EXPDTA THEORETICAL MODEL, MODELLER 9.15 2017/02/08 15:17:51 REMARK 6 MODELLER OBJECTIVE FUNCTION: -3988.3806 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 25.000 REMARK 6 SEQUENCE: model REMARK 6 DOPE score: -3988.38062 REMARK 6 GA341 score: 0.51880 REMARK 6 Normalized DOPE score: -0.21740 REMARK 6 TEMPLATE: d1dqca_ ATOM 1 N ASP 39 2.045 -14.863 4.090 1.00 87.80 N ATOM 2 CA ASP 39 1.507 -13.537 3.716 1.00 87.80 C ATOM 3 CB ASP 39 2.649 -12.517 3.593 1.00 87.80 C ATOM 4 CG ASP 39 3.263 -12.325 4.968 1.00 87.80 C ATOM 5 OD1 ASP 39 2.775 -12.982 5.926 1.00 87.80 O ATOM 6 OD2 ASP 39 4.224 -11.519 5.080 1.00 87.80 O ATOM 7 C ASP 39 0.868 -13.647 2.377 1.00 87.80 C ATOM 8 O ASP 39 0.603 -14.745 1.890 1.00 87.80 O ATOM 9 N GLU 40 0.573 -12.492 1.755 1.00 72.55 N ATOM 10 CA GLU 40 0.031 -12.521 0.433 1.00 72.55 C ATOM 11 CB GLU 40 -1.422 -12.031 0.325 1.00 72.55 C ATOM 12 CG GLU 40 -2.451 -13.060 0.796 1.00 72.55 C ATOM 13 CD GLU 40 -2.433 -14.214 -0.202 1.00 72.55 C ATOM 14 OE1 GLU 40 -1.651 -14.133 -1.187 1.00 72.55 O ATOM 15 OE2 GLU 40 -3.195 -15.194 0.010 1.00 72.55 O ATOM 16 C GLU 40 0.879 -11.623 -0.401 1.00 72.55 C ATOM 17 O GLU 40 1.184 -10.496 -0.015 1.00 72.55 O ATOM 18 N TYR 41 1.282 -12.114 -1.584 1.00 50.93 N ATOM 19 CA TYR 41 2.138 -11.358 -2.450 1.00 50.93 C ATOM 20 CB TYR 41 3.322 -12.189 -2.973 1.00 50.93 C ATOM 21 CG TYR 41 4.215 -12.498 -1.820 1.00 50.93 C ATOM 22 CD1 TYR 41 3.892 -13.482 -0.913 1.00 50.93 C ATOM 23 CD2 TYR 41 5.390 -11.803 -1.656 1.00 50.93 C ATOM 24 CE1 TYR 41 4.729 -13.754 0.146 1.00 50.93 C ATOM 25 CE2 TYR 41 6.230 -12.072 -0.601 1.00 50.93 C ATOM 26 CZ TYR 41 5.899 -13.049 0.304 1.00 50.93 C ATOM 27 OH TYR 41 6.763 -13.322 1.387 1.00 50.93 O ATOM 28 C TYR 41 1.316 -10.951 -3.629 1.00 50.93 C ATOM 29 O TYR 41 0.631 -11.776 -4.230 1.00 50.93 O ATOM 30 N PHE 42 1.345 -9.655 -3.997 1.00103.79 N ATOM 31 CA PHE 42 0.518 -9.253 -5.098 1.00103.79 C ATOM 32 CB PHE 42 -0.603 -8.266 -4.725 1.00103.79 C ATOM 33 CG PHE 42 -1.647 -9.028 -3.983 1.00103.79 C ATOM 34 CD1 PHE 42 -1.528 -9.255 -2.632 1.00103.79 C ATOM 35 CD2 PHE 42 -2.749 -9.521 -4.645 1.00103.79 C ATOM 36 CE1 PHE 42 -2.494 -9.957 -1.950 1.00103.79 C ATOM 37 CE2 PHE 42 -3.717 -10.223 -3.967 1.00103.79 C ATOM 38 CZ PHE 42 -3.593 -10.443 -2.616 1.00103.79 C ATOM 39 C PHE 42 1.345 -8.611 -6.157 1.00103.79 C ATOM 40 O PHE 42 2.446 -8.121 -5.911 1.00103.79 O ATOM 41 N ARG 43 0.793 -8.618 -7.382 1.00101.77 N ATOM 42 CA ARG 43 1.409 -8.085 -8.556 1.00101.77 C ATOM 43 CB ARG 43 0.574 -8.330 -9.822 1.00101.77 C ATOM 44 CG ARG 43 -0.842 -7.770 -9.695 1.00101.77 C ATOM 45 CD ARG 43 -1.720 -7.981 -10.929 1.00101.77 C ATOM 46 NE ARG 43 -3.116 -7.667 -10.514 1.00101.77 N ATOM 47 CZ ARG 43 -3.987 -7.073 -11.383 1.00101.77 C ATOM 48 NH1 ARG 43 -3.566 -6.718 -12.631 1.00101.77 N ATOM 49 NH2 ARG 43 -5.275 -6.835 -11.002 1.00101.77 N ATOM 50 C ARG 43 1.545 -6.611 -8.408 1.00101.77 C ATOM 51 O ARG 43 0.757 -5.943 -7.740 1.00101.77 O ATOM 52 N LEU 44 2.601 -6.096 -9.049 1.00215.25 N ATOM 53 CA