USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 780 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 48 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 66 GLN : amide:sc=-0.00137 X(o=-0.0014,f=0.13) USER MOD Single : A 4 MET CE :methyl -131:sc= 0 (180deg=-2.33!) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0677 (180deg=-0.354) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 19 SER OG : rot -17:sc= 0.293 USER MOD Single : A 20 HIS : no HD1:sc= -0.0758 X(o=-0.076,f=-0.46) USER MOD Single : A 23 SER OG : rot -130:sc=-9.68e-07 USER MOD Single : A 24 MET CE :methyl -157:sc= -0.0991 (180deg=-0.507) USER MOD Single : A 29 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.7!) USER MOD Single : A 31 TYR OH : rot 30:sc= -0.0244 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot -29:sc= 0.245 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0589 USER MOD Single : A 42 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.41) USER MOD Single : A 45 GLN : amide:sc= -0.682 K(o=-0.68,f=-4.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -123:sc= 0.457 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -120:sc= -0.289 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -81:sc= 0.424 USER MOD Single : A 83 SER OG : rot -25:sc= 0.00333 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.536 F(o=-1.4,f=-0.54) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -168:sc=-0.00693 (180deg=-0.178) USER MOD Single : A 100 THR OG1 : rot -72:sc= 0.269 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 10.574 14.430 -4.140 1.00 0.00 N ATOM 21 CA GLY A 2 11.943 14.573 -3.673 1.00 0.00 C ATOM 22 C GLY A 2 12.475 13.303 -3.020 1.00 0.00 C ATOM 23 O GLY A 2 11.729 12.331 -2.882 1.00 0.00 O ATOM 0 HA2 GLY A 2 12.584 14.841 -4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.995 15.394 -2.958 1.00 0.00 H new ATOM 27 N PRO A 3 13.769 13.274 -2.597 1.00 0.00 N ATOM 28 CA PRO A 3 14.356 12.102 -1.957 1.00 0.00 C ATOM 29 C PRO A 3 13.950 11.982 -0.491 1.00 0.00 C ATOM 30 O PRO A 3 14.187 12.889 0.310 1.00 0.00 O ATOM 31 CB PRO A 3 15.871 12.315 -2.085 1.00 0.00 C ATOM 32 CG PRO A 3 16.081 13.694 -2.622 1.00 0.00 C ATOM 33 CD PRO A 3 14.745 14.373 -2.704 1.00 0.00 C ATOM 0 HA PRO A 3 14.016 11.179 -2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.358 12.201 -1.117 1.00 0.00 H new ATOM 0 HB3 PRO A 3 16.309 11.572 -2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.754 14.256 -1.974 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.547 13.652 -3.606 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.617 15.098 -1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.632 14.915 -3.643 1.00 0.00 H new ATOM 41 N MET A 4 13.328 10.851 -0.158 1.00 0.00 N ATOM 42 CA MET A 4 12.866 10.583 1.203 1.00 0.00 C ATOM 43 C MET A 4 13.127 9.117 1.587 1.00 0.00 C ATOM 44 O MET A 4 13.267 8.273 0.698 1.00 0.00 O ATOM 45 CB MET A 4 11.368 10.912 1.324 1.00 0.00 C ATOM 46 CG MET A 4 10.501 10.260 0.255 1.00 0.00 C ATOM 47 SD MET A 4 8.742 10.586 0.482 1.00 0.00 S ATOM 48 CE MET A 4 8.363 9.520 1.870 1.00 0.00 C ATOM 0 H MET A 4 13.131 10.100 -0.819 1.00 0.00 H new ATOM 0 HA MET A 4 13.423 11.218 1.891 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.015 10.596 2.306 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.239 11.993 1.272 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.809 10.622 -0.726 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.670 9.183 0.264 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.474 8.931 1.644 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.204 8.851 2.055 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.180 10.128 2.756 1.00 0.00 H new ATOM 58 N PRO A 5 13.204 8.783 2.917 1.00 0.00 N ATOM 59 CA PRO A 5 13.451 7.404 3.378 1.00 0.00 C ATOM 60 C PRO A 5 12.450 6.403 2.804 1.00 0.00 C ATOM 61 O PRO A 5 11.273 6.723 2.620 1.00 0.00 O ATOM 62 CB PRO A 5 13.293 7.494 4.898 1.00 0.00 C ATOM 63 CG PRO A 5 13.584 8.914 5.226 1.00 0.00 C ATOM 64 CD PRO A 5 13.065 9.712 4.067 1.00 0.00 C ATOM 0 HA PRO A 5 14.429 7.046 3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.286 7.215 5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.982 6.821 5.408 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.096 9.209 6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 5 14.654 9.073 5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.028 10.011 4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.642 10.625 3.918 1.00 0.00 H new ATOM 72 N LYS A 6 12.940 5.196 2.516 1.00 0.00 N ATOM 73 CA LYS A 6 12.113 4.133 1.949 1.00 0.00 C ATOM 74 C LYS A 6 11.120 3.596 2.974 1.00 0.00 C ATOM 75 O LYS A 6 11.461 3.412 4.146 1.00 0.00 O ATOM 76 CB LYS A 6 12.999 2.991 1.441 1.00 0.00 C ATOM 77 CG LYS A 6 14.057 3.437 0.436 1.00 0.00 C ATOM 78 CD LYS A 6 14.872 2.264 -0.106 1.00 0.00 C ATOM 79 CE LYS A 6 15.824 1.686 0.937 1.00 0.00 C ATOM 80 NZ LYS A 6 16.830 2.686 1.392 1.00 0.00 N ATOM 0 H LYS A 6 13.913 4.931 2.668 1.00 0.00 H new ATOM 0 HA LYS A 6 11.550 4.556 1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.493 2.521 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.368 2.232 0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.573 3.954 -0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.727 4.154 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.194 1.482 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.444 2.593 -0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.251 1.333 1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.337 0.820 0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.617 2.197 1.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.193 3.212 0.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.384 3.349 2.058 1.00 0.00 H new ATOM 94 N LEU A 7 9.892 3.342 2.518 1.00 0.00 N ATOM 95 CA LEU A 7 8.833 2.817 3.377 1.00 0.00 C ATOM 96 C LEU A 7 9.084 1.339 3.671 1.00 0.00 C ATOM 97 O LEU A 7 8.955 0.891 4.813 1.00 0.00 O ATOM 98 CB LEU A 7 7.463 2.998 2.702 1.00 0.00 C ATOM 99 CG LEU A 7 6.241 2.662 3.570 1.00 0.00 C ATOM 100 CD1 LEU A 7 6.067 3.679 4.692 1.00 0.00 C ATOM 101 CD2 LEU A 7 4.987 2.597 2.711 1.00 0.00 C ATOM 0 H LEU A 7 9.607 3.493 1.551 1.00 0.00 H new ATOM 0 HA LEU A 7 8.835 3.369 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.376 4.033 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.434 2.374 1.809 1.00 0.00 H new ATOM 0 HG LEU A 7 6.406 1.686 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.194 3.416 5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.954 3.678 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.928 4.672 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.128 2.358 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.827 3.561 2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.107 1.825 1.950 1.00 0.00 H new ATOM 113 N ALA A 8 9.451 0.601 2.624 1.00 0.00 N ATOM 114 CA ALA A 8 9.737 -0.826 2.733 1.00 0.00 C ATOM 115 C ALA A 8 10.871 -1.217 1.793 1.00 0.00 C ATOM 116 O ALA A 8 11.345 -0.389 1.010 1.00 0.00 O ATOM 117 CB ALA A 8 8.487 -1.641 2.437 1.00 0.00 C ATOM 0 H ALA A 8 9.558 0.975 1.681 1.00 0.00 H new ATOM 0 HA ALA A 8 10.052 -1.040 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.717 -2.703 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.705 -1.380 3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.142 -1.424 1.426 1.00 0.00 H new ATOM 123 N ASP A 9 11.310 -2.476 1.874 1.00 0.00 N ATOM 124 CA ASP A 9 12.395 -2.957 1.026 1.00 0.00 C ATOM 125 C ASP A 9 11.886 -3.942 -0.025 1.00 0.00 C ATOM 126 O ASP A 9 12.245 -3.834 -1.199 1.00 0.00 O ATOM 127 CB ASP A 9 13.495 -3.604 1.875 1.00 0.00 C ATOM 128 CG ASP A 9 14.799 -3.759 1.111 1.00 0.00 C ATOM 129 OD1 ASP A 9 15.359 -2.730 0.678 1.00 0.00 O ATOM 130 OD2 ASP A 9 15.260 -4.906 0.947 1.00 0.00 O ATOM 0 H ASP A 9 10.932 -3.174 2.515 1.00 0.00 H new ATOM 0 HA ASP A 9 12.814 -2.097 0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.668 -2.998 2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.158 -4.583 2.217 1.00 0.00 H new ATOM 135 N ARG A 10 11.046 -4.902 0.394 1.00 0.00 N ATOM 136 CA ARG A 10 10.498 -5.893 -0.538 1.00 0.00 C ATOM 137 C ARG A 10 8.969 -5.892 -0.530 1.00 0.00 C ATOM 138 O ARG A 10 8.325 -5.495 0.455 1.00 0.00 O ATOM 139 CB ARG A 10 10.997 -7.311 -0.230 1.00 0.00 C ATOM 140 CG ARG A 10 12.511 -7.469 -0.173 1.00 0.00 C ATOM 141 CD ARG A 10 13.030 -7.374 1.253 1.00 0.00 C ATOM 142 NE ARG A 10 14.453 -7.706 1.344 1.00 0.00 N ATOM 143 CZ ARG A 10 15.151 -7.728 2.484 1.00 0.00 C ATOM 144 NH1 ARG A 10 14.571 -7.438 3.647 1.00 0.00 N ATOM 145 NH2 ARG A 10 16.439 -8.042 2.461 1.00 0.00 N ATOM 0 H ARG A 10 10.736 -5.010 1.360 1.00 0.00 H new ATOM 0 HA ARG A 10 10.852 -5.602 -1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.579 -7.626 0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.605 -7.989 -0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.793 -8.431 -0.600 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.981 -6.699 -0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.869 -6.364 1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.459 -8.048 1.892 1.00 0.00 H new ATOM 0 HE ARG A 10 14.944 -7.936 0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.581 -7.195 3.676 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.117 -7.459 4.508 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.894 -8.266 1.576 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.975 -8.060 3.329 1.00 0.00 H new ATOM 159 N LYS A 11 8.409 -6.351 -1.651 1.00 0.00 N ATOM 160 CA LYS A 11 6.969 -6.431 -1.852 1.00 0.00 C ATOM 161 C LYS A 11 6.595 -7.808 -2.394 1.00 0.00 C ATOM 162 O LYS A 11 7.470 -8.579 -2.784 1.00 0.00 O ATOM 163 CB LYS A 11 6.542 -5.344 -2.842 1.00 0.00 C ATOM 164 CG LYS A 11 7.325 -5.386 -4.148 1.00 0.00 C ATOM 165 CD LYS A 11 7.161 -4.110 -4.945 1.00 0.00 C ATOM 166 CE LYS A 11 8.055 -4.108 -6.172 1.00 0.00 C ATOM 167 NZ LYS A 11 7.933 -2.841 -6.947 1.00 0.00 N ATOM 0 H LYS A 11 8.951 -6.680 -2.450 1.00 0.00 H new ATOM 0 HA LYS A 11 6.457 -6.280 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.479 -5.455 -3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.673 -4.366 -2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.381 -5.547 -3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.989 -6.233 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.120 -4.000 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.401 -3.252 -4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.092 -4.248 -5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.795 -4.951 -6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.559 -2.880 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.949 -2.720 -7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.206 -2.038 -6.345 1.00 0.00 H new ATOM 181 N LEU A 12 5.300 -8.110 -2.423 1.00 0.00 N ATOM 182 CA LEU A 12 4.827 -9.391 -2.931 1.00 0.00 C ATOM 183 C LEU A 12 3.767 -9.192 -4.004 1.00 0.00 C ATOM 184 O LEU A 12 2.691 -8.654 -3.735 1.00 0.00 O ATOM 185 CB LEU A 12 4.286 -10.273 -1.800 1.00 0.00 C ATOM 186 CG LEU A 12 5.350 -11.022 -0.985 1.00 0.00 C ATOM 187 CD1 LEU A 12 5.977 -10.118 0.067 1.00 0.00 C ATOM 188 CD2 LEU A 12 4.756 -12.262 -0.342 1.00 0.00 C ATOM 0 H LEU A 12 4.561 -7.485 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 12 5.679 -9.902 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.705 -9.649 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.599 -11.003 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 12 6.139 -11.333 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.726 -10.677 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.450 -9.266 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.204 -9.763 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.526 -12.779 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.942 -11.973 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.373 -12.926 -1.117 1.00 0.00 H new ATOM 200 N CYS A 13 4.095 -9.627 -5.221 1.00 0.00 N ATOM 201 CA CYS A 