EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:20 REMARK 6 MODELLER OBJECTIVE FUNCTION: 108.1029 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.619 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1054.56250 REMARK 6 GA341 score: 0.75914 REMARK 6 Normalized DOPE score: 0.06998 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 47.6% ATOM 1 N GLU 119 -4.988 16.847 56.003 1.00 63.68 N ATOM 2 CA GLU 119 -5.687 18.044 55.477 1.00 63.68 C ATOM 3 CB GLU 119 -7.092 17.660 54.987 1.00 63.68 C ATOM 4 CG GLU 119 -7.128 16.688 53.805 1.00 63.68 C ATOM 5 CD GLU 119 -8.601 16.431 53.508 1.00 63.68 C ATOM 6 OE1 GLU 119 -9.437 16.890 54.340 1.00 63.68 O ATOM 7 OE2 GLU 119 -8.916 15.794 52.477 1.00 63.68 O ATOM 8 C GLU 119 -5.855 19.059 56.564 1.00 63.68 C ATOM 9 O GLU 119 -5.029 19.172 57.467 1.00 63.68 O ATOM 10 N LYS 120 -6.931 19.860 56.475 1.00159.15 N ATOM 11 CA LYS 120 -7.229 20.801 57.513 1.00159.15 C ATOM 12 CB LYS 120 -7.371 22.242 56.980 1.00159.15 C ATOM 13 CG LYS 120 -7.910 22.346 55.545 1.00159.15 C ATOM 14 CD LYS 120 -9.386 22.005 55.346 1.00159.15 C ATOM 15 CE LYS 120 -9.785 21.946 53.873 1.00159.15 C ATOM 16 NZ LYS 120 -9.035 20.863 53.200 1.00159.15 N ATOM 17 C LYS 120 -8.501 20.344 58.149 1.00159.15 C ATOM 18 O LYS 120 -9.608 20.705 57.740 1.00159.15 O ATOM 19 N PRO 121 -8.353 19.544 59.162 1.00129.10 N ATOM 20 CA PRO 121 -9.471 18.932 59.825 1.00129.10 C ATOM 21 CD PRO 121 -7.112 18.833 59.410 1.00129.10 C ATOM 22 CB PRO 121 -8.884 17.824 60.704 1.00129.10 C ATOM 23 CG PRO 121 -7.369 18.101 60.734 1.00129.10 C ATOM 24 C PRO 121 -10.401 19.839 60.559 1.00129.10 C ATOM 25 O PRO 121 -11.586 19.519 60.629 1.00129.10 O ATOM 26 N PHE 122 -9.928 20.970 61.115 1.00112.46 N ATOM 27 CA PHE 122 -10.849 21.747 61.888 1.00112.46 C ATOM 28 CB PHE 122 -10.279 22.236 63.233 1.00112.46 C ATOM 29 CG PHE 122 -10.134 21.076 64.152 1.00112.46 C ATOM 30 CD1 PHE 122 -9.062 20.220 64.050 1.00112.46 C ATOM 31 CD2 PHE 122 -11.070 20.850 65.136 1.00112.46 C ATOM 32 CE1 PHE 122 -8.930 19.156 64.911 1.00112.46 C ATOM 33 CE2 PHE 122 -10.943 19.789 65.998 1.00112.46 C ATOM 34 CZ PHE 122 -9.871 18.935 65.886 1.00112.46 C ATOM 35 C PHE 122 -11.237 22.972 61.130 1.00112.46 C ATOM 36 O PHE 122 -10.387 23.692 60.611 1.00112.46 O ATOM 37 N THR 123 -12.551 23.246 61.036 1.00108.81 N ATOM 38 CA THR 123 -12.912 24.462 60.376 1.00108.81 C ATOM 39 CB THR 123 -13.614 24.301 59.056 1.00108.81 C ATOM 40 OG1 THR 123 -13.772 25.569 58.435 1.00108.81 O ATOM 41 CG2 THR 123 -14.985 23.638 59.278 1.00108.81 C ATOM 42 C THR 123 -13.801 25.246 61.282 1.00108.81 C ATOM 43 O THR 123 -14.543 24.690 62.089 1.00108.81 O ATOM 44 N CYS 124 -13.704 26.584 61.172 1.00 48.46 N ATOM 45 CA CYS 124 -14.515 27.475 61.951 1.00 48.46 C ATOM 46 CB CYS 124 -14.050 28.941 61.837 1.00 48.46 C ATOM 47 SG CYS 124 -15.051 30.102 62.810 1.00 48.46 S ATOM 48 C CYS 124 -15.907 27.367 61.401 1.00 48.46 C ATOM 49 O CYS 124 -16.111 27.395 60.189 1.00 48.46 O ATOM 50 N THR 125 -16.916 27.234 62.282 1.00 42.69 N ATOM 51 CA THR 125 -18.255 27.044 