USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 802 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 69 THR OG1 : rot -59:sc= 0.939 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0.0421 USER MOD Set 2.1: A 19 SER OG : rot 95:sc= -0.96 USER MOD Set 2.2: A 40 MET CE :methyl -125:sc= -4.53 (180deg=-4.27!) USER MOD Single : A 10 MET CE :methyl -133:sc= -0.0894 (180deg=-0.498) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -0.387 F(o=-1,f=-0.39) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 23 TYR OH : rot 30:sc= -0.295 USER MOD Single : A 25 SER OG : rot 170:sc= 0.46 USER MOD Single : A 26 THR OG1 : rot -20:sc= 1.28 USER MOD Single : A 28 THR OG1 : rot -106:sc= 0.853 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= 0.382 (180deg=0.0472) USER MOD Single : A 47 GLN : amide:sc= -0.002 X(o=-0.002,f=-0.13) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= 0.0764 USER MOD Single : A 64 MET CE :methyl 161:sc= -0.495 (180deg=-0.851) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -6.47! C(o=-6.5!,f=-6.4!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 90 GLN : amide:sc= -2.43! C(o=-2.4!,f=-6.5!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -93:sc= 0.216 USER MOD Single : A 104 ASN : amide:sc= -2.99! C(o=-3!,f=-4.8!) USER MOD Single : A 107 THR OG1 : rot -155:sc= 0.338 USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 91 N PRO A 8 -10.285 -3.529 9.726 1.00 0.00 N ATOM 92 CA PRO A 8 -9.084 -4.327 10.055 1.00 0.00 C ATOM 93 C PRO A 8 -9.463 -5.617 10.789 1.00 0.00 C ATOM 94 O PRO A 8 -10.582 -5.773 11.247 1.00 0.00 O ATOM 95 CB PRO A 8 -8.244 -3.399 10.935 1.00 0.00 C ATOM 96 CG PRO A 8 -9.214 -2.347 11.511 1.00 0.00 C ATOM 97 CD PRO A 8 -10.424 -2.301 10.560 1.00 0.00 C ATOM 0 HA PRO A 8 -8.540 -4.651 9.168 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.758 -3.958 11.735 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.455 -2.922 10.354 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.524 -2.617 12.521 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.734 -1.371 11.575 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.364 -2.300 11.112 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.413 -1.400 9.946 1.00 0.00 H new ATOM 105 N GLY A 9 -8.528 -6.543 10.881 1.00 0.00 N ATOM 106 CA GLY A 9 -8.790 -7.851 11.557 1.00 0.00 C ATOM 107 C GLY A 9 -9.890 -8.625 10.802 1.00 0.00 C ATOM 108 O GLY A 9 -10.460 -9.562 11.335 1.00 0.00 O ATOM 0 H GLY A 9 -7.584 -6.440 10.509 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.875 -8.442 11.590 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.097 -7.681 12.589 1.00 0.00 H new ATOM 112 N MET A 10 -10.183 -8.236 9.570 1.00 0.00 N ATOM 113 CA MET A 10 -11.237 -8.931 8.760 1.00 0.00 C ATOM 114 C MET A 10 -10.757 -9.030 7.282 1.00 0.00 C ATOM 115 O MET A 10 -11.083 -8.173 6.476 1.00 0.00 O ATOM 116 CB MET A 10 -12.539 -8.120 8.836 1.00 0.00 C ATOM 117 CG MET A 10 -13.246 -8.412 10.162 1.00 0.00 C ATOM 118 SD MET A 10 -14.494 -9.700 9.912 1.00 0.00 S ATOM 119 CE MET A 10 -15.715 -8.673 9.058 1.00 0.00 C ATOM 0 H MET A 10 -9.728 -7.458 9.093 1.00 0.00 H new ATOM 0 HA MET A 10 -11.413 -9.934 9.149 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.322 -7.055 8.754 1.00 0.00 H new ATOM 0 HB3 MET A 10 -13.190 -8.378 8.000 1.00 0.00 H new ATOM 0 HG2 MET A 10 -12.521 -8.734 10.909 1.00 0.00 H new ATOM 0 HG3 MET A 10 -13.716 -7.505 10.543 1.00 0.00 H new ATOM 0 HE1 MET A 10 -16.701 -8.844 9.491 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.447 -7.622 9.168 1.00 0.00 H new ATOM 0 HE3 MET A 10 -15.733 -8.934 8.000 1.00 0.00 H new ATOM 129 N ALA A 11 -9.962 -10.053 6.931 1.00 0.00 N ATOM 130 CA ALA A 11 -9.420 -10.223 5.526 1.00 0.00 C ATOM 131 C ALA A 11 -8.114 -9.427 5.397 1.00 0.00 C ATOM 132 O ALA A 11 -7.075 -9.986 5.101 1.00 0.00 O ATOM 133 CB ALA A 11 -10.424 -9.760 4.455 1.00 0.00 C ATOM 0 H ALA A 11 -9.668 -10.784 7.579 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.239 -11.285 5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.991 -9.901 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.340 -10.346 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.654 -8.705 4.603 1.00 0.00 H new ATOM 139 N ILE A 12 -8.170 -8.136 5.649 1.00 0.00 N ATOM 140 CA ILE A 12 -6.958 -7.258 5.592 1.00 0.00 C ATOM 141 C ILE A 12 -6.356 -7.209 7.012 1.00 0.00 C ATOM 142 O ILE A 12 -6.953 -6.582 7.872 1.00 0.00 O ATOM 143 CB ILE A 12 -7.354 -5.842 5.157 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.047 -5.907 3.795 1.00 0.00 C ATOM 145 CG2 ILE A 12 -6.102 -4.968 5.042 1.00 0.00 C ATOM 146 CD1 ILE A 12 -8.798 -4.599 3.525 1.00 0.00 C ATOM 0 H ILE A 12 -9.029 -7.645 5.898 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.237 -7.651 4.874 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.030 -5.413 5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.310 -6.081 3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.742 -6.746 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.387 -3.963 4.733 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.601 -4.922 6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.426 -5.397 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.288 -4.655 2.553 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.547 -4.443 4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.093 -3.767 3.529 1.00 0.00 H new ATOM 158 N PRO A 13 -5.251 -7.912 7.269 1.00 0.00 N ATOM 159 CA PRO A 13 -4.681 -7.975 8.626 1.00 0.00 C ATOM 160 C PRO A 13 -3.964 -6.680 8.993 1.00 0.00 C ATOM 161 O PRO A 13 -3.754 -5.812 8.162 1.00 0.00 O ATOM 162 CB PRO A 13 -3.730 -9.167 8.584 1.00 0.00 C ATOM 163 CG PRO A 13 -3.389 -9.412 7.098 1.00 0.00 C ATOM 164 CD PRO A 13 -4.447 -8.660 6.264 1.00 0.00 C ATOM 0 HA PRO A 13 -5.446 -8.095 9.393 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.827 -8.962 9.159 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.195 -10.049 9.025 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.387 -9.050 6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.403 -10.478 6.869 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.980 -7.985 5.547 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.068 -9.351 5.694 1.00 0.00 H new ATOM 172 N HIS A 14 -3.610 -6.560 10.249 1.00 0.00 N ATOM 173 CA HIS A 14 -2.923 -5.353 10.756 1.00 0.00 C ATOM 174 C HIS A 14 -1.493 -5.304 10.169 1.00 0.00 C ATOM 175 O HIS A 14 -0.872 -6.337 9.986 1.00 0.00 O ATOM 176 CB HIS A 14 -2.872 -5.460 12.286 1.00 0.00 C ATOM 177 CG HIS A 14 -4.267 -5.624 12.862 1.00 0.00 C ATOM 178 ND1 HIS A 14 -5.135 -6.689 12.877 1.00 0.00 N flip ATOM 179 CD2 HIS A 14 -4.913 -4.610 13.564 1.00 0.00 C flip ATOM 180 CE1 HIS A 14 -6.293 -6.351 13.569 1.00 0.00 C flip ATOM 181 NE2 HIS A 14 -6.113 -5.090 13.965 1.00 0.00 N flip ATOM 0 H HIS A 14 -3.778 -7.275 10.957 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.448 -4.444 10.464 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.252 -6.309 12.575 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.405 -4.568 12.702 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.956 -7.595 12.444 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.526 -3.620 13.754 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.155 -6.977 13.748 1.00 0.00 H new ATOM 189 N ASN A 15 -0.971 -4.119 9.866 1.00 0.00 N ATOM 190 CA ASN A 15 0.412 -3.991 9.286 1.00 0.00 C ATOM 191 C ASN A 15 0.462 -4.625 7.864 1.00 0.00 C ATOM 192 O ASN A 15 1.273 -5.503 7.608 1.00 0.00 O ATOM 193 CB ASN A 15 1.421 -4.682 10.224 1.00 0.00 C ATOM 194 CG ASN A 15 2.767 -3.950 10.181 1.00 0.00 C ATOM 195 OD1 ASN A 15 3.188 -3.478 9.141 1.00 0.00 O ATOM 196 ND2 ASN A 15 3.468 -3.840 11.277 1.00 0.00 N ATOM 0 H ASN A 15 -1.456 -3.232 10.000 1.00 0.00 H new ATOM 0 HA ASN A 15 0.672 -2.936 9.195 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.035 -4.690 11.243 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.554 -5.722 9.925 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.367 -3.359 11.261 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.116 -4.235 12.149 1.00 0.00 H new ATOM 203 N PRO A 16 -0.409 -4.163 6.963 1.00 0.00 N ATOM 204 CA PRO A 16 -0.463 -4.681 5.574 1.00 0.00 C ATOM 205 C PRO A 16 0.622 -4.054 4.686 1.00 0.00 C ATOM 206 O PRO A 16 1.226 -3.052 5.028 1.00 0.00 O ATOM 207 CB PRO A 16 -1.839 -4.235 5.074 1.00 0.00 C ATOM 208 CG PRO A 16 -2.239 -3.016 5.936 1.00 0.00 C ATOM 209 CD PRO A 16 -1.422 -3.105 7.235 1.00 0.00 C ATOM 0 HA PRO A 16 -0.302 -5.759 5.542 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.801 -3.969 4.018 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.569 -5.039 5.174 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.029 -2.085 5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.308 -3.027 6.150 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.948 -2.153 7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.053 -3.368 8.084 1.00 0.00 H new ATOM 217 N LEU A 17 0.826 -4.640 3.524 1.00 0.00 N ATOM 218 CA LEU A 17 1.819 -4.125 2.519 1.00 0.00 C ATOM 219 C LEU A 17 3.148 -3.696 3.179 1.00 0.00 C ATOM 220 O LEU A 17 3.721 -2.668 2.838 1.00 0.00 O ATOM 221 CB LEU A 17 1.183 -2.945 1.774 1.00 0.00 C ATOM 222 CG LEU A 17 0.198 -3.478 0.731 1.00 0.00 C ATOM 223 CD1 LEU A 17 -1.172 -3.689 1.376 1.00 0.00 C ATOM 224 CD2 LEU A 17 0.073 -2.472 -0.416 1.00 0.00 C ATOM 0 H LEU A 17 0.330 -5.479 3.223 1.00 0.00 H new ATOM 0 HA LEU A 17 2.064 -4.928 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.667 -2.291 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.955 -2.347 1.290 1.00 0.00 H new ATOM 0 HG LEU A 