EXPDTA THEORETICAL MODEL, MODELLER 9.15 2017/02/08 15:19:24 REMARK 6 MODELLER OBJECTIVE FUNCTION: -1906.1438 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 43.243 REMARK 6 SEQUENCE: model REMARK 6 DOPE score: -1906.14380 REMARK 6 GA341 score: 0.65754 REMARK 6 Normalized DOPE score: -0.74812 REMARK 6 TEMPLATE: 1ajj_A ATOM 1 N ARG 515 -4.453 12.604 9.373 1.00 80.31 N ATOM 2 CA ARG 515 -3.679 11.782 8.419 1.00 80.31 C ATOM 3 CB ARG 515 -3.065 12.676 7.334 1.00 80.31 C ATOM 4 CG ARG 515 -4.115 13.467 6.559 1.00 80.31 C ATOM 5 CD ARG 515 -3.497 14.513 5.638 1.00 80.31 C ATOM 6 NE ARG 515 -2.517 15.265 6.473 1.00 80.31 N ATOM 7 CZ ARG 515 -2.250 16.578 6.223 1.00 80.31 C ATOM 8 NH1 ARG 515 -2.901 17.236 5.221 1.00 80.31 N ATOM 9 NH2 ARG 515 -1.328 17.232 6.986 1.00 80.31 N ATOM 10 C ARG 515 -2.573 11.108 9.149 1.00 80.31 C ATOM 11 O ARG 515 -2.768 10.581 10.243 1.00 80.31 O ATOM 12 N CYS 516 -1.369 11.121 8.550 1.00 40.04 N ATOM 13 CA CYS 516 -0.247 10.462 9.141 1.00 40.04 C ATOM 14 CB CYS 516 0.882 10.148 8.142 1.00 40.04 C ATOM 15 SG CYS 516 0.374 8.914 6.913 1.00 40.04 S ATOM 16 C CYS 516 0.329 11.311 10.226 1.00 40.04 C ATOM 17 O CYS 516 0.005 12.488 10.372 1.00 40.04 O ATOM 18 N TYR 517 1.194 10.677 11.040 1.00105.66 N ATOM 19 CA TYR 517 1.915 11.294 12.113 1.00105.66 C ATOM 20 CB TYR 517 2.701 10.286 12.966 1.00105.66 C ATOM 21 CG TYR 517 1.740 9.309 13.549 1.00105.66 C ATOM 22 CD1 TYR 517 1.278 8.250 12.799 1.00105.66 C ATOM 23 CD2 TYR 517 1.307 9.442 14.848 1.00105.66 C ATOM 24 CE1 TYR 517 0.395 7.341 13.335 1.00105.66 C ATOM 25 CE2 TYR 517 0.425 8.537 15.389 1.00105.66 C ATOM 26 CZ TYR 517 -0.035 7.485 14.632 1.00105.66 C ATOM 27 OH TYR 517 -0.941 6.557 15.184 1.00105.66 O ATOM 28 C TYR 517 2.927 12.169 11.454 1.00105.66 C ATOM 29 O TYR 517 3.334 11.904 10.324 1.00105.66 O ATOM 30 N ALA 518 3.342 13.254 12.134 1.00 40.42 N ATOM 31 CA ALA 518 4.263 14.178 11.541 1.00 40.42 C ATOM 32 CB ALA 518 4.731 15.283 12.507 1.00 40.42 C ATOM 33 C ALA 518 5.479 13.437 11.075 1.00 40.42 C ATOM 34 O ALA 518 5.912 12.466 11.690 1.00 40.42 O ATOM 35 N ASN 519 6.003 13.887 9.914 1.00115.29 N ATOM 36 CA ASN 519 7.189 13.449 9.225 1.00115.29 C ATOM 37 CB ASN 519 8.506 13.670 9.999 1.00115.29 C ATOM 38 CG ASN 519 8.595 12.741 11.200 1.00115.29 C ATOM 39 OD1 ASN 519 8.277 13.125 12.324 1.00115.29 O ATOM 40 ND2 ASN 519 9.055 11.485 10.959 1.00115.29 N ATOM 41 C ASN 519 