LEU 44 3.000 -4.729 -9.060 1.00215.25 C ATOM 54 CB LEU 44 4.539 -4.764 -8.871 1.00215.25 C ATOM 55 CG LEU 44 5.409 -3.495 -8.897 1.00215.25 C ATOM 56 CD1 LEU 44 6.801 -3.841 -8.345 1.00215.25 C ATOM 57 CD2 LEU 44 5.590 -2.913 -10.311 1.00215.25 C ATOM 58 C LEU 44 2.587 -4.213 -10.403 1.00215.25 C ATOM 59 O LEU 44 2.929 -3.101 -10.785 1.00215.25 O ATOM 60 N GLU 45 1.755 -4.983 -11.134 1.00 48.85 N ATOM 61 CA GLU 45 1.352 -4.528 -12.435 1.00 48.85 C ATOM 62 CB GLU 45 0.359 -5.464 -13.156 1.00 48.85 C ATOM 63 CG GLU 45 0.937 -6.787 -13.671 1.00 48.85 C ATOM 64 CD GLU 45 -0.165 -7.511 -14.446 1.00 48.85 C ATOM 65 OE1 GLU 45 -1.144 -7.973 -13.804 1.00 48.85 O ATOM 66 OE2 GLU 45 -0.040 -7.606 -15.698 1.00 48.85 O ATOM 67 C GLU 45 0.630 -3.235 -12.245 1.00 48.85 C ATOM 68 O GLU 45 0.874 -2.261 -12.955 1.00 48.85 O ATOM 69 N THR 46 -0.264 -3.196 -11.241 1.00 43.34 N ATOM 70 CA THR 46 -1.028 -2.020 -10.957 1.00 43.34 C ATOM 71 CB THR 46 -2.057 -2.247 -9.887 1.00 43.34 C ATOM 72 OG1 THR 46 -2.969 -3.257 -10.296 1.00 43.34 O ATOM 73 CG2 THR 46 -2.805 -0.931 -9.611 1.00 43.34 C ATOM 74 C THR 46 -0.118 -0.927 -10.491 1.00 43.34 C ATOM 75 O THR 46 -0.274 0.225 -10.894 1.00 43.34 O ATOM 76 N ASP 47 0.877 -1.257 -9.644 1.00201.59 N ATOM 77 CA ASP 47 1.690 -0.215 -9.084 1.00201.59 C ATOM 78 CB ASP 47 2.298 -0.580 -7.721 1.00201.59 C ATOM 79 CG ASP 47 1.146 -0.536 -6.727 1.00201.59 C ATOM 80 OD1 ASP 47 0.805 0.580 -6.255 1.00201.59 O ATOM 81 OD2 ASP 47 0.586 -1.627 -6.434 1.00201.59 O ATOM 82 C ASP 47 2.781 0.188 -10.022 1.00201.59 C ATOM 83 O ASP 47 3.286 -0.600 -10.817 1.00201.59 O ATOM 84 N GLY 48 3.113 1.490 -9.996 1.00 60.10 N ATOM 85 CA GLY 48 4.142 2.033 -10.829 1.00 60.10 C ATOM 86 C GLY 48 5.498 1.553 -10.412 1.00 60.10 C ATOM 87 O GLY 48 6.311 1.174 -11.253 1.00 60.10 O ATOM 88 N ASP 49 5.784 1.555 -9.093 1.00116.35 N ATOM 89 CA ASP 49 7.107 1.212 -8.654 1.00116.35 C ATOM 90 CB ASP 49 7.319 1.374 -7.134 1.00116.35 C ATOM 91 CG ASP 49 6.356 0.460 -6.383 1.00116.35 C ATOM 92 OD1 ASP 49 5.256 0.173 -6.930 1.00116.35 O ATOM 93 OD2 ASP 49 6.707 0.035 -5.253 1.00116.35 O ATOM 94 C ASP 49 7.397 -0.194 -9.041 1.00116.35 C ATOM 95 O ASP 49 6.717 -1.111 -8.594 1.00116.35 O ATOM 96 N CYS 50 8.376 -0.382 -9.949 1.00120.86 N ATOM 97 CA CYS 50 8.788 -1.684 -10.394 1.00120.86 C ATOM 98 CB CYS 50 9.558 -1.672 -11.721 1.00120.86 C ATOM 99 SG CYS 50 8.491 -1.147 -13.091 1.00120.86 S ATOM 100 C CYS 50 9.633 -2.392 -9.379 1.00120.86 C ATOM 101 O CYS 50 9.579 -3.614 -9.265 1.00120.86 O ATOM 102 N ARG 51 10.490 -1.658 -8.648 1.00107.26 N ATOM 103 CA ARG 51 11.379 -2.315 -7.734 1.00107.26 C ATOM 104 CB ARG 51 12.447 -1.356 -7.179 1.00107.26 C ATOM 105 CG ARG 51 13.347 -0.781 -8.282 1.00107.26 C ATOM 106 CD ARG 51 14.471 0.131 -7.780 1.00107.26 C ATOM 107 NE ARG 51 15.241 0.599 -8.971 1.00107.26 N ATOM 108 CZ ARG 51 16.381 1.330 -8.799 1.00107.26 C ATOM 109 NH1 ARG 51 16.830 1.605 -7.541 1.00107.26 N ATOM 110 NH2 ARG 51 17.075 1.786 -9.884 1.00107.26 N ATOM 111 C ARG 51 10.625 -2.931 -6.588 