EXPDTA THEORETICAL MODEL, MODELLER 9.15 2017/02/07 17:19:32 REMARK 6 MODELLER OBJECTIVE FUNCTION: -1352.0613 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.778 REMARK 6 SEQUENCE: model REMARK 6 DOPE score: -1352.06128 REMARK 6 GA341 score: 0.60534 REMARK 6 Normalized DOPE score: -0.38272 REMARK 6 TEMPLATE: 1n7dA01 ATOM 1 N GLU 28 -0.106 76.384 4.959 1.00 45.63 N ATOM 2 CA GLU 28 -0.794 76.601 6.253 1.00 45.63 C ATOM 3 CB GLU 28 -2.287 76.245 6.136 1.00 45.63 C ATOM 4 CG GLU 28 -3.067 77.172 5.200 1.00 45.63 C ATOM 5 CD GLU 28 -4.461 76.592 5.016 1.00 45.63 C ATOM 6 OE1 GLU 28 -5.193 76.478 6.034 1.00 45.63 O ATOM 7 OE2 GLU 28 -4.811 76.251 3.854 1.00 45.63 O ATOM 8 C GLU 28 -0.189 75.729 7.300 1.00 45.63 C ATOM 9 O GLU 28 0.143 74.572 7.054 1.00 45.63 O ATOM 10 N ALA 29 -0.056 76.266 8.523 1.00 49.06 N ATOM 11 CA ALA 29 0.528 75.507 9.584 1.00 49.06 C ATOM 12 CB ALA 29 0.682 76.291 10.898 1.00 49.06 C ATOM 13 C ALA 29 -0.400 74.372 9.834 1.00 49.06 C ATOM 14 O ALA 29 -1.488 74.324 9.263 1.00 49.06 O ATOM 15 N THR 30 0.023 73.447 10.718 1.00 79.44 N ATOM 16 CA THR 30 -0.629 72.197 10.983 1.00 79.44 C ATOM 17 CB THR 30 -2.010 72.255 11.595 1.00 79.44 C ATOM 18 OG1 THR 30 -2.966 72.805 10.702 1.00 79.44 O ATOM 19 CG2 THR 30 -1.933 73.092 12.884 1.00 79.44 C ATOM 20 C THR 30 -0.658 71.435 9.700 1.00 79.44 C ATOM 21 O THR 30 -1.677 70.888 9.287 1.00 79.44 O ATOM 22 N CYS 31 0.516 71.369 9.039 1.00140.16 N ATOM 23 CA CYS 31 0.694 70.645 7.807 1.00140.16 C ATOM 24 CB CYS 31 2.033 70.892 7.085 1.00140.16 C ATOM 25 SG CYS 31 3.497 70.709 8.134 1.00140.16 S ATOM 26 C CYS 31 0.554 69.203 8.106 1.00140.16 C ATOM 27 O CYS 31 -0.213 68.839 8.998 1.00140.16 O ATOM 28 N SER 32 1.250 68.347 7.327 1.00100.02 N ATOM 29 CA SER 32 1.175 66.939 7.579 1.00100.02 C ATOM 30 CB SER 32 2.186 66.116 6.756 1.00100.02 C ATOM 31 OG SER 32 2.063 64.734 7.055 1.00100.02 O ATOM 32 C SER 32 1.512 66.807 9.025 1.00100.02 C ATOM 33 O SER 32 2.372 67.522 9.533 1.00100.02 O ATOM 34 N SER 33 0.820 65.901 9.737 1.00153.65 N ATOM 35 CA SER 33 0.893 65.836 11.172 1.00153.65 C ATOM 36 CB SER 33 0.031 64.710 11.764 1.00153.65 C ATOM 37 OG SER 33 0.516 63.444 11.341 1.00153.65 O ATOM 38 C SER 33 2.304 65.614 11.617 1.00153.65 C ATOM 39 O SER 33 2.607 65.696 12.805 1.00153.65 O ATOM 40 N ASP 34 3.201 65.321 10.666 1.00 88.61 N ATOM 41 CA ASP 34 4.589 65.103 10.936 1.00 88.61 C ATOM 42 CB ASP 34 5.325 64.369 9.801 1.00 88.61 