13 3.198 -9.512 -6.365 1.00 0.00 C ATOM 202 C CYS A 13 2.771 -10.899 -6.849 1.00 0.00 C ATOM 203 O CYS A 13 3.207 -11.916 -6.299 1.00 0.00 O ATOM 204 CB CYS A 13 3.895 -8.759 -7.502 1.00 0.00 C ATOM 205 SG CYS A 13 4.621 -7.161 -7.012 1.00 0.00 S ATOM 0 H CYS A 13 4.989 -10.068 -5.438 1.00 0.00 H new ATOM 0 HA CYS A 13 2.311 -8.958 -6.057 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.682 -9.392 -7.912 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.175 -8.587 -8.303 1.00 0.00 H new ATOM 210 N ALA A 14 1.930 -10.930 -7.885 1.00 0.00 N ATOM 211 CA ALA A 14 1.452 -12.186 -8.457 1.00 0.00 C ATOM 212 C ALA A 14 2.495 -12.775 -9.401 1.00 0.00 C ATOM 213 O ALA A 14 2.733 -13.984 -9.401 1.00 0.00 O ATOM 214 CB ALA A 14 0.134 -11.970 -9.184 1.00 0.00 C ATOM 0 H ALA A 14 1.566 -10.095 -8.345 1.00 0.00 H new ATOM 0 HA ALA A 14 1.286 -12.894 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.209 -12.915 -9.605 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.611 -11.593 -8.483 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.276 -11.246 -9.986 1.00 0.00 H new ATOM 220 N ASP A 15 3.118 -11.900 -10.193 1.00 0.00 N ATOM 221 CA ASP A 15 4.154 -12.299 -11.145 1.00 0.00 C ATOM 222 C ASP A 15 5.433 -11.500 -10.897 1.00 0.00 C ATOM 223 O ASP A 15 5.429 -10.544 -10.117 1.00 0.00 O ATOM 224 CB ASP A 15 3.678 -12.078 -12.590 1.00 0.00 C ATOM 225 CG ASP A 15 2.570 -13.029 -13.023 1.00 0.00 C ATOM 226 OD1 ASP A 15 2.212 -13.942 -12.248 1.00 0.00 O ATOM 227 OD2 ASP A 15 2.066 -12.865 -14.154 1.00 0.00 O ATOM 0 H ASP A 15 2.919 -10.900 -10.192 1.00 0.00 H new ATOM 0 HA ASP A 15 4.359 -13.360 -11.002 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.325 -11.052 -12.694 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.527 -12.193 -13.264 1.00 0.00 H new ATOM 232 N GLN A 16 6.519 -11.891 -11.573 1.00 0.00 N ATOM 233 CA GLN A 16 7.808 -11.205 -11.436 1.00 0.00 C ATOM 234 C GLN A 16 7.750 -9.819 -12.093 1.00 0.00 C ATOM 235 O GLN A 16 8.589 -8.953 -11.824 1.00 0.00 O ATOM 236 CB GLN A 16 8.925 -12.058 -12.053 1.00 0.00 C ATOM 237 CG GLN A 16 10.337 -11.558 -11.749 1.00 0.00 C ATOM 238 CD GLN A 16 11.453 -12.431 -12.325 1.00 0.00 C ATOM 239 OE1 GLN A 16 11.107 -13.558 -12.948 1.00 0.00 O flip ATOM 240 NE2 GLN A 16 12.629 -12.091 -12.202 1.00 0.00 N flip ATOM 0 H GLN A 16 6.531 -12.679 -12.220 1.00 0.00 H new ATOM 0 HA GLN A 16 8.025 -11.067 -10.377 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.828 -13.081 -11.690 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.788 -12.089 -13.134 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.444 -10.547 -12.142 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.462 -11.495 -10.668 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.861 -11.223 -11.720 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.372 -12.678 -12.582 1.00 0.00 H new ATOM 249 N GLU A 17 6.734 -9.613 -12.934 1.00 0.00 N ATOM 250 CA GLU A 17 6.531 -8.338 -13.616 1.00 0.00 C ATOM 251 C GLU A 17 5.686 -7.410 -12.757 1.00 0.00 C ATOM 252 O GLU A 17 5.672 -6.195 -12.978 1.00 0.00 O ATOM 253 CB GLU A 17 5.826 -8.556 -14.965 1.00 0.00 C ATOM 254 CG GLU A 17 6.656 -9.327 -15.989 1.00 0.00 C ATOM 255 CD GLU A 17 7.822 -8.532 -16.568 1.00 0.00 C ATOM 256 OE1 GLU A 17 7.940 -7.321 -16.273 1.00 0.00 O ATOM 257 OE2 GLU A 17 8.612 -9.123 -17.333 1.00 0.00 O ATOM 0 H GLU A 17 6.035 -10.321 -13.159 1.00 0.00 H new ATOM 0 HA GLU A 17 7.508 -7.886 -13.789 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.893 -9.093 -14.792 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.562 -7.585 -15.385 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.044 -10.232 -15.520 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.005 -9.644 -16.804 1.00 0.00 H new ATOM 264 N CYS A 18 4.968 -8.009 -11.787 1.00 0.00 N ATOM 265 CA CYS A 18 4.078 -7.279 -10.873 1.00 0.00 C ATOM 266 C CYS A 18 3.048 -6.479 -11.679 1.00 0.00 C ATOM 267 O CYS A 18 2.602 -5.401 -11.274 1.00 0.00 O ATOM 268 CB CYS A 18 4.883 -6.372 -9.929 1.00 0.00 C ATOM 269 SG CYS A 18 3.975 -5.862 -8.434 1.00 0.00 S ATOM 0 H CYS A 18 4.991 -9.015 -11.618 1.00 0.00 H new ATOM 0 HA CYS A 18 3.544 -7.997 -10.251 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.792 -6.893 -9.629 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.192 -5.481 -10.475 1.00 0.00 H new ATOM 274 N SER A 19 2.695 -7.037 -12.837 1.00 0.00 N ATOM 275 CA SER A 19 1.741 -6.429 -13.753 1.00 0.00 C ATOM 276 C SER A 19 0.338 -7.013 -13.557 1.00 0.00 C ATOM 277 O SER A 19 -0.636 -6.521 -14.134 1.00 0.00 O ATOM 278 CB SER A 19 2.227 -6.637 -15.185 1.00 0.00 C ATOM 279 OG SER A 19 1.309 -6.112 -16.131 1.00 0.00 O ATOM 0 H SER A 19 3.067 -7.929 -13.164 1.00 0.00 H new ATOM 0 HA SER A 19 1.675 -5.361 -13.546 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.197 -6.157 -15.314 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.371 -7.702 -15.370 1.00 0.00 H new ATOM 0 HG SER A 19 0.442 -5.965 -15.699 1.00 0.00 H new ATOM 285 N HIS A 20 0.249 -8.057 -12.730 1.00 0.00 N ATOM 286 CA HIS A 20 -1.023 -8.716 -12.437 1.00 0.00 C ATOM 287 C HIS A 20 -1.629 -8.221 -11.115 1.00 0.00 C ATOM 288 O HIS A 20 -0.890 -7.920 -10.175 1.00 0.00 O ATOM 289 CB HIS A 20 -0.835 -10.236 -12.363 1.00 0.00 C ATOM 290 CG HIS A 20 -1.025 -10.977 -13.657 1.00 0.00 C ATOM 291 ND1 HIS A 20 -1.061 -12.351 -13.712 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.220 -10.550 -14.934 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.274 -12.741 -14.952 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.373 -11.668 -15.717 1.00 0.00 N ATOM 0 H HIS A 20 1.050 -8.466 -12.249 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.707 -8.466 -13.248 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.168 -10.442 -11.991 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.536 -10.636 -11.630 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.249 -9.524 -15.269 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.354 -13.765 -15.287 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.536 -11.670 -16.724 1.00 0.00 H new ATOM 303 N PRO A 21 -2.989 -8.147 -11.009 1.00 0.00 N ATOM 304 CA PRO A 21 -3.664 -7.713 -9.794 1.00 0.00 C ATOM 305 C PRO A 21 -3.970 -8.887 -8.862 1.00 0.00 C ATOM 306 O PRO A 21 -4.674 -9.829 -9.240 1.00 0.00 O ATOM 307 CB PRO A 21 -4.954 -7.079 -10.323 1.00 0.00 C ATOM 308 CG PRO A 21 -5.191 -7.672 -11.683 1.00 0.00 C ATOM 309 CD PRO A 21 -3.979 -8.495 -12.047 1.00 0.00 C ATOM 0 HA PRO A 21 -3.058 -7.031 -9.197 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.791 -7.288 -9.657 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.858 -5.995 -10.383 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.087 -8.293 -11.678 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.353 -6.885 -12.420 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.204 -9.561 -12.043 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.615 -8.250 -13.045 1.00 0.00 H new ATOM 317 N ILE A 22 -3.419 -8.832 -7.650 1.00 0.00 N ATOM 318 CA ILE A 22 -3.610 -9.894 -6.667 1.00 0.00 C ATOM 319 C ILE A 22 -5.050 -9.946 -6.160 1.00 0.00 C ATOM 320 O ILE A 22 -5.748 -10.929 -6.386 1.00 0.00 O ATOM 321 CB ILE A 22 -2.660 -9.744 -5.453 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.205 -9.630 -5.925 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.825 -10.929 -4.495 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.250 -9.157 -4.849 1.00 0.00 C ATOM 0 H ILE A 22 -2.836 -8.061 -7.326 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.377 -10.823 -7.187 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.921 -8.831 -4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.874 -10.602 -6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.159 -8.940 -6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.150 -10.808 -3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.854 -10.967 -4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.588 -11.855 -5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.759 -9.101 -5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.555 -8.171 -4.500 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.266 -9.858 -4.015 1.00 0.00 H new ATOM 336 N SER A 23 -5.471 -8.901 -5.449 1.00 0.00 N ATOM 337 CA SER A 23 -6.815 -8.858 -4.884 1.00 0.00 C ATOM 338 C SER A 23 -7.489 -7.510 -5.094 1.00 0.00 C ATOM 339 O SER A 23 -6.874 -6.456 -4.921 1.00 0.00 O ATOM 340 CB SER A 23 -6.748 -9.168 -3.388 1.00 0.00 C ATOM 341 OG SER A 23 -5.809 -8.326 -2.744 1.00 0.00 O ATOM 0 H SER A 23 -4.902 -8.077 -5.252 1.00 0.00 H new ATOM 0 HA SER A 23 -7.413 -9.607 -5.403 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.732 -9.034 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.470 -10.211 -3.240 1.00 0.00 H new ATOM 0 HG SER A 23 -5.204 -8.869 -2.196 1.00 0.00 H new ATOM 347 N MET A 24 -8.773 -7.568 -5.440 1.00 0.00 N ATOM 348 CA MET A 24 -9.582 -6.379 -5.651 1.00 0.00 C ATOM 349 C MET A 24 -10.226 -5.985 -4.323 1.00 0.00 C ATOM 350 O MET A 24 -11.084 -6.705 -3.804 1.00 0.00 O ATOM 351 CB MET A 24 -10.639 -6.660 -6.720 1.00 0.00 C ATOM 352 CG MET A 24 -11.400 -5.427 -7.179 1.00 0.00 C ATOM 353 SD MET A 24 -12.901 -5.114 -6.222 1.00 0.00 S ATOM 354 CE MET A 24 -13.930 -6.488 -6.730 1.00 0.00 C ATOM 0 H MET A 24 -9.278 -8.443 -5.581 1.00 0.00 H new ATOM 0 HA MET A 24 -8.964 -5.552 -6.002 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.155 -7.117 -7.583 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.350 -7.388 -6.330 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.746 -4.558 -7.109 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.665 -5.543 -8.230 1.00 0.00 H new ATOM 0 HE1 MET A 24 -14.978 -6.236 -6.571 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.763 -6.697 -7.787 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.676 -7.370 -6.142 1.00 0.00 H new ATOM 364 N ALA A 25 -9.785 -4.858 -3.765 1.00 0.00 N ATOM 365 CA ALA A 25 -10.296 -4.389 -2.481 1.00 0.00 C ATOM 366 C ALA A 25 -11.065 -3.081 -2.615 1.00 0.00 C ATOM 367 O ALA A 25 -10.719 -2.226 -3.433 1.00 0.00 O ATOM 368 CB ALA A 25 -9.150 -4.224 -1.495 1.00 0.00 C ATOM 0 H ALA A 25 -9.076 -4.255 -4.182 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.993 -5.140 -2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.540 -3.874 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.651 -5.183 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.437 -3.497 -1.884 1.00 0.00 H new ATOM 374 N VAL A 26 -12.107 -2.941 -1.797 1.00 0.00 N ATOM 375 CA VAL A 26 -12.944 -1.733 -1.802 1.00 0.00 C ATOM 376 C VAL A 26 -12.479 -0.748 -0.719 1.00 0.00 C ATOM 377 O VAL A 26 -12.090 -1.163 0.376 1.00 0.00 O ATOM 378 CB VAL A 26 -14.441 -2.091 -1.585 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.330 -0.855 -1.691 1.00 0.00 C ATOM 380 CG2 VAL A 26 -14.889 -3.144 -2.589 1.00 0.00 C ATOM 0 H VAL A 26 -12.395 -3.648 -1.120 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.839 -1.260 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.541 -2.495 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.370 -1.140 -1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.035 -0.129 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.221 -0.412 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.939 -3.382 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.760 -2.760 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.288 -4.045 -2.464 1.00 0.00 H new ATOM 390 N ALA A 27 -12.521 0.558 -1.037 1.00 0.00 N ATOM 391 CA ALA A 27 -12.108 1.606 -0.094 1.00 0.00 C ATOM 392 C ALA A 27 -13.250 1.990 0.843 1.00 0.00 C ATOM 393 O ALA A 27 -14.382 2.224 0.401 1.00 0.00 O ATOM 394 CB ALA A 27 -11.601 2.828 -0.838 1.00 0.00 C ATOM 0 H ALA A 27 -12.837 0.910 -1.940 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.295 1.205 0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.300 3.592 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.745 2.550 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.393 3.221 -1.475 1.00 0.00 H new ATOM 