USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 764 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 99 CYS SG : rot 180:sc=-0.00839 USER MOD Set 2.1: A 41 MET CE :methyl 167:sc= -0.923 (180deg=-1.43!) USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= -0.0138 USER MOD Set 3.1: A 28 MET CE :methyl -121:sc= -28.4! (180deg=-29.3!) USER MOD Set 3.2: A 80 MET CE :methyl 144:sc= -13.9! (180deg=-16.2!) USER MOD Set 4.1: A 21 MET CE :methyl 173:sc= 0 (180deg=0) USER MOD Set 4.2: A 83 HIS : no HD1:sc= -54.5! C(o=-54!,f=-54!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -130:sc= -0.177 USER MOD Single : A 22 SER OG : rot -39:sc= 0.779 USER MOD Single : A 29 GLN : amide:sc= -0.165 X(o=-0.16,f=0) USER MOD Single : A 33 SER OG : rot -85:sc= 0.981 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -5.92! C(o=-5.9!,f=-9.5!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -43:sc= 0.0432 USER MOD Single : A 63 HIS : no HD1:sc= -23.9! C(o=-24!,f=-31!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 2:sc= -10.1! USER MOD Single : A 78 SER OG : rot -46:sc= 1.36 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= -0.365 (180deg=-0.365) USER MOD Single : A 88 HIS : no HE2:sc= -20.8! C(o=-21!,f=-32!) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -19:sc= 2.07 USER MOD Single : A 96 SER OG : rot 53:sc= 0.775 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 14 4.565 11.049 -5.302 1.00 0.00 N ATOM 28 CA PRO A 14 5.873 10.925 -4.696 1.00 0.00 C ATOM 29 C PRO A 14 6.372 9.495 -4.846 1.00 0.00 C ATOM 30 O PRO A 14 7.497 9.185 -4.463 1.00 0.00 O ATOM 31 CB PRO A 14 5.658 11.278 -3.225 1.00 0.00 C ATOM 32 CG PRO A 14 4.216 10.835 -2.979 1.00 0.00 C ATOM 33 CD PRO A 14 3.530 11.178 -4.299 1.00 0.00 C ATOM 0 HA PRO A 14 6.618 11.572 -5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.359 10.753 -2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.791 12.344 -3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.152 9.770 -2.754 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.767 11.366 -2.139 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.699 10.502 -4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.121 12.188 -4.281 1.00 0.00 H new ATOM 41 N LEU A 15 5.530 8.623 -5.406 1.00 0.00 N ATOM 42 CA LEU A 15 5.888 7.233 -5.603 1.00 0.00 C ATOM 43 C LEU A 15 5.588 6.820 -7.037 1.00 0.00 C ATOM 44 O LEU A 15 5.034 7.601 -7.807 1.00 0.00 O ATOM 45 CB LEU A 15 5.111 6.364 -4.617 1.00 0.00 C ATOM 46 CG LEU A 15 4.754 7.189 -3.384 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.719 6.438 -2.551 1.00 0.00 C ATOM 48 CD2 LEU A 15 6.009 7.423 -2.547 1.00 0.00 C ATOM 0 H LEU A 15 4.593 8.865 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 15 6.955 7.100 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.205 5.983 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.709 5.499 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 15 4.342 8.149 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.464 7.027 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.823 6.272 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.130 5.478 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.754 8.012 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.422 6.464 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.748 7.960 -3.142 1.00 0.00 H new ATOM 60 N THR A 16 5.956 5.588 -7.395 1.00 0.00 N ATOM 61 CA THR A 16 5.723 5.083 -8.733 1.00 0.00 C ATOM 62 C THR A 16 5.551 3.571 -8.694 1.00 0.00 C ATOM 63 O THR A 16 4.619 3.033 -9.288 1.00 0.00 O ATOM 64 CB THR A 16 6.892 5.470 -9.633 1.00 0.00 C ATOM 65 OG1 THR A 16 7.479 6.660 -9.155 1.00 0.00 O ATOM 66 CG2 THR A 16 6.388 5.689 -11.057 1.00 0.00 C ATOM 0 H THR A 16 6.417 4.927 -6.770 1.00 0.00 H new ATOM 0 HA THR A 16 4.810 5.521 -9.136 1.00 0.00 H new ATOM 0 HB THR A 16 7.633 4.671 -9.629 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.231 6.908 -9.732 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.223 5.966 -11.700 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.934 4.770 -11.427 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.647 6.488 -11.062 1.00 0.00 H new ATOM 74 N VAL A 17 6.455 2.885 -7.990 1.00 0.00 N ATOM 75 CA VAL A 17 6.400 1.442 -7.875 1.00 0.00 C ATOM 76 C VAL A 17 7.695 0.925 -7.265 1.00 0.00 C ATOM 77 O VAL A 17 7.690 -0.072 -6.545 1.00 0.00 O ATOM 78 CB VAL A 17 6.171 0.831 -9.255 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.248 -0.213 -9.535 1.00 0.00 C ATOM 80 CG2 VAL A 17 4.797 0.168 -9.295 1.00 0.00 C ATOM 0 H VAL A 17 7.234 3.316 -7.492 1.00 0.00 H new ATOM 0 HA VAL A 17 5.574 1.156 -7.224 1.00 0.00 H new ATOM 0 HB VAL A 17 6.219 1.614 -10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.084 -0.649 -10.520 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.230 0.260 -9.506 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.200 -0.997 -8.779 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.632 -0.269 -10.280 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.749 -0.615 -8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.027 0.914 -9.095 1.00 0.00 H new ATOM 90 N LYS A 18 8.807 1.605 -7.554 1.00 0.00 N ATOM 91 CA LYS A 18 10.100 1.210 -7.032 1.00 0.00 C ATOM 92 C LYS A 18 10.435 2.037 -5.798 1.00 0.00 C ATOM 93 O LYS A 18 11.440 1.789 -5.136 1.00 0.00 O ATOM 94 CB LYS A 18 11.162 1.397 -8.112 1.00 0.00 C ATOM 95 CG LYS A 18 10.943 0.374 -9.223 1.00 0.00 C ATOM 96 CD LYS A 18 12.210 -0.456 -9.408 1.00 0.00 C ATOM 97 CE LYS A 18 11.841 -1.832 -9.956 1.00 0.00 C ATOM 98 NZ LYS A 18 13.045 -2.630 -10.231 1.00 0.00 N ATOM 0 H LYS A 18 8.829 2.433 -8.149 1.00 0.00 H new ATOM 0 HA LYS A 18 10.073 0.159 -6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.109 2.407 -8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.157 1.277 -7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.104 -0.275 -8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.689 0.881 -10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.892 0.049 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.732 -0.560 -8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.209 -2.356 -9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.259 -1.719 -10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.767 -3.561 -10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.634 -2.139 -10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.586 -2.756 -9.352 1.00 0.00 H new ATOM 112 N SER A 19 9.588 3.022 -5.491 1.00 0.00 N ATOM 113 CA SER A 19 9.798 3.878 -4.340 1.00 0.00 C ATOM 114 C SER A 19 10.237 3.040 -3.147 1.00 0.00 C ATOM 115 O SER A 19 9.716 1.949 -2.927 1.00 0.00 O ATOM 116 CB SER A 19 8.509 4.632 -4.027 1.00 0.00 C ATOM 117 OG SER A 19 8.731 6.018 -4.166 1.00 0.00 O ATOM 0 H SER A 19 8.750 3.240 -6.030 1.00 0.00 H new ATOM 0 HA SER A 19 10.583 4.602 -4.558 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.714 4.311 -4.700 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.179 4.405 -3.013 1.00 0.00 H new ATOM 0 HG SER A 19 8.404 6.483 -3.368 1.00 0.00 H new ATOM 123 N ASP A 20 11.198 3.555 -2.376 1.00 0.00 N ATOM 124 CA ASP A 20 11.700 2.854 -1.212 1.00 0.00 C ATOM 125 C ASP A 20 10.549 2.179 -0.480 1.00 0.00 C ATOM 126 O ASP A 20 9.667 2.853 0.048 1.00 0.00 O ATOM 127 CB ASP A 20 12.419 3.840 -0.296 1.00 0.00 C ATOM 128 CG ASP A 20 13.927 3.646 -0.365 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.581 4.504 -0.998 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.398 2.645 0.216 1.00 0.00 O ATOM 0 H ASP A 20 11.640 4.459 -2.545 1.00 0.00 H new ATOM 0 HA ASP A 20 12.407 2.085 -1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.166 4.860 -0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.078 3.704 0.730 1.00 0.00 H new ATOM 136 N MET A 21 10.558 0.844 -0.450 1.00 0.00 N ATOM 137 CA MET A 21 9.514 0.090 0.215 1.00 0.00 C ATOM 138 C MET A 21 9.170 0.743 1.546 1.00 0.00 C ATOM 139 O MET A 21 8.018 0.721 1.972 1.00 0.00 O ATOM 140 CB MET A 21 9.981 -1.348 0.424 1.00 0.00 C ATOM 141 CG MET A 21 11.356 -1.345 1.086 1.00 0.00 C ATOM 142 SD MET A 21 12.089 -2.990 1.266 1.00 0.00 S ATOM 143 CE MET A 21 12.989 -3.079 -0.303 1.00 0.00 C ATOM 0 H MET A 21 11.282 0.270 -0.882 1.00 0.00 H new ATOM 0 HA MET A 21 8.617 0.082 -0.404 1.00 0.00 H new ATOM 0 HB2 MET A 21 9.267 -1.887 1.047 1.00 0.00 H new ATOM 0 HB3 MET A 21 10.027 -1.869 -0.532 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.029 -0.721 0.499 1.00 0.00 H new ATOM 0 HG3 MET A 21 11.273 -0.886 2.071 1.00 0.00 H new ATOM 0 HE1 MET A 21 13.607 -3.977 -0.318 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.278 -3.114 -1.129 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.625 -2.200 -0.408 1.00 0.00 H new ATOM 153 N SER A 22 10.176 1.327 2.203 1.00 0.00 N ATOM 154 CA SER A 22 9.975 1.983 3.479 1.00 0.00 C ATOM 155 C SER A 22 9.133 3.237 3.288 1.00 0.00 C ATOM 156 O SER A 22 8.261 3.532 4.102 1.00 0.00 O ATOM 157 CB SER A 22 11.329 2.330 4.090 1.00 0.00 C ATOM 158 OG SER A 22 12.218 1.251 3.904 1.00 0.00 O ATOM 0 H SER A 22 11.137 1.354 1.863 1.00 0.00 H new ATOM 0 HA SER A 22 9.445 1.313 4.157 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.730 3.230 3.625 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.217 2.544 5.153 1.00 0.00 H new ATOM 0 HG SER A 22 11.737 0.406 4.026 1.00 0.00 H new ATOM 164 N ALA A 23 9.395 3.975 2.207 1.00 0.00 N ATOM 165 CA ALA A 23 8.663 5.191 1.914 1.00 0.00 C ATOM 166 C ALA A 23 7.234 4.848 1.516 1.00 0.00 C ATOM 167 O ALA A 23 6.314 5.622 1.772 1.00 0.00 O ATOM 168 CB ALA A 23 9.369 5.952 0.796 1.00 0.00 C ATOM 0 H ALA A 23 10.114 3.743 1.522 1.00 0.00 H new ATOM 0 HA ALA A 23 8.630 5.824 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.819 6.867 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.382 6.204 1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.411 5.329 -0.098 1.00 0.00 H new ATOM 174 N ILE A 24 7.051 3.685 0.887 1.00 0.00 N ATOM 175 CA ILE A 24 5.738 3.245 0.457 1.00 0.00 C ATOM 176 C ILE A 24 4.877 2.932 1.672 1.00 0.00 C ATOM 177 O ILE A 24 3.792 3.488 1.825 1.00 0.00 O ATOM 178 CB ILE A 24 5.882 2.016 -0.436 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.427 2.437 -1.798 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.518 1.356 -0.616 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.525 3.513 -2.397 1.00 0.00 C ATOM 0 H ILE A 24 7.805 3.034 0.667 1.00 0.00 H new ATOM 0 HA ILE A 24 5.252 4.037 -0.113 1.00 0.00 H new ATOM 0 HB ILE A 24 6.570 1.309 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.443 2.816 -1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.475 1.576 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.620 0.478 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.128 1.055 0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.830 2.063 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.914 3.814 -3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.516 3.117 -2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.500 4.377 -1.733 1.00 0.00 H new ATOM 193 N VAL A 25 5.363 2.039 2.537 1.00 0.00 N ATOM 194 CA VAL A 25 4.638 1.658 3.732 1.00 0.00 C ATOM 195 C VAL A 25 4.370 2.888 4.587 1.00 0.00 C ATOM 196 O VAL A 25 3.264 3.067 5.091 1.00 0.00 O ATOM 197 CB VAL A 25 5.447 0.624 4.509 1.00 0.00 C ATOM 198 CG1 VAL A 25 4.746 0.316 5.829 1.00 0.00 C ATOM 199 CG2 VAL A 25 5.564 -0.655 3.685 1.00 0.00 C ATOM 0 H VAL A 25 6.261 1.569 2.423 1.00 0.00 H new ATOM 0 HA VAL A 25 3.680 1.217 3.456 1.00 0.00 H new ATOM 0 HB VAL A 25 6.443 1.019 