17 0.564 -4.429 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.871 -4.069 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.084 -4.408 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.540 -2.741 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.629 -2.852 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.290 -1.520 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.049 -2.326 -0.880 1.00 0.00 H new ATOM 236 N ASP A 18 3.654 -4.494 4.097 1.00 0.00 N ATOM 237 CA ASP A 18 4.960 -4.162 4.764 1.00 0.00 C ATOM 238 C ASP A 18 6.084 -4.307 3.733 1.00 0.00 C ATOM 239 O ASP A 18 7.030 -3.515 3.686 1.00 0.00 O ATOM 240 CB ASP A 18 5.201 -5.117 5.939 1.00 0.00 C ATOM 241 CG ASP A 18 5.067 -6.564 5.458 1.00 0.00 C ATOM 242 OD1 ASP A 18 6.028 -7.076 4.908 1.00 0.00 O ATOM 243 OD2 ASP A 18 4.006 -7.135 5.647 1.00 0.00 O ATOM 0 H ASP A 18 3.218 -5.361 4.413 1.00 0.00 H new ATOM 0 HA ASP A 18 4.936 -3.141 5.145 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.194 -4.952 6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.483 -4.919 6.735 1.00 0.00 H new ATOM 248 N SER A 19 5.954 -5.304 2.889 1.00 0.00 N ATOM 249 CA SER A 19 6.958 -5.548 1.813 1.00 0.00 C ATOM 250 C SER A 19 6.968 -4.349 0.868 1.00 0.00 C ATOM 251 O SER A 19 7.960 -4.078 0.215 1.00 0.00 O ATOM 252 CB SER A 19 6.580 -6.807 1.031 1.00 0.00 C ATOM 253 OG SER A 19 7.762 -7.428 0.545 1.00 0.00 O ATOM 0 H SER A 19 5.180 -5.968 2.904 1.00 0.00 H new ATOM 0 HA SER A 19 7.945 -5.684 2.255 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.030 -7.496 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.922 -6.550 0.201 1.00 0.00 H new ATOM 0 HG SER A 19 8.047 -8.125 1.172 1.00 0.00 H new ATOM 259 N CYS A 20 5.860 -3.641 0.790 1.00 0.00 N ATOM 260 CA CYS A 20 5.763 -2.457 -0.106 1.00 0.00 C ATOM 261 C CYS A 20 6.539 -1.293 0.504 1.00 0.00 C ATOM 262 O CYS A 20 7.200 -0.545 -0.203 1.00 0.00 O ATOM 263 CB CYS A 20 4.293 -2.087 -0.284 1.00 0.00 C ATOM 264 SG CYS A 20 3.365 -3.541 -0.858 1.00 0.00 S ATOM 0 H CYS A 20 5.012 -3.843 1.320 1.00 0.00 H new ATOM 0 HA CYS A 20 6.192 -2.688 -1.081 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.881 -1.729 0.659 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.197 -1.274 -1.003 1.00 0.00 H new ATOM 269 N ARG A 21 6.467 -1.144 1.813 1.00 0.00 N ATOM 270 CA ARG A 21 7.199 -0.035 2.494 1.00 0.00 C ATOM 271 C ARG A 21 8.724 -0.254 2.307 1.00 0.00 C ATOM 272 O ARG A 21 9.449 0.667 1.910 1.00 0.00 O ATOM 273 CB ARG A 21 6.768 0.035 3.995 1.00 0.00 C ATOM 274 CG ARG A 21 7.928 0.467 4.912 1.00 0.00 C ATOM 275 CD ARG A 21 7.481 0.429 6.373 1.00 0.00 C ATOM 276 NE ARG A 21 8.602 -0.087 7.208 1.00 0.00 N ATOM 277 CZ ARG A 21 8.429 -0.299 8.483 1.00 0.00 C ATOM 278 NH1 ARG A 21 8.635 0.666 9.337 1.00 0.00 N ATOM 279 NH2 ARG A 21 8.058 -1.477 8.903 1.00 0.00 N ATOM 0 H ARG A 21 5.929 -1.748 2.434 1.00 0.00 H new ATOM 0 HA ARG A 21 6.950 0.930 2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.941 0.737 4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.400 -0.941 4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.783 -0.194 4.767 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.255 1.473 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.192 1.426 6.705 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.605 -0.210 6.482 1.00 0.00 H new ATOM 0 HE ARG A 21 9.509 -0.275 6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.931 1.585 9.007 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.500 0.502 10.335 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.903 -2.232 8.234 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.923 -1.644 9.900 1.00 0.00 H new ATOM 293 N TRP A 22 9.217 -1.459 2.575 1.00 0.00 N ATOM 294 CA TRP A 22 10.689 -1.708 2.407 1.00 0.00 C ATOM 295 C TRP A 22 11.052 -1.667 0.923 1.00 0.00 C ATOM 296 O TRP A 22 12.169 -1.310 0.559 1.00 0.00 O ATOM 297 CB TRP A 22 11.125 -3.051 2.999 1.00 0.00 C ATOM 298 CG TRP A 22 11.300 -2.893 4.461 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.647 -3.570 5.411 1.00 0.00 C ATOM 300 CD2 TRP A 22 12.200 -2.002 5.133 1.00 0.00 C ATOM 301 NE1 TRP A 22 11.094 -3.141 6.652 1.00 0.00 N ATOM 302 CE2 TRP A 22 12.063 -2.163 6.525 1.00 0.00 C ATOM 303 CE3 TRP A 22 13.110 -1.079 4.646 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.824 -1.411 7.420 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.887 -0.312 5.531 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.744 -0.479 6.919 1.00 0.00 C ATOM 0 H TRP A 22 8.670 -2.258 2.895 1.00 0.00 H new ATOM 0 HA TRP A 22 11.214 -0.922 2.950 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.378 -3.817 2.789 1.00 0.00 H new ATOM 0 HB3 TRP A 22 12.057 -3.381 2.541 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.895 -4.326 5.240 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.752 -3.501 7.543 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.223 -0.948 3.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.706 -1.545 8.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.595 0.406 5.144 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.342 0.110 7.599 1.00 0.00 H new ATOM 317 N TYR A 23 10.114 -2.026 0.069 1.00 0.00 N ATOM 318 CA TYR A 23 10.379 -2.017 -1.397 1.00 0.00 C ATOM 319 C TYR A 23 10.589 -0.576 -1.857 1.00 0.00 C ATOM 320 O TYR A 23 11.398 -0.335 -2.735 1.00 0.00 O ATOM 321 CB TYR A 23 9.221 -2.669 -2.155 1.00 0.00 C ATOM 322 CG TYR A 23 9.578 -2.766 -3.619 1.00 0.00 C ATOM 323 CD1 TYR A 23 10.635 -3.589 -4.026 1.00 0.00 C ATOM 324 CD2 TYR A 23 8.856 -2.034 -4.566 1.00 0.00 C ATOM 325 CE1 TYR A 23 10.970 -3.681 -5.381 1.00 0.00 C ATOM 326 CE2 TYR A 23 9.191 -2.125 -5.922 1.00 0.00 C ATOM 327 CZ TYR A 23 10.248 -2.948 -6.330 1.00 0.00 C ATOM 328 OH TYR A 23 10.577 -3.037 -7.667 1.00 0.00 O ATOM 0 H TYR A 23 9.175 -2.325 0.334 1.00 0.00 H new ATOM 0 HA TYR A 23 11.279 -2.594 -1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.019 -3.661 -1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.311 -2.082 -2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.192 -4.153 -3.293 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.041 -1.399 -4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.785 -4.317 -5.695 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.634 -1.560 -6.654 1.00 0.00 H new ATOM 0 HH TYR A 23 10.949 -3.924 -7.854 1.00 0.00 H new ATOM 338 N VAL A 24 9.904 0.387 -1.250 1.00 0.00 N ATOM 339 CA VAL A 24 10.133 1.815 -1.648 1.00 0.00 C ATOM 340 C VAL A 24 11.496 2.214 -1.110 1.00 0.00 C ATOM 341 O VAL A 24 12.226 2.926 -1.764 1.00 0.00 O ATOM 342 CB VAL A 24 9.084 2.767 -1.065 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.422 4.212 -1.482 1.00 0.00 C ATOM 344 CG2 VAL A 24 7.696 2.395 -1.588 1.00 0.00 C ATOM 0 H VAL A 24 9.213 0.242 -0.514 1.00 0.00 H new ATOM 0 HA VAL A 24 10.068 1.889 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 24 9.088 2.687 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.678 4.893 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.408 4.479 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.419 4.287 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.955 3.076 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.685 2.470 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.458 1.373 -1.293 1.00 0.00 H new ATOM 354 N SER A 25 11.837 1.767 0.085 1.00 0.00 N ATOM 355 CA SER A 25 13.170 2.132 0.669 1.00 0.00 C ATOM 356 C SER A 25 14.289 1.704 -0.300 1.00 0.00 C ATOM 357 O SER A 25 15.297 2.381 -0.436 1.00 0.00 O ATOM 358 CB SER A 25 13.374 1.423 2.007 1.00 0.00 C ATOM 359 OG SER A 25 12.143 1.381 2.719 1.00 0.00 O ATOM 0 H SER A 25 11.253 1.171 0.673 1.00 0.00 H new ATOM 0 HA SER A 25 13.201 3.210 0.825 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.744 0.411 1.841 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.128 1.946 2.595 1.00 0.00 H new ATOM 0 HG SER A 25 12.235 0.792 3.497 1.00 0.00 H new ATOM 365 N THR A 26 14.109 0.568 -0.954 1.00 0.00 N ATOM 366 CA THR A 26 15.147 0.035 -1.906 1.00 0.00 C ATOM 367 C THR A 26 15.125 0.769 -3.264 1.00 0.00 C ATOM 368 O THR A 26 16.160 1.180 -3.754 1.00 0.00 O ATOM 369 CB THR A 26 14.898 -1.468 -2.121 1.00 0.00 C ATOM 370 OG1 THR A 26 14.935 -2.131 -0.867 1.00 0.00 O ATOM 371 CG2 THR A 26 15.972 -2.062 -3.041 1.00 0.00 C ATOM 0 H THR A 26 13.277 -0.016 -0.865 1.00 0.00 H new ATOM 0 HA THR A 26 16.130 0.203 -1.466 1.00 0.00 H new ATOM 0 HB THR A 26 13.922 -1.603 -2.587 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.409 -1.573 -0.216 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.782 -3.126 -3.183 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.944 -1.556 -4.006 1.00 0.00 H new ATOM 0 HG23 THR A 26 16.954 -1.927 -2.588 1.00 0.00 H new ATOM 379 N ARG A 27 13.972 0.903 -3.881 1.00 0.00 N ATOM 380 CA ARG A 27 13.880 1.583 -5.221 1.00 0.00 C ATOM 381 C ARG A 27 14.267 3.060 -5.104 1.00 0.00 C ATOM 382 O ARG A 27 14.654 3.683 -6.079 1.00 0.00 O ATOM 383 CB ARG A 27 12.441 1.502 -5.742 1.00 0.00 C ATOM 384 CG ARG A 27 12.236 0.208 -6.533 1.00 0.00 C ATOM 385 CD ARG A 27 13.123 0.210 -7.785 1.00 0.00 C ATOM 386 NE ARG A 27 12.264 0.302 -9.001 1.00 0.00 N ATOM 387 CZ ARG A 27 12.283 1.382 -9.734 1.00 0.00 C ATOM 388 NH1 ARG A 27 11.745 2.484 -9.288 1.00 0.00 N ATOM 389 NH2 ARG A 27 12.840 1.359 -10.916 1.00 0.00 N ATOM 0 H ARG A 27 13.082 0.568 -3.512 1.00 0.00 H new ATOM 0 HA ARG A 27 14.563 1.080 -5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.742 1.541 -4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.228 2.362 -6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.478 -0.652 -5.908 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.189 0.110 -6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.816 1.051 -7.752 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.725 -0.698 -7.819 1.00 0.00 H new ATOM 0 HE ARG A 27 11.662 -0.479 -9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.309 2.502 -8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.760 3.327 -9.861 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.260 0.497 -11.265 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.855 2.203 -11.489 1.00 0.00 H new ATOM 403 N THR A 28 14.110 3.625 -3.931 1.00 0.00 N ATOM 404 CA THR A 28 14.399 5.074 -3.722 1.00 0.00 C ATOM 405 C THR A 28 15.840 5.309 -3.227 1.00 0.00 C ATOM 406 O THR A 28 16.615 5.964 -3.906 1.00 0.00 O ATOM 407 CB THR A 28 13.370 5.633 -2.720 1.00 0.00 C ATOM 408 OG1 THR A 28 13.526 5.008 -1.456 1.00 0.00 O ATOM 409 CG2 THR A 28 11.960 5.364 -3.245 1.00 0.00 C ATOM 0 H THR A 28 13.788 3.133 -3.098 1.00 0.00 H new ATOM 0 HA THR A 28 14.315 5.597 -4.675 1.00 0.00 H new ATOM 0 HB THR A 28 13.529 6.706 -2.608 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.789 4.378 -1.309 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.228 5.758 -2.540 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.832 5.852 -4.211 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.813 4.290 -3.359 1.00 0.00 H new ATOM 417 N CYS A 29 16.198 4.817 -2.052 1.00 0.00 N ATOM 418 CA CYS A 29 17.583 5.049 -1.512 1.00 0.00 C ATOM 419 C CYS A 29 18.485 3.828 -1.726 1.00 0.00 C ATOM 420 O CYS A 29 19.577 3.769 -1.181 1.00 0.00 O ATOM 421 CB CYS A 29 17.514 5.338 -0.011 1.00 0.00 C ATOM 422 SG CYS A 29 16.077 6.363 0.381 1.00 0.00 S ATOM 0 H CYS A 29 15.589 4.266 -1.447 1.00 0.00 H new ATOM 0 HA CYS A 29 18.004 5.898 -2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.459 4.400 0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.425 5.844 0.309 1.00 0.00 H new ATOM 427 N GLY A 30 18.037 2.854 -2.482 1.00 0.00 N ATOM 428 CA GLY A 30 18.861 1.613 -2.707 1.00 0.00 C ATOM 429 C GLY A 30 19.178 0.961 -1.351 1.00 0.00 C ATOM 430 O GLY A 30 20.211 0.335 -1.186 1.00 0.00 O ATOM 0 H GLY A 30 17.134 2.861 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.319 0.913 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.785 1.865 -3.227 1.00 0.00 H new ATOM 434 N VAL A 31 18.292 1.124 -0.385 1.00 0.00 N ATOM 435 CA VAL A 31 18.510 0.542 0.981 1.00 0.00 C ATOM 436 C VAL A 31 17.357 -0.410 1.327 1.00 0.00 C ATOM 437 O VAL A 31 16.320 -0.389 0.684 1.00 0.00 O ATOM 438 CB VAL A 31 18.562 1.681 2.003 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.920 1.123 3.382 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.625 2.697 1.574 1.00 0.00 C ATOM 0 H VAL A 31 17.420 1.642 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 31 19.447 -0.014 1.000 1.00 0.00 H new ATOM 0 HB VAL A 31 17.587 2.166 2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.956 1.937 4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.166 0.398 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.894 0.636 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.665 3.510 2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.597 2.207 1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.370 3.098 0.593 1.00 0.00 H new ATOM 450 N GLY A 32 17.540 -1.247 2.334 1.00 0.00 N ATOM 451 CA GLY A 32 16.471 -2.221 2.730 1.00 0.00 C ATOM 452 C GLY A 32 17.119 -3.607 2.996 1.00 0.00 C ATOM 453 O GLY A 32 18.318 -3.734 2.808 1.00 0.00 O ATOM 0 H GLY A 32 18.389 -1.293 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.955 -1.870 3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.724 -2.301 1.940 1.00 0.00 H new ATOM 457 N PRO A 33 16.344 -4.627 3.410 1.00 0.00 N ATOM 458 CA PRO A 33 16.923 -5.976 3.661 1.00 0.00 C ATOM 459 C PRO A 33 17.465 -6.571 2.347 1.00 0.00 C ATOM 460 O PRO A 33 17.367 -5.940 1.305 1.00 0.00 O ATOM 461 CB PRO A 33 15.752 -6.775 4.270 1.00 0.00 C ATOM 462 CG PRO A 33 14.467 -6.040 3.857 1.00 0.00 C ATOM 463 CD PRO A 33 14.864 -4.570 3.652 1.00 0.00 C ATOM 0 HA PRO A 33 17.779 -5.978 4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.748 -7.801 3.902 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.839 -6.826 5.355 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.053 -6.463 2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.700 -6.133 4.626 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.337 -4.128 2.806 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.625 -3.966 4.527 1.00 0.00 H new ATOM 471 N ARG A 34 18.069 -7.752 2.390 1.00 0.00 N ATOM 472 CA ARG A 34 18.660 -8.353 1.155 1.00 0.00 C ATOM 473 C ARG A 34 17.639 -9.261 0.464 1.00 0.00 C ATOM 474 O ARG A 34 17.591 -10.465 0.674 1.00 0.00 O ATOM 475 CB ARG A 34 19.912 -9.161 1.530 1.00 0.00 C ATOM 476 CG ARG A 34 21.025 -8.908 0.501 1.00 0.00 C ATOM 477 CD ARG A 34 22.172 -8.136 1.159 1.00 0.00 C ATOM 478 NE ARG A 34 22.762 -8.965 2.246 1.00 0.00 N ATOM 479 CZ ARG A 34 24.039 -9.229 2.244 1.00 0.00 C ATOM 480 NH1 ARG A 34 24.498 -10.217 1.525 1.00 0.00 N ATOM 481 NH2 ARG A 34 24.857 -8.509 2.960 1.00 0.00 N ATOM 0 H ARG A 34 18.172 -8.317 3.233 1.00 0.00 H new ATOM 0 HA ARG A 34 18.935 -7.555 0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 34 20.254 -8.878 2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 34 19.672 -10.224 1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.391 -9.856 0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 34 20.631 -8.343 -0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 34 22.933 -7.891 0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 34 21.806 -7.192 1.563 1.00 0.00 H new ATOM 0 HE ARG A 34 22.168 -9.326 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 34 23.858 -10.781 0.966 1.00 0.00 H new ATOM 0 HH12 ARG A 34 25.497 -10.425 1.522 1.00 0.00 H new ATOM 0 HH21 ARG A 34 24.498 -7.738 3.523 1.00 0.00 H new ATOM 0 HH22 ARG A 34 25.856 -8.717 2.957 1.00 0.00 H new ATOM 495 N LEU A 35 16.840 -8.660 -0.381 1.00 0.00 N ATOM 496 CA LEU A 35 15.806 -9.405 -1.157 1.00 0.00 C ATOM 497 C LEU A 35 15.748 -8.800 -2.560 1.00 0.00 C ATOM 498 O LEU A 35 15.613 -7.597 -2.709 1.00 0.00 O ATOM 499 CB LEU A 35 14.442 -9.263 -0.477 1.00 0.00 C ATOM 500 CG LEU A 35 14.166 -10.507 0.368 1.00 0.00 C ATOM 501 CD1 LEU A 35 12.974 -10.244 1.290 1.00 0.00 C ATOM 502 CD2 LEU A 35 13.849 -11.683 -0.556 1.00 0.00 C ATOM 0 H LEU A 35 16.863 -7.658 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 35 16.059 -10.464 -1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.427 -8.372 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.661 -9.138 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 35 15.043 -10.742 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.777 -11.131 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.200 -9.403 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.094 -10.011 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.651 -12.573 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.971 -11.447 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.699 -11.869 -1.213 1.00 0.00 H new ATOM 514 N ALA A 36 15.865 -9.623 -3.586 1.00 0.00 N ATOM 515 CA ALA A 36 15.836 -9.107 -4.997 1.00 0.00 C ATOM 516 C ALA A 36 14.600 -8.210 -5.200 1.00 0.00 C ATOM 517 O ALA A 36 13.600 -8.377 -4.521 1.00 0.00 O ATOM 518 CB ALA A 36 15.782 -10.286 -5.973 1.00 0.00 C ATOM 0 H ALA A 36 15.980 -10.633 -3.503 1.00 0.00 H new ATOM 0 HA ALA A 36 16.737 -8.522 -5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.761 -9.911 -6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.662 -10.913 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.884 -10.874 -5.784 1.00 0.00 H new ATOM 524 N THR A 37 14.670 -7.257 -6.115 1.00 0.00 N ATOM 525 CA THR A 37 13.516 -6.334 -6.359 1.00 0.00 C ATOM 526 C THR A 37 12.279 -7.120 -6.789 1.00 0.00 C ATOM 527 O THR A 37 11.259 -7.042 -6.146 1.00 0.00 O ATOM 528 CB THR A 37 13.876 -5.325 -7.458 1.00 0.00 C ATOM 529 OG1 THR A 37 14.724 -5.939 -8.423 1.00 0.00 O ATOM 530 CG2 THR A 37 14.591 -4.123 -6.838 1.00 0.00 C ATOM 0 H THR A 37 15.485 -7.084 -6.703 1.00 0.00 H new ATOM 0 HA THR A 37 13.299 -5.807 -5.430 1.00 0.00 H new ATOM 0 HB THR A 37 12.961 -4.991 -7.948 1.00 0.00 H new ATOM 0 HG1 THR A 37 14.948 -5.290 -9.122 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.846 -3.408 -7.620 1.00 0.00 H new ATOM 0 HG22 THR A 37 13.936 -3.646 -6.109 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.502 -4.458 -6.342 1.00 0.00 H new ATOM 538 N GLN A 38 12.357 -7.846 -7.880 1.00 0.00 N ATOM 539 CA GLN A 38 11.167 -8.618 -8.383 1.00 0.00 C ATOM 540 C GLN A 38 10.568 -9.510 -7.286 1.00 0.00 C ATOM 541 O GLN A 38 9.377 -9.786 -7.300 1.00 0.00 O ATOM 542 CB GLN A 38 11.591 -9.479 -9.574 1.00 0.00 C ATOM 543 CG GLN A 38 11.644 -8.616 -10.836 1.00 0.00 C ATOM 544 CD GLN A 38 12.209 -9.437 -11.997 1.00 0.00 C ATOM 545 OE1 GLN A 38 11.531 -10.287 -12.539 1.00 0.00 O ATOM 546 NE2 GLN A 38 13.429 -9.216 -12.405 1.00 0.00 N ATOM 0 H GLN A 38 13.198 -7.939 -8.449 1.00 0.00 H new ATOM 0 HA GLN A 38 10.401 -7.905 -8.688 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.567 -9.925 -9.384 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.887 -10.300 -9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.646 -8.256 -11.084 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.266 -7.738 -10.662 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.998 -8.502 -11.949 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.814 -9.757 -13.179 1.00 0.00 H new ATOM 555 N GLU A 39 11.372 -9.958 -6.348 1.00 0.00 N ATOM 556 CA GLU