400 N LEU A 28 -12.937 2.033 2.140 1.00 0.00 N ATOM 401 CA LEU A 28 -13.916 2.357 3.178 1.00 0.00 C ATOM 402 C LEU A 28 -13.963 3.847 3.522 1.00 0.00 C ATOM 403 O LEU A 28 -14.828 4.261 4.300 1.00 0.00 O ATOM 404 CB LEU A 28 -13.626 1.550 4.462 1.00 0.00 C ATOM 405 CG LEU A 28 -14.016 0.053 4.466 1.00 0.00 C ATOM 406 CD1 LEU A 28 -15.504 -0.134 4.181 1.00 0.00 C ATOM 407 CD2 LEU A 28 -13.173 -0.746 3.482 1.00 0.00 C ATOM 0 H LEU A 28 -12.001 1.845 2.499 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.889 2.086 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.558 1.620 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.144 2.035 5.289 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.814 -0.330 5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.746 -1.197 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.088 0.378 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.742 0.283 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.474 -1.793 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.320 -0.354 2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.121 -0.663 3.754 1.00 0.00 H new ATOM 419 N GLN A 29 -13.045 4.653 2.961 1.00 0.00 N ATOM 420 CA GLN A 29 -13.027 6.097 3.250 1.00 0.00 C ATOM 421 C GLN A 29 -12.141 6.884 2.276 1.00 0.00 C ATOM 422 O GLN A 29 -11.600 6.328 1.317 1.00 0.00 O ATOM 423 CB GLN A 29 -12.562 6.354 4.696 1.00 0.00 C ATOM 424 CG GLN A 29 -11.191 5.763 5.027 1.00 0.00 C ATOM 425 CD GLN A 29 -10.714 6.056 6.453 1.00 0.00 C ATOM 426 OE1 GLN A 29 -9.653 5.585 6.860 1.00 0.00 O ATOM 427 NE2 GLN A 29 -11.480 6.833 7.223 1.00 0.00 N ATOM 0 H GLN A 29 -12.319 4.337 2.317 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.050 6.452 3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.534 7.429 4.871 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.300 5.939 5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.227 4.683 4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.458 6.155 4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.355 7.209 6.858 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.190 7.050 8.177 1.00 0.00 H new ATOM 436 N ASP A 30 -12.015 8.194 2.543 1.00 0.00 N ATOM 437 CA ASP A 30 -11.217 9.101 1.718 1.00 0.00 C ATOM 438 C ASP A 30 -9.764 9.159 2.187 1.00 0.00 C ATOM 439 O ASP A 30 -9.477 9.026 3.379 1.00 0.00 O ATOM 440 CB ASP A 30 -11.815 10.512 1.755 1.00 0.00 C ATOM 441 CG ASP A 30 -13.216 10.576 1.178 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.367 10.355 -0.041 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.161 10.847 1.948 1.00 0.00 O ATOM 0 H ASP A 30 -12.465 8.649 3.337 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.235 8.716 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.836 10.865 2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.167 11.190 1.199 1.00 0.00 H new ATOM 448 N TYR A 31 -8.862 9.377 1.229 1.00 0.00 N ATOM 449 CA TYR A 31 -7.430 9.482 1.499 1.00 0.00 C ATOM 450 C TYR A 31 -6.763 10.378 0.456 1.00 0.00 C ATOM 451 O TYR A 31 -7.033 10.248 -0.738 1.00 0.00 O ATOM 452 CB TYR A 31 -6.762 8.099 1.475 1.00 0.00 C ATOM 453 CG TYR A 31 -5.443 8.051 2.226 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.411 7.973 3.615 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.230 8.085 1.545 1.00 0.00 C ATOM 456 CE1 TYR A 31 -4.213 7.933 4.301 1.00 0.00 C ATOM 457 CE2 TYR A 31 -3.028 8.047 2.226 1.00 0.00 C ATOM 458 CZ TYR A 31 -3.025 7.970 3.603 1.00 0.00 C ATOM 459 OH TYR A 31 -1.831 7.931 4.285 1.00 0.00 O ATOM 0 H TYR A 31 -9.105 9.486 0.244 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.308 9.916 2.491 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.444 7.367 1.907 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.593 7.804 0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.339 7.943 4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.228 8.142 0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.207 7.873 5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.095 8.077 1.682 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.945 7.424 5.116 1.00 0.00 H new ATOM 469 N MET A 32 -5.885 11.273 0.908 1.00 0.00 N ATOM 470 CA MET A 32 -5.172 12.172 0.020 1.00 0.00 C ATOM 471 C MET A 32 -3.683 11.817 0.014 1.00 0.00 C ATOM 472 O MET A 32 -3.121 11.492 1.061 1.00 0.00 O ATOM 473 CB MET A 32 -5.398 13.618 0.474 1.00 0.00 C ATOM 474 CG MET A 32 -4.636 14.646 -0.330 1.00 0.00 C ATOM 475 SD MET A 32 -5.069 14.654 -2.082 1.00 0.00 S ATOM 476 CE MET A 32 -4.002 15.959 -2.689 1.00 0.00 C ATOM 0 H MET A 32 -5.654 11.390 1.894 1.00 0.00 H new ATOM 0 HA MET A 32 -5.548 12.068 -0.998 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.463 13.843 0.415 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.111 13.707 1.522 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.825 15.635 0.087 1.00 0.00 H new ATOM 0 HG3 MET A 32 -3.567 14.456 -0.229 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.154 16.084 -3.761 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.240 16.891 -2.177 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.961 15.696 -2.499 1.00 0.00 H new ATOM 486 N ALA A 33 -3.060 11.861 -1.170 1.00 0.00 N ATOM 487 CA ALA A 33 -1.641 11.527 -1.311 1.00 0.00 C ATOM 488 C ALA A 33 -0.737 12.763 -1.184 1.00 0.00 C ATOM 489 O ALA A 33 -0.698 13.592 -2.098 1.00 0.00 O ATOM 490 CB ALA A 33 -1.391 10.843 -2.644 1.00 0.00 C ATOM 0 H ALA A 33 -3.518 12.125 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.389 10.848 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.332 10.600 -2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.979 9.927 -2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.682 11.510 -3.455 1.00 0.00 H new ATOM 496 N PRO A 34 0.011 12.913 -0.054 1.00 0.00 N ATOM 497 CA PRO A 34 0.907 14.054 0.151 1.00 0.00 C ATOM 498 C PRO A 34 2.213 13.919 -0.636 1.00 0.00 C ATOM 499 O PRO A 34 2.685 14.882 -1.244 1.00 0.00 O ATOM 500 CB PRO A 34 1.202 14.036 1.659 1.00 0.00 C ATOM 501 CG PRO A 34 0.367 12.940 2.233 1.00 0.00 C ATOM 502 CD PRO A 34 0.053 12.006 1.106 1.00 0.00 C ATOM 0 HA PRO A 34 0.449 14.981 -0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.261 13.858 1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.954 14.994 2.116 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.902 12.421 3.028 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.548 13.339 2.672 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.816 11.236 0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.897 11.494 1.256 1.00 0.00 H new ATOM 510 N ASP A 35 2.792 12.715 -0.600 1.00 0.00 N ATOM 511 CA ASP A 35 4.048 12.423 -1.285 1.00 0.00 C ATOM 512 C ASP A 35 3.807 11.898 -2.708 1.00 0.00 C ATOM 513 O ASP A 35 2.719 11.406 -3.027 1.00 0.00 O ATOM 514 CB ASP A 35 4.863 11.448 -0.418 1.00 0.00 C ATOM 515 CG ASP A 35 5.596 10.373 -1.189 1.00 0.00 C ATOM 516 OD1 ASP A 35 6.580 10.694 -1.888 1.00 0.00 O ATOM 517 OD2 ASP A 35 5.178 9.209 -1.091 1.00 0.00 O ATOM 0 H ASP A 35 2.402 11.919 -0.095 1.00 0.00 H new ATOM 0 HA ASP A 35 4.624 13.340 -1.410 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.589 12.019 0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.191 10.970 0.295 1.00 0.00 H new ATOM 522 N CYS A 36 4.837 12.036 -3.552 1.00 0.00 N ATOM 523 CA CYS A 36 4.785 11.620 -4.959 1.00 0.00 C ATOM 524 C CYS A 36 4.487 10.128 -5.153 1.00 0.00 C ATOM 525 O CYS A 36 3.769 9.766 -6.089 1.00 0.00 O ATOM 526 CB CYS A 36 6.102 11.968 -5.659 1.00 0.00 C ATOM 527 SG CYS A 36 7.560 11.081 -5.010 1.00 0.00 S ATOM 0 H CYS A 36 5.732 12.440 -3.278 1.00 0.00 H new ATOM 0 HA CYS A 36 3.954 12.168 -5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.003 11.749 -6.722 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.275 13.040 -5.569 1.00 0.00 H new ATOM 0 HG CYS A 36 7.374 10.802 -3.754 1.00 0.00 H new ATOM 532 N ARG A 37 5.048 9.262 -4.299 1.00 0.00 N ATOM 533 CA ARG A 37 4.830 7.820 -4.447 1.00 0.00 C ATOM 534 C ARG A 37 3.630 7.301 -3.642 1.00 0.00 C ATOM 535 O ARG A 37 3.473 6.088 -3.474 1.00 0.00 O ATOM 536 CB ARG A 37 6.120 7.009 -4.166 1.00 0.00 C ATOM 537 CG ARG A 37 6.858 7.340 -2.874 1.00 0.00 C ATOM 538 CD ARG A 37 6.462 6.417 -1.730 1.00 0.00 C ATOM 539 NE ARG A 37 7.300 6.614 -0.549 1.00 0.00 N ATOM 540 CZ ARG A 37 7.059 6.063 0.642 1.00 0.00 C ATOM 541 NH1 ARG A 37 5.960 5.344 0.849 1.00 0.00 N ATOM 542 NH2 ARG A 37 7.914 6.243 1.640 1.00 0.00 N ATOM 0 H ARG A 37 5.644 9.528 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 37 4.571 7.661 -5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.862 5.950 -4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.806 7.158 -5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.932 7.266 -3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.650 8.373 -2.594 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.419 6.593 -1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.537 5.380 -2.059 1.00 0.00 H new ATOM 0 HE ARG A 37 8.122 7.211 -0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.289 5.208 0.093 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.788 4.928 1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.755 6.802 1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.731 5.822 2.551 1.00 0.00 H new ATOM 556 N PHE A 38 2.754 8.214 -3.197 1.00 0.00 N ATOM 557 CA PHE A 38 1.541 7.821 -2.473 1.00 0.00 C ATOM 558 C PHE A 38 0.349 7.840 -3.436 1.00 0.00 C ATOM 559 O PHE A 38 0.475 8.337 -4.558 1.00 0.00 O ATOM 560 CB PHE A 38 1.286 8.741 -1.270 1.00 0.00 C ATOM 561 CG PHE A 38 1.572 8.102 0.070 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.840 7.633 0.391 1.00 0.00 C ATOM 563 CD2 PHE A 38 0.566 7.982 1.015 1.00 0.00 C ATOM 564 CE1 PHE A 38 3.092 7.057 1.621 1.00 0.00 C ATOM 565 CE2 PHE A 38 0.814 7.407 2.246 1.00 0.00 C ATOM 566 CZ PHE A 38 2.078 6.944 2.549 1.00 0.00 C ATOM 0 H PHE A 38 2.863 9.220 -3.325 1.00 0.00 H new ATOM 0 HA PHE A 38 1.675 6.812 -2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.902 9.634 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.246 9.067 -1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.639 7.720 -0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.426 8.343 0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.082 6.695 1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.019 7.320 2.971 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.273 6.494 3.511 1.00 0.00 H new ATOM 576 N LEU A 39 -0.794 7.281 -3.017 1.00 0.00 N ATOM 577 CA LEU A 39 -1.978 7.228 -3.885 1.00 0.00 C ATOM 578 C LEU A 39 -3.212 7.870 -3.238 1.00 0.00 C ATOM 579 O LEU A 39 -3.529 7.601 -2.077 1.00 0.00 O ATOM 580 CB LEU A 39 -2.273 5.764 -4.263 1.00 0.00 C ATOM 581 CG LEU A 39 -3.419 5.528 -5.266 1.00 0.00 C ATOM 582 CD1 LEU A 39 -3.162 6.245 -6.587 1.00 0.00 C ATOM 583 CD2 LEU A 39 -3.600 4.039 -5.512 1.00 0.00 C ATOM 0 H LEU A 39 -0.924 6.864 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.756 7.807 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.363 5.329 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.502 5.216 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.331 5.938 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.990 6.057 -7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.075 7.317 -6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.236 5.875 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.412 3.884 -6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.678 3.623 -5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.840 3.541 -4.572 1.00 0.00 H new ATOM 595 N THR A 40 -3.910 8.709 -4.022 1.00 0.00 N ATOM 596 CA THR A 40 -5.127 9.388 -3.564 1.00 0.00 C ATOM 597 C THR A 40 -6.346 8.519 -3.879 1.00 0.00 C ATOM 598 O THR A 40 -6.611 8.208 -5.043 1.00 0.00 O ATOM 599 CB THR A 40 -5.266 10.764 -4.236 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.084 11.524 -4.080 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.406 11.601 -3.685 1.00 0.00 C ATOM 0 H THR A 40 -3.647 8.932 -4.982 1.00 0.00 H new ATOM 0 HA THR A 40 -5.062 9.541 -2.487 1.00 0.00 H new ATOM 0 HB THR A 40 -5.468 10.541 -5.284 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.195 12.394 -4.517 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.441 12.557 -4.208 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.348 11.073 -3.830 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.248 11.775 -2.621 1.00 0.00 H new ATOM 609 N ILE A 41 -7.066 8.115 -2.831 1.00 0.00 N ATOM 610 CA ILE A 41 -8.245 7.257 -2.978 1.00 0.00 C ATOM 611 C ILE A 41 -9.486 7.927 -2.379 1.00 0.00 C ATOM 612 O ILE A 41 -9.370 8.737 -1.466 1.00 0.00 O ATOM 613 CB ILE A 41 -8.003 5.884 -2.288 1.00 0.00 C ATOM 614 CG1 ILE A 41 -6.685 5.269 -2.788 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.168 4.930 -2.548 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.254 4.017 -2.053 1.00 0.00 C ATOM 0 H ILE A 41 -6.853 8.369 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.416 7.097 -4.043 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.933 6.046 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.788 5.035 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.895 6.015 -2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.975 3.977 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.088 5.363 -2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.274 4.769 -3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.316 3.654 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.115 4.245 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.021 3.250 -2.160 1.00 0.00 H new ATOM 628 N HIS A 42 -10.670 7.579 -2.893 1.00 0.00 N ATOM 629 CA HIS A 42 -11.925 8.140 -2.392 1.00 0.00 C ATOM 630 C HIS A 42 -12.831 7.044 -1.831 1.00 0.00 C ATOM 631 O HIS A 42 -12.706 5.870 -2.193 1.00 0.00 O ATOM 632 CB HIS A 42 -12.660 8.917 -3.489 1.00 0.00 C ATOM 633 CG HIS A 42 -11.975 10.186 -3.899 1.00 0.00 C ATOM 634 ND1 HIS A 42 -10.706 10.222 -4.439 1.00 0.00 N ATOM 635 CD2 HIS A 42 -12.395 11.473 -3.845 1.00 0.00 C ATOM 636 CE1 HIS A 42 -10.374 11.475 -4.698 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.382 12.252 -4.347 1.00 0.00 N ATOM 0 H HIS A 42 -10.784 6.911 -3.656 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.675 8.831 -1.587 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.769 8.276 -4.364 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.665 9.155 -3.141 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -13.348 11.821 -3.476 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.438 11.806 -5.124 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -11.405 13.268 -4.435 1.00 0.00 H new ATOM 646 N ARG A 43 -13.737 7.454 -0.943 1.00 0.00 N ATOM 647 CA ARG A 43 -14.692 6.553 -0.295 1.00 0.00 C ATOM 648 C ARG A 43 -15.649 5.922 -1.315 1.00 0.00 C ATOM 649 O ARG A 43 -16.398 6.626 -2.000 1.00 0.00 O ATOM 650 CB ARG A 43 -15.454 7.349 0.795 1.00 0.00 C ATOM 651 CG ARG A 43 -16.798 6.776 1.249 1.00 0.00 C ATOM 652 CD ARG A 43 -16.682 5.462 2.000 1.00 0.00 C ATOM 653 NE ARG A 43 -17.987 5.022 2.495 1.00 0.00 N ATOM 654 CZ ARG A 43 -18.229 3.838 3.064 1.00 0.00 C ATOM 655 NH1 ARG A 43 -17.267 2.930 3.185 1.00 0.00 N ATOM 656 NH2 ARG A 43 -19.447 3.557 3.504 1.00 0.00 N ATOM 0 H ARG A 43 -13.830 8.427 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.158 5.725 0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.808 7.435 1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.623 8.360 0.423 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.296 7.506 1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -17.434 6.630 0.376 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.263 4.700 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.992 5.577 2.836 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.771 5.668 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.328 3.133 2.841 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.467 2.030 3.622 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -20.195 4.244 3.407 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.636 2.654 3.939 1.00 0.00 H new ATOM 670 N GLY A 44 -15.618 4.584 -1.393 1.00 0.00 N ATOM 671 CA GLY A 44 -16.490 3.865 -2.310 1.00 0.00 C ATOM 672 C GLY A 44 -15.844 3.520 -3.644 1.00 0.00 C ATOM 673 O GLY A 44 -16.503 2.937 -4.509 1.00 0.00 O ATOM 0 H GLY A 44 -15.003 3.991 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.822 2.944 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.380 4.467 -2.495 1.00 0.00 H new ATOM 677 N GLN A 45 -14.566 3.873 -3.823 1.00 0.00 N ATOM 678 CA GLN A 45 -13.868 3.579 -5.078 1.00 0.00 C ATOM 679 C GLN A 45 -13.267 2.177 -5.081 1.00 0.00 C ATOM 680 O GLN A 45 -13.007 1.593 -4.024 1.00 0.00 O ATOM 681 CB GLN A 45 -12.766 4.604 -5.357 1.00 0.00 C ATOM 682 CG GLN A 45 -13.286 5.958 -5.807 1.00 0.00 C ATOM 683 CD GLN A 45 -12.200 6.823 -6.419 1.00 0.00 C ATOM 684 OE1 GLN A 45 -11.177 7.098 -5.791 1.00 0.00 O ATOM 685 NE2 GLN A 45 -12.417 7.258 -7.656 1.00 0.00 N ATOM 0 H GLN A 45 -14.001 4.356 -3.125 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.617 3.636 -5.867 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.169 4.736 -4.454 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.100 4.208 -6.124 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.084 5.813 -6.535 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.723 6.478 -4.954 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.278 7.007 -8.141 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.722 7.843 -8.120 1.00 0.00 H new ATOM 694 N VAL A 46 -13.043 1.657 -6.290 1.00 0.00 N ATOM 695 CA VAL A 46 -12.461 0.329 -6.484 1.00 0.00 C ATOM 696 C VAL A 46 -10.948 0.449 -6.639 1.00 0.00 C ATOM 697 O VAL A 46 -10.470 1.214 -7.479 1.00 0.00 O ATOM 698 CB VAL A 46 -13.042 -0.367 -7.740 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.641 -1.833 -7.786 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.556 -0.225 -7.801 1.00 0.00 C ATOM 0 H VAL A 46 -13.260 2.144 -7.160 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.706 -0.273 -5.609 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.622 0.131 -8.614 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.062 -2.298 -8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.554 -1.912 -7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.019 -2.342 -6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.933 -0.724 -8.694 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.000 -0.681 -6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.821 0.832 -7.837 1.00 0.00 H new ATOM 710 N VAL A 47 -10.198 -0.296 -5.825 1.00 0.00 N ATOM 711 CA VAL A 47 -8.735 -0.255 -5.879 1.00 0.00 C ATOM 712 C VAL A 47 -8.146 -1.651 -6.075 1.00 0.00 C ATOM 713 O VAL A 47 -8.394 -2.558 -5.280 1.00 0.00 O ATOM 714 CB VAL A 47 -8.124 0.378 -4.600 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.629 0.621 -4.774 1.00 0.00 C ATOM 716 CG2 VAL A 47 -8.831 1.675 -4.237 1.00 0.00 C ATOM 0 H VAL A 47 -10.577 -0.932 -5.124 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.478 0.369 -6.735 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.267 -0.328 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.224 1.065 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.127 -0.326 -4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.466 1.298 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.381 2.095 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.732 2.385 -5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.887 1.475 -4.055 1.00 0.00 H new ATOM 726 N TYR A 48 -7.350 -1.798 -7.134 1.00 0.00 N ATOM 727 CA TYR A 48 -6.693 -3.066 -7.447 1.00 0.00 C ATOM 728 C TYR A 48 -5.303 -3.100 -6.817 1.00 0.00 C ATOM 729 O TYR A 48 -4.464 -2.243 -7.108 1.00 0.00 O ATOM 730 CB TYR A 48 -6.576 -3.265 -8.971 1.00 0.00 C ATOM 731 CG TYR A 48 -7.862 -3.660 -9.697 1.00 0.00 C ATOM 732 CD1 TYR A 48 -9.077 -3.016 -9.464 1.00 0.00 C ATOM 733 CD2 TYR A 48 -7.843 -4.684 -10.637 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.223 -3.385 -10.142 1.00 0.00 C ATOM 735 CE2 TYR A 48 -8.986 -5.054 -11.320 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.171 -4.403 -11.069 1.00 0.00 C ATOM 737 OH TYR A 48 -11.311 -4.769 -11.747 1.00 0.00 O ATOM 0 H TYR A 48 -7.144 -1.048 -7.794 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.299 -3.874 -7.038 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.204 -2.340 -9.411 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.825 -4.032 -9.160 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.123 -2.215 -8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.916 -5.201 -10.838 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.156 -2.877 -9.946 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.949 -5.851 -12.048 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.103 -5.501 -12.365 1.00 0.00 H new ATOM 747 N VAL A 49 -5.068 -4.088 -5.953 1.00 0.00 N ATOM 748 CA VAL A 49 -3.776 -4.234 -5.279 1.00 0.00 C ATOM 749 C VAL A 49 -2.822 -5.055 -6.144 1.00 0.00 C ATOM 750 O VAL A 49 -3.146 -6.174 -6.539 1.00 0.00 O ATOM 751 CB VAL A 49 -3.927 -4.906 -3.891 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.600 -4.922 -3.141 1.00 0.00 C ATOM 753 CG2 VAL A 49 -4.996 -4.203 -3.063 1.00 0.00 C ATOM 0 H VAL A 49 -5.755 -4.799 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.369 -3.234 -5.129 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.238 -5.938 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.736 -5.399 -2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.862 -5.479 -3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.251 -3.899 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.085 -4.692 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.717 -3.159 -2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.952 -4.255 -3.584 1.00 0.00 H new ATOM 763 N PHE A 50 -1.653 -4.483 -6.439 1.00 0.00 N ATOM 764 CA PHE A 50 -0.651 -5.156 -7.265 1.00 0.00 C ATOM 765 C PHE A 50 0.496 -5.712 -6.425 1.00 0.00 C ATOM 766 O PHE A 50 1.098 -6.725 -6.789 1.00 0.00 O ATOM 767 CB PHE A 50 -0.089 -4.199 -8.328 1.00 0.00 C ATOM 768 CG PHE A 50 -1.031 -3.900 -9.469 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.111 -3.042 -9.306 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.831 -4.484 -10.711 1.00 0.00 C ATOM 771 CE1 PHE A 50 -2.968 -2.774 -10.357 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.686 -4.219 -11.764 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.755 -3.363 -11.587 1.00 0.00 C ATOM 0 H PHE A 50 -1.378 -3.555 -6.118 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.152 -5.990 -7.756 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.184 -3.261 -7.845 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.828 -4.627 -8.734 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.283 -2.578 -8.346 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.003 -5.154 -10.857 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.803 -2.104 -10.216 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.518 -4.681 -12.725 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.423 -3.155 -12.410 1.00 0.00 H new ATOM 783 N SER A 51 0.808 -5.041 -5.310 1.00 0.00 N ATOM 784 CA SER A 51 1.902 -5.474 -4.435 1.00 0.00 C ATOM 785 C SER A 51 1.597 -5.226 -2.963 1.00 0.00 C ATOM 786 O SER A 51 0.900 -4.274 -2.613 1.00 0.00 O ATOM 787 CB SER A 51 3.193 -4.743 -4.807 1.00 0.00 C ATOM 788 OG SER A 51 3.031 -3.338 -4.716 1.00 0.00 O ATOM 0 H SER A 51 0.322 -4.202 -4.994 1.00 0.00 H new ATOM 0 HA SER A 51 2.019 -6.548 -4.580 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.998 -5.062 -4.146 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.487 -5.013 -5.821 1.00 0.00 H new ATOM 0 HG SER A 51 3.871 -2.895 -4.957 1.00 0.00 H new ATOM 794 N LYS A 52 2.156 -6.087 -2.105 1.00 0.00 N ATOM 795 CA LYS A 52 1.987 -5.971 -0.656 1.00 0.00 C ATOM 796 C LYS A 52 3.359 -5.918 0.010 1.00 0.00 C ATOM 797 O LYS A 52 4.118 -6.888 -0.047 1.00 0.00 O ATOM 798 CB LYS A 52 1.177 -7.149 -0.089 1.00 0.00 C ATOM 799 CG LYS