EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:58 REMARK 6 MODELLER OBJECTIVE FUNCTION: 83.2351 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 57.143 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1057.27710 REMARK 6 GA341 score: 0.84262 REMARK 6 Normalized DOPE score: -0.06813 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 57.1% ATOM 1 N GLU 175 -15.598 27.812 46.008 1.00 31.62 N ATOM 2 CA GLU 175 -16.811 28.508 45.524 1.00 31.62 C ATOM 3 CB GLU 175 -17.887 27.471 45.142 1.00 31.62 C ATOM 4 CG GLU 175 -19.172 28.047 44.538 1.00 31.62 C ATOM 5 CD GLU 175 -20.209 26.934 44.489 1.00 31.62 C ATOM 6 OE1 GLU 175 -19.850 25.780 44.849 1.00 31.62 O ATOM 7 OE2 GLU 175 -21.371 27.225 44.099 1.00 31.62 O ATOM 8 C GLU 175 -17.345 29.388 46.603 1.00 31.62 C ATOM 9 O GLU 175 -16.784 29.453 47.696 1.00 31.62 O ATOM 10 N LYS 176 -18.431 30.119 46.298 1.00 83.48 N ATOM 11 CA LYS 176 -19.042 30.960 47.278 1.00 83.48 C ATOM 12 CB LYS 176 -19.323 32.366 46.731 1.00 83.48 C ATOM 13 CG LYS 176 -18.060 33.072 46.234 1.00 83.48 C ATOM 14 CD LYS 176 -18.348 34.255 45.310 1.00 83.48 C ATOM 15 CE LYS 176 -17.093 34.849 44.667 1.00 83.48 C ATOM 16 NZ LYS 176 -16.282 35.541 45.691 1.00 83.48 N ATOM 17 C LYS 176 -20.360 30.319 47.577 1.00 83.48 C ATOM 18 O LYS 176 -21.371 30.585 46.933 1.00 83.48 O ATOM 19 N PRO 177 -20.337 29.460 48.553 1.00114.75 N ATOM 20 CA PRO 177 -21.474 28.692 48.974 1.00114.75 C ATOM 21 CD PRO 177 -19.117 29.086 49.242 1.00114.75 C ATOM 22 CB PRO 177 -20.921 27.637 49.934 1.00114.75 C ATOM 23 CG PRO 177 -19.591 28.234 50.427 1.00114.75 C ATOM 24 C PRO 177 -22.556 29.509 49.599 1.00114.75 C ATOM 25 O PRO 177 -23.695 29.049 49.632 1.00114.75 O ATOM 26 N PHE 178 -22.240 30.713 50.110 1.00 61.91 N ATOM 27 CA PHE 178 -23.238 31.446 50.834 1.00 61.91 C ATOM 28 CB PHE 178 -22.629 32.278 51.973 1.00 61.91 C ATOM 29 CG PHE 178 -21.863 31.314 52.805 1.00 61.91 C ATOM 30 CD1 PHE 178 -22.507 30.484 53.694 1.00 61.91 C ATOM 31 CD2 PHE 178 -20.493 31.236 52.691 1.00 61.91 C ATOM 32 CE1 PHE 178 -21.793 29.592 54.460 1.00 61.91 C ATOM 33 CE2 PHE 178 -19.777 30.345 53.454 1.00 61.91 C ATOM 34 CZ PHE 178 -20.426 29.520 54.341 1.00 61.91 C ATOM 35 C PHE 178 -23.901 32.396 49.891 1.00 61.91 C ATOM 36 O PHE 178 -23.244 33.221 49.261 1.00 61.91 O ATOM 37 N THR 179 -25.242 32.304 49.792 1.00 34.84 N ATOM 38 CA THR 179 -25.993 33.133 48.894 1.00 34.84 C ATOM 39 CB THR 179 -26.831 32.327 47.940 1.00 34.84 C ATOM 40 OG1 THR 179 -26.008 31.457 47.175 1.00 34.84 O ATOM 41 CG2 THR 179 -27.609 33.279 47.018 1.00 34.84 C ATOM 42 C THR 179 -26.943 33.961 49.705 1.00 34.84 C ATOM 43 O THR 179 -27.551 33.476 50.658 1.00 34.84 O ATOM 44 N CYS 180 -27.080 35.256 49.351 1.00 38.05 N ATOM 45 CA CYS 180 -28.016 36.100 50.040 1.00 38.05 C ATOM 46 CB CYS 180 -27.625 37.589 50.067 1.00 38.05 C ATOM 47 SG CYS 180 -28.832 38.627 50.946 1.00 38.05 S ATOM 48 C CYS 180 -29.322 35.974 49.318 1.00 38.05 C ATOM 49 O CYS 180 -29.387 36.075 48.093 1.00 38.05 O ATOM 50 N ALA 181 -30.411 35.760 