A 39 10.853 -10.835 -5.247 1.00 0.00 C ATOM 557 C GLU A 39 10.000 -10.004 -4.288 1.00 0.00 C ATOM 558 O GLU A 39 8.907 -10.402 -3.913 1.00 0.00 O ATOM 559 CB GLU A 39 12.025 -11.451 -4.481 1.00 0.00 C ATOM 560 CG GLU A 39 12.565 -12.657 -5.257 1.00 0.00 C ATOM 561 CD GLU A 39 13.909 -13.095 -4.667 1.00 0.00 C ATOM 562 OE1 GLU A 39 14.000 -13.200 -3.453 1.00 0.00 O ATOM 563 OE2 GLU A 39 14.825 -13.324 -5.440 1.00 0.00 O ATOM 0 H GLU A 39 12.370 -9.753 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 39 10.245 -11.630 -5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.813 -10.711 -4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.702 -11.760 -3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.852 -13.480 -5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.686 -12.399 -6.309 1.00 0.00 H new ATOM 570 N MET A 40 10.503 -8.855 -3.895 1.00 0.00 N ATOM 571 CA MET A 40 9.762 -7.961 -2.953 1.00 0.00 C ATOM 572 C MET A 40 8.454 -7.537 -3.616 1.00 0.00 C ATOM 573 O MET A 40 7.373 -7.717 -3.073 1.00 0.00 O ATOM 574 CB MET A 40 10.606 -6.719 -2.693 1.00 0.00 C ATOM 575 CG MET A 40 10.200 -6.092 -1.359 1.00 0.00 C ATOM 576 SD MET A 40 11.123 -6.903 -0.028 1.00 0.00 S ATOM 577 CE MET A 40 10.200 -6.205 1.362 1.00 0.00 C ATOM 0 H MET A 40 11.410 -8.496 -4.194 1.00 0.00 H new ATOM 0 HA MET A 40 9.560 -8.480 -2.016 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.663 -6.983 -2.675 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.471 -6.000 -3.501 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.409 -5.022 -1.366 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.128 -6.206 -1.199 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.890 -5.710 2.045 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.475 -5.481 0.990 1.00 0.00 H new ATOM 0 HE3 MET A 40 9.677 -7.003 1.889 1.00 0.00 H new ATOM 587 N LYS A 41 8.567 -6.978 -4.803 1.00 0.00 N ATOM 588 CA LYS A 41 7.367 -6.524 -5.577 1.00 0.00 C ATOM 589 C LYS A 41 6.378 -7.688 -5.703 1.00 0.00 C ATOM 590 O LYS A 41 5.171 -7.497 -5.660 1.00 0.00 O ATOM 591 CB LYS A 41 7.797 -6.070 -6.975 1.00 0.00 C ATOM 592 CG LYS A 41 6.595 -5.465 -7.707 1.00 0.00 C ATOM 593 CD LYS A 41 6.993 -5.116 -9.143 1.00 0.00 C ATOM 594 CE LYS A 41 8.006 -3.969 -9.127 1.00 0.00 C ATOM 595 NZ LYS A 41 8.021 -3.300 -10.460 1.00 0.00 N ATOM 0 H LYS A 41 9.457 -6.816 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 41 6.893 -5.692 -5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.598 -5.335 -6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.192 -6.916 -7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.765 -6.171 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.251 -4.571 -7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.423 -5.988 -9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.112 -4.829 -9.717 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.745 -3.250 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.999 -4.350 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.981 -2.956 -10.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.733 -3.979 -11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.360 -2.497 -10.453 1.00 0.00 H new ATOM 609 N ALA A 42 6.898 -8.893 -5.841 1.00 0.00 N ATOM 610 CA ALA A 42 6.025 -10.100 -5.956 1.00 0.00 C ATOM 611 C ALA A 42 5.215 -10.246 -4.666 1.00 0.00 C ATOM 612 O ALA A 42 4.025 -10.527 -4.696 1.00 0.00 O ATOM 613 CB ALA A 42 6.895 -11.343 -6.154 1.00 0.00 C ATOM 0 H ALA A 42 7.899 -9.086 -5.878 1.00 0.00 H new ATOM 0 HA ALA A 42 5.353 -9.992 -6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.258 -12.223 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.484 -11.233 -7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.564 -11.459 -5.301 1.00 0.00 H new ATOM 619 N ARG A 43 5.867 -10.043 -3.539 1.00 0.00 N ATOM 620 CA ARG A 43 5.178 -10.153 -2.216 1.00 0.00 C ATOM 621 C ARG A 43 4.053 -9.116 -2.135 1.00 0.00 C ATOM 622 O ARG A 43 2.971 -9.409 -1.641 1.00 0.00 O ATOM 623 CB ARG A 43 6.186 -9.900 -1.088 1.00 0.00 C ATOM 624 CG ARG A 43 5.912 -10.859 0.073 1.00 0.00 C ATOM 625 CD ARG A 43 4.782 -10.300 0.943 1.00 0.00 C ATOM 626 NE ARG A 43 4.314 -11.356 1.885 1.00 0.00 N ATOM 627 CZ ARG A 43 4.473 -11.202 3.171 1.00 0.00 C ATOM 628 NH1 ARG A 43 5.669 -11.042 3.668 1.00 0.00 N ATOM 629 NH2 ARG A 43 3.435 -11.209 3.962 1.00 0.00 N ATOM 0 H ARG A 43 6.857 -9.804 -3.484 1.00 0.00 H new ATOM 0 HA ARG A 43 4.759 -11.154 -2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.202 -10.041 -1.457 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.112 -8.868 -0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.638 -11.842 -0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.814 -10.990 0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.132 -9.430 1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.956 -9.965 0.315 1.00 0.00 H new ATOM 0 HE ARG A 43 3.869 -12.200 1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.481 -11.037 3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.792 -10.922 4.673 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.500 -11.335 3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.559 -11.089 4.967 1.00 0.00 H new ATOM 643 N CYS A 44 4.303 -7.911 -2.617 1.00 0.00 N ATOM 644 CA CYS A 44 3.253 -6.842 -2.574 1.00 0.00 C ATOM 645 C CYS A 44 2.077 -7.222 -3.465 1.00 0.00 C ATOM 646 O CYS A 44 0.951 -6.867 -3.177 1.00 0.00 O ATOM 647 CB CYS A 44 3.793 -5.527 -3.089 1.00 0.00 C ATOM 648 SG CYS A 44 4.725 -4.730 -1.778 1.00 0.00 S ATOM 0 H CYS A 44 5.189 -7.628 -3.036 1.00 0.00 H new ATOM 0 HA CYS A 44 2.942 -6.741 -1.534 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.431 -5.695 -3.957 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.975 -4.885 -3.414 1.00 0.00 H new ATOM 653 N CYS A 45 2.341 -7.914 -4.559 1.00 0.00 N ATOM 654 CA CYS A 45 1.238 -8.303 -5.496 1.00 0.00 C ATOM 655 C CYS A 45 0.418 -9.424 -4.862 1.00 0.00 C ATOM 656 O CYS A 45 -0.771 -9.539 -5.110 1.00 0.00 O ATOM 657 CB CYS A 45 1.811 -8.782 -6.834 1.00 0.00 C ATOM 658 SG CYS A 45 2.244 -7.372 -7.901 1.00 0.00 S ATOM 0 H CYS A 45 3.272 -8.223 -4.838 1.00 0.00 H new ATOM 0 HA CYS A 45 0.606 -7.434 -5.681 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.696 -9.393 -6.657 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.082 -9.415 -7.340 1.00 0.00 H new ATOM 663 N ARG A 46 1.048 -10.246 -4.045 1.00 0.00 N ATOM 664 CA ARG A 46 0.320 -11.367 -3.377 1.00 0.00 C ATOM 665 C ARG A 46 -0.549 -10.785 -2.263 1.00 0.00 C ATOM 666 O ARG A 46 -1.621 -11.297 -1.971 1.00 0.00 O ATOM 667 CB ARG A 46 1.335 -12.340 -2.777 1.00 0.00 C ATOM 668 CG ARG A 46 0.693 -13.725 -2.597 1.00 0.00 C ATOM 669 CD ARG A 46 0.448 -14.005 -1.108 1.00 0.00 C ATOM 670 NE ARG A 46 -0.954 -14.471 -0.914 1.00 0.00 N ATOM 671 CZ ARG A 46 -1.184 -15.688 -0.500 1.00 0.00 C ATOM 672 NH1 ARG A 46 -1.109 -16.687 -1.336 1.00 0.00 N ATOM 673 NH2 ARG A 46 -1.490 -15.906 0.750 1.00 0.00 N ATOM 0 H ARG A 46 2.040 -10.183 -3.816 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.303 -11.896 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.207 -12.416 -3.427 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.686 -11.965 -1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.249 -13.771 -3.143 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.343 -14.493 -3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.147 -14.761 -0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.627 -13.103 -0.523 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.733 -13.840 -1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.871 -16.517 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.289 -17.637 -1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.550 -15.126 1.404 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.670 -16.857 1.073 1.00 0.00 H new ATOM 687 N GLN A 47 -0.088 -9.711 -1.648 1.00 0.00 N ATOM 688 CA GLN A 47 -0.870 -9.061 -0.546 1.00 0.00 C ATOM 689 C GLN A 47 -2.021 -8.242 -1.147 1.00 0.00 C ATOM 690 O GLN A 47 -3.092 -8.140 -0.566 1.00 0.00 O ATOM 691 CB GLN A 47 0.053 -8.141 0.261 1.00 0.00 C ATOM 692 CG GLN A 47 1.272 -8.933 0.765 1.00 0.00 C ATOM 693 CD GLN A 47 1.371 -8.827 2.290 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.417 -9.097 2.993 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.493 -8.443 2.834 1.00 0.00 N ATOM 0 H GLN A 47 0.800 -9.259 -1.866 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.280 -9.828 0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.381 -7.307 -0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.490 -7.716 1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.184 -9.979 0.470 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.182 -8.547 0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.294 -8.216 2.245 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.569 -8.370 3.849 1.00 0.00 H new ATOM 704 N LEU A 48 -1.797 -7.667 -2.311 1.00 0.00 N ATOM 705 CA LEU A 48 -2.842 -6.847 -2.991 1.00 0.00 C ATOM 706 C LEU A 48 -3.916 -7.771 -3.556 1.00 0.00 C ATOM 707 O LEU A 48 -5.079 -7.420 -3.592 1.00 0.00 O ATOM 708 CB LEU A 48 -2.207 -6.051 -4.135 1.00 0.00 C ATOM 709 CG LEU A 48 -3.122 -4.875 -4.522 1.00 0.00 C ATOM 710 CD1 LEU A 48 -2.488 -3.558 -4.066 1.00 0.00 C ATOM 711 CD2 LEU A 48 -3.320 -4.847 -6.043 1.00 0.00 C ATOM 0 H LEU A 48 -0.917 -7.737 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.287 -6.158 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.229 -5.678 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.048 -6.699 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.089 -5.001 -4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.138 -2.727 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.356 -3.573 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.518 -3.435 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.968 -4.013 -6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.354 -4.727 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.779 -5.781 -6.367 1.00 0.00 H new ATOM 723 N GLU A 49 -3.526 -8.951 -3.989 1.00 0.00 N ATOM 724 CA GLU A 49 -4.511 -9.925 -4.550 1.00 0.00 C ATOM 725 C GLU A 49 -5.315 -10.520 -3.394 1.00 0.00 C ATOM 726 O GLU A 49 -6.519 -10.685 -3.492 1.00 0.00 O ATOM 727 CB GLU A 49 -3.767 -11.033 -5.310 1.00 0.00 C ATOM 728 CG GLU A 49 -4.239 -11.070 -6.766 1.00 0.00 C ATOM 729 CD GLU A 49 -5.592 -11.776 -6.848 1.00 0.00 C ATOM 730 OE1 GLU A 49 -6.595 -11.124 -6.609 1.00 0.00 O ATOM 731 OE2 GLU A 49 -5.604 -12.960 -7.143 1.00 0.00 O ATOM 0 H GLU A 49 -2.560 -9.279 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.185 -9.424 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.692 -10.855 -5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.948 -11.997 -4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.322 -10.056 -7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.507 -11.591 -7.383 1.00 0.00 H new ATOM 738 N ALA A 50 -4.651 -10.814 -2.289 1.00 0.00 N ATOM 739 CA ALA A 50 -5.363 -11.371 -1.089 1.00 0.00 C ATOM 740 C ALA A 50 -6.405 -10.341 -0.647 1.00 0.00 C ATOM 741 O ALA A 50 -7.521 -10.674 -0.295 1.00 0.00 O ATOM 742 CB ALA A 50 -4.359 -11.610 0.040 1.00 0.00 C ATOM 0 H ALA A 50 -3.645 -10.690 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.843 -12.319 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.878 -12.014 0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.601 -12.319 -0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.882 -10.667 0.308 1.00 0.00 H new ATOM 748 N ILE A 51 -6.027 -9.087 -0.721 1.00 0.00 N ATOM 749 CA ILE A 51 -6.940 -7.957 -0.378 1.00 0.00 C ATOM 750 C ILE A 51 -7.815 -7.676 -1.616 1.00 0.00 C ATOM 751 O ILE A 51 -7.301 -7.155 -2.586 1.00 0.00 O ATOM 752 CB ILE A 51 -6.117 -6.713 -0.035 1.00 0.00 C ATOM 753 CG1 ILE A 51 -5.192 -7.028 1.142 1.00 0.00 C ATOM 754 CG2 ILE A 51 -7.056 -5.566 0.352 1.00 0.00 C ATOM 755 CD1 ILE A 51 -4.135 -5.930 1.268 1.00 0.00 C ATOM 0 H ILE A 51 -5.095 -8.795 -1.014 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.559 -8.210 0.483 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.524 -6.420 -0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.770 -7.099 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.711 -7.995 0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.468 -4.681 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.720 -5.342 -0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.649 -5.858 1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.476 -6.154 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.550 -5.881 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.625 -4.971 1.438 1.00 0.00 H new ATOM 767 N PRO A 52 -9.087 -8.063 -1.595 1.00 0.00 N ATOM 768 CA PRO A 52 -9.970 -7.883 -2.769 1.00 0.00 C ATOM 769 C PRO A 52 -10.052 -6.407 -3.169 1.00 0.00 C ATOM 770 O PRO A 52 -10.084 -5.523 -2.331 1.00 0.00 O ATOM 771 CB PRO A 52 -11.312 -8.477 -2.323 1.00 0.00 C ATOM 772 CG PRO A 52 -11.274 -8.507 -0.783 1.00 0.00 C ATOM 773 CD PRO A 52 -9.783 -8.630 -0.413 1.00 0.00 C ATOM 0 HA PRO A 52 -9.607 -8.380 -3.669 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.145 -7.871 -2.681 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.449 -9.479 -2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.710 -7.601 -0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.847 -9.348 -0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.548 -8.076 0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.497 -9.667 -0.237 1.00 0.00 H new ATOM 781 N ALA A 53 -10.044 -6.159 -4.465 1.00 0.00 N ATOM 782 CA ALA A 53 -10.077 -4.763 -5.031 1.00 0.00 C ATOM 783 C ALA A 53 -11.016 -3.836 -4.245 1.00 0.00 C ATOM 784 O ALA A 53 -10.797 -2.636 -4.194 1.00 0.00 O ATOM 785 CB ALA A 53 -10.551 -4.833 -6.480 1.00 0.00 C ATOM 0 H ALA A 53 -10.015 -6.891 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.070 -4.351 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.580 -3.829 -6.902 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.864 -5.450 -7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.549 -5.270 -6.516 1.00 0.00 H new ATOM 791 N TYR A 54 -12.060 -4.379 -3.654 1.00 0.00 N ATOM 792 CA TYR A 54 -13.036 -3.540 -2.883 1.00 0.00 C ATOM 793 C TYR A 54 -12.306 -2.687 -1.834 1.00 0.00 C ATOM 794 O TYR A 54 -12.232 -1.474 -1.963 1.00 0.00 O ATOM 795 CB TYR A 54 -14.061 -4.456 -2.195 1.00 0.00 C ATOM 796 CG TYR A 54 -15.445 -4.140 -2.711 1.00 0.00 C ATOM 797 CD1 TYR A 54 -15.781 -4.445 -4.035 1.00 0.00 C ATOM 798 CD2 TYR A 54 -16.383 -3.531 -1.872 1.00 0.00 C ATOM 799 CE1 TYR A 54 -17.058 -4.144 -4.519 1.00 0.00 C ATOM 800 CE2 TYR A 54 -17.660 -3.228 -2.356 1.00 0.00 C ATOM 801 CZ TYR A 54 -17.998 -3.534 -3.680 1.00 0.00 C ATOM 802 OH TYR A 54 -19.258 -3.237 -4.156 1.00 0.00 O ATOM 0 H TYR A 54 -12.277 -5.375 -3.674 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.549 -2.869 -3.572 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.819 -5.501 -2.389 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.023 -4.315 -1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -15.054 -4.913 -4.683 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -16.122 -3.295 -0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -17.319 -4.382 -5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -18.385 -2.758 -1.708 1.00 0.00 H new ATOM 0 HH TYR A 54 -19.786 -2.818 -3.445 1.00 0.00 H new ATOM 812 N CYS A 55 -11.789 -3.311 -0.795 1.00 0.00 N ATOM 813 CA CYS A 55 -11.075 -2.552 0.289 1.00 0.00 C ATOM 814 C CYS A 55 -9.577 -2.398 -0.043 1.00 0.00 C ATOM 815 O CYS A 55 -8.811 -1.958 0.798 1.00 0.00 O ATOM 816 CB CYS A 55 -11.214 -3.307 1.616 1.00 0.00 C ATOM 817 SG CYS A 55 -12.904 -3.934 1.795 1.00 0.00 S ATOM 0 H CYS A 55 -11.832 -4.320 -0.651 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.523 -1.561 0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.505 -4.134 1.650 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.972 -2.645 2.448 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.012 -4.574 2.921 1.00 0.00 H new ATOM 822 N ARG A 56 -9.149 -2.760 -1.251 1.00 0.00 N ATOM 823 CA ARG A 56 -7.691 -2.639 -1.634 1.00 0.00 C ATOM 824 C ARG A 56 -7.148 -1.245 -1.243 1.00 0.00 C ATOM 825 O ARG A 56 -6.563 -1.100 -0.185 1.00 0.00 O ATOM 826 CB ARG A 56 -7.536 -2.860 -3.152 1.00 0.00 C ATOM 827 CG ARG A 56 -6.854 -4.207 -3.419 1.00 0.00 C ATOM 828 CD ARG A 56 -6.598 -4.372 -4.923 1.00 0.00 C ATOM 829 NE ARG A 56 -6.896 -5.788 -5.318 1.00 0.00 N ATOM 830 CZ ARG A 56 -7.289 -6.102 -6.534 1.00 0.00 C ATOM 831 NH1 ARG A 56 -7.878 -5.230 -7.308 1.00 0.00 N ATOM 832 NH2 ARG A 56 -7.106 -7.320 -6.968 1.00 0.00 N ATOM 0 H ARG A 56 -9.752 -3.134 -1.984 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.118 -3.397 -1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.514 -2.837 -3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.947 -2.052 -3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.913 -4.263 -2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.482 -5.021 -3.056 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.225 -3.684 -5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.562 -4.126 -5.158 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.791 -6.528 -4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.043 -4.281 -6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.173 -5.499 -8.247 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.663 -8.015 -6.366 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.406 -7.577 -7.908 1.00 0.00 H new ATOM 846 N CYS A 57 -7.322 -0.240 -2.097 1.00 0.00 N ATOM 847 CA CYS A 57 -6.816 1.166 -1.815 1.00 0.00 C ATOM 848 C CYS A 57 -6.846 1.533 -0.306 1.00 0.00 C ATOM 849 O CYS A 57 -5.859 2.029 0.207 1.00 0.00 O ATOM 850 CB CYS A 57 -7.658 2.173 -2.610 1.00 0.00 C ATOM 851 SG CYS A 57 -7.537 1.785 -4.380 1.00 0.00 S ATOM 0 H CYS A 57 -7.801 -0.337 -2.992 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.772 1.203 -2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.698 2.131 -2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.306 3.188 -2.423 1.00 0.00 H new ATOM 0 HG CYS A 57 -8.250 2.633 -5.060 1.00 0.00 H new ATOM 856 N GLU A 58 -7.955 1.307 0.399 1.00 0.00 N ATOM 857 CA GLU A 58 -8.043 1.643 1.871 1.00 0.00 C ATOM 858 C GLU A 58 -6.751 1.256 2.625 1.00 0.00 C ATOM 859 O GLU A 58 -6.171 2.084 3.304 1.00 0.00 O ATOM 860 CB GLU A 58 -9.220 0.884 2.486 1.00 0.00 C ATOM 861 CG GLU A 58 -10.491 1.726 2.370 1.00 0.00 C ATOM 862 CD GLU A 58 -10.544 2.731 3.522 1.00 0.00 C ATOM 863 OE1 GLU A 58 -10.456 2.300 4.661 1.00 0.00 O ATOM 864 OE2 GLU A 58 -10.671 3.913 3.247 1.00 0.00 O ATOM 0 H GLU A 58 -8.805 0.901 0.008 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.182 2.720 1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.356 -0.070 1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.014 0.660 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.507 2.251 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.370 1.082 2.394 1.00 0.00 H new ATOM 871 N ALA A 59 -6.316 0.005 2.524 1.00 0.00 N ATOM 872 CA ALA A 59 -5.069 -0.466 3.240 1.00 0.00 C ATOM 873 C ALA A 59 -3.933 0.570 3.165 1.00 0.00 C ATOM 874 O ALA A 59 -3.273 0.844 4.158 1.00 0.00 O ATOM 875 CB