1.00107.26 C ATOM 112 O ARG 51 10.882 -4.072 -6.207 1.00107.26 O ATOM 113 N GLU 52 9.647 -2.200 -6.022 1.00 93.52 N ATOM 114 CA GLU 52 8.959 -2.683 -4.858 1.00 93.52 C ATOM 115 CB GLU 52 8.664 -1.558 -3.852 1.00 93.52 C ATOM 116 CG GLU 52 9.926 -0.867 -3.330 1.00 93.52 C ATOM 117 CD GLU 52 10.481 -0.006 -4.455 1.00 93.52 C ATOM 118 OE1 GLU 52 9.684 0.355 -5.362 1.00 93.52 O ATOM 119 OE2 GLU 52 11.705 0.288 -4.431 1.00 93.52 O ATOM 120 C GLU 52 7.638 -3.250 -5.275 1.00 93.52 C ATOM 121 O GLU 52 6.827 -2.578 -5.909 1.00 93.52 O ATOM 122 N VAL 53 7.396 -4.520 -4.903 1.00126.38 N ATOM 123 CA VAL 53 6.180 -5.216 -5.200 1.00126.38 C ATOM 124 CB VAL 53 6.371 -6.710 -5.209 1.00126.38 C ATOM 125 CG1 VAL 53 6.819 -7.163 -3.810 1.00126.38 C ATOM 126 CG2 VAL 53 5.072 -7.374 -5.681 1.00126.38 C ATOM 127 C VAL 53 5.215 -4.855 -4.115 1.00126.38 C ATOM 128 O VAL 53 5.588 -4.196 -3.150 1.00126.38 O ATOM 129 N TYR 54 3.924 -5.207 -4.278 1.00 84.28 N ATOM 130 CA TYR 54 2.977 -4.929 -3.238 1.00 84.28 C ATOM 131 CB TYR 54 1.741 -4.139 -3.694 1.00 84.28 C ATOM 132 CG TYR 54 2.079 -2.693 -3.635 1.00 84.28 C ATOM 133 CD1 TYR 54 2.902 -2.089 -4.557 1.00 84.28 C ATOM 134 CD2 TYR 54 1.534 -1.934 -2.625 1.00 84.28 C ATOM 135 CE1 TYR 54 3.182 -0.745 -4.457 1.00 84.28 C ATOM 136 CE2 TYR 54 1.809 -0.595 -2.520 1.00 84.28 C ATOM 137 CZ TYR 54 2.635 0.002 -3.440 1.00 84.28 C ATOM 138 OH TYR 54 2.919 1.380 -3.332 1.00 84.28 O ATOM 139 C TYR 54 2.488 -6.209 -2.660 1.00 84.28 C ATOM 140 O TYR 54 2.015 -7.092 -3.372 1.00 84.28 O ATOM 141 N ARG 55 2.614 -6.348 -1.328 1.00115.56 N ATOM 142 CA ARG 55 2.109 -7.539 -0.725 1.00115.56 C ATOM 143 CB ARG 55 3.175 -8.420 -0.052 1.00115.56 C ATOM 144 CG ARG 55 3.883 -7.748 1.123 1.00115.56 C ATOM 145 CD ARG 55 4.804 -8.690 1.901 1.00115.56 C ATOM 146 NE ARG 55 5.368 -7.911 3.040 1.00115.56 N ATOM 147 CZ ARG 55 6.222 -8.498 3.928 1.00115.56 C ATOM 148 NH1 ARG 55 6.588 -9.804 3.771 1.00115.56 N ATOM 149 NH2 ARG 55 6.713 -7.781 4.981 1.00115.56 N ATOM 150 C ARG 55 1.163 -7.117 0.343 1.00115.56 C ATOM 151 O ARG 55 1.484 -6.284 1.189 1.00115.56 O ATOM 152 N CYS 56 -0.059 -7.669 0.311 1.00 48.46 N ATOM 153 CA CYS 56 -0.981 -7.347 1.351 1.00 48.46 C ATOM 154 CB CYS 56 -2.426 -7.753 1.017 1.00 48.46 C ATOM 155 SG CYS 56 -3.042 -6.896 -0.465 1.00 48.46 S ATOM 156 C CYS 56 -0.527 -8.128 2.539 1.00 48.46 C ATOM 157 O CYS 56 -0.168 -9.298 2.415 1.00 48.46 O ATOM 158 N ASP 57 -0.513 -7.503 3.731 1.00 70.86 N ATOM 159 CA ASP 57 -0.047 -8.232 4.873 1.00 70.86 C ATOM 160 CB ASP 57 0.911 -7.416 5.757 1.00 70.86 C ATOM 161 CG ASP 57 1.623 -8.363 6.714 1.00 70.86 C ATOM 162 OD1 ASP 57 1.274 -9.572 6.722 1.00 70.86 O ATOM 163 OD2 ASP 57 2.532 -7.887 7.446 1.00 70.86 O ATOM 164 C ASP 57 -1.244 -8.594 5.683 1.00 70.86 C ATOM 165 O ASP 57 -1.845 -7.746 6.340 1.00 70.86 O ATOM 166 N SER 58 -1.634 -9.880 5.627 1.00 94.50 N ATOM 167 CA SER 58 -2.780 -10.343 6.350 1.00 94.50 C ATOM 168 CB SER 58 -3.130 -11.807 6.029 1.00 94.50 C ATOM 169 OG SER 58 -4.284 -12.207 6.753 1.00 94.50 O ATOM 