C ATOM 43 CG ASP 34 4.837 62.930 9.777 1.00 88.61 C ATOM 44 OD1 ASP 34 4.546 62.383 10.875 1.00 88.61 O ATOM 45 OD2 ASP 34 4.743 62.358 8.659 1.00 88.61 O ATOM 46 C ASP 34 5.318 66.400 11.168 1.00 88.61 C ATOM 47 O ASP 34 4.732 67.479 11.214 1.00 88.61 O ATOM 48 N GLN 35 6.638 66.249 11.423 1.00189.35 N ATOM 49 CA GLN 35 7.654 67.209 11.777 1.00189.35 C ATOM 50 CB GLN 35 8.779 66.644 12.667 1.00189.35 C ATOM 51 CG GLN 35 9.693 65.612 12.018 1.00189.35 C ATOM 52 CD GLN 35 10.815 65.349 13.017 1.00189.35 C ATOM 53 OE1 GLN 35 11.959 65.102 12.639 1.00189.35 O ATOM 54 NE2 GLN 35 10.481 65.417 14.334 1.00189.35 N ATOM 55 C GLN 35 8.317 68.075 10.712 1.00189.35 C ATOM 56 O GLN 35 9.008 69.011 11.096 1.00189.35 O ATOM 57 N PHE 36 8.270 67.837 9.381 1.00143.71 N ATOM 58 CA PHE 36 9.300 68.621 8.704 1.00143.71 C ATOM 59 CB PHE 36 10.473 67.674 8.376 1.00143.71 C ATOM 60 CG PHE 36 11.622 68.351 7.714 1.00143.71 C ATOM 61 CD1 PHE 36 12.548 69.038 8.463 1.00143.71 C ATOM 62 CD2 PHE 36 11.802 68.265 6.352 1.00143.71 C ATOM 63 CE1 PHE 36 13.621 69.655 7.865 1.00143.71 C ATOM 64 CE2 PHE 36 12.875 68.879 5.746 1.00143.71 C ATOM 65 CZ PHE 36 13.786 69.577 6.503 1.00143.71 C ATOM 66 C PHE 36 8.946 69.389 7.425 1.00143.71 C ATOM 67 O PHE 36 8.133 68.935 6.627 1.00143.71 O ATOM 68 N ARG 37 9.600 70.574 7.165 1.00155.37 N ATOM 69 CA ARG 37 9.308 71.342 5.957 1.00155.37 C ATOM 70 CB ARG 37 8.019 72.166 6.064 1.00155.37 C ATOM 71 CG ARG 37 8.047 73.208 7.183 1.00155.37 C ATOM 72 CD ARG 37 6.775 74.061 7.262 1.00155.37 C ATOM 73 NE ARG 37 6.972 75.037 8.370 1.00155.37 N ATOM 74 CZ ARG 37 6.581 74.732 9.643 1.00155.37 C ATOM 75 NH1 ARG 37 5.955 73.546 9.902 1.00155.37 N ATOM 76 NH2 ARG 37 6.821 75.616 10.653 1.00155.37 N ATOM 77 C ARG 37 10.398 72.358 5.620 1.00155.37 C ATOM 78 O ARG 37 10.911 73.018 6.518 1.00155.37 O ATOM 79 N CYS 38 10.699 72.555 4.295 1.00130.79 N ATOM 80 CA CYS 38 11.703 73.411 3.694 1.00130.79 C ATOM 81 CB CYS 38 12.539 72.642 2.630 1.00130.79 C ATOM 82 SG CYS 38 11.502 71.910 1.318 1.00130.79 S ATOM 83 C CYS 38 11.136 74.651 3.038 1.00130.79 C ATOM 84 O CYS 38 10.013 75.088 3.310 1.00130.79 O ATOM 85 N GLY 39 11.938 75.267 2.131 1.00136.53 N ATOM 86 CA GLY 39 11.526 76.549 1.616 1.00136.53 C ATOM 87 C GLY 39 10.533 76.439 0.515 1.00136.53 C ATOM 88 O GLY 39 10.833 75.925 -0.564 1.00136.53 O ATOM 89 N ASN 40 9.392 77.132 0.730 1.00176.47 N ATOM 90 CA ASN 40 8.223 77.086 -0.098 1.00176.47 