61.795 1.00 42.69 C ATOM 52 CB THR 125 -19.252 26.778 62.886 1.00 42.69 C ATOM 53 OG1 THR 125 -18.878 25.626 63.624 1.00 42.69 O ATOM 54 CG2 THR 125 -20.636 26.565 62.248 1.00 42.69 C ATOM 55 C THR 125 -18.725 28.251 61.048 1.00 42.69 C ATOM 56 O THR 125 -19.320 28.123 59.978 1.00 42.69 O ATOM 57 N GLN 126 -18.520 29.462 61.609 1.00145.79 N ATOM 58 CA GLN 126 -19.049 30.609 60.925 1.00145.79 C ATOM 59 CB GLN 126 -19.039 31.891 61.774 1.00145.79 C ATOM 60 CG GLN 126 -19.747 31.748 63.117 1.00145.79 C ATOM 61 CD GLN 126 -18.715 31.158 64.063 1.00145.79 C ATOM 62 OE1 GLN 126 -17.524 31.170 63.782 1.00145.79 O ATOM 63 NE2 GLN 126 -19.187 30.632 65.228 1.00145.79 N ATOM 64 C GLN 126 -18.274 30.949 59.693 1.00145.79 C ATOM 65 O GLN 126 -18.836 31.050 58.602 1.00145.79 O ATOM 66 N CYS 127 -16.948 31.134 59.864 1.00 86.34 N ATOM 67 CA CYS 127 -16.063 31.615 58.839 1.00 86.34 C ATOM 68 CB CYS 127 -14.676 31.954 59.406 1.00 86.34 C ATOM 69 SG CYS 127 -13.524 32.551 58.138 1.00 86.34 S ATOM 70 C CYS 127 -15.873 30.607 57.753 1.00 86.34 C ATOM 71 O CYS 127 -15.966 30.940 56.572 1.00 86.34 O ATOM 72 N GLY 128 -15.619 29.344 58.131 1.00 25.73 N ATOM 73 CA GLY 128 -15.385 28.318 57.157 1.00 25.73 C ATOM 74 C GLY 128 -13.901 28.174 56.952 1.00 25.73 C ATOM 75 O GLY 128 -13.461 27.333 56.169 1.00 25.73 O ATOM 76 N LYS 129 -13.090 28.993 57.648 1.00131.02 N ATOM 77 CA LYS 129 -11.660 28.913 57.503 1.00131.02 C ATOM 78 CB LYS 129 -10.926 30.074 58.208 1.00131.02 C ATOM 79 CG LYS 129 -9.450 30.252 57.837 1.00131.02 C ATOM 80 CD LYS 129 -9.220 30.887 56.462 1.00131.02 C ATOM 81 CE LYS 129 -8.690 29.921 55.400 1.00131.02 C ATOM 82 NZ LYS 129 -9.805 29.203 54.744 1.00131.02 N ATOM 83 C LYS 129 -11.228 27.634 58.147 1.00131.02 C ATOM 84 O LYS 129 -11.738 27.265 59.210 1.00131.02 O ATOM 85 N SER 130 -10.269 26.910 57.535 1.00 98.97 N ATOM 86 CA SER 130 -9.879 25.642 58.083 1.00 98.97 C ATOM 87 CB SER 130 -10.003 24.497 57.072 1.00 98.97 C ATOM 88 OG SER 130 -9.209 24.790 55.938 1.00 98.97 O ATOM 89 C SER 130 -8.449 25.707 58.510 1.00 98.97 C ATOM 90 O SER 130 -7.650 26.443 57.936 1.00 98.97 O ATOM 91 N PHE 131 -8.096 24.934 59.556 1.00152.42 N ATOM 92 CA PHE 131 -6.739 24.956 60.022 1.00152.42 C ATOM 93 CB PHE 131 -6.539 25.764 61.319 1.00152.42 C ATOM 94 CG PHE 131 -6.691 27.214 60.990 1.00152.42 C ATOM 95 CD1 PHE 131 -7.932 27.815 61.016 1.00152.42 C ATOM 96 CD2 PHE 131 -5.598 27.974 60.643 1.00152.42 C ATOM 97 CE1 PHE 131 -8.080 29.148 60.713 1.00152.42 C ATOM 98 CE2 PHE 131 -5.742 29.311 60.339 1.00152.42 C ATOM 99 CZ PHE 131 -6.982 29.902 60.369 1.00152.42 C ATOM 100 C PHE 131 -6.285 23.555 60.275 1.00152.42 C ATOM 101 O PHE 131 -7.079 22.638 60.458 1.00152.42 O ATOM 102 N HIS 132 -4.949 23.374 60.246 1.00 83.10 N ATOM 103 CA HIS 132 -4.324 22.111 60.476 1.00 83.10 C ATOM 104 ND1 HIS 132 -2.015 20.150 61.571 1.00 83.10 N ATOM 105 CG HIS 132 -2.247 20.748 60.351 1.00 83.10 C ATOM 106 CB HIS 132 -2.814 22.121 60.201 1.00 83.10 C ATOM 107 NE2 HIS 132 -1.422 18.674 60.017 1.00 83.10 N ATOM 108 CD2 HIS 132 -1.877 