7.111 12.009 8.822 1.00115.29 C ATOM 42 O ASN 519 8.122 11.411 8.465 1.00115.29 O ATOM 43 N GLN 520 5.908 11.411 8.820 1.00 78.05 N ATOM 44 CA GLN 520 5.788 10.041 8.404 1.00 78.05 C ATOM 45 CB GLN 520 4.540 9.346 8.983 1.00 78.05 C ATOM 46 CG GLN 520 4.532 9.205 10.507 1.00 78.05 C ATOM 47 CD GLN 520 5.150 7.862 10.862 1.00 78.05 C ATOM 48 OE1 GLN 520 4.611 6.811 10.519 1.00 78.05 O ATOM 49 NE2 GLN 520 6.312 7.891 11.567 1.00 78.05 N ATOM 50 C GLN 520 5.588 10.072 6.925 1.00 78.05 C ATOM 51 O GLN 520 4.996 11.013 6.400 1.00 78.05 O ATOM 52 N PHE 521 6.095 9.049 6.209 1.00 60.39 N ATOM 53 CA PHE 521 5.874 9.009 4.790 1.00 60.39 C ATOM 54 CB PHE 521 6.873 8.121 4.039 1.00 60.39 C ATOM 55 CG PHE 521 6.573 8.185 2.576 1.00 60.39 C ATOM 56 CD1 PHE 521 6.955 9.273 1.823 1.00 60.39 C ATOM 57 CD2 PHE 521 5.919 7.147 1.953 1.00 60.39 C ATOM 58 CE1 PHE 521 6.683 9.327 0.476 1.00 60.39 C ATOM 59 CE2 PHE 521 5.643 7.194 0.606 1.00 60.39 C ATOM 60 CZ PHE 521 6.022 8.288 -0.135 1.00 60.39 C ATOM 61 C PHE 521 4.511 8.433 4.595 1.00 60.39 C ATOM 62 O PHE 521 4.120 7.486 5.275 1.00 60.39 O ATOM 63 N ARG 522 3.745 8.992 3.642 1.00128.23 N ATOM 64 CA ARG 522 2.408 8.515 3.466 1.00128.23 C ATOM 65 CB ARG 522 1.397 9.660 3.286 1.00128.23 C ATOM 66 CG ARG 522 1.425 10.672 4.436 1.00128.23 C ATOM 67 CD ARG 522 0.303 11.710 4.375 1.00128.23 C ATOM 68 NE ARG 522 0.479 12.504 3.126 1.00128.23 N ATOM 69 CZ ARG 522 1.228 13.647 3.125 1.00128.23 C ATOM 70 NH1 ARG 522 1.866 14.056 4.261 1.00128.23 N ATOM 71 NH2 ARG 522 1.337 14.387 1.984 1.00128.23 N ATOM 72 C ARG 522 2.372 7.688 2.220 1.00128.23 C ATOM 73 O ARG 522 2.547 8.201 1.116 1.00128.23 O ATOM 74 N CYS 523 2.132 6.371 2.378 1.00 48.49 N ATOM 75 CA CYS 523 2.055 5.484 1.255 1.00 48.49 C ATOM 76 CB CYS 523 1.977 4.003 1.663 1.00 48.49 C ATOM 77 SG CYS 523 3.358 3.471 2.719 1.00 48.49 S ATOM 78 C CYS 523 0.776 5.792 0.536 1.00 48.49 C ATOM 79 O CYS 523 -0.193 6.251 1.139 1.00 48.49 O ATOM 80 N ASN 524 0.755 5.539 -0.787 1.00 69.93 N ATOM 81 CA ASN 524 -0.401 5.764 -1.614 1.00 69.93 C ATOM 82 CB ASN 524 -0.131 5.453 -3.095 1.00 69.93 C ATOM 83 CG ASN 524 -1.258 6.024 -3.944 1.00 69.93 C ATOM 84 OD1 ASN 524 -2.211 6.606 -3.429 1.00 69.93 O ATOM 85 ND2 ASN 524 -1.142 5.854 -5.287 1.00 69.93 N ATOM 86 C ASN 524 -1.465 4.829 -1.135 1.00 69.93 C ATOM 87 O ASN 524 -2.655 5.130 -1.208 1.00 69.93 O ATOM 88 N ASN 525 -1.035 3.654 -0.638 