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.324 -0.423 6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.663 1.229 6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.750 -0.079 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.142 -1.394 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.568 -1.050 3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.065 -0.436 2.742 1.00 0.00 H new ATOM 209 N ARG A 26 5.388 3.737 4.748 1.00 0.00 N ATOM 210 CA ARG A 26 5.259 4.944 5.540 1.00 0.00 C ATOM 211 C ARG A 26 4.081 5.767 5.038 1.00 0.00 C ATOM 212 O ARG A 26 3.264 6.232 5.829 1.00 0.00 O ATOM 213 CB ARG A 26 6.554 5.746 5.457 1.00 0.00 C ATOM 214 CG ARG A 26 7.298 5.651 6.786 1.00 0.00 C ATOM 215 CD ARG A 26 8.766 5.327 6.525 1.00 0.00 C ATOM 216 NE ARG A 26 9.614 6.493 6.775 1.00 0.00 N ATOM 217 CZ ARG A 26 9.642 7.131 7.953 1.00 0.00 C ATOM 218 NH1 ARG A 26 8.873 6.705 8.964 1.00 0.00 N ATOM 219 NH2 ARG A 26 10.439 8.195 8.120 1.00 0.00 N ATOM 0 H ARG A 26 6.311 3.602 4.335 1.00 0.00 H new ATOM 0 HA ARG A 26 5.075 4.682 6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.179 5.364 4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.335 6.788 5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.213 6.591 7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.850 4.879 7.412 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.079 4.502 7.165 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.891 4.996 5.494 1.00 0.00 H new ATOM 0 HE ARG A 26 10.209 6.835 6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.266 5.895 8.837 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.894 7.191 9.861 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.024 8.519 7.350 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.460 8.681 9.017 1.00 0.00 H new ATOM 233 N VAL A 27 3.996 5.945 3.717 1.00 0.00 N ATOM 234 CA VAL A 27 2.922 6.709 3.116 1.00 0.00 C ATOM 235 C VAL A 27 1.580 6.119 3.525 1.00 0.00 C ATOM 236 O VAL A 27 0.783 6.782 4.186 1.00 0.00 O ATOM 237 CB VAL A 27 3.078 6.699 1.599 1.00 0.00 C ATOM 238 CG1 VAL A 27 1.826 7.287 0.954 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.293 7.535 1.207 1.00 0.00 C ATOM 0 H VAL A 27 4.666 5.565 3.048 1.00 0.00 H new ATOM 0 HA VAL A 27 2.965 7.741 3.464 1.00 0.00 H new ATOM 0 HB VAL A 27 3.216 5.674 1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.938 7.280 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.958 6.690 1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.687 8.312 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.405 7.528 0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.156 8.560 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.187 7.115 1.667 1.00 0.00 H new ATOM 249 N MET A 28 1.329 4.869 3.130 1.00 0.00 N ATOM 250 CA MET A 28 0.086 4.200 3.457 1.00 0.00 C ATOM 251 C MET A 28 -0.302 4.502 4.897 1.00 0.00 C ATOM 252 O MET A 28 -1.471 4.742 5.191 1.00 0.00 O ATOM 253 CB MET A 28 0.246 2.698 3.244 1.00 0.00 C ATOM 254 CG MET A 28 0.832 2.439 1.859 1.00 0.00 C ATOM 255 SD MET A 28 0.110 1.012 1.011 1.00 0.00 S ATOM 256 CE MET A 28 0.982 -0.314 1.881 1.00 0.00 C ATOM 0 H MET A 28 1.978 4.305 2.582 1.00 0.00 H new ATOM 0 HA MET A 28 -0.708 4.564 2.805 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.898 2.279 4.010 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.720 2.202 3.341 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.688 3.326 1.243 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.907 2.287 1.953 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.547 -0.910 1.164 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.666 0.118 2.612 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.260 -0.950 2.392 1.00 0.00 H new ATOM 266 N GLN A 29 0.685 4.490 5.797 1.00 0.00 N ATOM 267 CA GLN A 29 0.443 4.761 7.199 1.00 0.00 C ATOM 268 C GLN A 29 -0.078 6.181 7.369 1.00 0.00 C ATOM 269 O GLN A 29 -1.052 6.406 8.084 1.00 0.00 O ATOM 270 CB GLN A 29 1.736 4.562 7.985 1.00 0.00 C ATOM 271 CG GLN A 29 1.744 3.171 8.611 1.00 0.00 C ATOM 272 CD GLN A 29 3.086 2.878 9.266 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.668 1.818 9.046 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.575 3.821 10.075 1.00 0.00 N ATOM 0 H GLN A 29 1.660 4.294 5.569 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.310 4.072 7.581 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.596 4.680 7.326 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.822 5.322 8.762 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.949 3.097 9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.537 2.422 7.846 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.053 4.685 10.225 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.470 3.678 10.543 1.00 0.00 H new ATOM 283 N LEU A 30 0.573 7.141 6.707 1.00 0.00 N ATOM 284 CA LEU A 30 0.173 8.531 6.787 1.00 0.00 C ATOM 285 C LEU A 30 -1.346 8.634 6.775 1.00 0.00 C ATOM 286 O LEU A 30 -2.009 7.963 5.987 1.00 0.00 O ATOM 287 CB LEU A 30 0.776 9.301 5.615 1.00 0.00 C ATOM 288 CG LEU A 30 2.298 9.287 5.727 1.00 0.00 C ATOM 289 CD1 LEU A 30 2.907 9.856 4.449 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.729 10.136 6.919 1.00 0.00 C ATOM 0 H LEU A 30 1.382 6.971 6.109 1.00 0.00 H new ATOM 0 HA LEU A 30 0.539 8.965 7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.466 8.851 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.410 10.328 5.614 1.00 0.00 H new ATOM 0 HG LEU A 30 2.642 8.263 5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.994 9.846 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.600 9.248 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.563 10.880 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.816 10.126 6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.385 11.161 6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.294 9.729 7.832 1.00 0.00 H new ATOM 302 N PRO A 31 -1.895 9.477 7.652 1.00 0.00 N ATOM 303 CA PRO A 31 -3.318 9.705 7.783 1.00 0.00 C ATOM 304 C PRO A 31 -3.818 10.508 6.590 1.00 0.00 C ATOM 305 O PRO A 31 -5.002 10.826 6.506 1.00 0.00 O ATOM 306 CB PRO A 31 -3.470 10.497 9.079 1.00 0.00 C ATOM 307 CG PRO A 31 -2.157 11.275 9.156 1.00 0.00 C ATOM 308 CD PRO A 31 -1.145 10.280 8.593 1.00 0.00 C ATOM 0 HA PRO A 31 -3.895 8.781 7.809 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.333 11.162 9.048 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.603 9.842 9.940 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.194 12.192 8.568 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.916 11.563 10.179 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.318 10.793 8.103 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.715 9.664 9.383 1.00 0.00 H new ATOM 316 N ASP A 32 -2.911 10.837 5.668 1.00 0.00 N ATOM 317 CA ASP A 32 -3.263 11.603 4.489 1.00 0.00 C ATOM 318 C ASP A 32 -2.711 10.918 3.247 1.00 0.00 C ATOM 319 O ASP A 32 -2.285 11.584 2.306 1.00 0.00 O ATOM 320 CB ASP A 32 -2.708 13.018 4.618 1.00 0.00 C ATOM 321 CG ASP A 32 -3.363 13.756 5.777 1.00 0.00 C ATOM 322 OD1 ASP A 32 -4.221 13.129 6.436 1.00 0.00 O ATOM 323 OD2 ASP A 32 -2.994 14.933 5.982 1.00 0.00 O ATOM 0 H ASP A 32 -1.925 10.580 5.723 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.348 11.660 4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.630 12.977 4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.878 13.565 3.691 1.00 0.00 H new ATOM 329 N SER A 33 -2.721 9.583 3.245 1.00 0.00 N ATOM 330 CA SER A 33 -2.223 8.818 2.119 1.00 0.00 C ATOM 331 C SER A 33 -3.389 8.328 1.271 1.00 0.00 C ATOM 332 O SER A 33 -3.437 8.586 0.071 1.00 0.00 O ATOM 333 CB SER A 33 -1.395 7.642 2.631 1.00 0.00 C ATOM 334 OG SER A 33 -2.049 7.051 3.731 1.00 0.00 O ATOM 0 H SER A 33 -3.071 9.016 4.017 1.00 0.00 H new ATOM 0 HA SER A 33 -1.588 9.450 1.497 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.258 6.907 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.402 7.983 2.925 1.00 0.00 H new ATOM 0 HG SER A 33 -1.816 7.536 4.550 1.00 0.00 H new ATOM 340 N GLY A 34 -4.331 7.621 1.899 1.00 0.00 N ATOM 341 CA GLY A 34 -5.488 7.103 1.197 1.00 0.00 C ATOM 342 C GLY A 34 -5.907 5.764 1.786 1.00 0.00 C ATOM 343 O GLY A 34 -7.096 5.496 1.943 1.00 0.00 O ATOM 0 H GLY A 34 -4.307 7.398 2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.312 7.813 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.257 6.986 0.138 1.00 0.00 H new ATOM 347 N LEU A 35 -4.924 4.920 2.112 1.00 0.00 N ATOM 348 CA LEU A 35 -5.194 3.615 2.681 1.00 0.00 C ATOM 349 C LEU A 35 -5.477 3.749 4.170 1.00 0.00 C ATOM 350 O LEU A 35 -6.490 3.253 4.659 1.00 0.00 O ATOM 351 CB LEU A 35 -3.998 2.698 2.439 1.00 0.00 C ATOM 352 CG LEU A 35 -4.196 1.392 3.202 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.643 0.930 3.055 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.262 0.326 2.637 1.00 0.00 C ATOM 0 H LEU A 35 -3.933 5.127 1.987 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.072 3.181 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.891 2.496 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.080 3.186 2.765 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.971 1.550 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.784 -0.003 3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.311 1.691 3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.869 0.772 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.403 -0.607 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.486 0.168 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.228 0.655 2.743 1.00 0.00 H new ATOM 366 N GLU A 36 -4.579 4.423 4.893 1.00 0.00 N ATOM 367 CA GLU A 36 -4.739 4.618 6.320 1.00 0.00 C ATOM 368 C GLU A 36 -4.707 3.274 7.034 1.00 0.00 C ATOM 369 O GLU A 36 -5.574 2.431 6.817 1.00 0.00 O ATOM 370 CB GLU A 36 -6.056 5.341 6.587 1.00 0.00 C ATOM 371 CG GLU A 36 -5.769 6.767 7.047 1.00 0.00 C ATOM 372 CD GLU A 36 -6.323 7.779 6.054 1.00 0.00 C ATOM 373 OE1 GLU A 36 -5.611 8.051 5.063 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.449 8.263 6.305 1.00 0.00 O ATOM 0 H GLU A 36 -3.734 4.841 4.504 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.919 5.227 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.665 5.355 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.627 4.810 7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.213 6.933 8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.694 6.909 7.156 1.00 0.00 H new ATOM 382 N ILE A 37 -3.702 3.078 7.891 1.00 0.00 N ATOM 383 CA ILE A 37 -3.560 1.842 8.636 1.00 0.00 C ATOM 384 C ILE A 37 -3.830 2.097 10.112 1.00 0.00 C ATOM 385 O ILE A 37 -2.978 2.633 10.817 1.00 0.00 O ATOM 386 CB ILE A 37 -2.155 1.284 8.431 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.671 1.625 7.024 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.179 -0.232 8.606 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.395 0.745 6.010 1.00 0.00 C ATOM 0 H ILE A 37 -2.975 3.768 8.081 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.283 1.110 8.276 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.480 1.725 9.164 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.859 2.677 6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.594 1.472 6.951 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.175 -0.631 8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.524 -0.477 9.611 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.855 -0.672 7.873 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.050 0.988 5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.185 -0.303 6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.469 0.920 6.077 1.00 0.00 H new ATOM 401 N ARG A 38 -5.020 1.711 10.578 1.00 0.00 N ATOM 402 CA ARG A 38 -5.396 1.900 11.965 1.00 0.00 C ATOM 403 C ARG A 38 -6.817 1.400 12.186 1.00 0.00 C ATOM 404 O ARG A 38 -7.129 0.864 13.247 1.00 0.00 O ATOM 405 CB ARG A 38 -5.282 3.378 12.325 1.00 0.00 C ATOM 406 CG ARG A 38 -4.056 3.593 13.208 1.00 0.00 C ATOM 407 CD ARG A 38 -3.234 4.758 12.664 1.00 0.00 C ATOM 408 NE ARG A 38 -2.183 5.144 13.606 1.00 0.00 N ATOM 409 CZ ARG A 38 -1.472 6.272 13.477 1.00 0.00 C ATOM 410 NH1 ARG A 38 -1.712 7.103 12.453 1.00 0.00 N ATOM 411 NH2 ARG A 38 -0.520 6.571 14.372 1.00 0.00 N ATOM 0 H ARG A 38 -5.737 1.265 10.006 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.726 1.330 12.609 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.201 3.979 11.419 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.181 3.707 12.846 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.365 3.799 14.233 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.450 2.687 13.234 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.787 4.478 11.710 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.886 5.610 12.473 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.983 4.528 14.394 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.436 6.877 11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.170 7.962 12.355 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.337 5.939 15.152 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.021 7.430 14.273 1.00 0.00 H new ATOM 425 N ASP A 39 -7.677 1.576 11.181 1.00 0.00 N ATOM 426 CA ASP A 39 -9.057 1.143 11.272 1.00 0.00 C ATOM 427 C ASP A 39 -9.558 0.727 9.896 1.00 0.00 C ATOM 428 O ASP A 39 -9.317 1.420 8.911 1.00 0.00 O ATOM 429 CB ASP A 39 -9.909 2.276 11.838 1.00 0.00 C ATOM 430 CG ASP A 39 -9.161 3.023 12.934 1.00 0.00 C ATOM 431 OD1 ASP A 39 -8.321 3.874 12.569 1.00 0.00 O ATOM 432 OD2 ASP A 39 -9.444 2.729 14.115 1.00 0.00 O ATOM 0 H ASP A 39 -7.433 2.018 10.295 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.130 0.284 11.939 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.178 2.968 11.040 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.839 1.872 12.237 1.00 0.00 H new ATOM 438 N ARG A 40 -10.257 -0.409 9.832 1.00 0.00 N ATOM 439 CA ARG A 40 -10.785 -0.911 8.579 1.00 0.00 C ATOM 440 C ARG A 40 -12.036 -1.738 8.842 1.00 0.00 C ATOM 441 O ARG A 40 -12.450 -1.893 9.989 1.00 0.00 O ATOM 442 CB ARG A 40 -9.720 -1.749 7.879 1.00 0.00 C ATOM 443 CG ARG A 40 -8.751 -0.829 7.142 1.00 0.00 C ATOM 444 CD ARG A 40 -8.632 -1.274 5.687 1.00 0.00 C ATOM 445 NE ARG A 40 -8.993 -0.190 4.775 1.00 0.00 N ATOM 446 CZ ARG A 40 -10.263 0.096 4.453 1.00 0.00 C ATOM 447 NH1 ARG A 40 -11.264 -0.625 4.975 1.00 0.00 N ATOM 448 NH2 ARG A 40 -10.530 1.102 3.609 1.00 0.00 N ATOM 0 H ARG A 40 -10.466 -0.994 10.641 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.054 -0.076 7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.181 -2.354 8.608 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.188 -2.439 7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.103 0.201 7.190 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.773 -0.854 7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.611 -1.599 5.485 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.280 -2.132 5.512 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.247 0.373 4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.060 -1.391 5.617 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.230 -0.408 4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.767 1.650 3.211 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.496 1.319 3.364 1.00 0.00 H new ATOM 462 N MET A 41 -12.637 -2.271 7.776 1.00 0.00 N ATOM 463 CA MET A 41 -13.835 -3.076 7.900 1.00 0.00 C ATOM 464 C MET A 41 -13.617 -4.434 7.248 1.00 0.00 C ATOM 465 O MET A 41 -12.916 -4.538 6.244 1.00 0.00 O ATOM 466 CB MET A 41 -15.007 -2.347 7.248 1.00 0.00 C ATOM 467 CG MET A 41 -15.259 -1.032 7.980 1.00 0.00 C ATOM 468 SD MET A 41 -16.981 -0.477 7.922 1.00 0.00 S ATOM 469 CE MET A 41 -17.767 -1.884 8.744 1.00 0.00 C ATOM 0 H MET A 41 -12.306 -2.154 6.818 1.00 0.00 H new ATOM 0 HA MET A 41 -14.062 -3.234 8.954 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.790 -2.155 6.197 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.900 -2.971 7.280 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.959 -1.144 9.022 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.624 -0.259 7.547 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.793 -1.625 9.007 1.00 0.00 H new ATOM 0 HE2 MET A 41 -17.771 -2.742 8.072 1.00 0.00 H new ATOM 0 HE3 MET A 41 -17.212 -2.133 9.648 1.00 0.00 H new ATOM 479 N TRP A 42 -14.220 -5.478 7.822 1.00 0.00 N ATOM 480 CA TRP A 42 -14.088 -6.819 7.291 1.00 0.00 C ATOM 481 C TRP A 42 -15.140 -7.728 7.910 1.00 0.00 C ATOM 482 O TRP A 42 -15.392 -7.662 9.111 1.00 0.00 O ATOM 483 CB TRP A 42 -12.684 -7.343 7.580 1.00 0.00 C ATOM 484 CG TRP A 42 -12.430 -8.746 7.130 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.979 -9.749 7.915 1.00 0.00 C ATOM 486 CD2 TRP A 42 -12.602 -9.327 5.801 1.00 0.00 C ATOM 487 NE1 TRP A 42 -11.861 -10.902 7.168 1.00 0.00 N ATOM 488 CE2 TRP A 42 -12.233 -10.698 5.855 1.00 0.00 C ATOM 489 CE3 TRP A 42 -13.032 -8.835 4.555 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -12.286 -11.536 4.738 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -13.090 -9.667 3.428 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.718 -11.014 3.515 1.00 0.00 C ATOM 0 H TRP A 42 -14.804 -5.411 8.656 1.00 0.00 H new ATOM 0 HA TRP A 42 -14.242 -6.802 6.212 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.960 -6.686 7.098 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.503 -7.283 8.653 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.747 -9.661 8.966 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -11.539 -11.795 7.540 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -13.322 -7.799 4.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.997 -12.574 4.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.425 -9.265 2.483 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.765 -11.647 2.641 1.00 0.00 H new ATOM 503 N LEU A 43 -15.756 -8.578 7.085 1.00 0.00 N ATOM 504 CA LEU A 43 -16.777 -9.494 7.553 1.00 0.00 C ATOM 505 C LEU A 43 -18.012 -8.716 7.984 1.00 0.00 C ATOM 506 O LEU A 43 -18.908 -9.270 8.616 1.00 0.00 O ATOM 507 CB LEU A 43 -16.226 -10.319 8.713 1.00 0.00 C ATOM 508 CG LEU A 43 -15.727 -11.663 8.189 1.00 0.00 C ATOM 509 CD1 LEU A 43 -14.203 -11.700 8.251 1.00 0.00 C ATOM 510 CD2 LEU A 43 -16.299 -12.787 9.048 1.00 0.00 C ATOM 0 H LEU A 43 -15.558 -8.644 6.087 1.00 0.00 H new ATOM 0 HA LEU A 43 -17.062 -10.169 6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.413 -9.782 9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -17.001 -10.474 9.463 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.051 -11.793 7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.847 -12.660 7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.794 -10.897 7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.878 -11.570 9.283 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.943 -13.747 8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.975 -12.657 10.081 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.388 -12.761 9.003 1.00 0.00 H new ATOM 522 N LYS A 44 -18.057 -7.427 7.640 1.00 0.00 N ATOM 523 CA LYS A 44 -19.180 -6.582 7.993 1.00 0.00 C ATOM 524 C LYS A 44 -18.989 -6.025 9.397 1.00 0.00 C ATOM 525 O LYS A 44 -19.939 -5.547 10.012 1.00 0.00 O ATOM 526 CB LYS A 44 -20.471 -7.390 7.903 1.00 0.00 C ATOM 527 CG LYS A 44 -21.655 -6.441 7.740 1.00 0.00 C ATOM 528 CD LYS A 44 -22.399 -6.772 6.449 1.00 0.00 C ATOM 529 CE LYS A 44 -23.887 -6.932 6.747 1.00 0.00 C ATOM 530 NZ LYS A 44 -24.514 -7.876 5.809 1.00 0.00 N ATOM 0 H LYS A 44 -17.322 -6.952 7.116 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.241 -5.744 7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.424 -8.078 7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.597 -7.995 8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -22.327 -6.532 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -21.307 -5.408 7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.247 -5.980 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.004 -7.690 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -24.021 -7.286 7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -24.382 -5.963 6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -25.526 -7.967 6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -24.405 -7.523 4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -24.055 -8.806 5.894 1.00 0.00 H new ATOM 544 N ILE A 45 -17.754 -6.088 9.902 1.00 0.00 N ATOM 545 CA ILE A 45 -17.442 -5.591 11.227 1.00 0.00 C ATOM 546 C ILE A 45 -16.420 -4.467 11.127 1.00 0.00 C ATOM 547 O ILE A 45 -15.944 -4.154 10.038 1.00 0.00 O ATOM 548 CB ILE A 45 -16.909 -6.734 12.085 1.00 0.00 C ATOM 549 CG1 ILE A 45 -17.483 -8.057 11.587 1.00 0.00 C ATOM 550 CG2 ILE A 45 -17.323 -6.515 13.538 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.960 -9.198 12.454 1.00 0.00 C ATOM 0 H ILE A 45 -16.956 -6.482 9.403 1.00 0.00 H new ATOM 0 HA ILE A 45 -18.343 -5.195 11.694 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.822 -6.762 12.016 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.572 -8.029 11.622 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -17.202 -8.219 10.546 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.942 -7.331 14.152 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.912 -5.571 13.895 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -18.410 -6.486 13.606 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -17.370 -10.143 12.098 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.872 -9.230 12.396 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -17.264 -9.037 13.489 1.00 0.00 H new ATOM 563 N THR A 46 -16.083 -3.860 12.267 1.00 0.00 N ATOM 564 CA THR A 46 -15.120 -2.778 12.298 1.00 0.00 C ATOM 565 C THR A 46 -13.939 -3.159 13.178 1.00 0.00 C ATOM 566 O THR A 46 -14.122 -3.678 14.277 1.00 0.00 O ATOM 567 CB THR A 46 -15.796 -1.512 12.817 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.601 -0.958 11.801 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.731 -0.500 13.231 1.00 0.00 C ATOM 0 H THR A 46 -16.469 -4.106 13.179 1.00 0.00 H new ATOM 0 HA THR A 46 -14.748 -2.590 11.291 1.00 0.00 H new ATOM 0 HB THR A 46 -16.417 -1.759 13.678 1.00 0.00 H new ATOM 0 HG1 THR A 46 -17.036 -0.146 12.135 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.213 0.405 13.602 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.109 -0.928 14.017 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.110 -0.253 12.370 1.00 0.00 H new ATOM 577 N ILE A 47 -12.723 -2.899 12.692 1.00 0.00 N ATOM 578 CA ILE A 47 -11.518 -3.212 13.433 1.00 0.00 C ATOM 579 C ILE A 47 -10.724 -1.938 13.688 1.00 0.00 C ATOM 580 O ILE A 47 -10.976 -0.913 13.059 1.00 0.00 O ATOM 581 CB ILE A 47 -10.686 -4.221 12.647 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.467 -5.523 12.502 1.00 0.00 C ATOM 583 CG2 ILE A 47 -9.380 -4.491 13.390 1.00 0.00 C ATOM 584 CD1 ILE A 47 -12.333 -5.460 11.247 1.00 0.00 C ATOM 0 H ILE A 47 -12.556 -2.470 11.782 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.781 -3.651 14.396 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.466 -3.818 11.658 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.780 -6.367 12.440 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.092 -5.684 13.380 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.785 -5.212 12.829 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.821 -3.561 13.493 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.600 -4.893 14.379 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.891 -6.390 11.143 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.030 -4.626 11.327 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.697 -5.319 10.373 1.00 0.00 H new ATOM 596 N ALA A 48 -9.764 -2.006 14.613 1.00 0.00 N ATOM 597 CA ALA A 48 -8.942 -0.860 14.946 1.00 0.00 C ATOM 598 C ALA A 48 -7.491 -1.144 14.581 1.00 0.00 C ATOM 599 O ALA A 48 -6.590 -0.912 15.384 1.00 0.00 O ATOM 600 CB ALA A 48 -9.075 -0.555 16.435 1.00 0.00 C ATOM 0 H ALA A 48 -9.543 -2.850 15.142 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.276 0.009 14.380 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.457 0.307 16.686 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.117 -0.336 16.670 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.747 -1.418 17.014 1.00 0.00 H new ATOM 606 N ASN A 49 -7.267 -1.647 13.365 1.00 0.00 N ATOM 607 CA ASN A 49 -5.930 -1.958 12.902 1.00 0.00 C ATOM 608 C ASN A 49 -5.981 -3.094 11.890 1.00 0.00 C ATOM 609 O ASN A 49 -5.987 -4.264 12.266 1.00 0.00 O ATOM 610 CB ASN A 49 -5.056 -2.337 14.095 1.00 0.00 C ATOM 611 CG ASN A 49 -5.822 -3.219 15.071 1.00 0.00 C ATOM 612 OD1 ASN A 49 -6.785 -3.880 14.688 1.00 0.00 O ATOM 613 ND2 ASN A 49 -5.390 -3.231 16.334 1.00 0.00 N ATOM 0 H ASN A 49 -8.003 -1.845 12.687 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.500 -1.084 12.413 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.166 -2.861 13.747 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.716 -1.435 14.603 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.864 -3.807 17.030 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.586 -2.665 16.603 1.00 0.00 H new ATOM 620 N ALA A 50 -6.019 -2.745 10.602 1.00 0.00 N ATOM 621 CA ALA A 50 -6.070 -3.734 9.544 1.00 0.00 C ATOM 622 C ALA A 50 -5.726 -3.081 8.212 1.00 0.00 C ATOM 623 O ALA A 50 -5.780 -1.860 8.085 1.00 0.00 O ATOM 624 CB ALA A 50 -7.463 -4.356 9.498 1.00 0.00 C ATOM 0 H ALA A 50 -6.015 -1.779 10.275 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.341 -4.521 9.739 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.503 -5.100 8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.680 -4.834 10.453 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.202 -3.579 9.305 1.00 0.00 H new ATOM 630 N VAL A 51 -5.372 -3.900 7.219 1.00 0.00 N ATOM 631 CA VAL A 51 -5.021 -3.400 5.905 1.00 0.00 C ATOM 632 C VAL A 51 -4.526 -4.546 5.034 1.00 0.00 C ATOM 633 O VAL A 51 -5.050 -4.771 3.945 1.00 0.00 O ATOM 634 CB VAL A 51 -3.950 -2.322 6.040 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.610 -0.946 6.040 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.191 -2.521 7.349 1.00 0.00 C ATOM 0 H VAL A 51 -5.323 -4.915 7.309 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.900 -2.962 5.431 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.256 -2.392 5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.845 -0.176 6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.153 -0.803 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.304 -0.875 6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.425 -1.751 7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.885 -2.450 8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.720 -3.504 7.350 1.00 0.00 H new ATOM 646 N ILE A 52 -3.513 -5.270 5.516 1.00 0.00 N ATOM 647 CA ILE A 52 -2.954 -6.388 4.784 1.00 0.00 C ATOM 648 C ILE A 52 -2.507 -5.927 3.403 1.00 0.00 C ATOM 649 O ILE A 52 -2.793 -4.802 3.000 1.00 0.00 O ATOM 650 CB ILE A 52 -3.997 -7.497 4.674 1.00 0.00 C ATOM 651 CG1 ILE A 52 -3.313 -8.854 4.808 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.691 -7.409 3.318 1.00 0.00 C ATOM 653 CD1 ILE A 52 -4.368 -9.957 4.813 1.00 0.00 C ATOM 0 H ILE A 52 -3.067 -5.093 6.416 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.085 -6.778 5.314 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.735 -7.382 5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.617 -9.005 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.729 -8.890 5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.436 -8.201 3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.180 -6.440 3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.953 -7.524 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.880 -10.927 4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.046 -9.808 5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.932 -9.925 3.881 1.00 0.00 H new ATOM 665 N GLY A 53 -1.804 -6.800 2.678 1.00 0.00 N ATOM 666 CA GLY A 53 -1.324 -6.474 1.349 1.00 0.00 C ATOM 667 C GLY A 53 -2.492 -6.118 0.440 1.00 0.00 C ATOM 668 O GLY A 53 -2.341 -5.327 -0.488 1.00 0.00 O ATOM 0 H GLY A 53 -1.558 -7.737 2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.627 -5.638 1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.776 -7.320 0.935 1.00 0.00 H new ATOM 672 N ALA A 54 -3.660 -6.706 0.709 1.00 0.00 N ATOM 673 CA ALA A 54 -4.846 -6.452 -0.084 1.00 0.00 C ATOM 674 C ALA A 54 -5.069 -4.951 -0.209 1.00 0.00 C ATOM 675 O ALA A 54 -5.088 -4.414 -1.314 1.00 0.00 O ATOM 676 CB ALA A 54 -6.048 -7.125 0.570 1.00 0.00 C ATOM 0 H ALA A 54 -3.801 -7.363 1.476 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.716 -6.865 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.941 -6.934 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.875 -8.199 0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.189 -6.723 1.573 1.00 0.00 H new ATOM 682 N ASP A 55 -5.240 -4.274 0.929 1.00 0.00 N ATOM 683 CA ASP A 55 -5.463 -2.843 0.941 1.00 0.00 C ATOM 684 C ASP A 55 -4.211 -2.123 0.459 1.00 0.00 C ATOM 685 O ASP A 55 -4.290 -1.240 -0.392 1.00 0.00 O ATOM 686 CB ASP A 55 -5.833 -2.398 2.353 1.00 0.00 C ATOM 687 CG ASP A 55 -6.945 -1.359 2.322 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.729 -1.338 3.295 1.00 0.00 O ATOM 689 OD2 ASP A 55 -6.991 -0.606 1.325 1.00 0.00 O ATOM 0 H ASP A 55 -5.227 -4.705 1.854 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.284 -2.593 0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.152 -3.260 2.938 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.956 -1.983 2.849 1.00 0.00 H new ATOM 695 N VAL A 56 -3.054 -2.503 1.006 1.00 0.00 N ATOM 696 CA VAL A 56 -1.794 -1.894 0.630 1.00 0.00 C ATOM 697 C VAL A 56 -1.680 -1.839 -0.886 1.00 0.00 C ATOM 698 O VAL A 56 -1.094 -0.909 -1.434 1.00 0.00 O ATOM 699 CB VAL A 56 -0.643 -2.696 1.231 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.679 -1.999 0.921 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.825 -2.792 2.743 1.00 0.00 C ATOM 0 H VAL A 56 -2.973 -3.234 1.713 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.749 -0.875 1.015 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.635 -3.698 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.501 -2.571 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.809 -1.930 -0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.672 -0.997 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.003 -3.365 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.833 -1.790 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.769 -3.290 2.965 1.00 0.00 H new ATOM 711 N VAL A 57 -2.244 -2.841 -1.565 1.00 0.00 N ATOM 712 CA VAL A 57 -2.204 -2.903 -3.012 1.00 0.00 C ATOM 713 C VAL A 57 -3.247 -1.961 -3.597 1.00 0.00 C ATOM 714 O VAL A 57 -2.902 -0.974 -4.242 1.00 0.00 O ATOM 715 CB VAL A 57 -2.455 -4.338 -3.467 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.562 -4.378 -4.988 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.299 -5.224 -3.014 1.00 0.00 C ATOM 0 H VAL A 57 -2.734 -3.620 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.222 -2.591 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.384 -4.701 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.741 -5.403 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.388 -3.745 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.633 -4.015 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.477 -6.249 -3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.369 -4.861 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.223 -5.196 -1.927 1.00 0.00 H new ATOM 727 N ASP A 58 -4.526 -2.269 -3.369 1.00 0.00 N ATOM 728 CA ASP A 58 -5.610 -1.450 -3.873 1.00 0.00 C ATOM 729 C ASP A 58 -5.253 0.022 -3.732 1.00 0.00 C ATOM 730 O ASP A 58 -5.696 0.849 -4.526 1.00 0.00 O ATOM 731 CB ASP A 58 -6.889 -1.772 -3.105 1.00 0.00 C ATOM 732 CG ASP A 58 -8.002 -0.801 -3.471 1.00 0.00 C ATOM 733 OD1 ASP A 58 -8.022 0.293 -2.866 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.813 -1.170 -4.348 1.00 0.00 O ATOM 0 H ASP A 58 -4.828 -3.084 -2.836 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.772 -1.664 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.204 -2.792 -3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.696 -1.723 -2.033 1.00 0.00 H new ATOM 740 N TRP A 59 -4.448 0.350 -2.719 1.00 0.00 N ATOM 741 CA TRP A 59 -4.038 1.720 -2.485 1.00 0.00 C ATOM 742 C TRP A 59 -2.950 2.111 -3.475 1.00 0.00 C ATOM 743 O TRP A 59 -3.167 2.960 -4.337 1.00 0.00 O ATOM 744 CB TRP A 59 -3.540 1.863 -1.050 1.00 0.00 C ATOM 745 CG TRP A 59 -3.147 3.250 -0.655 1.00 0.00 C ATOM 746 CD1 TRP A 59 -3.995 4.207 -0.217 1.00 0.00 C ATOM 747 CD2 TRP A 59 -1.821 3.862 -0.652 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.290 5.360 0.054 1.00 0.00 N ATOM 749 CE2 TRP A 59 -1.943 5.203 -0.197 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.529 3.421 -0.987 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -0.844 6.060 -0.081 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.580 4.272 -0.875 1.00 0.00 C ATOM 753 CH2 TRP A 59 0.427 5.589 -0.423 1.00 0.00 C ATOM 0 H TRP A 59 -4.071 -0.322 -2.051 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.888 2.387 -2.629 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.321 1.516 -0.374 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.682 1.205 -0.911 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.062 4.087 -0.098 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.712 6.223 0.398 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.388 2.409 -1.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.976 7.073 0.