19.832 59.413 1.00 83.10 C ATOM 109 CE1 HIS 132 -1.528 18.913 61.314 1.00 83.10 C ATOM 110 C HIS 132 -4.503 21.723 61.916 1.00 83.10 C ATOM 111 O HIS 132 -4.668 20.542 62.221 1.00 83.10 O ATOM 112 N SER 133 -4.459 22.704 62.835 1.00 70.58 N ATOM 113 CA SER 133 -4.534 22.335 64.224 1.00 70.58 C ATOM 114 CB SER 133 -3.281 22.717 65.027 1.00 70.58 C ATOM 115 OG SER 133 -3.438 22.333 66.383 1.00 70.58 O ATOM 116 C SER 133 -5.686 23.018 64.885 1.00 70.58 C ATOM 117 O SER 133 -6.035 24.156 64.573 1.00 70.58 O ATOM 118 N SER 134 -6.297 22.297 65.847 1.00 71.43 N ATOM 119 CA SER 134 -7.416 22.774 66.600 1.00 71.43 C ATOM 120 CB SER 134 -7.990 21.715 67.552 1.00 71.43 C ATOM 121 OG SER 134 -9.084 22.257 68.272 1.00 71.43 O ATOM 122 C SER 134 -6.974 23.908 67.460 1.00 71.43 C ATOM 123 O SER 134 -7.706 24.880 67.635 1.00 71.43 O ATOM 124 N SER 135 -5.751 23.814 68.011 1.00 23.32 N ATOM 125 CA SER 135 -5.298 24.816 68.925 1.00 23.32 C ATOM 126 CB SER 135 -3.876 24.545 69.451 1.00 23.32 C ATOM 127 OG SER 135 -2.957 24.471 68.372 1.00 23.32 O ATOM 128 C SER 135 -5.298 26.126 68.215 1.00 23.32 C ATOM 129 O SER 135 -5.721 27.137 68.771 1.00 23.32 O ATOM 130 N HIS 136 -4.829 26.128 66.955 1.00 34.05 N ATOM 131 CA HIS 136 -4.781 27.329 66.173 1.00 34.05 C ATOM 132 ND1 HIS 136 -2.117 25.559 64.904 1.00 34.05 N ATOM 133 CG HIS 136 -2.640 26.834 64.881 1.00 34.05 C ATOM 134 CB HIS 136 -4.108 27.142 64.799 1.00 34.05 C ATOM 135 NE2 HIS 136 -0.389 26.953 65.022 1.00 34.05 N ATOM 136 CD2 HIS 136 -1.568 27.673 64.954 1.00 34.05 C ATOM 137 CE1 HIS 136 -0.768 25.690 64.988 1.00 34.05 C ATOM 138 C HIS 136 -6.176 27.788 65.906 1.00 34.05 C ATOM 139 O HIS 136 -6.467 28.986 65.925 1.00 34.05 O ATOM 140 N LEU 137 -7.090 26.847 65.633 1.00111.69 N ATOM 141 CA LEU 137 -8.420 27.216 65.261 1.00111.69 C ATOM 142 CB LEU 137 -9.246 25.970 64.898 1.00111.69 C ATOM 143 CG LEU 137 -10.539 26.233 64.103 1.00111.69 C ATOM 144 CD1 LEU 137 -11.351 24.936 63.964 1.00111.69 C ATOM 145 CD2 LEU 137 -11.342 27.424 64.645 1.00111.69 C ATOM 146 C LEU 137 -9.055 27.911 66.430 1.00111.69 C ATOM 147 O LEU 137 -9.695 28.955 66.275 1.00111.69 O ATOM 148 N ASN 138 -8.871 27.375 67.648 1.00 67.34 N ATOM 149 CA ASN 138 -9.526 27.959 68.781 1.00 67.34 C ATOM 150 CB ASN 138 -9.247 27.225 70.097 1.00 67.34 C ATOM 151 CG ASN 138 -10.245 27.776 71.100 1.00 67.34 C ATOM 152 OD1 ASN 138 -11.193 28.466 70.724 1.00 67.34 O ATOM 153 ND2 ASN 138 -10.024 27.482 72.408 1.00 67.34 N ATOM 154 C ASN 138 -9.050 29.367 68.949 1.00 67.34 C ATOM 155 O ASN 138 -9.847 30.272 69.191 1.00 67.34 O ATOM 156 N ILE 139 -7.728 29.593 68.817 1.00 79.97 N ATOM 157 CA ILE 139 -7.216 30.914 69.020 1.00 79.97 C ATOM 158 CB ILE 139 -6.169 30.964 70.106 1.00 79.97 C ATOM 159 CG1 ILE 139 -4.939 30.098 69.769 1.00 79.97 C ATOM 160 CG2 ILE 139 -6.851 30.549 71.421 1.00 79.97 C ATOM 161 CD1 ILE 139 -3.755 30.326 70.706 1.00 79.97 C ATOM 162 C ILE 139 -6.628 31.477 67.722 1.00 79.97 C ATOM 163 O ILE 139 -7.218 32.458 67.197 1.00 79.97 O ATOM 164 OXT ILE 139 -5.584 30.953 67.247 1.00 79.97 O