A 52 -0.128 -7.419 -0.823 1.00 0.00 C ATOM 800 CD LYS A 52 -0.903 -8.559 -0.181 1.00 0.00 C ATOM 801 CE LYS A 52 -2.179 -8.868 -0.948 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.934 -9.997 -0.337 1.00 0.00 N ATOM 0 H LYS A 52 2.733 -6.877 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 52 1.435 -5.055 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.792 -8.048 -0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.957 -6.952 0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.740 -6.517 -0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.083 -7.662 -1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.276 -9.450 -0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.150 -8.298 0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.811 -7.980 -0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.932 -9.113 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.071 -10.746 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.398 -10.377 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.860 -9.657 -0.008 1.00 0.00 H new ATOM 816 N LEU A 53 3.683 -4.778 0.628 1.00 0.00 N ATOM 817 CA LEU A 53 4.979 -4.600 1.286 1.00 0.00 C ATOM 818 C LEU A 53 5.046 -5.402 2.582 1.00 0.00 C ATOM 819 O LEU A 53 4.021 -5.621 3.227 1.00 0.00 O ATOM 820 CB LEU A 53 5.223 -3.115 1.580 1.00 0.00 C ATOM 821 CG LEU A 53 5.110 -2.169 0.374 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.028 -0.724 0.841 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.281 -2.357 -0.584 1.00 0.00 C ATOM 0 H LEU A 53 3.067 -3.967 0.686 1.00 0.00 H new ATOM 0 HA LEU A 53 5.755 -4.965 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.511 -2.792 2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.219 -3.008 2.010 1.00 0.00 H new ATOM 0 HG LEU A 53 4.195 -2.415 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.948 -0.066 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.151 -0.596 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.925 -0.473 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.174 -1.675 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.215 -2.146 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.292 -3.384 -0.948 1.00 0.00 H new ATOM 835 N LYS A 54 6.256 -5.839 2.958 1.00 0.00 N ATOM 836 CA LYS A 54 6.442 -6.616 4.192 1.00 0.00 C ATOM 837 C LYS A 54 7.593 -6.089 5.044 1.00 0.00 C ATOM 838 O LYS A 54 7.471 -6.013 6.269 1.00 0.00 O ATOM 839 CB LYS A 54 6.672 -8.097 3.888 1.00 0.00 C ATOM 840 CG LYS A 54 5.386 -8.891 3.705 1.00 0.00 C ATOM 841 CD LYS A 54 5.646 -10.394 3.649 1.00 0.00 C ATOM 842 CE LYS A 54 6.180 -10.940 4.968 1.00 0.00 C ATOM 843 NZ LYS A 54 6.428 -12.406 4.903 1.00 0.00 N ATOM 0 H LYS A 54 7.113 -5.670 2.431 1.00 0.00 H new ATOM 0 HA LYS A 54 5.519 -6.504 4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.274 -8.184 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.250 -8.540 4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.704 -8.671 4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.892 -8.574 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.721 -10.911 3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.361 -10.607 2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.106 -10.426 5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.466 -10.728 5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.790 -12.738 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.539 -12.899 4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.128 -12.607 4.161 1.00 0.00 H new ATOM 857 N GLY A 55 8.706 -5.740 4.392 1.00 0.00 N ATOM 858 CA GLY A 55 9.878 -5.234 5.101 1.00 0.00 C ATOM 859 C GLY A 55 9.611 -3.931 5.837 1.00 0.00 C ATOM 860 O GLY A 55 9.596 -2.864 5.225 1.00 0.00 O ATOM 0 H GLY A 55 8.817 -5.799 3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.216 -5.985 5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.689 -5.083 4.389 1.00 0.00 H new ATOM 864 N ARG A 56 9.402 -4.037 7.162 1.00 0.00 N ATOM 865 CA ARG A 56 9.129 -2.883 8.040 1.00 0.00 C ATOM 866 C ARG A 56 7.875 -2.104 7.612 1.00 0.00 C ATOM 867 O ARG A 56 7.690 -0.945 8.001 1.00 0.00 O ATOM 868 CB ARG A 56 10.347 -1.955 8.107 1.00 0.00 C ATOM 869 CG ARG A 56 11.576 -2.621 8.704 1.00 0.00 C ATOM 870 CD ARG A 56 12.787 -1.707 8.639 1.00 0.00 C ATOM 871 NE ARG A 56 13.985 -2.315 9.230 1.00 0.00 N ATOM 872 CZ ARG A 56 14.680 -3.323 8.685 1.00 0.00 C ATOM 873 NH1 ARG A 56 14.340 -3.833 7.504 1.00 0.00 N ATOM 874 NH2 ARG A 56 15.733 -3.813 9.324 1.00 0.00 N ATOM 0 H ARG A 56 9.418 -4.929 7.656 1.00 0.00 H new ATOM 0 HA ARG A 56 8.932 -3.279 9.036 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.584 -1.604 7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.094 -1.076 8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.378 -2.892 9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.787 -3.546 8.168 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.989 -1.451 7.599 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.563 -0.775 9.159 1.00 0.00 H new ATOM 0 HE ARG A 56 14.313 -1.943 10.121 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.538 -3.457 6.998 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.881 -4.600 7.105 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.010 -3.423 10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.266 -4.580 8.915 1.00 0.00 H new ATOM 888 N GLY A 57 7.016 -2.751 6.819 1.00 0.00 N ATOM 889 CA GLY A 57 5.789 -2.122 6.354 1.00 0.00 C ATOM 890 C GLY A 57 4.774 -3.137 5.868 1.00 0.00 C ATOM 891 O GLY A 57 4.234 -3.005 4.767 1.00 0.00 O ATOM 0 H GLY A 57 7.152 -3.707 6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.354 -1.535 7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.022 -1.428 5.546 1.00 0.00 H new ATOM 895 N ARG A 58 4.524 -4.157 6.693 1.00 0.00 N ATOM 896 CA ARG A 58 3.575 -5.225 6.359 1.00 0.00 C ATOM 897 C ARG A 58 2.129 -4.728 6.338 1.00 0.00 C ATOM 898 O ARG A 58 1.264 -5.352 5.718 1.00 0.00 O ATOM 899 CB ARG A 58 3.720 -6.394 7.333 1.00 0.00 C ATOM 900 CG ARG A 58 3.541 -6.019 8.787 1.00 0.00 C ATOM 901 CD ARG A 58 3.689 -7.231 9.680 1.00 0.00 C ATOM 902 NE ARG A 58 3.559 -6.894 11.098 1.00 0.00 N ATOM 903 CZ ARG A 58 3.652 -7.780 12.095 1.00 0.00 C ATOM 904 NH1 ARG A 58 3.877 -9.068 11.848 1.00 0.00 N ATOM 905 NH2 ARG A 58 3.520 -7.372 13.350 1.00 0.00 N ATOM 0 H ARG A 58 4.969 -4.267 7.604 1.00 0.00 H new ATOM 0 HA ARG A 58 3.816 -5.566 5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.988 -7.160 7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.706 -6.839 7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.277 -5.265 9.065 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.557 -5.573 8.933 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.934 -7.970 9.414 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.661 -7.692 9.506 1.00 0.00 H new ATOM 0 HE ARG A 58 3.386 -5.919 11.342 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.981 -9.392 10.887 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.945 -9.731 12.620 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.348 -6.387 13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.590 -8.043 14.115 1.00 0.00 H new ATOM 919 N LEU A 59 1.877 -3.605 7.010 1.00 0.00 N ATOM 920 CA LEU A 59 0.540 -3.020 7.060 1.00 0.00 C ATOM 921 C LEU A 59 0.360 -1.990 5.945 1.00 0.00 C ATOM 922 O LEU A 59 -0.606 -1.220 5.944 1.00 0.00 O ATOM 923 CB LEU A 59 0.294 -2.370 8.431 1.00 0.00 C ATOM 924 CG LEU A 59 0.355 -3.320 9.637 1.00 0.00 C ATOM 925 CD1 LEU A 59 0.397 -2.526 10.934 1.00 0.00 C ATOM 926 CD2 LEU A 59 -0.826 -4.284 9.637 1.00 0.00 C ATOM 0 H LEU A 59 2.584 -3.082 7.528 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.190 -3.816 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.031 -1.580 8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.686 -1.893 8.416 1.00 0.00 H new ATOM 0 HG LEU A 59 1.268 -3.910 9.558 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.440 -3.212 11.780 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.280 -1.886 10.941 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.498 -1.909 11.012 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.757 -4.944 10.502 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.757 -3.719 9.686 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.810 -4.879 8.724 1.00 0.00 H new ATOM 938 N PHE A 60 1.302 -1.983 4.994 1.00 0.00 N ATOM 939 CA PHE A 60 1.260 -1.051 3.870 1.00 0.00 C ATOM 940 C PHE A 60 1.240 -1.798 2.538 1.00 0.00 C ATOM 941 O PHE A 60 2.105 -2.638 2.262 1.00 0.00 O ATOM 942 CB PHE A 60 2.451 -0.081 3.912 1.00 0.00 C ATOM 943 CG PHE A 60 2.432 0.880 5.077 1.00 0.00 C ATOM 944 CD1 PHE A 60 2.925 0.506 6.320 1.00 0.00 C ATOM 945 CD2 PHE A 60 1.933 2.165 4.919 1.00 0.00 C ATOM 946 CE1 PHE A 60 2.914 1.393 7.381 1.00 0.00 C ATOM 947 CE2 PHE A 60 1.922 3.054 5.978 1.00 0.00 C ATOM 948 CZ PHE A 60 2.412 2.667 7.209 1.00 0.00 C ATOM 0 H PHE A 60 2.102 -2.615 4.984 1.00 0.00 H new ATOM 0 HA PHE A 60 0.340 -0.474 3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.374 -0.660 3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.471 0.492 2.985 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.322 -0.489 6.460 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.549 2.474 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.298 1.089 8.344 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.530 4.051 5.842 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.403 3.361 8.037 1.00 0.00 H new ATOM 958 N TRP A 61 0.239 -1.481 1.720 1.00 0.00 N ATOM 959 CA TRP A 61 0.077 -2.107 0.412 1.00 0.00 C ATOM 960 C TRP A 61 0.278 -1.082 -0.704 1.00 0.00 C ATOM 961 O TRP A 61 0.620 0.071 -0.435 1.00 0.00 O ATOM 962 CB TRP A 61 -1.315 -2.758 0.308 1.00 0.00 C ATOM 963 CG TRP A 61 -1.504 -3.999 1.157 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.536 -4.740 1.785 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.751 -4.634 1.478 1.00 0.00 C ATOM 966 NE1 TRP A 61 -1.100 -5.796 2.450 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.457 -5.751 2.286 1.00 0.00 C ATOM 968 CE3 TRP A 61 -4.088 -4.372 1.160 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.445 -6.597 2.778 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -5.068 -5.214 1.650 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.742 -6.314 2.452 1.00 0.00 C ATOM 0 H TRP A 61 -0.476 -0.789 1.943 1.00 0.00 H new ATOM 0 HA TRP A 61 0.835 -2.883 0.299 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.067 -2.022 0.594 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.502 -3.017 -0.734 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.521 -4.522 1.759 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.590 -6.502 2.982 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.350 -3.526 0.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.196 -7.447 3.