1.00104.23 N ATOM 89 CA ASN 525 -1.903 2.641 -0.109 1.00104.23 C ATOM 90 CB ASN 525 -1.151 1.387 0.366 1.00104.23 C ATOM 91 CG ASN 525 -2.181 0.411 0.918 1.00104.23 C ATOM 92 OD1 ASN 525 -2.463 0.403 2.117 1.00104.23 O ATOM 93 ND2 ASN 525 -2.778 -0.421 0.024 1.00104.23 N ATOM 94 C ASN 525 -2.616 3.218 1.069 1.00104.23 C ATOM 95 O ASN 525 -3.718 2.788 1.394 1.00104.23 O ATOM 96 N GLY 526 -2.002 4.192 1.765 1.00 35.48 N ATOM 97 CA GLY 526 -2.712 4.806 2.852 1.00 35.48 C ATOM 98 C GLY 526 -1.997 4.594 4.154 1.00 35.48 C ATOM 99 O GLY 526 -2.217 5.349 5.099 1.00 35.48 O ATOM 100 N ASP 527 -1.116 3.582 4.258 1.00 89.76 N ATOM 101 CA ASP 527 -0.455 3.389 5.522 1.00 89.76 C ATOM 102 CB ASP 527 0.217 2.015 5.685 1.00 89.76 C ATOM 103 CG ASP 527 1.303 1.870 4.625 1.00 89.76 C ATOM 104 OD1 ASP 527 0.944 1.808 3.420 1.00 89.76 O ATOM 105 OD2 ASP 527 2.503 1.823 5.007 1.00 89.76 O ATOM 106 C ASP 527 0.609 4.429 5.682 1.00 89.76 C ATOM 107 O ASP 527 1.042 5.053 4.714 1.00 89.76 O ATOM 108 N CYS 528 1.054 4.636 6.940 1.00 40.88 N ATOM 109 CA CYS 528 2.051 5.623 7.247 1.00 40.88 C ATOM 110 CB CYS 528 1.611 6.562 8.382 1.00 40.88 C ATOM 111 SG CYS 528 -0.025 7.284 8.052 1.00 40.88 S ATOM 112 C CYS 528 3.269 4.887 7.718 1.00 40.88 C ATOM 113 O CYS 528 3.168 3.943 8.502 1.00 40.88 O ATOM 114 N VAL 529 4.460 5.310 7.252 1.00 96.56 N ATOM 115 CA VAL 529 5.667 4.629 7.632 1.00 96.56 C ATOM 116 CB VAL 529 6.307 3.910 6.482 1.00 96.56 C ATOM 117 CG1 VAL 529 5.318 2.852 5.963 1.00 96.56 C ATOM 118 CG2 VAL 529 6.724 4.950 5.426 1.00 96.56 C ATOM 119 C VAL 529 6.651 5.644 8.118 1.00 96.56 C ATOM 120 O VAL 529 6.473 6.845 7.925 1.00 96.56 O ATOM 121 N SER 530 7.729 5.171 8.773 1.00 72.68 N ATOM 122 CA SER 530 8.707 6.073 9.309 1.00 72.68 C ATOM 123 CB SER 530 9.828 5.379 10.101 1.00 72.68 C ATOM 124 OG SER 530 10.589 4.542 9.245 1.00 72.68 O ATOM 125 C SER 530 9.333 6.810 8.167 1.00 72.68 C ATOM 126 O SER 530 9.446 6.298 7.056 1.00 72.68 O ATOM 127 N GLY 531 9.766 8.051 8.443 1.00 30.02 N ATOM 128 CA GLY 531 10.329 8.937 7.466 1.00 30.02 C ATOM 129 C GLY 531 11.573 8.324 6.904 1.00 30.02 C ATOM 130 O GLY 531 11.913 8.547 5.743 1.00 30.02 O ATOM 131 N SER 532 12.312 7.576 7.738 1.00 76.42 N ATOM 132 CA SER 532 13.541 6.959 7.335 1.00 76.42 C ATOM 133 CB SER 532 14.262 6.279 8.511 1.00 76.42 C ATOM 134 OG SER 532 13.453 5.244 9.047 1.00 76.42 O ATOM 135 C SER 532 13.258 5.904 6.309 1.00 