170 C SER 58 -2.458 -10.268 7.803 1.00 94.50 C ATOM 171 O SER 58 -3.301 -9.920 8.628 1.00 94.50 O ATOM 172 N ALA 59 -1.193 -10.561 8.145 1.00182.79 N ATOM 173 CA ALA 59 -0.805 -10.601 9.519 1.00182.79 C ATOM 174 CB ALA 59 0.663 -11.005 9.736 1.00182.79 C ATOM 175 C ALA 59 -0.996 -9.244 10.101 1.00182.79 C ATOM 176 O ALA 59 -0.983 -8.237 9.396 1.00182.79 O ATOM 177 N GLY 60 -1.209 -9.208 11.430 1.00 77.48 N ATOM 178 CA GLY 60 -1.411 -7.980 12.137 1.00 77.48 C ATOM 179 C GLY 60 -2.854 -7.916 12.513 1.00 77.48 C ATOM 180 O GLY 60 -3.730 -8.250 11.719 1.00 77.48 O ATOM 181 N GLU 61 -3.123 -7.478 13.758 1.00144.88 N ATOM 182 CA GLU 61 -4.468 -7.379 14.238 1.00144.88 C ATOM 183 CB GLU 61 -4.526 -6.835 15.673 1.00144.88 C ATOM 184 CG GLU 61 -5.946 -6.713 16.224 1.00144.88 C ATOM 185 CD GLU 61 -6.309 -8.057 16.825 1.00144.88 C ATOM 186 OE1 GLU 61 -5.454 -8.977 16.746 1.00144.88 O ATOM 187 OE2 GLU 61 -7.436 -8.183 17.374 1.00144.88 O ATOM 188 C GLU 61 -5.173 -6.373 13.396 1.00144.88 C ATOM 189 O GLU 61 -6.260 -6.622 12.878 1.00144.88 O ATOM 190 N ASP 62 -4.534 -5.201 13.232 1.00232.15 N ATOM 191 CA ASP 62 -5.114 -4.132 12.478 1.00232.15 C ATOM 192 CB ASP 62 -4.564 -2.754 12.897 1.00232.15 C ATOM 193 CG ASP 62 -5.438 -1.652 12.313 1.00232.15 C ATOM 194 OD1 ASP 62 -6.509 -1.973 11.735 1.00232.15 O ATOM 195 OD2 ASP 62 -5.038 -0.464 12.446 1.00232.15 O ATOM 196 C ASP 62 -4.764 -4.342 11.042 1.00232.15 C ATOM 197 O ASP 62 -3.757 -4.969 10.726 1.00232.15 O ATOM 198 N GLY 63 -5.634 -3.858 10.136 1.00290.84 N ATOM 199 CA GLY 63 -5.371 -3.882 8.727 1.00290.84 C ATOM 200 C GLY 63 -5.822 -5.188 8.166 1.00290.84 C ATOM 201 O GLY 63 -5.212 -6.225 8.420 1.00290.84 O ATOM 202 N THR 64 -6.905 -5.170 7.365 1.00151.20 N ATOM 203 CA THR 64 -7.295 -6.387 6.720 1.00151.20 C ATOM 204 CB THR 64 -8.565 -6.282 5.923 1.00151.20 C ATOM 205 OG1 THR 64 -8.395 -5.373 4.846 1.00151.20 O ATOM 206 CG2 THR 64 -9.704 -5.809 6.841 1.00151.20 C ATOM 207 C THR 64 -6.199 -6.668 5.752 1.00151.20 C ATOM 208 O THR 64 -5.745 -7.802 5.604 1.00151.20 O ATOM 209 N TRP 65 -5.744 -5.599 5.069 1.00188.67 N ATOM 210 CA TRP 65 -4.686 -5.731 4.117 1.00188.67 C ATOM 211 CB TRP 65 -5.118 -5.422 2.676 1.00188.67 C ATOM 212 CG TRP 65 -6.205 -6.299 2.107 1.00188.67 C ATOM 213 CD2 TRP 65 -6.874 -6.017 0.868 1.00188.67 C ATOM 214 CD1 TRP 65 -6.769 -7.440 2.598 1.00188.67 C ATOM 215 NE1 TRP 65 -7.748 -7.886 1.741 1.00188.67 N ATOM 216 CE2 TRP 65 -7.824 -7.018 0.673 1.00188.67 C ATOM 217 CE3 TRP 65 -6.714 -4.999 -0.029 1.00188.67 C ATOM 218 CZ2 TRP 65 -8.630 -7.022 -0.430 1.00188.67 C ATOM 219 CZ3 TRP 65 -7.527 -5.009 -1.141 1.00188.67 C ATOM 220 CH2 TRP 65 -8.465 -5.999 -1.338 1.00188.67 C ATOM 221 C TRP 65 -3.696 -4.655 4.419 1.00188.67 C ATOM 222 O TRP 65 -4.066 -3.496 4.594 1.00188.67 O ATOM 223 N ARG 66 -2.401 -5.014 4.491 1.00133.40 N ATOM 224 CA ARG 66 -1.390 -4.009 4.638 1.00133.40 C ATOM 225 CB ARG 66 -0.317 -4.288 5.704 1.00133.40 C ATOM 226 CG ARG 66 -0.667 -3.774 7.097 1.00133.40 C ATOM 227 CD ARG 66 -1.810 -4.510 7.784 