50.079 1.00 38.96 N ATOM 51 CA ALA 181 -31.690 35.536 49.472 1.00 38.96 C ATOM 52 CB ALA 181 -32.788 35.256 50.509 1.00 38.96 C ATOM 53 C ALA 181 -32.124 36.742 48.700 1.00 38.96 C ATOM 54 O ALA 181 -32.619 36.624 47.580 1.00 38.96 O ATOM 55 N GLN 182 -31.987 37.945 49.291 1.00148.36 N ATOM 56 CA GLN 182 -32.492 39.105 48.609 1.00148.36 C ATOM 57 CB GLN 182 -32.637 40.333 49.524 1.00148.36 C ATOM 58 CG GLN 182 -33.892 40.269 50.393 1.00148.36 C ATOM 59 CD GLN 182 -35.078 40.344 49.442 1.00148.36 C ATOM 60 OE1 GLN 182 -35.720 41.384 49.311 1.00148.36 O ATOM 61 NE2 GLN 182 -35.370 39.217 48.741 1.00148.36 N ATOM 62 C GLN 182 -31.698 39.541 47.412 1.00148.36 C ATOM 63 O GLN 182 -32.241 39.639 46.312 1.00148.36 O ATOM 64 N CYS 183 -30.393 39.828 47.607 1.00 51.52 N ATOM 65 CA CYS 183 -29.560 40.350 46.552 1.00 51.52 C ATOM 66 CB CYS 183 -28.268 40.999 47.080 1.00 51.52 C ATOM 67 SG CYS 183 -27.222 39.827 47.995 1.00 51.52 S ATOM 68 C CYS 183 -29.192 39.290 45.558 1.00 51.52 C ATOM 69 O CYS 183 -29.185 39.535 44.351 1.00 51.52 O ATOM 70 N GLY 184 -28.886 38.072 46.045 1.00 25.74 N ATOM 71 CA GLY 184 -28.479 36.999 45.182 1.00 25.74 C ATOM 72 C GLY 184 -26.981 36.954 45.140 1.00 25.74 C ATOM 73 O GLY 184 -26.397 36.109 44.464 1.00 25.74 O ATOM 74 N LYS 185 -26.312 37.861 45.874 1.00 59.10 N ATOM 75 CA LYS 185 -24.878 37.892 45.873 1.00 59.10 C ATOM 76 CB LYS 185 -24.313 39.189 46.469 1.00 59.10 C ATOM 77 CG LYS 185 -22.821 39.396 46.222 1.00 59.10 C ATOM 78 CD LYS 185 -22.376 40.846 46.456 1.00 59.10 C ATOM 79 CE LYS 185 -20.883 41.093 46.217 1.00 59.10 C ATOM 80 NZ LYS 185 -20.574 42.528 46.416 1.00 59.10 N ATOM 81 C LYS 185 -24.375 36.725 46.668 1.00 59.10 C ATOM 82 O LYS 185 -25.015 36.284 47.622 1.00 59.10 O ATOM 83 N SER 186 -23.202 36.185 46.278 1.00 95.47 N ATOM 84 CA SER 186 -22.684 35.033 46.962 1.00 95.47 C ATOM 85 CB SER 186 -22.422 33.844 46.023 1.00 95.47 C ATOM 86 OG SER 186 -21.515 34.229 45.002 1.00 95.47 O ATOM 87 C SER 186 -21.395 35.397 47.638 1.00 95.47 C ATOM 88 O SER 186 -20.651 36.251 47.159 1.00 95.47 O ATOM 89 N PHE 187 -21.103 34.743 48.787 1.00134.98 N ATOM 90 CA PHE 187 -19.928 35.073 49.546 1.00134.98 C ATOM 91 CB PHE 187 -20.275 35.710 50.904 1.00134.98 C ATOM 92 CG PHE 187 -20.987 36.989 50.631 1.00134.98 C ATOM 93 CD1 PHE 187 -22.341 36.983 50.382 1.00134.98 C ATOM 94 CD2 PHE 187 -20.310 38.186 50.605 1.00134.98 C ATOM 95 CE1 PHE 187 -23.016 38.154 50.125 1.00134.98 C ATOM 96 CE2 PHE 187 -20.979 39.361 50.348 1.00134.98 C ATOM 97 CZ PHE 187 -22.332 39.346 50.106 1.00134.98 C ATOM 98 C PHE 187 -19.155 33.821 49.837 1.00134.98 C ATOM 99 O PHE 187 -19.709 32.726 49.915 1.00134.98 O ATOM 100 N SER 188 -17.820 33.962 49.955 1.00 36.66 N ATOM 101 CA SER 188 -16.962 32.856 50.271 1.00 36.66 C ATOM 102 CB SER 188 -15.470 33.159 50.047 1.00 36.66 C ATOM 103 OG SER 188 -15.027 34.162 50.948 1.00 36.66 O ATOM 104 C SER 188 -17.133 32.500 51.713 1.00 36.66 C ATOM 105 O SER 188 -16.959 31.342 52.089 1.00 36.66 O ATOM 106 N SER 189 -17.476 33.482 52.574 1.00 