ALA A 59 -4.586 -1.775 2.614 1.00 0.00 C ATOM 0 H ALA A 59 -6.779 -0.715 1.969 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.328 -0.611 4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.688 -2.115 3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.365 -2.532 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.360 -1.613 1.560 1.00 0.00 H new ATOM 881 N VAL A 60 -3.707 1.139 2.002 1.00 0.00 N ATOM 882 CA VAL A 60 -2.624 2.165 1.838 1.00 0.00 C ATOM 883 C VAL A 60 -2.875 3.315 2.823 1.00 0.00 C ATOM 884 O VAL A 60 -1.985 3.726 3.550 1.00 0.00 O ATOM 885 CB VAL A 60 -2.640 2.701 0.402 1.00 0.00 C ATOM 886 CG1 VAL A 60 -1.463 3.660 0.200 1.00 0.00 C ATOM 887 CG2 VAL A 60 -2.528 1.535 -0.589 1.00 0.00 C ATOM 0 H VAL A 60 -4.232 0.934 1.152 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.652 1.714 2.040 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.576 3.232 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.475 4.041 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.548 4.492 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.527 3.130 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.540 1.921 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.595 0.998 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.369 0.856 -0.449 1.00 0.00 H new ATOM 897 N ARG A 61 -4.094 3.814 2.849 1.00 0.00 N ATOM 898 CA ARG A 61 -4.463 4.928 3.781 1.00 0.00 C ATOM 899 C ARG A 61 -4.205 4.495 5.234 1.00 0.00 C ATOM 900 O ARG A 61 -3.984 5.321 6.098 1.00 0.00 O ATOM 901 CB ARG A 61 -5.954 5.262 3.598 1.00 0.00 C ATOM 902 CG ARG A 61 -6.110 6.643 2.954 1.00 0.00 C ATOM 903 CD ARG A 61 -7.523 6.782 2.383 1.00 0.00 C ATOM 904 NE ARG A 61 -7.954 8.207 2.451 1.00 0.00 N ATOM 905 CZ ARG A 61 -8.919 8.634 1.682 1.00 0.00 C ATOM 906 NH1 ARG A 61 -10.156 8.314 1.949 1.00 0.00 N ATOM 907 NH2 ARG A 61 -8.647 9.380 0.646 1.00 0.00 N ATOM 0 H ARG A 61 -4.857 3.490 2.254 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.859 5.808 3.559 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.430 4.506 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.460 5.243 4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.926 7.423 3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.372 6.773 2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.544 6.434 1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.216 6.155 2.944 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.495 8.848 3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.369 7.731 2.758 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.910 8.647 1.348 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.680 9.630 0.437 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.401 9.713 0.045 1.00 0.00 H new ATOM 921 N ILE A 62 -4.258 3.208 5.499 1.00 0.00 N ATOM 922 CA ILE A 62 -4.030 2.679 6.887 1.00 0.00 C ATOM 923 C ILE A 62 -2.534 2.646 7.205 1.00 0.00 C ATOM 924 O ILE A 62 -2.151 2.774 8.356 1.00 0.00 O ATOM 925 CB ILE A 62 -4.606 1.253 6.974 1.00 0.00 C ATOM 926 CG1 ILE A 62 -6.123 1.285 6.704 1.00 0.00 C ATOM 927 CG2 ILE A 62 -4.317 0.625 8.348 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.866 2.021 7.828 1.00 0.00 C ATOM 0 H ILE A 62 -4.453 2.490 4.801 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.525 3.330 7.608 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.122 0.637 6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.316 1.778 5.751 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.502 0.267 6.618 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.734 -0.381 8.383 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.240 0.577 8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.772 1.234 9.129 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.935 2.029 7.613 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.690 1.511 8.775 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.501 3.046 7.895 1.00 0.00 H new ATOM 940 N LEU A 63 -1.700 2.448 6.212 1.00 0.00 N ATOM 941 CA LEU A 63 -0.229 2.387 6.470 1.00 0.00 C ATOM 942 C LEU A 63 0.321 3.795 6.654 1.00 0.00 C ATOM 943 O LEU A 63 1.124 4.032 7.539 1.00 0.00 O ATOM 944 CB LEU A 63 0.477 1.693 5.302 1.00 0.00 C ATOM 945 CG LEU A 63 1.854 1.197 5.753 1.00 0.00 C ATOM 946 CD1 LEU A 63 1.690 0.124 6.832 1.00 0.00 C ATOM 947 CD2 LEU A 63 2.596 0.601 4.555 1.00 0.00 C ATOM 0 H LEU A 63 -1.975 2.326 5.237 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.048 1.815 7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.124 0.856 4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.585 2.385 4.467 1.00 0.00 H new ATOM 0 HG LEU A 63 2.423 2.033 6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.672 -0.226 7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.161 0.545 7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.120 -0.713 6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.577 0.247 4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.023 -0.233 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.718 1.364 3.786 1.00 0.00 H new ATOM 959 N MET A 64 -0.094 4.719 5.826 1.00 0.00 N ATOM 960 CA MET A 64 0.403 6.120 5.946 1.00 0.00 C ATOM 961 C MET A 64 -0.330 6.848 7.082 1.00 0.00 C ATOM 962 O MET A 64 0.296 7.460 7.931 1.00 0.00 O ATOM 963 CB MET A 64 0.167 6.865 4.626 1.00 0.00 C ATOM 964 CG MET A 64 1.040 8.125 4.578 1.00 0.00 C ATOM 965 SD MET A 64 1.963 8.158 3.020 1.00 0.00 S ATOM 966 CE MET A 64 3.624 8.056 3.733 1.00 0.00 C ATOM 0 H MET A 64 -0.759 4.561 5.069 1.00 0.00 H new ATOM 0 HA MET A 64 1.470 6.097 6.168 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.404 6.215 3.784 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.885 7.136 4.534 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.417 9.016 4.664 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.729 8.136 5.422 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.328 7.727 2.969 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.922 9.037 4.103 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.623 7.343 4.557 1.00 0.00 H new ATOM 976 N ASP A 65 -1.651 6.800 7.082 1.00 0.00 N ATOM 977 CA ASP A 65 -2.451 7.506 8.139 1.00 0.00 C ATOM 978 C ASP A 65 -2.501 6.680 9.429 1.00 0.00 C ATOM 979 O ASP A 65 -2.737 7.225 10.495 1.00 0.00 O ATOM 980 CB ASP A 65 -3.873 7.876 7.634 1.00 0.00 C ATOM 981 CG ASP A 65 -3.786 8.408 6.201 1.00 0.00 C ATOM 982 OD1 ASP A 65 -3.075 9.377 5.992 1.00 0.00 O ATOM 983 OD2 ASP A 65 -4.432 7.836 5.337 1.00 0.00 O ATOM 0 H ASP A 65 -2.208 6.298 6.390 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.946 8.444 8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.522 7.001 7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.317 8.628 8.286 1.00 0.00 H new ATOM 988 N GLY A 66 -2.295 5.373 9.344 1.00 0.00 N ATOM 989 CA GLY A 66 -2.349 4.519 10.571 1.00 0.00 C ATOM 990 C GLY A 66 -3.809 4.187 10.903 1.00 0.00 C ATOM 991 O GLY A 66 -4.705 4.980 10.666 1.00 0.00 O ATOM 0 H GLY A 66 -2.094 4.873 8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.784 3.601 10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.884 5.039 11.409 1.00 0.00 H new ATOM 995 N VAL A 67 -4.035 3.014 11.446 1.00 0.00 N ATOM 996 CA VAL A 67 -5.416 2.560 11.816 1.00 0.00 C ATOM 997 C VAL A 67 -5.480 2.320 13.324 1.00 0.00 C ATOM 998 O VAL A 67 -4.462 2.178 13.977 1.00 0.00 O ATOM 999 CB VAL A 67 -5.767 1.275 11.056 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.691 0.216 11.306 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -7.130 0.736 11.510 1.00 0.00 C ATOM 0 H VAL A 67 -3.302 2.335 11.653 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.138 3.330 11.544 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.816 1.504 9.991 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.944 -0.695 10.764 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.727 0.588 10.959 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.634 -0.000 12.373 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.362 -0.176 10.960 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.098 0.518 12.577 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.900 1.483 11.316 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.672 2.293 13.874 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.835 2.078 15.340 1.00 0.00 C ATOM 1013 C VAL A 68 -7.520 0.727 15.560 1.00 0.00 C ATOM 1014 O VAL A 68 -8.134 0.173 14.663 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.647 3.232 15.956 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -8.049 2.908 17.404 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.777 4.491 15.961 1.00 0.00 C ATOM 0 H VAL A 68 -7.545 2.412 13.360 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.863 2.066 15.834 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.551 3.381 15.365 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.622 3.738 17.817 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.658 2.004 17.419 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.153 2.751 18.004 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.338 5.319 16.395 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.880 4.311 16.553 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.493 4.741 14.939 1.00 0.00 H new ATOM 1027 N THR A 69 -7.341 0.182 16.737 1.00 0.00 N ATOM 1028 CA THR A 69 -7.878 -1.165 17.069 1.00 0.00 C ATOM 1029 C THR A 69 -8.906 -1.081 18.192 1.00 0.00 C ATOM 1030 O THR A 69 -8.994 -0.106 18.913 1.00 0.00 O ATOM 1031 CB THR A 69 -6.730 -2.096 17.472 1.00 0.00 C ATOM 1032 OG1 THR A 69 -5.986 -1.509 18.523 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.816 -2.323 16.269 