C ATOM 91 CB ASN 40 8.482 77.603 -1.526 1.00176.47 C ATOM 92 CG ASN 40 7.153 78.014 -2.138 1.00176.47 C ATOM 93 OD1 ASN 40 6.981 77.992 -3.355 1.00176.47 O ATOM 94 ND2 ASN 40 6.188 78.417 -1.268 1.00176.47 N ATOM 95 C ASN 40 7.728 75.642 -0.163 1.00176.47 C ATOM 96 O ASN 40 7.763 75.071 -1.256 1.00176.47 O ATOM 97 N GLY 41 7.177 75.059 0.975 1.00144.57 N ATOM 98 CA GLY 41 6.741 73.659 1.050 1.00144.57 C ATOM 99 C GLY 41 6.598 73.097 2.477 1.00144.57 C ATOM 100 O GLY 41 7.550 72.659 3.117 1.00144.57 O ATOM 101 N ASN 42 5.328 73.022 2.966 1.00235.61 N ATOM 102 CA ASN 42 4.843 72.756 4.310 1.00235.61 C ATOM 103 CB ASN 42 3.321 72.972 4.432 1.00235.61 C ATOM 104 CG ASN 42 3.046 74.473 4.376 1.00235.61 C ATOM 105 OD1 ASN 42 3.296 75.130 3.368 1.00235.61 O ATOM 106 ND2 ASN 42 2.514 75.034 5.496 1.00235.61 N ATOM 107 C ASN 42 5.160 71.458 5.023 1.00235.61 C ATOM 108 O ASN 42 5.366 71.548 6.223 1.00235.61 O ATOM 109 N CYS 43 5.153 70.237 4.434 1.00249.33 N ATOM 110 CA CYS 43 5.426 69.054 5.247 1.00249.33 C ATOM 111 CB CYS 43 4.197 68.503 6.003 1.00249.33 C ATOM 112 SG CYS 43 4.180 68.824 7.801 1.00249.33 S ATOM 113 C CYS 43 5.977 67.954 4.375 1.00249.33 C ATOM 114 O CYS 43 5.291 67.458 3.485 1.00249.33 O ATOM 115 N ILE 44 7.218 67.496 4.666 1.00167.38 N ATOM 116 CA ILE 44 7.956 66.551 3.865 1.00167.38 C ATOM 117 CB ILE 44 9.236 67.169 3.369 1.00167.38 C ATOM 118 CG1 ILE 44 8.893 68.420 2.548 1.00167.38 C ATOM 119 CG2 ILE 44 10.073 66.134 2.601 1.00167.38 C ATOM 120 CD1 ILE 44 7.880 68.161 1.435 1.00167.38 C ATOM 121 C ILE 44 8.299 65.338 4.695 1.00167.38 C ATOM 122 O ILE 44 8.542 65.425 5.894 1.00167.38 O ATOM 123 N PRO 45 8.437 64.219 4.032 1.00123.12 N ATOM 124 CA PRO 45 8.587 62.916 4.648 1.00123.12 C ATOM 125 CD PRO 45 7.839 64.102 2.710 1.00123.12 C ATOM 126 CB PRO 45 8.557 61.916 3.498 1.00123.12 C ATOM 127 CG PRO 45 7.650 62.596 2.458 1.00123.12 C ATOM 128 C PRO 45 9.714 62.697 5.601 1.00123.12 C ATOM 129 O PRO 45 9.913 61.558 6.025 1.00123.12 O ATOM 130 N ASN 46 10.531 63.717 5.890 1.00138.06 N ATOM 131 CA ASN 46 11.553 63.572 6.890 1.00138.06 C ATOM 132 CB ASN 46 10.989 62.922 8.166 1.00138.06 C ATOM 133 CG ASN 46 11.870 63.228 9.370 1.00138.06 C ATOM 134 OD1 ASN 46 13.073 62.972 9.382 1.00138.06 O ATOM 135 ND2 ASN 46 11.242 63.794 10.434 1.00138.06 N ATOM 136 C ASN 46 12.657 62.689 6.366 1.00138.06 C ATOM 137 O ASN 46 13.730 62.612 6.963 1.00138.06 O ATOM 138 N LYS 47 12.396 