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.562 3.908 -1.140 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.287 6.237 -0.339 1.00 0.00 H new ATOM 764 N LEU A 60 -1.775 1.488 -3.350 1.00 0.00 N ATOM 765 CA LEU A 60 -0.660 1.773 -4.231 1.00 0.00 C ATOM 766 C LEU A 60 -1.174 2.088 -5.629 1.00 0.00 C ATOM 767 O LEU A 60 -0.619 2.939 -6.319 1.00 0.00 O ATOM 768 CB LEU A 60 0.283 0.574 -4.260 1.00 0.00 C ATOM 769 CG LEU A 60 1.108 0.545 -2.977 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.716 -0.843 -2.793 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.224 1.582 -3.066 1.00 0.00 C ATOM 0 H LEU A 60 -1.580 0.781 -2.641 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.113 2.641 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.288 -0.349 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.941 0.636 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 60 0.465 0.775 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.305 -0.863 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.919 -1.584 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.358 -1.074 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.814 1.562 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.867 1.353 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.790 2.573 -3.196 1.00 0.00 H new ATOM 783 N TYR A 61 -2.239 1.399 -6.045 1.00 0.00 N ATOM 784 CA TYR A 61 -2.819 1.608 -7.356 1.00 0.00 C ATOM 785 C TYR A 61 -3.727 2.829 -7.329 1.00 0.00 C ATOM 786 O TYR A 61 -3.568 3.741 -8.138 1.00 0.00 O ATOM 787 CB TYR A 61 -3.599 0.364 -7.770 1.00 0.00 C ATOM 788 CG TYR A 61 -4.307 0.510 -9.096 1.00 0.00 C ATOM 789 CD1 TYR A 61 -3.576 0.474 -10.289 1.00 0.00 C ATOM 790 CD2 TYR A 61 -5.696 0.682 -9.131 1.00 0.00 C ATOM 791 CE1 TYR A 61 -4.233 0.610 -11.517 1.00 0.00 C ATOM 792 CE2 TYR A 61 -6.354 0.818 -10.360 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.622 0.782 -11.553 1.00 0.00 C ATOM 794 OH TYR A 61 -6.263 0.915 -12.750 1.00 0.00 O ATOM 0 H TYR A 61 -2.712 0.691 -5.484 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.028 1.784 -8.085 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.915 -0.483 -7.824 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.333 0.132 -6.999 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.505 0.341 -10.262 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.260 0.710 -8.210 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.668 0.582 -12.437 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.425 0.951 -10.387 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.225 1.025 -12.596 1.00 0.00 H new ATOM 804 N THR A 62 -4.682 2.846 -6.397 1.00 0.00 N ATOM 805 CA THR A 62 -5.606 3.956 -6.273 1.00 0.00 C ATOM 806 C THR A 62 -4.863 5.201 -5.810 1.00 0.00 C ATOM 807 O THR A 62 -5.451 6.274 -5.702 1.00 0.00 O ATOM 808 CB THR A 62 -6.711 3.589 -5.287 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.831 4.416 -5.507 1.00 0.00 O ATOM 810 CG2 THR A 62 -6.206 3.785 -3.860 1.00 0.00 C ATOM 0 H THR A 62 -4.829 2.098 -5.719 1.00 0.00 H new ATOM 0 HA THR A 62 -6.056 4.167 -7.243 1.00 0.00 H new ATOM 0 HB THR A 62 -6.995 2.547 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.534 5.340 -5.640 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.995 3.523 -3.155 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.340 3.145 -3.689 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.921 4.827 -3.715 1.00 0.00 H new ATOM 818 N HIS A 63 -3.564 5.056 -5.538 1.00 0.00 N ATOM 819 CA HIS A 63 -2.751 6.169 -5.087 1.00 0.00 C ATOM 820 C HIS A 63 -1.865 6.658 -6.224 1.00 0.00 C ATOM 821 O HIS A 63 -2.115 7.715 -6.799 1.00 0.00 O ATOM 822 CB HIS A 63 -1.908 5.731 -3.894 1.00 0.00 C ATOM 823 CG HIS A 63 -1.794 6.798 -2.840 1.00 0.00 C ATOM 824 ND1 HIS A 63 -0.703 7.608 -2.619 1.00 0.00 N ATOM 825 CD2 HIS A 63 -2.757 7.138 -1.929 1.00 0.00 C ATOM 826 CE1 HIS A 63 -1.010 8.420 -1.592 1.00 0.00 C ATOM 827 NE2 HIS A 63 -2.250 8.173 -1.137 1.00 0.00 N ATOM 0 H HIS A 63 -3.059 4.174 -5.625 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.395 6.992 -4.778 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.347 4.836 -3.453 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.911 5.459 -4.239 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.734 6.687 -1.838 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.348 9.171 -1.187 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.726 8.645 -0.368 1.00 0.00 H new ATOM 835 N VAL A 64 -0.824 5.885 -6.546 1.00 0.00 N ATOM 836 CA VAL A 64 0.093 6.242 -7.609 1.00 0.00 C ATOM 837 C VAL A 64 0.066 5.173 -8.692 1.00 0.00 C ATOM 838 O VAL A 64 -0.790 4.291 -8.675 1.00 0.00 O ATOM 839 CB VAL A 64 1.499 6.396 -7.036 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.500 7.495 -5.978 1.00 0.00 C ATOM 841 CG2 VAL A 64 1.936 5.078 -6.402 1.00 0.00 C ATOM 0 H VAL A 64 -0.603 5.006 -6.078 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.209 7.190 -8.054 1.00 0.00 H new ATOM 0 HB VAL A 64 2.191 6.662 -7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.504 7.605 -5.569 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.187 8.436 -6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.809 7.230 -5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.940 5.187 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.245 4.812 -5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.936 4.293 -7.158 1.00 0.00 H new ATOM 851 N GLU A 65 1.006 5.254 -9.637 1.00 0.00 N ATOM 852 CA GLU A 65 1.082 4.293 -10.719 1.00 0.00 C ATOM 853 C GLU A 65 2.532 4.096 -11.138 1.00 0.00 C ATOM 854 O GLU A 65 3.410 4.848 -10.718 1.00 0.00 O ATOM 855 CB GLU A 65 0.243 4.785 -11.895 1.00 0.00 C ATOM 856 CG GLU A 65 0.725 6.169 -12.320 1.00 0.00 C ATOM 857 CD GLU A 65 0.651 6.329 -13.832 1.00 0.00 C ATOM 858 OE1 GLU A 65 -0.421 6.764 -14.305 1.00 0.00 O ATOM 859 OE2 GLU A 65 1.668 6.013 -14.486 1.00 0.00 O ATOM 0 H GLU A 65 1.722 5.980 -9.667 1.00 0.00 H new ATOM 0 HA GLU A 65 0.689 3.333 -10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.323 4.088 -12.729 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.809 4.825 -11.613 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.116 6.934 -11.839 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.751 6.320 -11.984 1.00 0.00 H new ATOM 867 N GLY A 66 2.784 3.081 -11.968 1.00 0.00 N ATOM 868 CA GLY A 66 4.125 2.795 -12.436 1.00 0.00 C ATOM 869 C GLY A 66 4.303 1.298 -12.646 1.00 0.00 C ATOM 870 O GLY A 66 5.227 0.870 -13.333 1.00 0.00 O ATOM 0 H GLY A 66 2.069 2.447 -12.325 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.312 3.325 -13.370 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.855 3.157 -11.712 1.00 0.00 H new ATOM 874 N PHE A 67 3.413 0.501 -12.050 1.00 0.00 N ATOM 875 CA PHE A 67 3.477 -0.942 -12.175 1.00 0.00 C ATOM 876 C PHE A 67 2.810 -1.378 -13.471 1.00 0.00 C ATOM 877 O PHE A 67 1.738 -0.885 -13.816 1.00 0.00 O ATOM 878 CB PHE A 67 2.795 -1.586 -10.971 1.00 0.00 C ATOM 879 CG PHE A 67 3.410 -1.196 -9.649 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.790 -1.331 -9.452 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.601 -0.701 -8.619 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.360 -0.972 -8.225 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.172 -0.341 -7.392 1.00 0.00 C ATOM 884 CZ PHE A 67 4.551 -0.477 -7.195 1.00 0.00 C ATOM 0 H PHE A 67 2.641 0.840 -11.476 1.00 0.00 H new ATOM 0 HA PHE A 67 4.518 -1.263 -12.201 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.741 -1.307 -10.969 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.838 -2.670 -11.076 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.414 -1.712 -10.247 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.537 -0.597 -8.771 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.424 -1.077 -8.073 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.548 0.042 -6.598 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.991 -0.200 -6.248 1.00 0.00 H new ATOM 894 N LYS A 68 3.447 -2.305 -14.191 1.00 0.00 N ATOM 895 CA LYS A 68 2.912 -2.800 -15.443 1.00 0.00 C ATOM 896 C LYS A 68 1.404 -2.971 -15.330 1.00 0.00 C ATOM 897 O LYS A 68 0.653 -2.425 -16.135 1.00 0.00 O ATOM 898 CB LYS A 68 3.581 -4.126 -15.792 1.00 0.00 C ATOM 899 CG LYS A 68 2.741 -4.862 -16.831 1.00 0.00 C ATOM 900 CD LYS A 68 2.109 -6.097 -16.194 1.00 0.00 C ATOM 901 CE LYS A 68 1.302 -6.855 -17.245 1.00 0.00 C ATOM 902 NZ LYS A 68 1.554 -8.302 -17.160 1.00 0.00 N ATOM 0 H LYS A 68 4.337 -2.724 -13.919 1.00 0.00 H new ATOM 0 HA LYS A 68 3.117 -2.083 -16.238 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.584 -3.948 -16.179 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.689 -4.738 -14.896 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.965 -4.203 -17.220 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.364 -5.154 -17.677 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.884 -6.742 -15.780 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.463 -5.803 -15.367 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.239 -6.658 -17.104 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.564 -6.494 -18.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.994 -8.795 -17.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.565 -8.488 -17.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.281 -8.647 -16.218 1.00 0.00 H new ATOM 916 N GLU A 69 0.961 -3.732 -14.326 1.00 0.00 N ATOM 917 CA GLU A 69 -0.453 -3.968 -14.116 1.00 0.00 C ATOM 918 C GLU A 69 -0.681 -4.555 -12.730 1.00 0.00 C ATOM 919 O GLU A 69 0.251 -4.659 -11.936 1.00 0.00 O ATOM 920 CB GLU A 69 -0.977 -4.911 -15.195 1.00 0.00 C ATOM 921 CG GLU A 69 -2.449 -4.611 -15.462 1.00 0.00 C ATOM 922 CD GLU A 69 -2.737 -4.596 -16.957 1.00 0.00 C ATOM 923 OE1 GLU A 69 -2.086 -3.786 -17.652 1.00 0.00 O ATOM 924 OE2 GLU A 69 -3.604 -5.393 -17.376 1.00 0.00 O ATOM 0 H GLU A 69 1.570 -4.192 -13.649 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.995 -3.024 -14.181 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.398 -4.790 -16.111 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.858 -5.947 -14.877 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.072 -5.362 -14.975 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.713 -3.647 -15.027 1.00 0.00 H new ATOM 932 N ARG A 70 -1.926 -4.941 -12.442 1.00 0.00 N ATOM 933 CA ARG A 70 -2.271 -5.514 -11.156 1.00 0.00 C ATOM 934 C ARG A 70 -1.175 -6.470 -10.707 1.00 0.00 C ATOM 935 O ARG A 70 -0.954 -6.646 -9.511 1.00 0.00 O ATOM 936 CB ARG A 70 -3.608 -6.241 -11.267 1.00 0.00 C ATOM 937 CG ARG A 70 -4.731 -5.311 -10.816 1.00 0.00 C ATOM 938 CD ARG A 70 -6.005 -5.638 -11.590 1.00 0.00 C ATOM 939 NE ARG A 70 -6.793 -4.431 -11.838 1.00 0.00 N ATOM 940 CZ ARG A 70 -7.441 -3.775 -10.866 1.00 0.00 C ATOM 941 NH1 ARG A 70 -7.382 -4.219 -9.604 1.00 0.00 N ATOM 942 NH2 ARG A 70 -8.149 -2.674 -11.157 1.00 0.00 N ATOM 0 H ARG A 70 -2.709 -4.863 -13.091 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.362 -4.722 -10.413 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.776 -6.560 -12.296 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.597 -7.141 -10.652 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.904 -5.425 -9.746 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.447 -4.272 -10.985 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.747 -6.110 -12.538 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.602 -6.357 -11.028 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.852 -4.073 -12.791 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.844 -5.057 -9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.875 -3.720 -8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.194 -2.336 -12.118 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.642 -2.175 -10.417 1.00 0.00 H new ATOM 956 N ARG A 71 -0.487 -7.087 -11.671 1.00 0.00 N ATOM 957 CA ARG A 71 0.581 -8.019 -11.371 1.00 0.00 C ATOM 958 C ARG A 71 1.718 -7.293 -10.666 1.00 0.00 C ATOM 959 O ARG A 71 1.904 -7.448 -9.461 1.00 0.00 O ATOM 960 CB ARG A 71 1.071 -8.663 -12.664 1.00 0.00 C ATOM 961 CG ARG A 71 1.033 -10.182 -12.522 1.00 0.00 C ATOM 962 CD ARG A 71 -0.394 -10.678 -12.736 1.00 0.00 C ATOM 963 NE ARG A 71 -0.408 -11.922 -13.507 1.00 0.00 N ATOM 964 CZ ARG A 71 -1.533 -12.459 -13.998 1.00 0.00 C ATOM 965 NH1 ARG A 71 -2.710 -11.853 -13.792 1.00 0.00 N ATOM 966 NH2 ARG A 71 -1.481 -13.602 -14.696 1.00 0.00 N ATOM 0 H ARG A 71 -0.658 -6.951 -12.667 1.00 0.00 H new ATOM 