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -6.103 -5.020 1.410 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.531 -6.952 2.821 1.00 0.00 H new ATOM 982 N GLY A 62 0.074 -1.511 -1.952 1.00 0.00 N ATOM 983 CA GLY A 62 0.245 -0.622 -3.088 1.00 0.00 C ATOM 984 C GLY A 62 -0.475 -1.115 -4.328 1.00 0.00 C ATOM 985 O GLY A 62 -0.645 -2.322 -4.512 1.00 0.00 O ATOM 0 H GLY A 62 -0.207 -2.461 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.125 0.370 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.308 -0.518 -3.307 1.00 0.00 H new ATOM 989 N GLY A 63 -0.896 -0.173 -5.174 1.00 0.00 N ATOM 990 CA GLY A 63 -1.599 -0.514 -6.399 1.00 0.00 C ATOM 991 C GLY A 63 -2.086 0.713 -7.148 1.00 0.00 C ATOM 992 O GLY A 63 -1.468 1.780 -7.070 1.00 0.00 O ATOM 0 H GLY A 63 -0.760 0.827 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.938 -1.092 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.450 -1.152 -6.161 1.00 0.00 H new ATOM 996 N SER A 64 -3.196 0.556 -7.872 1.00 0.00 N ATOM 997 CA SER A 64 -3.783 1.651 -8.645 1.00 0.00 C ATOM 998 C SER A 64 -5.306 1.622 -8.555 1.00 0.00 C ATOM 999 O SER A 64 -5.909 0.551 -8.482 1.00 0.00 O ATOM 1000 CB SER A 64 -3.347 1.567 -10.110 1.00 0.00 C ATOM 1001 OG SER A 64 -3.870 2.647 -10.862 1.00 0.00 O ATOM 0 H SER A 64 -3.708 -0.324 -7.939 1.00 0.00 H new ATOM 0 HA SER A 64 -3.426 2.590 -8.223 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.259 1.572 -10.169 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.685 0.624 -10.539 1.00 0.00 H new ATOM 0 HG SER A 64 -4.433 2.300 -11.585 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.917 2.809 -8.560 1.00 0.00 N ATOM 1008 CA VAL A 65 -7.371 2.933 -8.478 1.00 0.00 C ATOM 1009 C VAL A 65 -8.011 2.808 -9.858 1.00 0.00 C ATOM 1010 O VAL A 65 -7.642 3.530 -10.788 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.789 4.290 -7.848 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -9.310 4.440 -7.799 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.199 4.437 -6.455 1.00 0.00 C ATOM 0 H VAL A 65 -5.424 3.700 -8.620 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.723 2.121 -7.841 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.395 5.083 -8.483 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.567 5.401 -7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.713 4.391 -8.810 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.736 3.636 -7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.503 5.394 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.559 3.627 -5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.111 4.396 -6.514 1.00 0.00 H new ATOM 1023 N GLN A 66 -8.987 1.904 -9.972 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.701 1.703 -11.224 1.00 0.00 C ATOM 1025 C GLN A 66 -10.663 2.874 -11.453 1.00 0.00 C ATOM 1026 O GLN A 66 -10.344 3.771 -12.231 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.445 0.355 -11.222 1.00 0.00 C ATOM 1028 CG GLN A 66 -11.239 0.091 -12.494 1.00 0.00 C ATOM 1029 CD GLN A 66 -11.927 -1.261 -12.495 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -12.745 -1.556 -11.622 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -11.602 -2.088 -13.479 1.00 0.00 N ATOM 0 H GLN A 66 -9.297 1.302 -9.209 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.985 1.672 -12.046 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.722 -0.449 -11.083 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.123 0.326 -10.369 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.988 0.873 -12.617 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.570 0.152 -13.352 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.919 -1.802 -14.181 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.035 -3.010 -13.534 1.00 0.00 H new ATOM 1139 N ALA A 74 -4.504 5.022 -14.244 1.00 0.00 N ATOM 1140 CA ALA A 74 -3.727 3.798 -14.051 1.00 0.00 C ATOM 1141 C ALA A 74 -2.384 3.889 -14.780 1.00 0.00 C ATOM 1142 O ALA A 74 -1.886 2.902 -15.331 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.523 2.583 -14.513 1.00 0.00 C ATOM 0 HA ALA A 74 -3.521 3.682 -12.987 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.930 1.681 -14.362 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.445 2.512 -13.936 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.764 2.687 -15.571 1.00 0.00 H new ATOM 1149 N ALA A 75 -1.808 5.092 -14.770 1.00 0.00 N ATOM 1150 CA ALA A 75 -0.526 5.351 -15.418 1.00 0.00 C ATOM 1151 C ALA A 75 0.629 5.257 -14.428 1.00 0.00 C ATOM 1152 O ALA A 75 1.795 5.196 -14.829 1.00 0.00 O ATOM 1153 CB ALA A 75 -0.540 6.727 -16.062 1.00 0.00 C ATOM 0 H ALA A 75 -2.216 5.909 -14.315 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.378 4.589 -16.183 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.420 6.913 -16.544 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.334 6.772 -16.807 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.716 7.484 -15.298 1.00 0.00 H new ATOM 1159 N ARG A 76 0.299 5.256 -13.135 1.00 0.00 N ATOM 1160 CA ARG A 76 1.310 5.183 -12.084 1.00 0.00 C ATOM 1161 C ARG A 76 0.829 4.322 -10.916 1.00 0.00 C ATOM 1162 O ARG A 76 -0.365 4.040 -10.790 1.00 0.00 O ATOM 1163 CB ARG A 76 1.699 6.596 -11.592 1.00 0.00 C ATOM 1164 CG ARG A 76 0.609 7.358 -10.828 1.00 0.00 C ATOM 1165 CD ARG A 76 -0.461 7.949 -11.745 1.00 0.00 C ATOM 1166 NE ARG A 76 -1.388 8.833 -11.028 1.00 0.00 N ATOM 1167 CZ ARG A 76 -2.322 8.419 -10.160 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -2.501 7.125 -9.909 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -3.089 9.311 -9.549 1.00 0.00 N ATOM 0 H ARG A 76 -0.661 5.305 -12.793 1.00 0.00 H new ATOM 0 HA ARG A 76 2.197 4.713 -12.509 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.574 6.508 -10.948 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.996 7.192 -12.455 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.136 6.685 -10.113 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.070 8.161 -10.252 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.021 8.507 -12.548 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.023 7.140 -12.212 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.316 9.835 -11.203 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.923 6.429 -10.380 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.217 6.828 -9.245 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.967 10.305 -9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.802 9.003 -8.887 1.00 0.00 H new ATOM 1183 N LEU A 77 1.775 3.910 -10.072 1.00 0.00 N ATOM 1184 CA LEU A 77 1.473 3.078 -8.910 1.00 0.00 C ATOM 1185 C LEU A 77 1.864 3.786 -7.616 1.00 0.00 C ATOM 1186 O LEU A 77 2.996 4.255 -7.471 1.00 0.00 O ATOM 1187 CB LEU A 77 2.202 1.733 -9.020 1.00 0.00 C ATOM 1188 CG LEU A 77 1.701 0.809 -10.139 1.00 0.00 C ATOM 1189 CD1 LEU A 77 2.729 -0.268 -10.442 1.00 0.00 C ATOM 1190 CD2 LEU A 77 0.372 0.172 -9.753 1.00 0.00 C ATOM 0 H LEU A 77 2.763 4.142 -10.174 1.00 0.00 H new ATOM 0 HA LEU A 77 0.398 2.899 -8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.264 1.925 -9.177 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.110 1.209 -8.069 1.00 0.00 H new ATOM 0 HG LEU A 77 1.551 1.410 -11.036 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.356 -0.913 -11.238 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.662 0.198 -10.760 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.908 -0.863 -9.546 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.033 -0.479 -10.559 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.500 -0.413 -8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.369 0.952 -9.581 1.00 0.00 H new ATOM 1202 N GLY A 78 0.914 3.855 -6.681 1.00 0.00 N ATOM 1203 CA GLY A 78 1.159 4.502 -5.400 1.00 0.00 C ATOM 1204 C GLY A 78 0.882 3.578 -4.233 1.00 0.00 C ATOM 1205 O GLY A 78 0.347 2.486 -4.423 1.00 0.00 O ATOM 0 H GLY A 78 -0.025 3.472 -6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.195 4.839 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.531 5.389 -5.316 1.00 0.00 H new ATOM 1209 N TYR A 79 1.248 4.011 -3.024 1.00 0.00 N ATOM 1210 CA TYR A 79 1.032 3.199 -1.826 1.00 0.00 C ATOM 1211 C TYR A 79 -0.109 3.754 -0.980 1.00 0.00 C ATOM 1212 O TYR A 79 -0.429 4.945 -1.049 1.00 0.00 O ATOM 1213 CB TYR A 79 2.317 3.111 -0.987 1.00 0.00 C ATOM 1214 CG TYR A 79 3.531 2.568 -1.731 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.450 1.448 -2.559 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.765 3.186 -1.596 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.560 0.969 -3.226 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.881 2.715 -2.258 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.774 1.606 -3.073 1.00 0.00 C ATOM 1220 OH TYR A 79 6.884 1.133 -3.735 1.00 0.00 O ATOM 0 H TYR A 79 1.692 4.913 -2.850 1.00 0.00 H new ATOM 0 HA TYR A 79 0.758 2.196 -2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.555 4.105 -0.608 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.126 2.477 -0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.501 0.946 -2.680 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.855 4.054 -0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.478 0.101 -3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.833 3.211 -2.139 1.00 0.00 H new ATOM 0 HH TYR A 79 7.657 1.695 -3.520 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.723 2.868 -0.189 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.844 3.227 0.678 1.00 0.00 C ATOM 1232 C PHE A 80 -1.917 2.280 1.892 1.00 0.00 C ATOM 1233 O PHE A 80 -1.447 1.143 1.805 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.166 3.198 -0.124 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.451 1.903 -0.857 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -4.051 0.828 -0.211 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.118 1.766 -2.197 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.311 -0.349 -0.885 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.376 0.590 -2.874 1.00 0.00 C ATOM 1240 CZ PHE A 80 -3.972 -0.468 -2.218 1.00 0.00 C ATOM 0 H PHE A 80 -0.456 1.885 -0.134 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.688 4.239 1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.991 3.398 0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.149 4.011 -0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.317 0.915 0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.651 2.589 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.779 -1.175 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.111 0.498 -3.917 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.173 -1.388 -2.747 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.508 2.718 3.046 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.621 1.867 4.238 1.00 0.00 C ATOM 1252 C PRO A 81 -3.674 0.777 4.057 1.00 0.00 C ATOM 1253 O PRO A 81 -4.772 1.044 3.569 1.00 0.00 O ATOM 1254 CB PRO A 81 -3.043 2.837 5.356 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.929 4.208 4.771 1.00 0.00 C ATOM 1256 CD PRO A 81 -3.107 4.044 3.292 1.00 0.00 C ATOM 0 HA PRO A 81 -1.688 1.346 4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.063 2.636 5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.400 2.730 6.230 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.688 4.872 5.184 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.960 4.650 5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.158 4.075 3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.599 4.829 2.732 1.00 0.00 H new ATOM 1264 N SER A 82 -3.331 -0.450 4.451 1.00 0.00 N ATOM 1265 CA SER A 82 -4.244 -1.591 4.330 1.00 0.00 C ATOM 1266 C SER A 82 -5.478 -1.417 5.221 1.00 0.00 C ATOM 1267 O SER A 82 -6.525 -2.023 4.972 1.00 0.00 O ATOM 1268 CB SER A 82 -3.512 -2.884 4.700 1.00 0.00 C ATOM 1269 OG SER A 82 -3.114 -2.877 6.060 1.00 0.00 O ATOM 0 H SER A 82 -2.425 -0.681 4.858 1.00 0.00 H new ATOM 0 HA SER A 82 -4.581 -1.645 3.295 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.162 -3.739 4.513 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.636 -3.004 4.063 1.00 0.00 H new ATOM 0 HG SER A 82 -2.288 -2.358 6.157 1.00 0.00 H new ATOM 1275 N SER A 83 -5.335 -0.590 6.259 1.00 0.00 N ATOM 1276 CA SER A 83 -6.410 -0.326 7.213 1.00 0.00 C ATOM 1277 C SER A 83 -7.599 0.416 6.587 1.00 0.00 C ATOM 1278 O SER A 83 -8.704 0.371 7.135 1.00 0.00 O ATOM 1279 CB SER A 83 -5.866 0.479 8.396 1.00 0.00 C ATOM 1280 OG SER A 83 -6.872 0.715 9.367 1.00 0.00 O ATOM 0 H SER A 83 -4.471 -0.086 6.460 1.00 0.00 H new ATOM 0 HA SER A 83 -6.780 -1.295 7.550 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.036 -0.059 8.853 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.471 1.431 8.040 1.00 0.00 H new ATOM 0 HG SER A 83 -7.753 0.692 8.938 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.384 1.102 5.456 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.478 1.842 4.815 1.00 0.00 C ATOM 1288 C ILE A 84 -9.202 1.008 3.756 1.00 0.00 C ATOM 1289 O ILE A 84 -10.211 1.455 3.210 1.00 0.00 O ATOM 1290 CB ILE A 84 -8.019 3.184 4.189 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -7.182 2.966 2.925 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.245 4.005 5.212 