73.23 N ATOM 107 CA SER 189 -17.553 33.157 53.971 1.00 73.23 C ATOM 108 CB SER 189 -16.528 33.904 54.837 1.00 73.23 C ATOM 109 OG SER 189 -16.707 33.560 56.204 1.00 73.23 O ATOM 110 C SER 189 -18.911 33.475 54.507 1.00 73.23 C ATOM 111 O SER 189 -19.570 34.424 54.084 1.00 73.23 O ATOM 112 N SER 190 -19.354 32.650 55.473 1.00 73.50 N ATOM 113 CA SER 190 -20.642 32.774 56.083 1.00 73.50 C ATOM 114 CB SER 190 -20.938 31.626 57.058 1.00 73.50 C ATOM 115 OG SER 190 -20.024 31.671 58.144 1.00 73.50 O ATOM 116 C SER 190 -20.713 34.049 56.861 1.00 73.50 C ATOM 117 O SER 190 -21.741 34.724 56.854 1.00 73.50 O ATOM 118 N SER 191 -19.614 34.427 57.543 1.00 24.11 N ATOM 119 CA SER 191 -19.644 35.595 58.378 1.00 24.11 C ATOM 120 CB SER 191 -18.316 35.838 59.123 1.00 24.11 C ATOM 121 OG SER 191 -17.278 36.132 58.199 1.00 24.11 O ATOM 122 C SER 191 -19.924 36.801 57.539 1.00 24.11 C ATOM 123 O SER 191 -20.672 37.689 57.943 1.00 24.11 O ATOM 124 N ASN 192 -19.322 36.865 56.338 1.00 30.76 N ATOM 125 CA ASN 192 -19.528 38.016 55.512 1.00 30.76 C ATOM 126 CB ASN 192 -18.716 37.972 54.206 1.00 30.76 C ATOM 127 CG ASN 192 -17.237 38.109 54.547 1.00 30.76 C ATOM 128 OD1 ASN 192 -16.866 38.327 55.700 1.00 30.76 O ATOM 129 ND2 ASN 192 -16.368 37.994 53.507 1.00 30.76 N ATOM 130 C ASN 192 -20.973 38.069 55.131 1.00 30.76 C ATOM 131 O ASN 192 -21.599 39.129 55.175 1.00 30.76 O ATOM 132 N LEU 193 -21.548 36.916 54.750 1.00105.22 N ATOM 133 CA LEU 193 -22.917 36.886 54.333 1.00105.22 C ATOM 134 CB LEU 193 -23.342 35.480 53.851 1.00105.22 C ATOM 135 CG LEU 193 -24.834 35.306 53.469 1.00105.22 C ATOM 136 CD1 LEU 193 -25.750 35.230 54.704 1.00105.22 C ATOM 137 CD2 LEU 193 -25.282 36.384 52.471 1.00105.22 C ATOM 138 C LEU 193 -23.791 37.277 55.479 1.00105.22 C ATOM 139 O LEU 193 -24.715 38.072 55.320 1.00105.22 O ATOM 140 N TYR 194 -23.506 36.734 56.675 1.00133.29 N ATOM 141 CA TYR 194 -24.353 36.956 57.811 1.00133.29 C ATOM 142 CB TYR 194 -23.873 36.166 59.044 1.00133.29 C ATOM 143 CG TYR 194 -24.910 36.222 60.115 1.00133.29 C ATOM 144 CD1 TYR 194 -25.979 35.356 60.084 1.00133.29 C ATOM 145 CD2 TYR 194 -24.809 37.115 61.156 1.00133.29 C ATOM 146 CE1 TYR 194 -26.942 35.391 61.066 1.00133.29 C ATOM 147 CE2 TYR 194 -25.769 37.155 62.140 1.00133.29 C ATOM 148 CZ TYR 194 -26.836 36.290 62.098 1.00133.29 C ATOM 149 OH TYR 194 -27.817 36.336 63.108 1.00133.29 O ATOM 150 C TYR 194 -24.332 38.412 58.149 1.00133.29 C ATOM 151 O TYR 194 -25.376 39.024 58.366 1.00133.29 O ATOM 152 N GLN 195 -23.130 39.017 58.173 1.00 55.96 N ATOM 153 CA GLN 195 -23.053 40.392 58.557 1.00 55.96 C ATOM 154 CB GLN 195 -21.612 40.918 58.680 1.00 55.96 C ATOM 155 CG GLN 195 -21.516 42.298 59.334 1.00 55.96 C ATOM 156 CD GLN 195 -21.715 42.125 60.835 1.00 55.96 C ATOM 157 OE1 GLN 195 -22.311 41.150 61.290 1.00 55.96 O ATOM 158 NE2 GLN 195 -21.198 43.102 61.627 1.00 55.96 N ATOM 159 C GLN 195 -23.770 41.228 57.509 1.00 55.96 C ATOM 160 O GLN 195 -23.942 42.454 57.748 1.00 55.96 O ATOM 161 OXT GLN 195 -24.157 40.656 56.457 1.00 55.96 O