1.00 0.00 C ATOM 0 H THR A 69 -6.831 0.630 17.498 1.00 0.00 H new ATOM 0 HA THR A 69 -8.374 -1.567 16.186 1.00 0.00 H new ATOM 0 HB THR A 69 -7.139 -3.049 17.808 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.626 -0.647 18.227 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.998 -2.985 16.553 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.387 -2.778 15.459 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.410 -1.368 15.935 1.00 0.00 H new ATOM 1041 N SER A 70 -9.712 -2.104 18.277 1.00 0.00 N ATOM 1042 CA SER A 70 -10.811 -2.188 19.285 1.00 0.00 C ATOM 1043 C SER A 70 -10.258 -2.235 20.714 1.00 0.00 C ATOM 1044 O SER A 70 -10.976 -1.980 21.667 1.00 0.00 O ATOM 1045 CB SER A 70 -11.609 -3.456 18.993 1.00 0.00 C ATOM 1046 OG SER A 70 -12.724 -3.533 19.872 1.00 0.00 O ATOM 0 H SER A 70 -9.651 -2.917 17.665 1.00 0.00 H new ATOM 0 HA SER A 70 -11.442 -1.302 19.212 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.949 -3.453 17.958 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.974 -4.333 19.117 1.00 0.00 H new ATOM 0 HG SER A 70 -13.235 -4.347 19.681 1.00 0.00 H new ATOM 1052 N SER A 71 -8.994 -2.550 20.860 1.00 0.00 N ATOM 1053 CA SER A 71 -8.362 -2.613 22.217 1.00 0.00 C ATOM 1054 C SER A 71 -7.859 -1.222 22.628 1.00 0.00 C ATOM 1055 O SER A 71 -7.547 -0.996 23.787 1.00 0.00 O ATOM 1056 CB SER A 71 -7.186 -3.592 22.194 1.00 0.00 C ATOM 1057 OG SER A 71 -6.472 -3.451 20.975 1.00 0.00 O ATOM 0 H SER A 71 -8.365 -2.769 20.087 1.00 0.00 H new ATOM 0 HA SER A 71 -9.106 -2.953 22.937 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.524 -3.401 23.039 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.549 -4.614 22.298 1.00 0.00 H new ATOM 0 HG SER A 71 -5.718 -4.077 20.963 1.00 0.00 H new ATOM 1063 N GLY A 72 -7.769 -0.298 21.689 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.276 1.082 22.007 1.00 0.00 C ATOM 1065 C GLY A 72 -5.807 1.217 21.567 1.00 0.00 C ATOM 1066 O GLY A 72 -5.138 2.165 21.946 1.00 0.00 O ATOM 0 H GLY A 72 -8.019 -0.447 20.711 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.889 1.825 21.497 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.366 1.274 23.076 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.303 0.281 20.769 1.00 0.00 N ATOM 1071 CA GLN A 73 -3.879 0.353 20.299 1.00 0.00 C ATOM 1072 C GLN A 73 -3.864 0.782 18.833 1.00 0.00 C ATOM 1073 O GLN A 73 -4.853 0.644 18.148 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.211 -1.015 20.455 1.00 0.00 C ATOM 1075 CG GLN A 73 -3.132 -1.369 21.942 1.00 0.00 C ATOM 1076 CD GLN A 73 -2.240 -2.597 22.134 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -2.514 -3.651 21.597 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -1.177 -2.506 22.886 1.00 0.00 N ATOM 0 H GLN A 73 -5.825 -0.526 20.428 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.328 1.079 20.897 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.779 -1.774 19.918 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.212 -0.997 20.019 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.732 -0.526 22.506 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.130 -1.568 22.332 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.946 -1.621 23.338 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.577 -3.320 23.022 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.763 1.313 18.349 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.706 1.766 16.930 1.00 0.00 C ATOM 1089 C HIS A 74 -1.719 0.885 16.178 1.00 0.00 C ATOM 1090 O HIS A 74 -0.826 0.304 16.771 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.212 3.207 16.880 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.308 4.159 17.278 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -3.440 5.410 16.693 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -4.324 4.070 18.199 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -4.497 6.015 17.263 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -5.073 5.243 18.186 1.00 0.00 N ATOM 0 H HIS A 74 -1.903 1.450 18.881 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.696 1.700 16.480 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.359 3.328 17.547 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.866 3.443 15.874 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.513 3.219 18.836 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.839 7.006 17.005 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.887 5.465 18.759 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.894 0.778 14.882 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.998 -0.076 14.050 1.00 0.00 C ATOM 1106 C GLU A 75 -0.638 0.661 12.768 1.00 0.00 C ATOM 1107 O GLU A 75 -1.039 1.796 12.561 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.697 -1.397 13.705 1.00 0.00 C ATOM 1109 CG GLU A 75 -2.314 -2.016 14.965 1.00 0.00 C ATOM 1110 CD GLU A 75 -1.209 -2.635 15.826 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -0.229 -1.957 16.079 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -1.360 -3.780 16.213 1.00 0.00 O ATOM 0 H GLU A 75 -2.631 1.254 14.362 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.091 -0.292 14.614 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.473 -1.222 12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.982 -2.091 13.263 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.848 -1.254 15.533 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.044 -2.777 14.689 1.00 0.00 H new ATOM 1119 N GLY A 76 0.138 0.024 11.913 1.00 0.00 N ATOM 1120 CA GLY A 76 0.567 0.670 10.636 1.00 0.00 C ATOM 1121 C GLY A 76 1.246 1.999 10.965 1.00 0.00 C ATOM 1122 O GLY A 76 1.881 2.136 11.999 1.00 0.00 O ATOM 0 H GLY A 76 0.492 -0.923 12.052 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.253 0.019 10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.294 0.835 9.988 1.00 0.00 H new ATOM 1126 N ARG A 77 1.098 2.973 10.101 1.00 0.00 N ATOM 1127 CA ARG A 77 1.710 4.323 10.343 1.00 0.00 C ATOM 1128 C ARG A 77 3.225 4.178 10.592 1.00 0.00 C ATOM 1129 O ARG A 77 3.840 5.040 11.204 1.00 0.00 O ATOM 1130 CB ARG A 77 1.042 4.953 11.575 1.00 0.00 C ATOM 1131 CG ARG A 77 0.756 6.438 11.315 1.00 0.00 C ATOM 1132 CD ARG A 77 1.791 7.304 12.041 1.00 0.00 C ATOM 1133 NE ARG A 77 1.372 7.499 13.458 1.00 0.00 N ATOM 1134 CZ ARG A 77 2.065 8.279 14.243 1.00 0.00 C ATOM 1135 NH1 ARG A 77 1.812 9.559 14.280 1.00 0.00 N ATOM 1136 NH2 ARG A 77 3.009 7.779 14.994 1.00 0.00 N ATOM 0 H ARG A 77 0.575 2.892 9.229 1.00 0.00 H new ATOM 0 HA ARG A 77 1.557 4.957 9.470 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.113 4.430 11.803 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.690 4.846 12.445 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.786 6.641 10.244 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.247 6.690 11.659 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.770 6.827 12.003 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.887 8.269 11.543 1.00 0.00 H new ATOM 0 HE ARG A 77 0.543 7.023 13.815 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.073 9.950 13.696 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.353 10.168 14.893 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.205 6.778 14.968 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.550 8.389 15.607 1.00 0.00 H new ATOM 1150 N LEU A 78 3.822 3.089 10.133 1.00 0.00 N ATOM 1151 CA LEU A 78 5.280 2.865 10.347 1.00 0.00 C ATOM 1152 C LEU A 78 6.097 3.612 9.285 1.00 0.00 C ATOM 1153 O LEU A 78 7.293 3.789 9.457 1.00 0.00 O ATOM 1154 CB LEU A 78 5.578 1.356 10.291 1.00 0.00 C ATOM 1155 CG LEU A 78 5.940 0.850 11.691 1.00 0.00 C ATOM 1156 CD1 LEU A 78 4.713 0.952 12.599 1.00 0.00 C ATOM 1157 CD2 LEU A 78 6.393 -0.612 11.610 1.00 0.00 C ATOM 0 H LEU A 78 3.348 2.348 9.617 1.00 0.00 H new ATOM 0 HA LEU A 78 5.563 3.250 11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.709 0.818 9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.399 1.163 9.600 1.00 0.00 H new ATOM 0 HG LEU A 78 6.749 1.457 12.098 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.967 0.593 13.596 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.390 1.991 12.659 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.906 0.345 12.189 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.650 -0.969 12.607 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.586 -1.221 11.203 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.266 -0.687 10.962 1.00 0.00 H new ATOM 1169 N LEU A 79 5.473 4.073 8.203 1.00 0.00 N ATOM 1170 CA LEU A 79 6.234 4.827 7.156 1.00 0.00 C ATOM 1171 C LEU A 79 6.799 6.098 7.800 1.00 0.00 C ATOM 1172 O LEU A 79 6.128 7.119 7.875 1.00 0.00 O ATOM 1173 CB LEU A 79 5.297 5.196 6.000 1.00 0.00 C ATOM 1174 CG LEU A 79 4.802 3.920 5.317 1.00 0.00 C ATOM 1175 CD1 LEU A 79 3.358 4.119 4.854 1.00 0.00 C ATOM 1176 CD2 LEU A 79 5.687 3.614 4.104 1.00 0.00 C ATOM 0 H LEU A 79 4.478 3.954 8.013 1.00 0.00 H new ATOM 0 HA LEU A 79 7.045 4.215 6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.451 5.773 6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.820 5.827 5.281 1.00 0.00 H new ATOM 0 HG LEU A 79 4.849 3.089 6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.004 3.211 4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.727 4.339 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.313 4.950 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.335 2.705 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.639 4.445 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.717 3.474 4.431 1.00 0.00 H new ATOM 1188 N GLN A 80 8.018 6.025 8.291 1.00 0.00 N ATOM 1189 CA GLN A 80 