76.42 C ATOM 136 O SER 532 14.130 5.552 5.517 1.00 76.42 O ATOM 137 N ALA 533 12.015 5.387 6.310 1.00 60.36 N ATOM 138 CA ALA 533 11.546 4.324 5.469 1.00 60.36 C ATOM 139 CB ALA 533 10.098 3.911 5.784 1.00 60.36 C ATOM 140 C ALA 533 11.593 4.728 4.029 1.00 60.36 C ATOM 141 O ALA 533 11.755 3.877 3.159 1.00 60.36 O ATOM 142 N PRO 534 11.375 5.969 3.715 1.00148.50 N ATOM 143 CA PRO 534 11.471 6.319 2.333 1.00148.50 C ATOM 144 CD PRO 534 10.303 6.704 4.364 1.00148.50 C ATOM 145 CB PRO 534 10.859 7.710 2.210 1.00148.50 C ATOM 146 CG PRO 534 9.778 7.690 3.305 1.00148.50 C ATOM 147 C PRO 534 12.844 6.160 1.760 1.00148.50 C ATOM 148 O PRO 534 13.814 6.646 2.341 1.00148.50 O ATOM 149 N CYS 535 12.917 5.490 0.592 1.00 93.25 N ATOM 150 CA CYS 535 14.120 5.251 -0.158 1.00 93.25 C ATOM 151 CB CYS 535 14.759 6.527 -0.731 1.00 93.25 C ATOM 152 SG CYS 535 13.689 7.350 -1.947 1.00 93.25 S ATOM 153 C CYS 535 15.145 4.527 0.662 1.00 93.25 C ATOM 154 O CYS 535 16.344 4.759 0.515 1.00 93.25 O ATOM 155 N ASN 536 14.686 3.648 1.571 1.00 75.81 N ATOM 156 CA ASN 536 15.540 2.825 2.383 1.00 75.81 C ATOM 157 CB ASN 536 14.821 2.253 3.618 1.00 75.81 C ATOM 158 CG ASN 536 13.675 1.357 3.175 1.00 75.81 C ATOM 159 OD1 ASN 536 13.102 1.537 2.101 1.00 75.81 O ATOM 160 ND2 ASN 536 13.324 0.360 4.030 1.00 75.81 N ATOM 161 C ASN 536 16.085 1.692 1.565 1.00 75.81 C ATOM 162 O ASN 536 17.185 1.208 1.825 1.00 75.81 O ATOM 163 N GLY 537 15.320 1.228 0.554 1.00 38.35 N ATOM 164 CA GLY 537 15.733 0.119 -0.258 1.00 38.35 C ATOM 165 C GLY 537 14.773 -1.012 -0.039 1.00 38.35 C ATOM 166 O GLY 537 14.574 -1.839 -0.926 1.00 38.35 O ATOM 167 N TYR 538 14.108 -1.060 1.131 1.00151.55 N ATOM 168 CA TYR 538 13.211 -2.148 1.411 1.00151.55 C ATOM 169 CB TYR 538 13.402 -2.707 2.830 1.00151.55 C ATOM 170 CG TYR 538 12.449 -3.829 3.045 1.00151.55 C ATOM 171 CD1 TYR 538 12.698 -5.065 2.496 1.00151.55 C ATOM 172 CD2 TYR 538 11.319 -3.650 3.810 1.00151.55 C ATOM 173 CE1 TYR 538 11.827 -6.107 2.696 1.00151.55 C ATOM 174 CE2 TYR 538 10.445 -4.691 4.013 1.00151.55 C ATOM 175 CZ TYR 538 10.696 -5.921 3.456 1.00151.55 C ATOM 176 OH TYR 538 9.800 -6.991 3.665 1.00151.55 O ATOM 177 C TYR 538 11.813 -1.624 1.304 1.00151.55 C ATOM 178 O TYR 538 11.463 -0.619 1.922 1.00151.55 O ATOM 179 N SER 539 10.976 -2.295 0.483 1.00 60.74 N ATOM 180 CA SER 539 9.623 -1.872 0.233 1.00 60.74 C ATOM 181 CB SER 539 8.952 -2.685 -0.882 1.00 