61.936 5.279 1.00174.54 N ATOM 139 CA LYS 47 13.378 61.106 4.634 1.00174.54 C ATOM 140 CB LYS 47 12.776 59.856 3.980 1.00174.54 C ATOM 141 CG LYS 47 12.297 58.831 5.009 1.00174.54 C ATOM 142 CD LYS 47 13.417 58.310 5.915 1.00174.54 C ATOM 143 CE LYS 47 12.928 57.409 7.051 1.00174.54 C ATOM 144 NZ LYS 47 12.267 58.225 8.096 1.00174.54 N ATOM 145 C LYS 47 14.155 61.819 3.601 1.00174.54 C ATOM 146 O LYS 47 15.369 61.640 3.493 1.00174.54 O ATOM 147 N TRP 48 13.458 62.682 2.826 1.00108.51 N ATOM 148 CA TRP 48 14.105 63.391 1.768 1.00108.51 C ATOM 149 CB TRP 48 13.180 64.353 1.000 1.00108.51 C ATOM 150 CG TRP 48 12.146 63.640 0.158 1.00108.51 C ATOM 151 CD2 TRP 48 12.467 62.826 -0.980 1.00108.51 C ATOM 152 CD1 TRP 48 10.791 63.584 0.303 1.00108.51 C ATOM 153 NE1 TRP 48 10.245 62.792 -0.682 1.00108.51 N ATOM 154 CE2 TRP 48 11.268 62.315 -1.476 1.00108.51 C ATOM 155 CE3 TRP 48 13.665 62.521 -1.562 1.00108.51 C ATOM 156 CZ2 TRP 48 11.248 61.492 -2.568 1.00108.51 C ATOM 157 CZ3 TRP 48 13.641 61.695 -2.663 1.00108.51 C ATOM 158 CH2 TRP 48 12.456 61.190 -3.158 1.00108.51 C ATOM 159 C TRP 48 15.123 64.157 2.501 1.00108.51 C ATOM 160 O TRP 48 16.223 64.399 2.013 1.00108.51 O ATOM 161 N ARG 49 14.753 64.531 3.733 1.00125.56 N ATOM 162 CA ARG 49 15.576 65.180 4.691 1.00125.56 C ATOM 163 CB ARG 49 14.864 65.199 6.051 1.00125.56 C ATOM 164 CG ARG 49 15.612 65.859 7.201 1.00125.56 C ATOM 165 CD ARG 49 14.882 65.640 8.526 1.00125.56 C ATOM 166 NE ARG 49 15.597 66.398 9.589 1.00125.56 N ATOM 167 CZ ARG 49 15.403 66.060 10.899 1.00125.56 C ATOM 168 NH1 ARG 49 14.617 64.990 11.214 1.00125.56 N ATOM 169 NH2 ARG 49 15.993 66.787 11.889 1.00125.56 N ATOM 170 C ARG 49 16.847 64.407 4.841 1.00125.56 C ATOM 171 O ARG 49 16.867 63.250 5.263 1.00125.56 O ATOM 172 N CYS 50 17.956 65.046 4.442 1.00107.37 N ATOM 173 CA CYS 50 19.267 64.517 4.659 1.00107.37 C ATOM 174 CB CYS 50 19.604 64.396 6.154 1.00107.37 C ATOM 175 SG CYS 50 21.348 64.000 6.465 1.00107.37 S ATOM 176 C CYS 50 19.381 63.171 4.025 1.00107.37 C ATOM 177 O CYS 50 20.267 62.386 4.359 1.00107.37 O ATOM 178 N ASP 51 18.501 62.882 3.053 1.00 95.03 N ATOM 179 CA ASP 51 18.569 61.664 2.306 1.00 95.03 C ATOM 180 CB ASP 51 17.342 61.402 1.409 1.00 95.03 C ATOM 181 CG ASP 51 17.244 62.431 0.288 1.00 95.03 C ATOM 182 OD1 ASP 51 17.913 63.496 0.365 1.00 95.03 O ATOM 183 OD2 ASP 51 16.483 62.154 -0.678 1.00 95.03 O ATOM 184 C ASP 51 19.780 61.806 1.443 1.00 95.03 C