0 HA ARG A 71 0.210 -8.801 -10.708 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.445 -8.349 -13.499 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.086 -8.333 -12.885 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.702 -10.643 -13.249 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.386 -10.474 -11.533 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.875 -10.839 -11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.973 -9.916 -13.258 1.00 0.00 H new ATOM 0 HE ARG A 71 0.476 -12.401 -13.678 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.750 -10.983 -13.261 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.566 -12.262 -14.166 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.585 -14.063 -14.853 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.338 -14.011 -15.070 1.00 0.00 H new ATOM 980 N GLU A 72 2.480 -6.497 -11.421 1.00 0.00 N ATOM 981 CA GLU A 72 3.591 -5.753 -10.863 1.00 0.00 C ATOM 982 C GLU A 72 3.189 -5.144 -9.527 1.00 0.00 C ATOM 983 O GLU A 72 3.976 -5.139 -8.583 1.00 0.00 O ATOM 984 CB GLU A 72 4.017 -4.666 -11.846 1.00 0.00 C ATOM 985 CG GLU A 72 5.106 -5.210 -12.765 1.00 0.00 C ATOM 986 CD GLU A 72 5.960 -4.080 -13.324 1.00 0.00 C ATOM 987 OE1 GLU A 72 6.845 -4.393 -14.149 1.00 0.00 O ATOM 988 OE2 GLU A 72 5.711 -2.925 -12.916 1.00 0.00 O ATOM 0 H GLU A 72 2.340 -6.357 -12.422 1.00 0.00 H new ATOM 0 HA GLU A 72 4.433 -6.424 -10.693 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.161 -4.337 -12.434 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.385 -3.795 -11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.736 -5.909 -12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.651 -5.767 -13.584 1.00 0.00 H new ATOM 996 N ALA A 73 1.959 -4.632 -9.449 1.00 0.00 N ATOM 997 CA ALA A 73 1.460 -4.024 -8.232 1.00 0.00 C ATOM 998 C ALA A 73 1.548 -5.021 -7.085 1.00 0.00 C ATOM 999 O ALA A 73 2.131 -4.723 -6.045 1.00 0.00 O ATOM 1000 CB ALA A 73 0.019 -3.571 -8.445 1.00 0.00 C ATOM 0 H ALA A 73 1.294 -4.631 -10.222 1.00 0.00 H new ATOM 0 HA ALA A 73 2.067 -3.154 -7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.358 -3.113 -7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.018 -2.844 -9.256 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.599 -4.432 -8.701 1.00 0.00 H new ATOM 1006 N ARG A 74 0.966 -6.207 -7.276 1.00 0.00 N ATOM 1007 CA ARG A 74 0.980 -7.239 -6.259 1.00 0.00 C ATOM 1008 C ARG A 74 2.416 -7.647 -5.958 1.00 0.00 C ATOM 1009 O ARG A 74 2.712 -8.117 -4.862 1.00 0.00 O ATOM 1010 CB ARG A 74 0.168 -8.437 -6.741 1.00 0.00 C ATOM 1011 CG ARG A 74 -0.511 -9.104 -5.548 1.00 0.00 C ATOM 1012 CD ARG A 74 0.496 -9.985 -4.815 1.00 0.00 C ATOM 1013 NE ARG A 74 0.056 -11.380 -4.793 1.00 0.00 N ATOM 1014 CZ ARG A 74 0.347 -12.249 -5.770 1.00 0.00 C ATOM 1015 NH1 ARG A 74 1.071 -11.852 -6.826 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -0.087 -13.514 -5.693 1.00 0.00 N ATOM 0 H ARG A 74 0.479 -6.469 -8.133 1.00 0.00 H new ATOM 0 HA ARG A 74 0.532 -6.858 -5.342 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.580 -8.115 -7.466 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.818 -9.150 -7.249 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.907 -8.347 -4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.356 -9.704 -5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.468 -9.915 -5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.624 -9.625 -3.794 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.496 -11.705 -3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.400 -10.888 -6.885 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.293 -12.514 -7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.639 -13.816 -4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.135 -14.175 -6.437 1.00 0.00 H new ATOM 1030 N LYS A 75 3.307 -7.465 -6.935 1.00 0.00 N ATOM 1031 CA LYS A 75 4.704 -7.814 -6.768 1.00 0.00 C ATOM 1032 C LYS A 75 5.369 -6.842 -5.804 1.00 0.00 C ATOM 1033 O LYS A 75 6.201 -7.241 -4.992 1.00 0.00 O ATOM 1034 CB LYS A 75 5.399 -7.789 -8.126 1.00 0.00 C ATOM 1035 CG LYS A 75 5.622 -9.219 -8.609 1.00 0.00 C ATOM 1036 CD LYS A 75 6.012 -9.204 -10.085 1.00 0.00 C ATOM 1037 CE LYS A 75 6.617 -10.552 -10.465 1.00 0.00 C ATOM 1038 NZ LYS A 75 6.320 -10.887 -11.867 1.00 0.00 N ATOM 0 H LYS A 75 3.077 -7.076 -7.850 1.00 0.00 H new ATOM 0 HA LYS A 75 4.784 -8.818 -6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.793 -7.241 -8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.353 -7.267 -8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.406 -9.695 -8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.715 -9.807 -8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.137 -9.000 -10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.729 -8.405 -10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.696 -10.526 -10.314 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.223 -11.329 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.742 -11.808 -12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.290 -10.934 -12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.718 -10.156 -12.490 1.00 0.00 H new ATOM 1052 N TYR A 76 5.000 -5.562 -5.895 1.00 0.00 N ATOM 1053 CA TYR A 76 5.564 -4.543 -5.033 1.00 0.00 C ATOM 1054 C TYR A 76 5.075 -4.745 -3.606 1.00 0.00 C ATOM 1055 O TYR A 76 5.864 -4.693 -2.665 1.00 0.00 O ATOM 1056 CB TYR A 76 5.164 -3.164 -5.551 1.00 0.00 C ATOM 1057 CG TYR A 76 5.870 -2.028 -4.848 1.00 0.00 C ATOM 1058 CD1 TYR A 76 7.129 -1.605 -5.291 1.00 0.00 C ATOM 1059 CD2 TYR A 76 5.266 -1.399 -3.753 1.00 0.00 C ATOM 1060 CE1 TYR A 76 7.783 -0.552 -4.640 1.00 0.00 C ATOM 1061 CE2 TYR A 76 5.920 -0.347 -3.102 1.00 0.00 C ATOM 1062 CZ TYR A 76 7.178 0.077 -3.546 1.00 0.00 C ATOM 1063 OH TYR A 76 7.815 1.103 -2.911 1.00 0.00 O ATOM 0 H TYR A 76 4.311 -5.215 -6.562 1.00 0.00 H new ATOM 0 HA TYR A 76 6.651 -4.618 -5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.378 -3.109 -6.618 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.087 -3.039 -5.435 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.596 -2.091 -6.135 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.295 -1.726 -3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.754 -0.225 -4.982 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.454 0.138 -2.257 1.00 0.00 H new ATOM 0 HH TYR A 76 8.663 1.293 -3.365 1.00 0.00 H new ATOM 1073 N ALA A 77 3.770 -4.977 -3.447 1.00 0.00 N ATOM 1074 CA ALA A 77 3.184 -5.185 -2.138 1.00 0.00 C ATOM 1075 C ALA A 77 3.848 -6.375 -1.460 1.00 0.00 C ATOM 1076 O ALA A 77 4.302 -6.270 -0.322 1.00 0.00 O ATOM 1077 CB ALA A 77 1.683 -5.415 -2.285 1.00 0.00 C ATOM 0 H ALA A 77 3.103 -5.024 -4.218 1.00 0.00 H new ATOM 0 HA ALA A 77 3.344 -4.303 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.241 -5.572 -1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.226 -4.544 -2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.509 -6.294 -2.905 1.00 0.00 H new ATOM 1083 N SER A 78 3.904 -7.510 -2.161 1.00 0.00 N ATOM 1084 CA SER A 78 4.512 -8.710 -1.623 1.00 0.00 C ATOM 1085 C SER A 78 5.936 -8.413 -1.177 1.00 0.00 C ATOM 1086 O SER A 78 6.332 -8.777 -0.071 1.00 0.00 O ATOM 1087 CB SER A 78 4.495 -9.807 -2.684 1.00 0.00 C ATOM 1088 OG SER A 78 3.183 -10.304 -2.825 1.00 0.00 O ATOM 0 H SER A 78 3.532 -7.614 -3.105 1.00 0.00 H new ATOM 0 HA SER A 78 3.946 -9.051 -0.756 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.850 -9.413 -3.636 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.172 -10.613 -2.400 1.00 0.00 H new ATOM 0 HG SER A 78 2.800 -10.472 -1.939 1.00 0.00 H new ATOM 1094 N SER A 79 6.707 -7.748 -2.040 1.00 0.00 N ATOM 1095 CA SER A 79 8.080 -7.404 -1.730 1.00 0.00 C ATOM 1096 C SER A 79 8.116 -6.404 -0.583 1.00 0.00 C ATOM 1097 O SER A 79 9.110 -6.312 0.133 1.00 0.00 O ATOM 1098 CB SER A 79 8.752 -6.827 -2.972 1.00 0.00 C ATOM 1099 OG SER A 79 9.844 -6.023 -2.585 1.00 0.00 O ATOM 0 H SER A 79 6.394 -7.440 -2.961 1.00 0.00 H new ATOM 0 HA SER A 79 8.622 -8.298 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.092 -7.633 -3.622 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.037 -6.236 -3.544 1.00 0.00 H new ATOM 0 HG SER A 79 10.277 -5.653 -3.383 1.00 0.00 H new ATOM 1105 N MET A 80 7.026 -5.652 -0.410 1.00 0.00 N ATOM 1106 CA MET A 80 6.941 -4.664 0.647 1.00 0.00 C ATOM 1107 C MET A 80 6.808 -5.358 1.995 1.00 0.00 C ATOM 1108 O MET A 80 7.389 -4.916 2.984 1.00 0.00 O ATOM 1109 CB MET A 80 5.747 -3.749 0.391 1.00 0.00 C ATOM 1110 CG MET A 80 6.160 -2.298 0.621 1.00 0.00 C ATOM 1111 SD MET A 80 4.767 -1.160 0.819 1.00 0.00 S ATOM 1112 CE MET A 80 3.894 -2.002 2.163 1.00 0.00 C ATOM 0 H MET A 80 6.193 -5.715 -0.995 1.00 0.00 H new ATOM 0 HA MET A 80 7.849 -4.062 0.660 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.388 -3.879 -0.630 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.924 -4.014 1.054 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.788 -2.246 1.511 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.770 -1.967 -0.219 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.452 -1.262 2.830 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.107 -2.632 1.748 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.596 -2.620 2.722 1.00 0.00 H new ATOM 1122 N LEU A 81 6.041 -6.450 2.033 1.00 0.00 N ATOM 1123 CA LEU A 81 5.836 -7.199 3.256 1.00 0.00 C ATOM 1124 C LEU A 81 7.092 -7.990 3.594 1.00 0.00 C ATOM 1125 O LEU A 81 7.624 -7.873 4.696 1.00 0.00 O ATOM 1126 CB LEU A 81 4.640 -8.131 3.087 1.00 0.00 C ATOM 1127 CG LEU A 81 4.712 -9.246 4.127 1.00 0.00 C ATOM 1128 CD1 LEU A 81 5.553 -10.396 3.582 1.00 0.00 C ATOM 1129 CD2 LEU A 81 5.351 -8.708 5.404 1.00 0.00 C ATOM 0 H LEU A 81 5.553 -6.830 1.222 1.00 0.00 H new ATOM 0 HA LEU A 81 5.631 -6.512 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.711 -7.572 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.635 -8.555 2.083 1.00 0.00 H new ATOM 0 HG LEU A 81 3.706 -9.605 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.605 -11.193 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.097 -10.780 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.559 -10.039 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.403 -9.503 6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.357 -8.350 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.750 -7.886 5.793 1.00 0.00 H new ATOM 1141 N LYS A 82 7.565 -8.797 2.642 1.00 0.00 N ATOM 1142 CA LYS A 82 8.754 -9.601 2.845 1.00 0.00 C ATOM 1143 C LYS A 82 9.850 -8.755 3.477 1.00 0.00 C ATOM 1144 O LYS A 82 10.625 -9.248 4.293 1.00 0.00 O ATOM 1145 CB LYS A 82 9.215 -10.171 1.507 1.00 0.00 C ATOM 1146 CG LYS A 82 8.902 -11.664 1.455 1.00 0.00 C ATOM 1147 CD LYS A 82 7.394 -11.872 1.554 1.00 0.00 C ATOM 1148 CE LYS A 82 7.097 -12.964 2.577 1.00 0.00 C ATOM 1149 NZ LYS A 82 7.661 -14.254 2.150 1.00 0.00 N ATOM 0 H LYS A 82 7.136 -8.905 1.723 1.00 0.00 H new ATOM 0 HA LYS A 82 8.528 -10.427 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.714 -9.655 0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.285 -10.008 1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.279 -12.093 0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.405 -12.181 2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.906 -10.942 1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.990 -12.151 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.513 -12.684 3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.019 -13.060 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.445 -14.980 2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.245 -14.530 1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.692 -14.165 2.047 1.00 0.00 H new ATOM 1163 N HIS A 83 9.913 -7.476 3.099 1.00 0.00 N ATOM 1164 CA HIS A 83 10.914 -6.573 3.630 1.00 0.00 C ATOM 1165 C HIS A 83 10.824 -6.531 5.149 1.00 0.00 C ATOM 1166 O HIS A 83 11.825 -6.311 5.827 1.00 0.00 O ATOM 1167 CB HIS A 83 10.708 -5.181 3.038 1.00 0.00 C ATOM 1168 CG HIS A 83 11.917 -4.681 2.296 1.00 0.00 C ATOM 1169 ND1 HIS A 83 12.014 -4.495 0.935 1.00 0.00 N ATOM 1170 CD2 HIS A 83 13.117 -4.330 2.852 1.00 0.00 C ATOM 1171 CE1 HIS A 83 13.254 -4.040 0.682 1.00 0.00 C ATOM 1172 NE2 HIS A 83 13.964 -3.922 1.817 1.00 0.00 N ATOM 0 H HIS A 83 9.277 -7.050 2.425 1.00 0.00 H new ATOM 0 HA HIS A 83 11.908 -6.928 3.356 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.854 -5.201 2.361 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.464 -4.483 3.838 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.366 -4.362 3.903 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.629 -3.801 -0.302 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.928 -3.599 1.906 1.00 0.00 H new ATOM 1180 N GLY A 84 9.619 -6.744 5.683 1.00 0.00 N ATOM 1181 CA GLY A 84 9.409 -6.728 7.117 1.00 0.00 C ATOM 1182 C GLY A 84 8.599 -5.503 7.518 1.00 0.00 C ATOM 1183 O GLY A 84 8.733 -5.006 8.634 1.00 0.00 O ATOM 0 H GLY A 84 8.778 -6.929 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.888 -7.634 7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.370 -6.722 7.632 1.00 0.00 H new ATOM 1187 N PHE A 85 7.756 -5.017 6.604 1.00 0.00 N ATOM 1188 CA PHE A 85 6.932 -3.855 6.868 1.00 0.00 C ATOM 1189 C PHE A 85 5.489 -4.286 7.095 1.00 0.00 C ATOM 1190 O PHE A 85 4.602 -3.446 7.226 1.00 0.00 O ATOM 1191 CB PHE A 85 7.029 -2.886 5.693 1.00 0.00 C ATOM 1192 CG PHE A 85 8.340 -2.139 5.635 1.00 0.00 C ATOM 1193 CD1 PHE A 85 9.542 -2.845 5.508 1.00 0.00 C ATOM 1194 CD2 PHE A 85 8.353 -0.742 5.710 1.00 0.00 C ATOM 1195 CE1 PHE A 85 10.758 -2.153 5.456 1.00 0.00 C ATOM 1196 CE2 PHE A 85 9.569 -0.050 5.658 1.00 0.00 C ATOM 1197 CZ PHE A 85 10.771 -0.755 5.531 1.00 0.00 C ATOM 0 H PHE A 85 7.632 -5.418 5.674 1.00 0.00 H new ATOM 0 HA PHE A 85 7.285 -3.351 7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.894 -3.439 4.764 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.213 -2.167 5.757 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.531 -3.923 5.450 1.00 0.00 H new ATOM 0 HD2 PHE A 85 7.425 -0.198 5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 85 11.686 -2.697 5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 85 9.579 1.028 5.716 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.709 -0.221 5.491 1.00 0.00 H new ATOM 1207 N LEU A 86 5.257 -5.600 7.142 1.00 0.00 N ATOM 1208 CA LEU A 86 3.927 -6.135 7.352 1.00 0.00 C ATOM 1209 C LEU A 86 3.993 -7.325 8.300 1.00 0.00 C ATOM 1210 O LEU A 86 4.970 -8.070 8.297 1.00 0.00 O ATOM 1211 CB LEU A 86 3.326 -6.546 6.011 1.00 0.00 C ATOM 1212 CG LEU A 86 2.383 -5.452 5.520 1.00 0.00 C ATOM 1213 CD1 LEU A 86 2.013 -5.714 4.063 1.00 0.00 C ATOM 1214 CD2 LEU A 86 1.118 -5.449 6.374 1.00 0.00 C ATOM 0 H LEU A 86 5.983 -6.309 7.036 1.00 0.00 H new ATOM 0 HA LEU A 86 3.292 -5.372 7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.118 -6.713 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.786 -7.487 6.116 1.00 0.00 H new ATOM 0 HG LEU A 86 2.878 -4.484 5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.339 -4.932 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.916 -5.715 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.519 -6.682 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.444 -4.667 6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.623 -6.417 6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.382 -5.260 7.415 1.00 0.00 H new ATOM 1226 N ARG A 87 2.948 -7.501 9.112 1.00 0.00 N ATOM 1227 CA ARG A 87 2.892 -8.595 10.060 1.00 0.00 C ATOM 1228 C ARG A 87 1.680 -9.469 9.767 1.00 0.00 C ATOM 1229 O ARG A 87 0.571 -8.963 9.608 1.00 0.00 O ATOM 1230 CB ARG A 87 2.824 -8.036 11.478 1.00 0.00 C ATOM 1231 CG ARG A 87 3.976 -7.058 11.694 1.00 0.00 C ATOM 1232 CD ARG A 87 5.057 -7.725 12.540 1.00 0.00 C ATOM 1233 NE ARG A 87 4.696 -7.714 13.958 1.00 0.00 N ATOM 1234 CZ ARG A 87 5.386 -8.390 14.887 1.00 0.00 C ATOM 1235 NH1 ARG A 87 6.456 -9.113 14.533 1.00 0.00 N ATOM 1236 NH2 ARG A 87 5.004 -8.342 16.171 1.00 0.00 N ATOM 0 H ARG A 87 2.130 -6.892 9.125 1.00 0.00 H new ATOM 0 HA ARG A 87 3.789 -9.207 9.968 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.870 -7.532 11.637 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.881 -8.847 12.204 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.390 -6.749 10.734 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.615 -6.157 12.190 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.202 -8.752 12.206 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.005 -7.207 12.399 1.00 0.00 H new ATOM 0 HE ARG A 87 3.885 -7.169 14.252 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.746 -9.149 13.556 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.981 -9.627 15.240 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.189 -7.791 16.440 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.529 -8.856 16.879 1.00 0.00 H new ATOM 1250 N HIS A 88 1.893 -10.785 9.696 1.00 0.00 N ATOM 1251 CA HIS A 88 0.817 -11.717 9.422 1.00 0.00 C ATOM 1252 C HIS A 88 0.428 -12.452 10.696 1.00 0.00 C ATOM 1253 O HIS A 88 0.368 -11.853 11.768 1.00 0.00 O ATOM 1254 CB HIS A 88 1.261 -12.702 8.344 1.00 0.00 C ATOM 1255 CG HIS A 88 2.115 -12.058 7.286 1.00 0.00 C ATOM 1256 ND1 HIS A 88 2.042 -12.290 5.931 1.00 0.00 N ATOM 1257 CD2 HIS A 88 3.104 -11.136 7.498 1.00 0.00 C ATOM 1258 CE1 HIS A 88 2.973 -11.519 5.342 1.00 0.00 C ATOM 1259 NE2 HIS A 88 3.646 -10.797 6.254 1.00 0.00 N ATOM 0 H HIS A 88 2.806 -11.222 9.826 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.056 -11.172 9.063 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.817 -13.516 8.808 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.381 -13.143 7.876 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.400 -12.929 5.461 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.411 -10.741 8.455 1.00 0.00 H new ATOM 0 HE1 HIS A 88 3.156 -11.485 4.278 1.00 0.00 H new ATOM 1267 N THR A 89 0.164 -13.755 10.579 1.00 0.00 N ATOM 1268 CA THR A 89 -0.216 -14.561 11.722 1.00 0.00 C ATOM 1269 C THR A 89 0.686 -15.782 11.819 1.00 0.00 C ATOM 1270 O THR A 89 0.520 -16.612 12.711 1.00 0.00 O ATOM 1271 CB THR A 89 -1.678 -14.978 11.586 1.00 0.00 C ATOM 1272 OG1 THR A 89 -1.817 -15.848 10.485 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.543 -13.740 11.369 1.00 0.00 C ATOM 0 H THR A 89 0.209 -14.268 9.698 1.00 0.00 H new ATOM 0 HA THR A 89 -0.101 -13.978 12.636 1.00 0.00 H new ATOM 0 HB THR A 89 -1.997 -15.488 12.495 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.755 -16.118 10.398 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.587 -14.038 11.272 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.435 -13.067 12.220 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.226 -13.229 10.460 1.00 0.00 H new ATOM 1281 N VAL A 90 1.645 -15.891 10.896 1.00 0.00 N ATOM 1282 CA VAL A 90 2.568 -17.008 10.880 1.00 0.00 C ATOM 1283 C VAL A 90 3.860 -16.618 11.584 1.00 0.00 C ATOM 1284 O VAL A 90 4.069 -15.448 11.899 1.00 0.00 O ATOM 1285 CB VAL A 90 2.842 -17.420 9.437 1.00 0.00 C ATOM 1286 CG1 VAL A 90 1.530 -17.805 8.760 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.479 -16.254 8.687 1.00 0.00 C ATOM 0 H VAL A 90 1.796 -15.211 10.151 1.00 0.00 H new ATOM 0 HA VAL A 90 2.130 -17.855 11.408 1.00 0.00 H new ATOM 0 HB VAL A 90 3.521 -18.273 9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.725 -18.099 7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.075 -18.638 9.295 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.851 -16.953 8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.675 -16.548 7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.801 -15.400 8.698 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.417 -15.979 9.170 1.00 0.00 H new ATOM 1297 N ASN A 91 4.729 -17.601 11.831 1.00 0.00 N ATOM 1298 CA ASN A 91 5.993 -17.354 12.495 1.00 0.00 C ATOM 1299 C ASN A 91 6.774 -16.287 11.741 1.00 0.00 C ATOM 1300 O ASN A 91 7.193 -15.290 12.327 1.00 0.00 O ATOM 1301 CB ASN A 91 6.789 -18.654 12.571 1.00 0.00 C ATOM 1302 CG ASN A 91 8.084 -18.453 13.344 1.00 0.00 C ATOM 1303 OD1 ASN A 91 8.077 -17.888 14.435 1.00 0.00 O ATOM 1304 ND2 ASN A 91 9.199 -18.920 12.776 1.00 0.00 N ATOM 0 H ASN A 91 4.571 -18.576 11.577 1.00 0.00 H new ATOM 0 HA ASN A 91 5.811 -16.994 13.508 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.189 -19.425 13.054 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.013 -19.008 11.564 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.096 -18.814 13.250 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.154 -19.382 11.868 1.00 0.00 H new ATOM 1311 N LYS A 92 6.971 -16.498 10.438 1.00 0.00 N ATOM 1312 CA LYS A 92 7.699 -15.555 9.613 1.00 0.00 C ATOM 1313 C LYS A 92 6.755 -14.476 9.102 1.00 0.00 C ATOM 1314 O LYS A 92 6.242 -13.676 9.882 1.00 0.00 O ATOM 1315 CB LYS A 92 8.352 -16.296 8.450 1.00 0.00 C ATOM 1316 CG LYS A 92 9.296 -17.365 8.994 1.00 0.00 C ATOM 1317 CD LYS A 92 10.675 -17.196 8.362 1.00 0.00 C ATOM 1318 CE LYS A 92 11.612 -16.519 9.359 1.00 0.00 C ATOM 1319 NZ LYS A 92 11.845 -15.113 8.993 1.00 0.00 N ATOM 0 H LYS A 92 6.632 -17.320 9.938 1.00 0.00 H new ATOM 0 HA LYS A 92 8.478 -15.076 10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.588 -16.755 7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.902 -15.596 7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.369 -17.283 10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.903 -18.358 8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.075 -18.167 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.600 -16.598 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.183 -16.572 10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.562 -17.052 9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.485 -14.675 9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.275 -15.067 8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.940 -14.601 8.986 1.00 0.00 H new ATOM 1333 N ILE A 93 6.526 -14.456 7.787 1.00 0.00 N ATOM 1334 CA ILE A 93 5.645 -13.479 7.177 1.00 0.00 C ATOM 1335 C ILE A 93 4.809 -14.146 6.094 1.00 0.00 C ATOM 1336 O ILE A 93 3.640 -14.455 6.313 1.00 0.00 O ATOM 1337 CB ILE A 93 6.476 -12.339 6.596 1.00 0.00 C ATOM 1338 CG1 ILE A 93 7.852 -12.864 6.196 1.00 0.00 C ATOM 1339 CG2 ILE A 93 6.635 -11.241 7.643 1.00 0.00 C ATOM 1340 CD1 ILE A 93 8.812 -12.724 7.374 1.00 0.00 C ATOM 0 H ILE A 93 6.945 -15.112 7.128 1.00 0.00 H new ATOM 0 HA ILE A 93 4.970 -13.071 7.929 1.00 0.00 H new ATOM 0 HB ILE A 93 5.973 -11.934 5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.781 -13.909 5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.229 -12.309 5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.229 -10.426 7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.652 -10.865 7.928 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.138 -11.646 8.521 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.795 -13.099 7.089 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.892 -11.674 7.656 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.436 -13.299 8.220 1.00 0.00 H new ATOM 