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.958 4.229 2.129 1.00 0.00 C ATOM 0 H ILE A 84 -6.486 1.160 4.976 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.174 2.067 5.623 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.912 3.736 3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.216 2.546 3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.678 2.230 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.928 4.945 4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.884 4.212 6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.368 3.446 5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.358 4.002 1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.919 4.638 1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.435 4.960 2.746 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.692 -0.194 3.458 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.325 -1.048 2.448 1.00 0.00 C ATOM 1307 C VAL A 85 -9.780 -2.383 3.031 1.00 0.00 C ATOM 1308 O VAL A 85 -9.405 -2.749 4.148 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.393 -1.320 1.236 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -7.949 -0.019 0.585 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -7.185 -2.163 1.639 1.00 0.00 C ATOM 0 H VAL A 85 -7.859 -0.590 3.893 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.197 -0.492 2.103 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.966 -1.888 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.297 -0.239 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.823 0.530 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.407 0.586 1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.554 -2.335 0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.613 -1.637 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.525 -3.120 2.035 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.583 -3.105 2.247 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.090 -4.410 2.648 1.00 0.00 C ATOM 1323 C ARG A 86 -11.097 -5.365 1.458 1.00 0.00 C ATOM 1324 O ARG A 86 -11.807 -5.138 0.469 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.493 -4.286 3.239 1.00 0.00 C ATOM 1326 CG ARG A 86 -13.010 -5.578 3.850 1.00 0.00 C ATOM 1327 CD ARG A 86 -14.210 -5.319 4.738 1.00 0.00 C ATOM 1328 NE ARG A 86 -15.355 -4.800 3.987 1.00 0.00 N ATOM 1329 CZ ARG A 86 -16.535 -4.488 4.532 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -16.745 -4.636 5.838 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -17.511 -4.022 3.765 1.00 0.00 N ATOM 0 H ARG A 86 -10.896 -2.801 1.325 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.430 -4.814 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.489 -3.508 4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.181 -3.962 2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.284 -6.275 3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.219 -6.051 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.496 -6.244 5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.936 -4.607 5.517 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.245 -4.668 2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.000 -4.992 6.437 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.651 -4.394 6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.360 -3.903 2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.413 -3.783 4.177 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.304 -6.434 1.570 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.207 -7.447 0.524 1.00 0.00 C ATOM 1347 C GLU A 87 -11.484 -8.277 0.468 1.00 0.00 C ATOM 1348 O GLU A 87 -11.973 -8.745 1.500 1.00 0.00 O ATOM 1349 CB GLU A 87 -9.009 -8.362 0.780 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.773 -8.018 -0.027 1.00 0.00 C ATOM 1351 CD GLU A 87 -6.675 -9.053 0.141 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -6.933 -10.244 -0.137 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -5.555 -8.676 0.538 1.00 0.00 O ATOM 0 H GLU A 87 -9.716 -6.618 2.383 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.071 -6.941 -0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.758 -8.323 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.298 -9.389 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.039 -7.940 -1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.400 -7.041 0.281 1.00 0.00 H new ATOM 1360 N ASP A 88 -12.023 -8.447 -0.738 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.250 -9.212 -0.928 1.00 0.00 C ATOM 1362 C ASP A 88 -13.038 -10.391 -1.868 1.00 0.00 C ATOM 1363 O ASP A 88 -13.596 -11.470 -1.648 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.361 -8.309 -1.470 1.00 0.00 C ATOM 1365 CG ASP A 88 -14.733 -7.201 -0.502 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -15.189 -7.517 0.618 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -14.568 -6.018 -0.864 1.00 0.00 O ATOM 0 H ASP A 88 -11.628 -8.065 -1.597 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.545 -9.605 0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.039 -7.869 -2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.243 -8.912 -1.683 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.244 -10.183 -2.924 1.00 0.00 N ATOM 1373 CA GLN A 89 -11.991 -11.250 -3.902 1.00 0.00 C ATOM 1374 C GLN A 89 -10.560 -11.196 -4.451 1.00 0.00 C ATOM 1375 O GLN A 89 -10.013 -10.117 -4.670 1.00 0.00 O ATOM 1376 CB GLN A 89 -13.005 -11.138 -5.050 1.00 0.00 C ATOM 1377 CG GLN A 89 -13.065 -12.357 -5.962 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.715 -12.028 -7.401 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.705 -12.705 -7.931 1.00 0.00 O flip ATOM 1380 NE2 GLN A 89 -13.351 -11.182 -8.031 1.00 0.00 N flip ATOM 0 H GLN A 89 -11.772 -9.301 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.107 -12.209 -3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.995 -10.967 -4.628 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.759 -10.262 -5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.379 -13.118 -5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.067 -12.785 -5.925 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.121 -10.685 -7.583 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.108 -10.979 -9.000 1.00 0.00 H new ATOM 1389 N THR A 90 -9.975 -12.380 -4.685 1.00 0.00 N ATOM 1390 CA THR A 90 -8.619 -12.496 -5.232 1.00 0.00 C ATOM 1391 C THR A 90 -8.696 -12.863 -6.715 1.00 0.00 C ATOM 1392 O THR A 90 -9.284 -13.885 -7.077 1.00 0.00 O ATOM 1393 CB THR A 90 -7.818 -13.555 -4.454 1.00 0.00 C ATOM 1394 OG1 THR A 90 -7.803 -13.253 -3.071 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.372 -13.696 -4.902 1.00 0.00 C ATOM 0 H THR A 90 -10.426 -13.276 -4.501 1.00 0.00 H new ATOM 0 HA THR A 90 -8.107 -11.539 -5.129 1.00 0.00 H new ATOM 0 HB THR A 90 -8.331 -14.495 -4.659 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.291 -13.938 -2.592 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.879 -14.462 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.343 -13.982 -5.953 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.856 -12.745 -4.771 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.114 -12.016 -7.564 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.135 -12.226 -9.014 1.00 0.00 C ATOM 1405 C LEU A 91 -6.982 -13.120 -9.461 1.00 0.00 C ATOM 1406 O LEU A 91 -7.115 -13.883 -10.422 1.00 0.00 O ATOM 1407 CB LEU A 91 -8.030 -10.873 -9.738 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.910 -9.742 -9.180 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.457 -8.402 -9.729 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.380 -9.976 -9.496 1.00 0.00 C ATOM 0 H LEU A 91 -7.619 -11.173 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.075 -12.716 -9.267 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.990 -10.547 -9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.287 -11.023 -10.787 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.799 -9.735 -8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.089 -7.611 -9.325 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.421 -8.222 -9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.535 -8.409 -10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.975 -9.159 -9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.517 -10.020 -10.576 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.703 -10.917 -9.051 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.858 -13.017 -8.755 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.666 -13.810 -9.063 1.00 0.00 C ATOM 1424 C LYS A 92 -3.814 -14.003 -7.792 1.00 0.00 C ATOM 1425 O LYS A 92 -3.562 -13.037 -7.077 1.00 0.00 O ATOM 1426 CB LYS A 92 -3.844 -13.120 -10.171 1.00 0.00 C ATOM 1427 CG LYS A 92 -2.667 -13.951 -10.696 1.00 0.00 C ATOM 1428 CD LYS A 92 -2.913 -14.533 -12.093 1.00 0.00 C ATOM 1429 CE LYS A 92 -4.003 -15.600 -12.109 1.00 0.00 C ATOM 1430 NZ LYS A 92 -4.225 -16.148 -13.476 1.00 0.00 N ATOM 0 H LYS A 92 -5.746 -12.388 -7.960 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.974 -14.792 -9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.506 -12.883 -11.004 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.463 -12.173 -9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.773 -13.327 -10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.467 -14.766 -10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.190 -13.727 -12.773 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.985 -14.963 -12.470 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.728 -16.410 -11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.933 -15.174 -11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.973 -16.870 -13.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.513 -15.380 -14.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.345 -16.578 -13.825 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.370 -15.257 -7.475 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.562 -15.543 -6.270 1.00 0.00 C ATOM 1446 C PRO A 93 -1.240 -14.780 -6.217 1.00 0.00 C ATOM 1447 O PRO A 93 -0.416 -14.877 -7.131 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.291 -17.046 -6.386 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.413 -17.559 -7.201 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.623 -16.503 -8.234 1.00 0.00 C ATOM 0 HA PRO A 93 -3.087 -15.238 -5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.331 -17.241 -6.864 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.262 -17.522 -5.406 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.169 -18.519 -7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.308 -17.710 -6.597 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.936 -16.614 -9.073 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.633 -16.531 -8.643 1.00 0.00 H new ATOM 1458 N GLY A 94 -1.042 -14.044 -5.121 1.00 0.00 N ATOM 1459 CA GLY A 94 0.186 -13.290 -4.926 1.00 0.00 C ATOM 1460 C GLY A 94 1.141 -14.047 -4.032 1.00 0.00 C ATOM 1461 O GLY A 94 1.072 -13.940 -2.805 1.00 0.00 O ATOM 0 H GLY A 94 -1.717 -13.958 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.657 -13.097 -5.890 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.043 -12.320 -4.484 1.00 0.00 H new ATOM 1465 N LYS A 95 2.008 -14.842 -4.653 1.00 0.00 N ATOM 1466 CA LYS A 95 2.965 -15.668 -3.917 1.00 0.00 C ATOM 1467 C LYS A 95 4.405 -15.500 -4.422 1.00 0.00 C ATOM 1468 O LYS A 95 5.238 -16.396 -4.248 1.00 0.00 O ATOM 1469 CB LYS A 95 2.528 -17.138 -3.983 1.00 0.00 C ATOM 1470 CG LYS A 95 2.012 -17.556 -5.350 1.00 0.00 C ATOM 1471 CD LYS A 95 1.566 -19.007 -5.364 1.00 0.00 C ATOM 1472 CE LYS A 95 1.116 -19.435 -6.753 1.00 0.00 C ATOM 1473 NZ LYS A 95 0.675 -20.857 -6.780 1.00 0.00 N ATOM 0 H LYS A 95 2.069 -14.933 -5.667 1.00 0.00 H new ATOM 0 HA LYS A 95 2.966 -15.332 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.372 -17.772 -3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.749 -17.311 -3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.177 -16.916 -5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.794 -17.409 -6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.386 -19.645 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.749 -19.145 -4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.298 -18.795 -7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.935 -19.295 -7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.376 -21.110 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.463 -21.470 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.123 -20.986 -6.125 1.00 0.00 H new ATOM 1487 N VAL A 96 4.699 -14.343 -5.025 1.00 0.00 N ATOM 1488 CA VAL A 96 6.046 -14.056 -5.530 1.00 0.00 C ATOM 1489 C VAL A 96 6.631 -12.841 -4.806 1.00 0.00 C ATOM 1490 O VAL A 96 6.045 -11.761 -4.825 1.00 0.00 O ATOM 1491 CB VAL A 96 6.048 -13.812 -7.064 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.460 -13.554 -7.581 1.00 0.00 C ATOM 1493 CG2 VAL A 96 5.426 -14.995 -7.795 1.00 0.00 C ATOM 0 H VAL A 96 4.025 -13.592 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 96 6.665 -14.931 -5.333 1.00 0.00 H new ATOM 0 HB VAL A 96 5.448 -12.923 -7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.428 -13.387 -8.658 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.872 -12.673 -7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.090 -14.418 -7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.436 -14.806 -8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.999 -15.897 -7.580 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.397 -15.130 -7.460 1.00 0.00 H new ATOM 1503 N ASP A 97 7.781 -13.038 -4.158 1.00 0.00 N ATOM 1504 CA ASP A 97 8.446 -11.970 -3.406 1.00 0.00 C ATOM 1505 C ASP A 97 9.478 -11.234 -4.265 1.00 0.00 C ATOM 1506 O ASP A 97 10.573 -11.742 -4.522 1.00 0.00 O ATOM 1507 CB ASP A 97 9.116 -12.560 -2.156 1.00 0.00 C ATOM 1508 CG ASP A 97 9.656 -11.510 -1.190 1.00 0.00 C ATOM 1509 OD1 ASP A 97 9.425 -10.300 -1.412 1.00 0.00 O ATOM 1510 OD2 ASP A 97 10.305 -11.905 -0.197 1.00 0.00 O ATOM 0 H ASP A 97 8.273 -13.931 -4.139 1.00 0.00 H new ATOM 0 HA ASP A 97 7.691 -11.243 -3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.395 -13.186 -1.631 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.935 -13.209 -2.467 1.00 0.00 H new ATOM 1515 N VAL A 98 9.112 -10.022 -4.681 1.00 0.00 N ATOM 1516 CA VAL A 98 9.983 -9.166 -5.487 1.00 0.00 C ATOM 1517 C VAL A 98 10.524 -8.047 -4.582 1.00 0.00 C ATOM 1518 O VAL A 98 10.181 -8.001 -3.402 1.00 0.00 O ATOM 1519 CB VAL A 98 9.223 -8.556 -6.705 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.183 -8.235 -7.845 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.118 -9.488 -7.194 1.00 0.00 C ATOM 0 H VAL A 98 8.205 -9.606 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 98 10.801 -9.764 -5.889 1.00 0.00 H new ATOM 0 HB VAL A 98 8.762 -7.628 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.626 -7.811 -8.681 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.927 -7.516 -7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 98 10.683 -9.148 -8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.608 -9.033 -8.043 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.553 -10.440 -7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.402 -9.658 -6.389 1.00 0.00 H new ATOM 1531 N LYS A 99 11.366 -7.159 -5.115 1.00 0.00 N ATOM 1532 CA LYS A 99 11.930 -6.062 -4.318 1.00 0.00 C ATOM 1533 C LYS A 99 11.820 -4.730 -5.071 1.00 0.00 C ATOM 1534 O LYS A 99 11.558 -4.712 -6.276 1.00 0.00 O ATOM 1535 CB LYS A 99 13.400 -6.345 -3.947 1.00 0.00 C ATOM 1536 CG LYS A 99 14.356 -6.458 -5.132 1.00 0.00 C ATOM 1537 CD LYS A 99 14.352 -7.851 -5.753 1.00 0.00 C ATOM 1538 CE LYS A 99 15.316 -7.945 -6.927 1.00 0.00 C ATOM 1539 NZ LYS A 99 14.943 -7.020 -8.033 1.00 0.00 N ATOM 0 H LYS A 99 11.672 -7.175 -6.088 1.00 0.00 H new ATOM 0 HA LYS A 99 11.352 -5.990 -3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.752 -5.550 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.442 -7.272 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.079 -5.725 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.366 -6.212 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.625 -8.587 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.345 -8.097 -6.088 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.325 -7.714 -6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.333 -8.969 -7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.493 -7.256 -8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.928 -7.117 -8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.147 -6.040 -7.750 1.00 0.00 H new ATOM 1553 N THR A 100 12.026 -3.620 -4.352 1.00 0.00 N ATOM 1554 CA THR A 100 11.956 -2.282 -4.948 1.00 0.00 C ATOM 1555 C THR A 100 13.344 -1.815 -5.387 1.00 0.00 C ATOM 1556 O THR A 100 14.352 -2.443 -5.053 1.00 0.00 O ATOM 1557 CB THR A 100 11.356 -1.275 -3.958 1.00 0.00 C ATOM 1558 OG1 THR A 100 12.137 -1.206 -2.778 1.00 0.00 O ATOM 1559 CG2 THR A 100 9.935 -1.602 -3.547 1.00 0.00 C ATOM 0 H THR A 100 12.243 -3.623 -3.355 1.00 0.00 H new ATOM 0 HA THR A 100 11.309 -2.339 -5.824 1.00 0.00 H new ATOM 0 HB THR A 100 11.351 -0.323 -4.489 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.011 -2.024 -2.254 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.576 -0.848 -2.847 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.294 -1.612 -4.429 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.911 -2.582 -3.069 1.00 0.00 H new ATOM 1567 N ASP A 101 13.386 -0.708 -6.137 1.00 0.00 N ATOM 1568 CA ASP A 101 14.646 -0.150 -6.625 1.00 0.00 C ATOM 1569 C ASP A 101 14.811 1.312 -6.188 1.00 0.00 C ATOM 1570 O ASP A 101 13.996 1.832 -5.422 1.00 0.00 O ATOM 1571 CB ASP A 101 14.733 -0.292 -8.155 1.00 0.00 C ATOM 1572 CG ASP A 101 13.531 0.286 -8.881 1.00 0.00 C ATOM 1573 OD1 ASP A 101 13.354 1.520 -8.854 1.00 0.00 O ATOM 1574 OD2 ASP A 101 12.767 -0.500 -9.478 1.00 0.00 O ATOM 0 H ASP A 101 12.558 -0.182 -6.418 1.00 0.00 H new ATOM 0 HA ASP A 101 15.468 -0.713 -6.183 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.636 0.206 -8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 101 14.830 -1.347 -8.410 1.00 0.00 H new ATOM 1579 N LYS A 102 15.882 1.957 -6.667 1.00 0.00 N ATOM 1580 CA LYS A 102 16.188 3.345 -6.328 1.00 0.00 C ATOM 1581 C LYS A 102 15.180 4.326 -6.937 1.00 0.00 C ATOM 1582 O LYS A 102 14.833 5.333 -6.314 1.00 0.00 O ATOM 1583 CB LYS A 102 17.596 3.685 -6.816 1.00 0.00 C ATOM 1584 CG LYS A 102 18.075 5.064 -6.414 1.00 0.00 C ATOM 1585 CD LYS A 102 19.330 5.458 -7.170 1.00 0.00 C ATOM 1586 CE LYS A 102 19.185 6.838 -7.781 1.00 0.00 C ATOM 1587 NZ LYS A 102 20.410 7.253 -8.518 1.00 0.00 N ATOM 0 H LYS A 102 16.558 1.528 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 102 16.126 3.445 -5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 102 18.293 2.943 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.621 3.606 -7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.289 5.794 -6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 102 18.273 5.084 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 102 20.185 5.443 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.531 4.728 -7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.333 6.846 -8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.972 7.562 -6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 20.269 8.202 -8.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 21.219 7.271 -7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 20.599 6.577 -9.285 1.00 0.00 H new ATOM 1601 N TRP A 103 14.738 4.039 -8.162 1.00 0.00 N ATOM 1602 CA TRP A 103 13.798 4.911 -8.873 1.00 0.00 C ATOM 1603 C TRP A 103 12.338 4.554 -8.564 1.00 0.00 C ATOM 1604 O TRP A 103 11.504 4.441 -9.468 1.00 0.00 O ATOM 1605 CB TRP A 103 14.066 4.853 -10.388 1.00 0.00 C ATOM 1606 CG TRP A 103 15.502 5.120 -10.755 1.00 0.00 C ATOM 1607 CD1 TRP A 103 16.512 4.202 -10.829 1.00 0.00 C ATOM 1608 CD2 TRP A 103 16.091 6.388 -11.076 1.00 0.00 C ATOM 1609 NE1 TRP A 103 17.688 4.818 -11.179 1.00 0.00 N ATOM 1610 CE2 TRP A 103 17.456 6.159 -11.336 1.00 0.00 C ATOM 1611 CE3 TRP A 103 15.599 7.694 -11.172 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 18.332 7.184 -11.681 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 16.470 8.711 -11.516 1.00 0.00 C ATOM 1614 CH2 TRP A 103 17.823 8.451 -11.768 1.00 0.00 C ATOM 0 H TRP A 103 15.016 3.208 -8.685 1.00 0.00 H new ATOM 0 HA TRP A 103 13.959 5.930 -8.522 1.00 0.00 H new ATOM 0 HB2 TRP A 103 13.781 3.870 -10.762 1.00 0.00 H new ATOM 0 HB3 TRP A 103 13.430 5.582 -10.890 1.00 0.00 H new ATOM 0 HD1 TRP A 103 16.401 3.145 -10.639 1.00 0.00 H new ATOM 0 HE1 TRP A 103 18.588 4.353 -11.302 1.00 0.00 H new ATOM 0 HE3 TRP A 103 14.557 7.904 -10.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 19.376 6.986 -11.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 16.101 9.723 -11.592 1.00 0.00 H new ATOM 0 HH2 TRP A 103 18.478 9.267 -12.036 1.00 0.00 H new ATOM 1625 N ASP A 104 12.037 4.396 -7.272 1.00 0.00 N ATOM 1626 CA ASP A 104 10.686 4.070 -6.813 1.00 0.00 C ATOM 1627 C ASP A 104 10.217 5.062 -5.748 1.00 0.00 C ATOM 1628 O ASP A 104 9.016 5.180 -5.488 1.00 0.00 O ATOM 1629 CB ASP A 104 10.637 2.639 -6.255 1.00 0.00 C ATOM 1630 CG ASP A 104 10.545 1.570 -7.337 1.00 0.00 C ATOM 1631 OD1 ASP A 104 10.467 1.924 -8.534 1.00 0.00 O ATOM 1632 OD2 ASP A 104 10.541 0.373 -6.983 1.00 0.00 O ATOM 0 H ASP A 104 12.719 4.490 -6.520 1.00 0.00 H new ATOM 0 HA ASP A 104 10.015 4.139 -7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.528 2.461 -5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.779 2.546 -5.589 1.00 0.00 H new ATOM 1637 N PHE A 105 11.174 5.765 -5.134 1.00 0.00 N ATOM 1638 CA PHE A 105 10.869 6.747 -4.088 1.00 0.00 C ATOM 1639 C PHE A 105 11.431 8.124 -4.453 1.00 0.00 C ATOM 1640 O PHE A 105 11.044 9.138 -3.867 1.00 0.00 O ATOM 1641 CB PHE A 105 11.452 6.301 -2.733 1.00 0.00 C ATOM 1642 CG PHE A 105 11.094 4.892 -2.319 1.00 0.00 C ATOM 1643 CD1 PHE A 105 11.874 3.815 -2.723 1.00 0.00 C ATOM 1644 CD2 PHE A 105 9.982 4.647 -1.530 1.00 0.00 C ATOM 1645 CE1 PHE A 105 11.550 2.526 -2.346 1.00 0.00 C ATOM 1646 CE2 PHE A 105 9.654 3.357 -1.152 1.00 0.00 C ATOM 1647 CZ PHE A 105 10.439 2.297 -1.560 1.00 0.00 C ATOM 0 H PHE A 105 12.168 5.672 -5.344 1.00 0.00 H new ATOM 0 HA PHE A 105 9.784 6.815 -4.006 1.00 0.00 H new ATOM 0 HB2 PHE A 105 12.538 6.387 -2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 105 11.107 6.989 -1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 105 12.744 3.988 -3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.364 5.472 -1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 105 12.166 1.698 -2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.784 3.179 -0.538 1.00 0.00 H new ATOM 0 HZ PHE A 105 10.184 1.290 -1.264 1.00 0.00 H new ATOM 1657 N TYR A 106 12.350 8.141 -5.422 1.00 0.00 N ATOM 1658 CA TYR A 106 12.992 9.375 -5.882 1.00 0.00 C ATOM 1659 C TYR A 106 12.183 10.002 -7.025 1.00 0.00 C ATOM 1660 O TYR A 106 12.078 9.422 -8.109 1.00 0.00 O ATOM 1661 CB TYR A 106 14.430 9.041 -6.327 1.00 0.00 C ATOM 1662 CG TYR A 106 15.322 10.224 -6.679 1.00 0.00 C ATOM 1663 CD1 TYR A 106 15.414 11.350 -5.860 1.00 0.00 C ATOM 1664 CD2 TYR A 106 16.093 10.196 -7.835 1.00 0.00 C ATOM 1665 CE1 TYR A 106 16.242 12.405 -6.191 1.00 0.00 C ATOM 1666 CE2 TYR A 106 16.925 11.247 -8.167 1.00 0.00 C ATOM 1667 CZ TYR A 106 16.994 12.349 -7.344 1.00 0.00 C ATOM 1668 OH TYR A 106 17.822 13.398 -7.672 1.00 0.00 O ATOM 0 H TYR A 106 12.669 7.303 -5.908 1.00 0.00 H new ATOM 0 HA TYR A 106 13.029 10.105 -5.074 1.00 0.00 H new ATOM 0 HB2 TYR A 106 14.912 8.475 -5.529 1.00 0.00 H new ATOM 0 HB3 TYR A 106 14.375 8.384 -7.195 1.00 0.00 H new ATOM 0 HD1 TYR A 106 14.829 11.397 -4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 106 16.040 9.336 -8.486 1.00 0.00 H new ATOM 0 HE1 TYR A 106 16.300 13.271 -5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 106 17.519 11.205 -9.068 1.00 0.00 H new ATOM 0 HH TYR A 106 18.282 13.200 -8.514 1.00 0.00 H new