ATOM 185 O ASP 51 20.281 60.837 0.876 1.00 95.03 O ATOM 186 N GLN 52 20.287 63.053 1.367 1.00113.52 N ATOM 187 CA GLN 52 21.375 63.457 0.532 1.00113.52 C ATOM 188 CB GLN 52 22.683 62.684 0.767 1.00113.52 C ATOM 189 CG GLN 52 23.351 63.010 2.100 1.00113.52 C ATOM 190 CD GLN 52 24.779 62.483 2.041 1.00113.52 C ATOM 191 OE1 GLN 52 25.015 61.279 1.952 1.00113.52 O ATOM 192 NE2 GLN 52 25.766 63.418 2.084 1.00113.52 N ATOM 193 C GLN 52 21.023 63.337 -0.911 1.00113.52 C ATOM 194 O GLN 52 21.720 62.680 -1.677 1.00113.52 O ATOM 195 N GLU 53 19.884 63.935 -1.308 1.00210.90 N ATOM 196 CA GLU 53 19.542 64.037 -2.697 1.00210.90 C ATOM 197 CB GLU 53 18.481 63.025 -3.157 1.00210.90 C ATOM 198 CG GLU 53 18.999 61.589 -3.235 1.00210.90 C ATOM 199 CD GLU 53 17.865 60.724 -3.762 1.00210.90 C ATOM 200 OE1 GLU 53 16.688 61.142 -3.604 1.00210.90 O ATOM 201 OE2 GLU 53 18.158 59.637 -4.330 1.00210.90 O ATOM 202 C GLU 53 18.968 65.407 -2.857 1.00210.90 C ATOM 203 O GLU 53 17.987 65.750 -2.202 1.00210.90 O ATOM 204 N SER 54 19.544 66.231 -3.751 1.00 81.64 N ATOM 205 CA SER 54 19.084 67.587 -3.840 1.00 81.64 C ATOM 206 CB SER 54 19.837 68.428 -4.888 1.00 81.64 C ATOM 207 OG SER 54 19.579 67.933 -6.195 1.00 81.64 O ATOM 208 C SER 54 17.636 67.604 -4.198 1.00 81.64 C ATOM 209 O SER 54 17.241 67.226 -5.303 1.00 81.64 O ATOM 210 N ASP 55 16.812 68.064 -3.233 1.00102.51 N ATOM 211 CA ASP 55 15.398 68.203 -3.413 1.00102.51 C ATOM 212 CB ASP 55 14.618 66.894 -3.192 1.00102.51 C ATOM 213 CG ASP 55 14.931 65.930 -4.327 1.00102.51 C ATOM 214 OD1 ASP 55 14.798 66.337 -5.513 1.00102.51 O ATOM 215 OD2 ASP 55 15.300 64.766 -4.020 1.00102.51 O ATOM 216 C ASP 55 14.928 69.166 -2.362 1.00102.51 C ATOM 217 O ASP 55 15.193 68.967 -1.180 1.00102.51 O ATOM 218 N CYS 56 14.254 70.253 -2.790 1.00131.04 N ATOM 219 CA CYS 56 13.655 71.294 -1.972 1.00131.04 C ATOM 220 CB CYS 56 13.867 71.245 -0.440 1.00131.04 C ATOM 221 SG CYS 56 12.588 70.380 0.511 1.00131.04 S ATOM 222 C CYS 56 14.183 72.613 -2.404 1.00131.04 C ATOM 223 O CYS 56 15.393 72.820 -2.406 1.00131.04 O ATOM 224 N ALA 57 13.260 73.553 -2.698 1.00 29.41 N ATOM 225 CA ALA 57 13.577 74.847 -3.231 1.00 29.41 C ATOM 226 CB ALA 57 12.330 75.709 -3.502 1.00 29.41 C ATOM 227 C ALA 57 14.450 75.592 -2.278 1.00 29.41 C ATOM 228 O ALA 57 15.413 76.229 -2.699 1.00 29.41 O ATOM 229 N ASP 58 14.175 75.517 -0.961 1.00129.41 N ATOM 230 CA ASP 58 15.015 76.235 -0.042 1.00129.41 C ATOM 231 CB