1352 N THR A 94 5.410 -14.366 4.923 1.00 0.00 N ATOM 1353 CA THR A 94 4.715 -14.995 3.817 1.00 0.00 C ATOM 1354 C THR A 94 3.489 -14.175 3.442 1.00 0.00 C ATOM 1355 O THR A 94 2.604 -13.964 4.267 1.00 0.00 O ATOM 1356 CB THR A 94 4.317 -16.415 4.209 1.00 0.00 C ATOM 1357 OG1 THR A 94 3.088 -16.384 4.899 1.00 0.00 O ATOM 1358 CG2 THR A 94 5.392 -17.014 5.111 1.00 0.00 C ATOM 0 H THR A 94 6.378 -14.115 4.724 1.00 0.00 H new ATOM 0 HA THR A 94 5.373 -15.042 2.950 1.00 0.00 H new ATOM 0 HB THR A 94 4.215 -17.025 3.312 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.922 -15.477 5.231 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.108 -18.028 5.391 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.343 -17.037 4.578 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.494 -16.405 6.009 1.00 0.00 H new ATOM 1366 N PHE A 95 3.439 -13.713 2.190 1.00 0.00 N ATOM 1367 CA PHE A 95 2.323 -12.921 1.714 1.00 0.00 C ATOM 1368 C PHE A 95 1.085 -13.798 1.585 1.00 0.00 C ATOM 1369 O PHE A 95 1.154 -15.007 1.793 1.00 0.00 O ATOM 1370 CB PHE A 95 2.684 -12.292 0.371 1.00 0.00 C ATOM 1371 CG PHE A 95 1.920 -11.024 0.075 1.00 0.00 C ATOM 1372 CD1 PHE A 95 2.252 -9.835 0.736 1.00 0.00 C ATOM 1373 CD2 PHE A 95 0.880 -11.036 -0.863 1.00 0.00 C ATOM 1374 CE1 PHE A 95 1.544 -8.659 0.459 1.00 0.00 C ATOM 1375 CE2 PHE A 95 0.173 -9.860 -1.140 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.505 -8.672 -0.479 1.00 0.00 C ATOM 0 H PHE A 95 4.165 -13.879 1.493 1.00 0.00 H new ATOM 0 HA PHE A 95 2.106 -12.125 2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.752 -12.075 0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.494 -13.015 -0.422 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.054 -9.825 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.623 -11.953 -1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.800 -7.742 0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.629 -9.870 -1.864 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.041 -7.765 -0.693 1.00 0.00 H new ATOM 1386 N SER A 96 -0.049 -13.184 1.240 1.00 0.00 N ATOM 1387 CA SER A 96 -1.293 -13.911 1.084 1.00 0.00 C ATOM 1388 C SER A 96 -2.362 -12.990 0.512 1.00 0.00 C ATOM 1389 O SER A 96 -2.900 -13.251 -0.562 1.00 0.00 O ATOM 1390 CB SER A 96 -1.727 -14.470 2.436 1.00 0.00 C ATOM 1391 OG SER A 96 -1.384 -15.836 2.511 1.00 0.00 O ATOM 0 H SER A 96 -0.123 -12.182 1.065 1.00 0.00 H new ATOM 0 HA SER A 96 -1.149 -14.740 0.392 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.244 -13.918 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.802 -14.346 2.565 1.00 0.00 H new ATOM 0 HG SER A 96 -0.432 -15.946 2.306 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.668 -11.909 1.232 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.667 -10.957 0.791 1.00 0.00 C ATOM 1399 C GLU A 97 -5.061 -11.498 1.076 1.00 0.00 C ATOM 1400 O GLU A 97 -5.991 -11.259 0.309 1.00 0.00 O ATOM 1401 CB GLU A 97 -3.486 -10.687 -0.700 1.00 0.00 C ATOM 1402 CG GLU A 97 -3.311 -9.188 -0.928 1.00 0.00 C ATOM 1403 CD GLU A 97 -2.983 -8.895 -2.385 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -2.951 -9.870 -3.167 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -2.769 -7.701 -2.689 1.00 0.00 O ATOM 0 H GLU A 97 -2.232 -11.678 2.125 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.546 -10.020 1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.617 -11.227 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.351 -11.051 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.224 -8.664 -0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.514 -8.809 -0.288 1.00 0.00 H new ATOM 1413 N GLN A 98 -5.204 -12.228 2.184 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.481 -12.798 2.564 1.00 0.00 C ATOM 1415 C GLN A 98 -6.691 -12.642 4.064 1.00 0.00 C ATOM 1416 O GLN A 98 -7.765 -12.239 4.504 1.00 0.00 O ATOM 1417 CB GLN A 98 -6.519 -14.270 2.162 1.00 0.00 C ATOM 1418 CG GLN A 98 -7.717 -14.519 1.251 1.00 0.00 C ATOM 1419 CD GLN A 98 -8.950 -14.888 2.063 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -9.805 -14.042 2.316 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -9.039 -16.156 2.472 1.00 0.00 N ATOM 0 H GLN A 98 -4.443 -12.434 2.831 1.00 0.00 H new ATOM 0 HA GLN A 98 -7.286 -12.273 2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.596 -14.542 1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.587 -14.899 3.050 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.920 -13.627 0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -7.485 -15.321 0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.302 -16.821 2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.844 -16.460 3.020 1.00 0.00 H new ATOM 1430 N CYS A 99 -5.659 -12.964 4.847 1.00 0.00 N ATOM 1431 CA CYS A 99 -5.729 -12.859 6.291 1.00 0.00 C ATOM 1432 C CYS A 99 -5.285 -11.469 6.723 1.00 0.00 C ATOM 1433 O CYS A 99 -4.091 -11.216 6.872 1.00 0.00 O ATOM 1434 CB CYS A 99 -4.845 -13.932 6.922 1.00 0.00 C ATOM 1435 SG CYS A 99 -5.056 -13.876 8.718 1.00 0.00 S ATOM 0 H CYS A 99 -4.763 -13.301 4.494 1.00 0.00 H new ATOM 0 HA CYS A 99 -6.755 -13.013 6.625 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -5.115 -14.917 6.540 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.801 -13.764 6.659 1.00 0.00 H new ATOM 0 HG CYS A 99 -4.310 -14.786 9.271 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.248 -10.567 6.926 1.00 0.00 N ATOM 1442 CA TYR A 100 -5.948 -9.211 7.338 1.00 0.00 C ATOM 1443 C TYR A 100 -4.706 -9.201 8.217 1.00 0.00 C ATOM 1444 O TYR A 100 -4.621 -9.954 9.184 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.145 -8.632 8.087 1.00 0.00 C ATOM 1446 CG TYR A 100 -7.928 -9.665 8.862 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -7.544 -10.000 10.165 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -9.038 -10.286 8.276 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -8.271 -10.957 10.884 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -9.764 -11.243 8.995 1.00 0.00 C ATOM 1451 CZ TYR A 100 -9.380 -11.579 10.299 1.00 0.00 C ATOM 1452 OH TYR A 100 -10.088 -12.511 11.000 1.00 0.00 O ATOM 0 H TYR A 100 -7.243 -10.761 6.809 1.00 0.00 H new ATOM 0 HA TYR A 100 -5.752 -8.595 6.460 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -6.795 -7.862 8.774 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.809 -8.145 7.373 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -6.688 -9.521 10.616 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -9.334 -10.027 7.270 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -7.976 -11.215 11.890 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -10.620 -11.722 8.544 1.00 0.00 H new ATOM 0 HH TYR A 100 -10.827 -12.843 10.449 1.00 0.00 H new ATOM 1462 N TYR A 101 -3.740 -8.344 7.878 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.509 -8.243 8.636 1.00 0.00 C ATOM 1464 C TYR A 101 -2.343 -6.825 9.164 1.00 0.00 C ATOM 1465 O TYR A 101 -3.226 -5.989 8.992 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.332 -8.630 7.746 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.316 -10.093 7.370 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -1.931 -11.036 8.201 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -0.687 -10.505 6.189 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -1.917 -12.392 7.852 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -0.673 -11.860 5.840 1.00 0.00 C ATOM 1472 CZ TYR A 101 -1.287 -12.804 6.671 1.00 0.00 C ATOM 1473 OH TYR A 101 -1.273 -14.125 6.331 1.00 0.00 O ATOM 0 H TYR A 101 -3.795 -7.712 7.079 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.544 -8.924 9.486 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.362 -8.030 6.837 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.402 -8.385 8.260 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.417 -10.718 9.112 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.213 -9.777 5.547 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.392 -13.120 8.493 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.188 -12.178 4.929 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.796 -14.239 5.482 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.205 -6.556 9.809 1.00 0.00 N ATOM 1484 CA VAL A 102 -0.928 -5.244 10.358 1.00 0.00 C ATOM 1485 C VAL A 102 0.555 -4.932 10.223 1.00 0.00 C ATOM 1486 O VAL A 102 1.398 -5.778 10.512 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.358 -5.205 11.822 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.210 -4.675 12.676 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.568 -4.287 11.971 1.00 0.00 C ATOM 0 H VAL A 102 -0.463 -7.239 9.960 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.490 -4.489 9.808 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.621 -6.211 12.151 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.517 -4.647 13.721 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.655 -5.329 12.569 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.053 -3.669 12.348 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.876 -4.258 13.016 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.305 -3.282 11.642 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.389 -4.665 11.361 1.00 0.00 H new ATOM 1499 N PHE A 103 0.873 -3.712 9.782 1.00 0.00 N ATOM 1500 CA PHE A 103 2.251 -3.298 9.613 1.00 0.00 C ATOM 1501 C PHE A 103 3.094 -3.823 10.766 1.00 0.00 C ATOM 1502 O PHE A 103 2.558 -4.226 11.796 1.00 0.00 O ATOM 1503 CB PHE A 103 2.318 -1.775 9.543 1.00 0.00 C ATOM 1504 CG PHE A 103 1.616 -1.088 10.691 1.00 0.00 C ATOM 1505 CD1 PHE A 103 2.069 -1.276 12.002 1.00 0.00 C ATOM 1506 CD2 PHE A 103 0.511 -0.264 10.444 1.00 0.00 C ATOM 1507 CE1 PHE A 103 1.418 -0.641 13.066 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -0.140 0.371 11.508 1.00 0.00 C ATOM 1509 CZ PHE A 103 0.313 0.183 12.819 1.00 0.00 C ATOM 0 H PHE A 103 0.186 -2.999 9.537 1.00 0.00 H new ATOM 0 HA PHE A 103 2.647 -3.710 8.685 1.00 0.00 H new ATOM 0 HB2 PHE A 103 3.363 -1.465 9.529 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.874 -1.442 8.605 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.921 -1.911 12.193 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.161 -0.118 9.433 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.768 -0.787 14.077 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -0.992 1.006 11.317 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.189 0.673 13.640 1.00 0.00 H new ATOM 1519 N GLY A 104 4.418 -3.818 10.593 1.00 0.00 N ATOM 1520 CA GLY A 104 5.322 -4.294 11.620 1.00 0.00 C ATOM 1521 C GLY A 104 6.591 -3.453 11.637 1.00 0.00 C ATOM 1522 O GLY A 104 6.596 -2.324 11.154 1.00 0.00 O ATOM 0 H GLY A 104 4.880 -3.487 9.746 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.834 -4.248 12.594 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.572 -5.339 11.438 1.00 0.00 H new ATOM 1526 N ASP A 105 7.668 -4.008 12.198 1.00 0.00 N ATOM 1527 CA ASP A 105 8.935 -3.308 12.276 1.00 0.00 C ATOM 1528 C ASP A 105 9.951 -4.165 13.016 1.00 0.00 C ATOM 1529 O ASP A 105 9.697 -4.606 14.135 1.00 0.00 O ATOM 1530 CB ASP A 105 8.734 -1.973 12.986 1.00 0.00 C ATOM 1531 CG ASP A 105 9.788 -0.963 12.555 1.00 0.00 C ATOM 1532 OD1 ASP A 105 10.838 -1.419 12.053 1.00 0.00 O ATOM 1533 OD2 ASP A 105 9.526 0.245 12.737 1.00 0.00 O ATOM 0 H ASP A 105 7.679 -4.944 12.604 1.00 0.00 H new ATOM 0 HA ASP A 105 9.313 -3.117 11.272 1.00 0.00 H new ATOM 0 HB2 ASP A 105 7.740 -1.585 12.763 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.785 -2.119 14.065 1.00 0.00 H new