1.00133.40 C ATOM 228 NE ARG 66 -1.950 -3.872 9.118 1.00133.40 N ATOM 229 CZ ARG 66 -1.085 -4.217 10.114 1.00133.40 C ATOM 230 NH1 ARG 66 -0.109 -5.140 9.872 1.00133.40 N ATOM 231 NH2 ARG 66 -1.187 -3.629 11.342 1.00133.40 N ATOM 232 C ARG 66 -0.672 -3.988 3.342 1.00133.40 C ATOM 233 O ARG 66 -0.441 -5.036 2.743 1.00133.40 O ATOM 234 N LEU 67 -0.318 -2.788 2.851 1.00 66.28 N ATOM 235 CA LEU 67 0.389 -2.783 1.610 1.00 66.28 C ATOM 236 CB LEU 67 -0.081 -1.696 0.630 1.00 66.28 C ATOM 237 CG LEU 67 -1.546 -1.829 0.181 1.00 66.28 C ATOM 238 CD1 LEU 67 -1.908 -0.733 -0.833 1.00 66.28 C ATOM 239 CD2 LEU 67 -1.854 -3.243 -0.331 1.00 66.28 C ATOM 240 C LEU 67 1.812 -2.470 1.915 1.00 66.28 C ATOM 241 O LEU 67 2.211 -1.307 1.932 1.00 66.28 O ATOM 242 N ALA 68 2.636 -3.502 2.158 1.00 65.37 N ATOM 243 CA ALA 68 4.012 -3.192 2.390 1.00 65.37 C ATOM 244 CB ALA 68 4.618 -3.918 3.602 1.00 65.37 C ATOM 245 C ALA 68 4.730 -3.657 1.175 1.00 65.37 C ATOM 246 O ALA 68 4.630 -4.818 0.783 1.00 65.37 O ATOM 247 N PRO 69 5.437 -2.752 0.563 1.00 97.36 N ATOM 248 CA PRO 69 6.163 -3.032 -0.643 1.00 97.36 C ATOM 249 CD PRO 69 5.292 -1.330 0.820 1.00 97.36 C ATOM 250 CB PRO 69 6.480 -1.668 -1.259 1.00 97.36 C ATOM 251 CG PRO 69 6.346 -0.677 -0.087 1.00 97.36 C ATOM 252 C PRO 69 7.393 -3.806 -0.310 1.00 97.36 C ATOM 253 O PRO 69 7.889 -3.669 0.806 1.00 97.36 O ATOM 254 N ILE 70 7.891 -4.640 -1.240 1.00 89.32 N ATOM 255 CA ILE 70 9.114 -5.331 -0.979 1.00 89.32 C ATOM 256 CB ILE 70 8.954 -6.823 -0.956 1.00 89.32 C ATOM 257 CG1 ILE 70 8.066 -7.234 0.236 1.00 89.32 C ATOM 258 CG2 ILE 70 10.356 -7.454 -0.919 1.00 89.32 C ATOM 259 CD1 ILE 70 6.617 -6.755 0.139 1.00 89.32 C ATOM 260 C ILE 70 10.048 -4.955 -2.077 1.00 89.32 C ATOM 261 O ILE 70 9.804 -5.250 -3.247 1.00 89.32 O ATOM 262 N ARG 71 11.146 -4.268 -1.713 1.00138.82 N ATOM 263 CA ARG 71 12.096 -3.821 -2.683 1.00138.82 C ATOM 264 CB ARG 71 13.012 -2.707 -2.149 1.00138.82 C ATOM 265 CG ARG 71 12.274 -1.491 -1.587 1.00138.82 C ATOM 266 CD ARG 71 13.154 -0.634 -0.671 1.00138.82 C ATOM 267 NE ARG 71 14.088 0.146 -1.529 1.00138.82 N ATOM 268 CZ ARG 71 13.757 1.414 -1.900 1.00138.82 C ATOM 269 NH1 ARG 71 12.621 1.989 -1.408 1.00138.82 N ATOM 270 NH2 ARG 71 14.567 2.113 -2.751 1.00138.82 N ATOM 271 C ARG 71 13.005 -4.964 -2.955 1.00138.82 C ATOM 272 O ARG 71 13.394 -5.693 -2.044 1.00138.82 O ATOM 273 N CYS 72 13.360 -5.153 -4.233 1.00 71.40 N ATOM 274 CA CYS 72 14.314 -6.157 -4.576 1.00 71.40 C ATOM 275 CB CYS 72 14.342 -6.457 -6.068 1.00 71.40 C ATOM 276 SG CYS 72 13.037 -7.582 -6.577 1.00 71.40 S ATOM 277 C CYS 72 15.661 -5.602 -4.281 1.00 71.40 C ATOM 278 O CYS 72 15.855 -4.388 -4.281 1.00 71.40 O ATOM 279 N ALA 73 16.633 -6.489 -4.003 1.00 27.12 N ATOM 280 CA ALA 73 17.968 -6.025 -3.785 1.00 27.12 C ATOM 281 CB ALA 73 18.875 -7.054 -3.086 1.00 27.12 C ATOM 282 C ALA 73 18.547 -5.745 -5.133 1.00 27.12 C ATOM 283 O ALA 73 18.200 -6.402 -6.114 1.00 27.12 O ATOM 284 N GLY 74 19.438 -4.741 -5.221 1.00 23.08 N ATOM 285 CA GLY 74 20.069 -4.446 -6.473 