60.74 C ATOM 182 OG SER 539 9.633 -2.500 -2.113 1.00 60.74 O ATOM 183 C SER 539 8.783 -2.043 1.463 1.00 60.74 C ATOM 184 O SER 539 8.519 -3.163 1.898 1.00 60.74 O ATOM 185 N GLU 540 8.406 -0.910 2.093 1.00112.68 N ATOM 186 CA GLU 540 7.538 -0.868 3.242 1.00112.68 C ATOM 187 CB GLU 540 7.784 0.394 4.080 1.00112.68 C ATOM 188 CG GLU 540 9.177 0.438 4.710 1.00112.68 C ATOM 189 CD GLU 540 9.202 -0.588 5.833 1.00112.68 C ATOM 190 OE1 GLU 540 9.192 -1.807 5.518 1.00112.68 O ATOM 191 OE2 GLU 540 9.222 -0.167 7.022 1.00112.68 O ATOM 192 C GLU 540 6.072 -0.882 2.887 1.00112.68 C ATOM 193 O GLU 540 5.276 -1.572 3.523 1.00112.68 O ATOM 194 N CYS 541 5.677 -0.092 1.862 1.00 61.24 N ATOM 195 CA CYS 541 4.291 0.115 1.521 1.00 61.24 C ATOM 196 CB CYS 541 4.092 1.372 0.650 1.00 61.24 C ATOM 197 SG CYS 541 4.779 2.881 1.396 1.00 61.24 S ATOM 198 C CYS 541 3.787 -1.050 0.733 1.00 61.24 C ATOM 199 O CYS 541 4.546 -1.746 0.064 1.00 61.24 O ATOM 200 N SER 542 2.464 -1.295 0.790 1.00 34.97 N ATOM 201 CA SER 542 1.919 -2.385 0.035 1.00 34.97 C ATOM 202 CB SER 542 0.407 -2.557 0.244 1.00 34.97 C ATOM 203 OG SER 542 -0.275 -1.403 -0.223 1.00 34.97 O ATOM 204 C SER 542 2.142 -2.088 -1.416 1.00 34.97 C ATOM 205 O SER 542 2.503 -2.970 -2.194 1.00 34.97 O ATOM 206 N ASP 543 1.896 -0.821 -1.809 1.00 77.71 N ATOM 207 CA ASP 543 2.074 -0.328 -3.148 1.00 77.71 C ATOM 208 CB ASP 543 1.312 0.982 -3.442 1.00 77.71 C ATOM 209 CG ASP 543 1.803 2.106 -2.545 1.00 77.71 C ATOM 210 OD1 ASP 543 2.447 1.808 -1.505 1.00 77.71 O ATOM 211 OD2 ASP 543 1.536 3.287 -2.890 1.00 77.71 O ATOM 212 C ASP 543 3.536 -0.146 -3.447 1.00 77.71 C ATOM 213 O ASP 543 3.923 -0.020 -4.607 1.00 77.71 O ATOM 214 N HIS 544 4.389 -0.096 -2.405 1.00 75.21 N ATOM 215 CA HIS 544 5.808 0.081 -2.569 1.00 75.21 C ATOM 216 ND1 HIS 544 6.623 -3.174 -2.468 1.00 75.21 N ATOM 217 CG HIS 544 5.996 -2.323 -3.348 1.00 75.21 C ATOM 218 CB HIS 544 6.400 -0.899 -3.596 1.00 75.21 C ATOM 219 NE2 HIS 544 4.966 -4.330 -3.392 1.00 75.21 N ATOM 220 CD2 HIS 544 4.985 -3.045 -3.905 1.00 75.21 C ATOM 221 CE1 HIS 544 5.967 -4.359 -2.532 1.00 75.21 C ATOM 222 C HIS 544 6.086 1.463 -3.081 1.00 75.21 C ATOM 223 O HIS 544 7.130 1.714 -3.679 1.00 75.21 O ATOM 224 N SER 545 5.177 2.415 -2.800 1.00 48.03 N ATOM 225 CA SER 545 5.310 3.775 -3.249 1.00 48.03 C ATOM 226 CB SER 545 4.062 4.616 -2.934 1.00 48.03 C ATOM 227 OG SER 545 3.835 4.640 -1.533 1.00 48.03 O