ASP 58 14.442 76.390 1.374 1.00129.41 C ATOM 232 CG ASP 58 15.164 77.540 2.064 1.00129.41 C ATOM 233 OD1 ASP 58 15.970 78.226 1.379 1.00129.41 O ATOM 234 OD2 ASP 58 14.919 77.746 3.283 1.00129.41 O ATOM 235 C ASP 58 16.258 75.442 0.087 1.00129.41 C ATOM 236 O ASP 58 16.658 74.809 -0.884 1.00129.41 O ATOM 237 N GLY 59 16.883 75.440 1.288 1.00142.93 N ATOM 238 CA GLY 59 18.156 74.796 1.432 1.00142.93 C ATOM 239 C GLY 59 18.007 73.381 0.984 1.00142.93 C ATOM 240 O GLY 59 18.663 72.990 0.034 1.00142.93 O ATOM 241 N SER 60 17.103 72.605 1.594 1.00168.55 N ATOM 242 CA SER 60 16.705 71.304 1.123 1.00168.55 C ATOM 243 CB SER 60 16.786 71.056 -0.394 1.00168.55 C ATOM 244 OG SER 60 18.080 70.623 -0.773 1.00168.55 O ATOM 245 C SER 60 17.438 70.191 1.777 1.00168.55 C ATOM 246 O SER 60 18.648 70.231 1.979 1.00168.55 O ATOM 247 N ASP 61 16.671 69.112 1.985 1.00256.75 N ATOM 248 CA ASP 61 16.882 67.883 2.679 1.00256.75 C ATOM 249 CB ASP 61 15.668 67.025 2.410 1.00256.75 C ATOM 250 CG ASP 61 14.457 67.726 2.969 1.00256.75 C ATOM 251 OD1 ASP 61 14.632 68.801 3.601 1.00256.75 O ATOM 252 OD2 ASP 61 13.335 67.193 2.765 1.00256.75 O ATOM 253 C ASP 61 18.105 67.130 2.258 1.00256.75 C ATOM 254 O ASP 61 18.033 66.111 1.571 1.00256.75 O ATOM 255 N GLU 62 19.255 67.626 2.728 1.00211.99 N ATOM 256 CA GLU 62 20.584 67.090 2.664 1.00211.99 C ATOM 257 CB GLU 62 21.152 66.796 1.257 1.00211.99 C ATOM 258 CG GLU 62 21.553 67.995 0.398 1.00211.99 C ATOM 259 CD GLU 62 20.358 68.464 -0.407 1.00211.99 C ATOM 260 OE1 GLU 62 19.361 67.699 -0.516 1.00211.99 O ATOM 261 OE2 GLU 62 20.439 69.603 -0.937 1.00211.99 O ATOM 262 C GLU 62 21.304 68.227 3.301 1.00211.99 C ATOM 263 O GLU 62 22.108 68.083 4.219 1.00211.99 O ATOM 264 N ALA 63 21.001 69.418 2.760 1.00 71.45 N ATOM 265 CA ALA 63 21.354 70.688 3.306 1.00 71.45 C ATOM 266 CB ALA 63 21.039 71.857 2.357 1.00 71.45 C ATOM 267 C ALA 63 20.518 70.854 4.537 1.00 71.45 C ATOM 268 O ALA 63 20.928 71.480 5.511 1.00 71.45 O ATOM 269 N ASN 64 19.280 70.329 4.495 1.00 38.50 N ATOM 270 CA ASN 64 18.375 70.431 5.595 1.00 38.50 C ATOM 271 CB ASN 64 16.968 70.881 5.169 1.00 38.50 C ATOM 272 CG ASN 64 17.076 72.313 4.668 1.00 38.50 C ATOM 273 OD1 ASN 64 18.069 72.695 4.052 1.00 38.50 O ATOM 274 ND2 ASN 64 16.028 73.134 4.947 1.00 38.50 N ATOM 275 C ASN 64 18.243 69.027 6.167 1.00 38.50 C ATOM 276 O ASN 64 18.548 68.845 7.376 1.00 38.50 O ATOM 277 OXT ASN 64 17.834 68.116 5.401 1.00 38.50 O