1.00 23.08 C ATOM 286 C GLY 74 19.101 -3.721 -7.354 1.00 23.08 C ATOM 287 O GLY 74 19.267 -3.685 -8.571 1.00 23.08 O ATOM 288 N GLY 75 18.043 -3.132 -6.770 1.00 26.77 N ATOM 289 CA GLY 75 17.131 -2.397 -7.598 1.00 26.77 C ATOM 290 C GLY 75 16.492 -3.357 -8.549 1.00 26.77 C ATOM 291 O GLY 75 16.242 -3.028 -9.708 1.00 26.77 O ATOM 292 N LEU 76 16.231 -4.588 -8.080 1.00 68.18 N ATOM 293 CA LEU 76 15.643 -5.589 -8.924 1.00 68.18 C ATOM 294 CB LEU 76 16.065 -7.004 -8.515 1.00 68.18 C ATOM 295 CG LEU 76 17.573 -7.257 -8.693 1.00 68.18 C ATOM 296 CD1 LEU 76 17.954 -8.681 -8.268 1.00 68.18 C ATOM 297 CD2 LEU 76 18.027 -6.932 -10.124 1.00 68.18 C ATOM 298 C LEU 76 14.144 -5.468 -8.897 1.00 68.18 C ATOM 299 O LEU 76 13.571 -4.760 -8.070 1.00 68.18 O ATOM 300 N ALA 77 13.458 -6.144 -9.842 1.00 56.77 N ATOM 301 CA ALA 77 12.024 -6.061 -9.892 1.00 56.77 C ATOM 302 CB ALA 77 11.481 -5.774 -11.304 1.00 56.77 C ATOM 303 C ALA 77 11.457 -7.371 -9.433 1.00 56.77 C ATOM 304 O ALA 77 12.041 -8.423 -9.667 1.00 56.77 O ATOM 305 N PHE 78 10.306 -7.359 -8.730 1.00180.53 N ATOM 306 CA PHE 78 9.742 -8.607 -8.296 1.00180.53 C ATOM 307 CB PHE 78 8.845 -8.512 -7.049 1.00180.53 C ATOM 308 CG PHE 78 9.756 -8.543 -5.873 1.00180.53 C ATOM 309 CD1 PHE 78 10.118 -9.758 -5.341 1.00180.53 C ATOM 310 CD2 PHE 78 10.254 -7.391 -5.311 1.00180.53 C ATOM 311 CE1 PHE 78 10.962 -9.829 -4.258 1.00180.53 C ATOM 312 CE2 PHE 78 11.099 -7.458 -4.228 1.00180.53 C ATOM 313 CZ PHE 78 11.454 -8.675 -3.699 1.00180.53 C ATOM 314 C PHE 78 8.951 -9.217 -9.405 1.00180.53 C ATOM 315 O PHE 78 8.179 -8.545 -10.090 1.00180.53 O ATOM 316 N ASP 79 9.117 -10.534 -9.611 1.00 78.81 N ATOM 317 CA ASP 79 8.381 -11.146 -10.670 1.00 78.81 C ATOM 318 CB ASP 79 9.086 -12.373 -11.271 1.00 78.81 C ATOM 319 CG ASP 79 8.512 -12.600 -12.660 1.00 78.81 C ATOM 320 OD1 ASP 79 7.866 -11.660 -13.196 1.00 78.81 O ATOM 321 OD2 ASP 79 8.723 -13.711 -13.209 1.00 78.81 O ATOM 322 C ASP 79 7.082 -11.558 -10.069 1.00 78.81 C ATOM 323 O ASP 79 7.025 -12.472 -9.252 1.00 78.81 O ATOM 324 N VAL 80 5.986 -10.895 -10.473 1.00120.36 N ATOM 325 CA VAL 80 4.712 -11.146 -9.862 1.00120.36 C ATOM 326 CB VAL 80 3.594 -10.317 -10.413 1.00120.36 C ATOM 327 CG1 VAL 80 3.458 -10.603 -11.917 1.00120.36 C ATOM 328 CG2 VAL 80 2.326 -10.684 -9.620 1.00120.36 C ATOM 329 C VAL 80 4.312 -12.572 -10.055 1.00120.36 C ATOM 330 O VAL 80 3.692 -13.175 -9.181 1.00120.36 O ATOM 331 N LEU 81 4.624 -13.153 -11.222 1.00 95.08 N ATOM 332 CA LEU 81 4.169 -14.493 -11.440 1.00 95.08 C ATOM 333 CB LEU 81 4.525 -14.997 -12.844 1.00 95.08 C ATOM 334 CG LEU 81 4.030 -16.422 -13.126 1.00 95.08 C ATOM 335 CD1 LEU 81 2.495 -16.478 -13.108 1.00 95.08 C ATOM 336 CD2 LEU 81 4.645 -16.977 -14.422 1.00 95.08 C ATOM 337 C LEU 81 4.810 -15.416 -10.440 1.00 95.08 C ATOM 338 O LEU 81 4.132 -16.220 -9.802 1.00 95.08 O ATOM 339 N ARG 82 6.145 -15.318 -10.298 1.00 98.48 N ATOM 340 CA ARG 82 6.938 -16.147 -9.428 1.00 98.48 C ATOM 341 CB ARG 82 8.432 -16.143 -9.795 1.00 98.48 C ATOM 342 CG ARG 82 8.708 -16.726 -11.186 1.00 98.48 C ATOM 343 CD ARG 82 10.190 -16.790 -11.579 1.00 98.48 C ATOM 344 NE ARG 82 10.262 -17.392 -12.944 1.00 98.48 N ATOM 345 CZ ARG 82 11.468 -17.599 -13.556 1.00 98.48 C ATOM 346 NH1 ARG 82 12.626 -17.261 -12.924 1.00 98.48 N ATOM 347 NH2 ARG 82 11.509 -18.146 -14.809 1.00 98.48 N ATOM 348 C ARG 82 6.788 -15.756 -7.986 1.00 98.48 C ATOM 349 O ARG 82 7.000 -16.570 -7.091 1.00 98.48 O ATOM 350 N GLN 83 6.434 -14.487 -7.722 1.00118.96 N ATOM 351 CA GLN 83 6.375 -13.948 -6.394 1.00118.96 C ATOM 352 CB GLN 83 5.591 -14.827 -5.415 1.00118.96 C ATOM 353 CG GLN 83 4.116 -14.988 -5.766 1.00118.96 C ATOM 354 CD GLN 83 3.522 -15.879 -4.690 1.00118.96 C ATOM 355 OE1 GLN 83 4.057 -15.975 -3.588 1.00118.96 O ATOM 356 NE2 GLN 83 2.385 -16.551 -5.014 1.00118.96 N ATOM 357 C GLN 83 7.774 -13.881 -5.885 1.00118.96 C ATOM 358 O GLN 83 8.009 -13.833 -4.679 1.00118.96 O ATOM 359 N LEU 84 8.747 -13.852 -6.814 1.00150.19 N ATOM 360 CA LEU 84 10.120 -13.778 -6.429 1.00150.19 C ATOM 361 CB LEU 84 10.992 -14.931 -6.978 1.00150.19 C ATOM 362 CG LEU 84 11.580 -14.740 -8.396 1.00150.19 C ATOM 363 CD1 LEU 84 12.257 -16.030 -8.889 1.00150.19 C ATOM 364 CD2 LEU 84 10.568 -14.159 -9.396 1.00150.19 C ATOM 365 C LEU 84 10.644 -12.492 -6.970 1.00150.19 C ATOM 366 O LEU 84 9.888 -11.606 -7.353 1.00150.19 O ATOM 367 N CYS 85 11.980 -12.348 -6.960 1.00114.62 N ATOM 368 CA CYS 85 12.562 -11.166 -7.493 1.00114.62 C ATOM 369 CB CYS 85 13.544 -10.523 -6.528 1.00114.62 C ATOM 370 SG CYS 85 14.213 -9.050 -7.295 1.00114.62 S ATOM 371 C CYS 85 13.328 -11.546 -8.724 1.00114.62 C ATOM 372 O CYS 85 13.744 -12.692 -8.877 1.00114.62 O ATOM 373 N ASP 86 13.496 -10.587 -9.657 1.00125.71 N ATOM 374 CA ASP 86 14.197 -10.812 -10.890 1.00125.71 C ATOM 375 CB ASP 86 13.296 -11.291 -12.051 1.00125.71 C ATOM 376 CG ASP 86 12.882 -12.748 -11.872 1.00125.71 C ATOM 377 OD1 ASP 86 13.700 -13.542 -11.341 1.00125.71 O ATOM 378 OD2 ASP 86 11.741 -13.089 -12.282 1.00125.71 O ATOM 379 C ASP 86 14.723 -9.494 -11.350 1.00125.71 C ATOM 380 O ASP 86 14.186 -8.439 -11.021 1.00125.71 O ATOM 381 N TRP 87 15.795 -9.523 -12.156 1.00 92.09 N ATOM 382 CA TRP 87 16.289 -8.300 -12.707 1.00 92.09 C ATOM 383 CB TRP 87 17.552 -8.497 -13.566 1.00 92.09 C ATOM 384 CG TRP 87 18.791 -8.839 -12.761 1.00 92.09 C ATOM 385 CD2 TRP 87 19.933 -7.975 -12.626 1.00 92.09 C ATOM 386 CD1 TRP 87 19.086 -9.972 -12.057 1.00 92.09 C ATOM 387 NE1 TRP 87 20.333 -9.861 -11.485 1.00 92.09 N ATOM 388 CE2 TRP 87 20.865 -8.637 -11.827 1.00 92.09 C ATOM 389 CE3 TRP 87 20.181 -6.728 -13.121 1.00 92.09 C ATOM 390 CZ2 TRP 87 22.062 -8.060 -11.508 1.00 92.09 C ATOM 391 CZ3 TRP 87 21.393 -6.155 -12.803 1.00 92.09 C ATOM 392 CH2 TRP 87 22.316 -6.805 -12.012 1.00 92.09 C ATOM 393 C TRP 87 15.172 -7.780 -13.559 1.00 92.09 C ATOM 394 O TRP 87 14.222 -8.497 -13.853 1.00 92.09 O ATOM 395 N LYS 88 15.230 -6.494 -13.951 1.00107.02 N ATOM 396 CA LYS 88 14.158 -5.934 -14.722 1.00107.02 C ATOM 397 CB LYS 88 14.417 -4.479 -15.150 1.00107.02 C ATOM 398 CG LYS 88 15.686 -4.299 -15.986 1.00107.02 C ATOM 399 CD LYS 88 15.764 -2.946 -16.699 1.00107.02 C ATOM 400 CE LYS 88 17.138 -2.648 -17.303 1.00107.02 C ATOM 401 NZ LYS 88 17.338 -3.429 -18.544 1.00107.02 N ATOM 402 C LYS 88 14.031 -6.754 -15.963 1.00107.02 C ATOM 403 O LYS 88 12.931 -6.992 -16.457 1.00107.02 O ATOM 404 N SER 89 15.171 -7.209 -16.500 1.00 82.08 N ATOM 405 CA SER 89 15.146 -7.995 -17.694 1.00 82.08 C ATOM 406 CB SER 89 16.558 -8.421 -18.121 1.00 82.08 C ATOM 407 OG SER 89 16.494 -9.198 -19.302 1.00 82.08 O ATOM 408 C SER 89 14.359 -9.250 -17.459 1.00 82.08 C ATOM 409 O SER 89 13.416 -9.543 -18.193 1.00 82.08 O ATOM 410 N ASN 90 14.730 -10.020 -16.415 1.00 47.30 N ATOM 411 CA ASN 90 14.121 -11.293 -16.135 1.00 47.30 C ATOM 412 CB ASN 90 14.804 -12.038 -14.972 1.00 47.30 C ATOM 413 CG ASN 90 16.225 -12.390 -15.390 1.00 47.30 C ATOM 414 OD1 ASN 90 16.463 -12.848 -16.506 1.00 47.30 O ATOM 415 ND2 ASN 90 17.201 -12.159 -14.472 1.00 47.30 N ATOM 416 C ASN 90 12.692 -11.110 -15.733 1.00 47.30 C ATOM 417 O ASN 90 11.807 -11.829 -16.196 1.00 47.30 O ATOM 418 N VAL 91 12.432 -10.110 -14.875 1.00137.69 N ATOM 419 CA VAL 91 11.117 -9.904 -14.350 1.00137.69 C ATOM 420 CB VAL 91 11.014 -8.709 -13.445 1.00137.69 C ATOM 421 CG1 VAL 91 11.397 -7.439 -14.223 1.00137.69 C ATOM 422 CG2 VAL 91 9.589 -8.668 -12.874 1.00137.69 C ATOM 423 C VAL 91 10.218 -9.700 -15.510 1.00137.69 C ATOM 424 O VAL 91 9.072 -10.144 -15.496 1.00137.69 O ATOM 425 N LYS 92 10.714 -8.954 -16.513 1.00223.28 N ATOM 426 CA LYS 92 10.039 -8.743 -17.759 1.00223.28 C ATOM 427 CB LYS 92 9.800 -10.032 -18.570 1.00223.28 C ATOM 428 CG LYS 92 11.058 -10.612 -19.224 1.00223.28 C ATOM 429 CD LYS 92 10.845 -11.980 -19.882 1.00223.28 C ATOM 430 CE LYS 92 10.839 -13.152 -18.898 1.00223.28 C ATOM 431 NZ LYS 92 12.219 -13.442 -18.448 1.00223.28 N ATOM 432 C LYS 92 8.710 -8.121 -17.516 1.00223.28 C ATOM 433 O LYS 92 7.906 -8.007 -18.438 1.00223.28 O ATOM 434 N SER 93 8.430 -7.673 -16.280 1.00247.88 N ATOM 435 CA SER 93 7.149 -7.063 -16.127 1.00247.88 C ATOM 436 CB SER 93 6.114 -7.964 -15.425 1.00247.88 C ATOM 437 OG SER 93 6.528 -8.279 -14.104 1.00247.88 O ATOM 438 C SER 93 7.320 -5.828 -15.316 1.00247.88 C ATOM 439 O SER 93 6.815 -5.719 -14.201 1.00247.88 O ATOM 440 N CYS 94 8.024 -4.840 -15.882 1.00 76.22 N ATOM 441 CA CYS 94 8.150 -3.587 -15.210 1.00 76.22 C ATOM 442 CB CYS 94 9.590 -3.048 -15.194 1.00 76.22 C ATOM 443 SG CYS 94 9.688 -1.297 -14.720 1.00 76.22 S ATOM 444 C CYS 94 7.326 -2.637 -16.008 1.00 76.22 C ATOM 445 O CYS 94 7.590 -2.428 -17.191 1.00 76.22 O ATOM 446 N ASP 95 6.291 -2.044 -15.388 1.00 67.99 N ATOM 447 CA ASP 95 5.488 -1.137 -16.146 1.00 67.99 C ATOM 448 CB ASP 95 4.234 -0.618 -15.418 1.00 67.99 C ATOM 449 CG ASP 95 3.423 0.187 -16.431 1.00 67.99 C ATOM 450 OD1 ASP 95 3.890 0.311 -17.595 1.00 67.99 O ATOM 451 OD2 ASP 95 2.328 0.684 -16.057 1.00 67.99 O ATOM 452 C ASP 95 6.371 0.067 -16.427 1.00 67.99 C ATOM 453 O ASP 95 6.714 0.789 -15.453 1.00 67.99 O ATOM 454 OXT ASP 95 6.720 0.281 -17.617 1.00 67.99 O