ATOM 228 C SER 545 6.478 4.423 -2.564 1.00 48.03 C ATOM 229 O SER 545 7.066 5.370 -3.082 1.00 48.03 O ATOM 230 N ASP 546 6.846 3.924 -1.372 1.00 79.00 N ATOM 231 CA ASP 546 7.921 4.488 -0.604 1.00 79.00 C ATOM 232 CB ASP 546 8.067 3.830 0.780 1.00 79.00 C ATOM 233 CG ASP 546 8.332 2.341 0.590 1.00 79.00 C ATOM 234 OD1 ASP 546 7.588 1.701 -0.200 1.00 79.00 O ATOM 235 OD2 ASP 546 9.283 1.822 1.234 1.00 79.00 O ATOM 236 C ASP 546 9.215 4.330 -1.342 1.00 79.00 C ATOM 237 O ASP 546 10.162 5.080 -1.108 1.00 79.00 O ATOM 238 N GLU 547 9.320 3.264 -2.152 1.00159.30 N ATOM 239 CA GLU 547 10.475 2.975 -2.952 1.00159.30 C ATOM 240 CB GLU 547 10.570 1.491 -3.308 1.00159.30 C ATOM 241 CG GLU 547 12.023 1.077 -3.476 1.00159.30 C ATOM 242 CD GLU 547 12.635 1.200 -2.087 1.00159.30 C ATOM 243 OE1 GLU 547 12.263 0.381 -1.206 1.00159.30 O ATOM 244 OE2 GLU 547 13.467 2.123 -1.880 1.00159.30 O ATOM 245 C GLU 547 10.513 3.779 -4.225 1.00159.30 C ATOM 246 O GLU 547 11.581 4.042 -4.773 1.00159.30 O ATOM 247 N LEU 548 9.346 4.174 -4.764 1.00132.04 N ATOM 248 CA LEU 548 9.330 4.809 -6.054 1.00132.04 C ATOM 249 CB LEU 548 7.899 5.044 -6.579 1.00132.04 C ATOM 250 CG LEU 548 7.807 5.583 -8.021 1.00132.04 C ATOM 251 CD1 LEU 548 8.167 7.071 -8.107 1.00132.04 C ATOM 252 CD2 LEU 548 8.627 4.712 -8.988 1.00132.04 C ATOM 253 C LEU 548 10.091 6.103 -5.993 1.00132.04 C ATOM 254 O LEU 548 10.115 6.785 -4.971 1.00132.04 O ATOM 255 N ASN 549 10.741 6.465 -7.119 1.00 51.85 N ATOM 256 CA ASN 549 11.567 7.640 -7.213 1.00 51.85 C ATOM 257 CB ASN 549 10.894 8.935 -6.720 1.00 51.85 C ATOM 258 CG ASN 549 9.893 9.430 -7.752 1.00 51.85 C ATOM 259 OD1 ASN 549 10.175 9.457 -8.949 1.00 51.85 O ATOM 260 ND2 ASN 549 8.687 9.836 -7.275 1.00 51.85 N ATOM 261 C ASN 549 12.772 7.451 -6.353 1.00 51.85 C ATOM 262 O ASN 549 13.403 8.424 -5.944 1.00 51.85 O ATOM 263 N CYS 550 13.140 6.187 -6.067 1.00 38.55 N ATOM 264 CA CYS 550 14.306 5.972 -5.264 1.00 38.55 C ATOM 265 CB CYS 550 14.045 5.113 -4.009 1.00 38.55 C ATOM 266 SG CYS 550 12.772 5.813 -2.912 1.00 38.55 S ATOM 267 C CYS 550 15.273 5.216 -6.118 1.00 38.55 C ATOM 268 O CYS 550 14.969 4.128 -6.603 1.00 38.55 O ATOM 269 N GLY 551 16.473 5.785 -6.325 1.00 8.10 N ATOM 270 CA GLY 551 17.446 5.113 -7.131 1.00 8.10 C ATOM 271 C GLY 551 18.780 5.257 -6.416 1.00 8.10 C ATOM 272 O GLY 551 18.818 4.977 -5.188 1.00 8.10 O ATOM 273 OXT GLY 551 19.777 5.645 -7.083 1.00 8.10 O