14 C ATOM 126 OG SER 107 -18.145 40.486 50.253 1.00 65.14 O ATOM 127 C SER 107 -19.023 37.180 51.696 1.00 65.14 C ATOM 128 O SER 107 -18.638 36.912 52.833 1.00 65.14 O ATOM 129 N ASN 108 -20.139 36.642 51.166 1.00 30.55 N ATOM 130 CA ASN 108 -20.966 35.749 51.926 1.00 30.55 C ATOM 131 CB ASN 108 -22.274 35.394 51.200 1.00 30.55 C ATOM 132 CG ASN 108 -23.117 36.663 51.176 1.00 30.55 C ATOM 133 OD1 ASN 108 -23.177 37.400 52.159 1.00 30.55 O ATOM 134 ND2 ASN 108 -23.784 36.931 50.022 1.00 30.55 N ATOM 135 C ASN 108 -20.209 34.488 52.211 1.00 30.55 C ATOM 136 O ASN 108 -20.308 33.931 53.303 1.00 30.55 O ATOM 137 N LEU 109 -19.425 34.004 51.232 1.00101.67 N ATOM 138 CA LEU 109 -18.687 32.788 51.418 1.00101.67 C ATOM 139 CB LEU 109 -17.909 32.388 50.144 1.00101.67 C ATOM 140 CG LEU 109 -17.107 31.069 50.228 1.00101.67 C ATOM 141 CD1 LEU 109 -15.884 31.174 51.151 1.00101.67 C ATOM 142 CD2 LEU 109 -18.019 29.885 50.590 1.00101.67 C ATOM 143 C LEU 109 -17.713 33.017 52.534 1.00101.67 C ATOM 144 O LEU 109 -17.520 32.157 53.392 1.00101.67 O ATOM 145 N ASN 110 -17.093 34.210 52.570 1.00 45.93 N ATOM 146 CA ASN 110 -16.093 34.500 53.559 1.00 45.93 C ATOM 147 CB ASN 110 -15.531 35.927 53.438 1.00 45.93 C ATOM 148 CG ASN 110 -14.784 36.038 52.115 1.00 45.93 C ATOM 149 OD1 ASN 110 -15.149 36.826 51.244 1.00 45.93 O ATOM 150 ND2 ASN 110 -13.708 35.222 51.956 1.00 45.93 N ATOM 151 C ASN 110 -16.699 34.377 54.924 1.00 45.93 C ATOM 152 O ASN 110 -16.101 33.788 55.823 1.00 45.93 O ATOM 153 N ASP 111 -17.911 34.928 55.117 1.00 24.28 N ATOM 154 CA ASP 111 -18.536 34.874 56.407 1.00 24.28 C ATOM 155 CB ASP 111 -19.868 35.643 56.454 1.00 24.28 C ATOM 156 CG ASP 111 -19.537 37.128 56.393 1.00 24.28 C ATOM 157 OD1 ASP 111 -18.525 37.533 57.025 1.00 24.28 O ATOM 158 OD2 ASP 111 -20.284 37.874 55.707 1.00 24.28 O ATOM 159 C ASP 111 -18.811 33.443 56.748 1.00 24.28 C ATOM 160 O ASP 111 -18.625 33.023 57.889 1.00 24.28 O ATOM 161 N HIS 112 -19.242 32.650 55.752 1.00 49.31 N ATOM 162 CA HIS 112 -19.576 31.269 55.956 1.00 49.31 C ATOM 163 ND1 HIS 112 -21.485 28.615 55.408 1.00 49.31 N ATOM 164 CG HIS 112 -20.359 29.136 54.810 1.00 49.31 C ATOM 165 CB HIS 112 -20.072 30.599 54.661 1.00 49.31 C ATOM 166 NE2 HIS 112 -20.259 26.883 54.742 1.00 49.31 N ATOM 167 CD2 HIS 112 -19.621 28.063 54.409 1.00 49.31 C ATOM 168 CE1 HIS 112 -21.373 27.264 55.339 1.00 49.31 C ATOM 169 C HIS 112 -18.361 30.522 56.407 1.00 49.31 C ATOM 170 O HIS 112 -18.437 29.676 57.298 1.00 49.31 O ATOM 171 N MET 113 -17.199 30.839 55.816 1.00103.80 N ATOM 172 CA MET 113 -15.991 30.128 56.105 1.00103.80 C ATOM 173 CB MET 113 -14.790 30.615 55.280 1.00103.80 C ATOM 174 CG MET 113 -13.542 29.764 55.505 1.00103.80 C ATOM 175 SD MET 113 -13.654 28.084 54.814 1.00103.80 S ATOM 176 CE MET 113 -13.601 28.624 53.080 1.00103.80 C ATOM 177 C MET 113 -15.643 30.302 57.545 1.00103.80 C ATOM 178 O MET 113 -15.128 29.382 58.178 1.00103.80 O ATOM 179 N MET 114 -15.915 31.489 58.110 1.00134.34 N ATOM 180 CA MET 114 -15.528 31.729 59.467 1.00134.34 C ATOM 181 CB MET 114 -15.998 33.107 59.962 1.00134.34 C ATOM 182 CG MET 114 -15.276 33.647 61.201 1.00134.34 C ATOM 183 SD MET 114 -15.244 32.549 62.651 1.00134.34 S ATOM 184 CE MET 114 -13.675 31.744 62.213 1.00134.34 C ATOM 185 C MET 114 -16.197 30.702 60.334 1.00134.34 C ATOM 186 O MET 114 -15.555 30.057 61.161 1.00134.34 O ATOM 187 N ILE 115 -17.510 30.484 60.143 1.00 72.82 N ATOM 188 CA ILE 115 -18.179 29.548 60.999 1.00 72.82 C ATOM 189 CB ILE 115 -19.572 29.969 61.374 1.00 72.82 C ATOM 190 CG1 ILE 115 -20.461 30.069 60.125 1.00 72.82 C ATOM 191 CG2 ILE 115 -19.475 31.276 62.175 1.00 72.82 C ATOM 192 CD1 ILE 115 -21.949 30.224 60.443 1.00 72.82 C ATOM 193 C ILE 115 -18.282 28.199 60.305 1.00 72.82 C ATOM 194 O ILE 115 -18.875 27.275 60.924 1.00 72.82 O ATOM 195 OXT ILE 115 -17.776 28.071 59.159 1.00 72.82 O