8.642 7.202 8.966 1.00 0.00 C ATOM 1190 C GLN A 80 10.077 7.399 8.487 1.00 0.00 C ATOM 1191 O GLN A 80 10.566 6.696 7.620 1.00 0.00 O ATOM 1192 CB GLN A 80 8.648 6.976 10.480 1.00 0.00 C ATOM 1193 CG GLN A 80 7.219 6.717 10.971 1.00 0.00 C ATOM 1194 CD GLN A 80 6.993 7.438 12.303 1.00 0.00 C ATOM 1195 OE1 GLN A 80 6.112 8.267 12.416 1.00 0.00 O ATOM 1196 NE2 GLN A 80 7.757 7.156 13.323 1.00 0.00 N ATOM 0 H GLN A 80 8.607 5.193 8.250 1.00 0.00 H new ATOM 0 HA GLN A 80 8.061 8.091 8.720 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.287 6.128 10.728 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.064 7.848 10.986 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.500 7.067 10.230 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.054 5.646 11.093 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.497 6.460 13.229 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.614 7.631 14.214 1.00 0.00 H new ATOM 1205 N ASP A 81 10.736 8.373 9.066 1.00 0.00 N ATOM 1206 CA ASP A 81 12.147 8.710 8.708 1.00 0.00 C ATOM 1207 C ASP A 81 13.031 7.456 8.659 1.00 0.00 C ATOM 1208 O ASP A 81 13.053 6.650 9.574 1.00 0.00 O ATOM 1209 CB ASP A 81 12.707 9.672 9.762 1.00 0.00 C ATOM 1210 CG ASP A 81 12.160 11.078 9.513 1.00 0.00 C ATOM 1211 OD1 ASP A 81 10.954 11.246 9.596 1.00 0.00 O ATOM 1212 OD2 ASP A 81 12.955 11.963 9.245 1.00 0.00 O ATOM 0 H ASP A 81 10.340 8.966 9.795 1.00 0.00 H new ATOM 0 HA ASP A 81 12.150 9.168 7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.430 9.335 10.761 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.796 9.681 9.719 1.00 0.00 H new ATOM 1217 N LEU A 82 13.779 7.337 7.595 1.00 0.00 N ATOM 1218 CA LEU A 82 14.732 6.199 7.398 1.00 0.00 C ATOM 1219 C LEU A 82 16.101 6.803 7.025 1.00 0.00 C ATOM 1220 O LEU A 82 16.167 7.985 6.713 1.00 0.00 O ATOM 1221 CB LEU A 82 14.219 5.294 6.268 1.00 0.00 C ATOM 1222 CG LEU A 82 13.175 4.310 6.807 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.538 3.549 5.639 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.854 3.301 7.738 1.00 0.00 C ATOM 0 H LEU A 82 13.770 8.006 6.825 1.00 0.00 H new ATOM 0 HA LEU A 82 14.820 5.598 8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.781 5.902 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.051 4.746 5.826 1.00 0.00 H new ATOM 0 HG LEU A 82 12.411 4.863 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.796 2.849 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.056 4.256 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.309 3.000 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.111 2.602 8.121 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.617 2.753 7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.318 3.829 8.571 1.00 0.00 H new ATOM 1236 N PRO A 83 17.165 6.010 7.061 1.00 0.00 N ATOM 1237 CA PRO A 83 18.507 6.525 6.725 1.00 0.00 C ATOM 1238 C PRO A 83 18.587 6.861 5.236 1.00 0.00 C ATOM 1239 O PRO A 83 18.794 5.998 4.401 1.00 0.00 O ATOM 1240 CB PRO A 83 19.454 5.388 7.120 1.00 0.00 C ATOM 1241 CG PRO A 83 18.597 4.105 7.155 1.00 0.00 C ATOM 1242 CD PRO A 83 17.148 4.564 7.410 1.00 0.00 C ATOM 0 HA PRO A 83 18.760 7.450 7.244 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.268 5.293 6.402 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.908 5.580 8.092 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.673 3.560 6.214 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.936 3.431 7.942 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.439 4.012 6.792 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.856 4.407 8.448 1.00 0.00 H new ATOM 1250 N GLY A 84 18.424 8.131 4.922 1.00 0.00 N ATOM 1251 CA GLY A 84 18.484 8.601 3.507 1.00 0.00 C ATOM 1252 C GLY A 84 17.089 8.570 2.857 1.00 0.00 C ATOM 1253 O GLY A 84 16.977 8.797 1.665 1.00 0.00 O ATOM 0 H GLY A 84 18.249 8.869 5.604 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.883 9.615 3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.168 7.970 2.939 1.00 0.00 H new ATOM 1257 N CYS A 85 16.030 8.290 3.615 1.00 0.00 N ATOM 1258 CA CYS A 85 14.655 8.240 2.999 1.00 0.00 C ATOM 1259 C CYS A 85 13.620 8.915 3.947 1.00 0.00 C ATOM 1260 O CYS A 85 13.082 8.250 4.817 1.00 0.00 O ATOM 1261 CB CYS A 85 14.229 6.777 2.768 1.00 0.00 C ATOM 1262 SG CYS A 85 15.641 5.769 2.255 1.00 0.00 S ATOM 0 H CYS A 85 16.065 8.098 4.616 1.00 0.00 H new ATOM 0 HA CYS A 85 14.687 8.770 2.047 1.00 0.00 H new ATOM 0 HB2 CYS A 85 13.799 6.370 3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.451 6.736 2.005 1.00 0.00 H new ATOM 1267 N PRO A 86 13.362 10.213 3.772 1.00 0.00 N ATOM 1268 CA PRO A 86 12.394 10.945 4.631 1.00 0.00 C ATOM 1269 C PRO A 86 10.950 10.584 4.271 1.00 0.00 C ATOM 1270 O PRO A 86 10.689 10.028 3.218 1.00 0.00 O ATOM 1271 CB PRO A 86 12.657 12.420 4.316 1.00 0.00 C ATOM 1272 CG PRO A 86 13.355 12.459 2.941 1.00 0.00 C ATOM 1273 CD PRO A 86 13.978 11.066 2.721 1.00 0.00 C ATOM 0 HA PRO A 86 12.518 10.701 5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.724 12.984 4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.285 12.874 5.082 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.641 12.693 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.121 13.234 2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.759 10.686 1.723 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.063 11.096 2.820 1.00 0.00 H new ATOM 1281 N ARG A 87 10.010 10.928 5.138 1.00 0.00 N ATOM 1282 CA ARG A 87 8.566 10.651 4.873 1.00 0.00 C ATOM 1283 C ARG A 87 8.159 11.227 3.527 1.00 0.00 C ATOM 1284 O ARG A 87 7.195 10.796 2.927 1.00 0.00 O ATOM 1285 CB ARG A 87 7.721 11.341 5.928 1.00 0.00 C ATOM 1286 CG ARG A 87 7.882 10.580 7.212 1.00 0.00 C ATOM 1287 CD ARG A 87 6.907 11.104 8.268 1.00 0.00 C ATOM 1288 NE ARG A 87 5.512 10.746 7.883 1.00 0.00 N ATOM 1289 CZ ARG A 87 4.616 10.526 8.807 1.00 0.00 C ATOM 1290 NH1 ARG A 87 4.790 9.564 9.671 1.00 0.00 N ATOM 1291 NH2 ARG A 87 3.543 11.267 8.868 1.00 0.00 N ATOM 0 H ARG A 87 10.195 11.394 6.026 1.00 0.00 H new ATOM 0 HA ARG A 87 8.416 9.572 4.887 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.038 12.376 6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.674 11.363 5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.704 9.519 7.038 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.906 10.676 7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.147 10.678 9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.003 12.186 8.361 1.00 0.00 H new ATOM 0 HE ARG A 87 5.257 10.673 6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.627 8.983 9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.089 9.393 10.392 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.404 12.019 8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.844 11.094 9.590 1.00 0.00 H new ATOM 1305 N GLN A 88 8.861 12.244 3.100 1.00 0.00 N ATOM 1306 CA GLN A 88 8.514 12.939 1.813 1.00 0.00 C ATOM 1307 C GLN A 88 8.655 12.003 0.594 1.00 0.00 C ATOM 1308 O GLN A 88 7.793 11.991 -0.272 1.00 0.00 O ATOM 1309 CB GLN A 88 9.429 14.163 1.636 1.00 0.00 C ATOM 1310 CG GLN A 88 8.593 15.448 1.631 1.00 0.00 C ATOM 1311 CD GLN A 88 8.188 15.786 0.195 1.00 0.00 C ATOM 1312 OE1 GLN A 88 9.023 16.129 -0.618 1.00 0.00 O ATOM 1313 NE2 GLN A 88 6.933 15.709 -0.153 1.00 0.00 N ATOM 0 H GLN A 88 9.669 12.630 3.589 1.00 0.00 H new ATOM 0 HA GLN A 88 7.471 13.250 1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.161 14.199 2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.986 14.079 0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.705 15.320 2.250 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.166 16.269 2.062 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.231 15.421 0.529 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.653 15.937 -1.107 1.00 0.00 H new ATOM 1322 N VAL A 89 9.739 11.256 0.501 1.00 0.00 N ATOM 1323 CA VAL A 89 9.962 10.365 -0.676 1.00 0.00 C ATOM 1324 C VAL A 89 9.028 9.158 -0.634 1.00 0.00 C ATOM 1325 O VAL A 89 8.452 8.782 -1.647 1.00 0.00 O ATOM 1326 CB VAL A 89 11.417 9.912 -0.649 1.00 0.00 C ATOM 1327 CG1 VAL A 89 11.737 9.082 -1.891 1.00 0.00 C ATOM 1328 CG2 VAL A 89 12.301 11.144 -0.621 1.00 0.00 C ATOM 0 H VAL A 89 10.481 11.231 1.201 1.00 0.00 H new ATOM 0 HA VAL A 89 9.748 10.907 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 89 11.593 9.297 0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.779 8.765 -1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.092 8.204 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.568 9.684 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.348 10.840 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.114 11.746 -1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.077 11.732 0.269 1.00 0.00 H new ATOM 1338 N GLN A 90 8.872 8.554 0.523 1.00 0.00 N ATOM 1339 CA GLN A 90 7.971 7.365 0.633 1.00 0.00 C ATOM 1340 C GLN A 90 6.518 7.818 0.484 1.00 0.00 C ATOM 1341 O GLN A 90 5.671 7.059 0.046 1.00 0.00 O ATOM 1342 CB GLN A 90 8.176 6.665 1.985 1.00 0.00 C ATOM 1343 CG GLN A 90 7.877 7.626 3.139 1.00 0.00 C ATOM 1344 CD GLN A 90 8.682 7.197 4.367 1.00 0.00 C ATOM 1345 OE1 GLN A 90 8.120 6.829 5.379 1.00 0.00 O ATOM 1346 NE2 GLN A 90 9.985 7.229 4.319 1.00 0.00 N ATOM 0 H GLN A 90 9.329 8.834 1.391 1.00 0.00 H new ATOM 0 HA GLN A 90 8.210 6.655 -0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.525 5.794 2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.201 6.303 2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.137 8.646 2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.811 7.620 3.367 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.457 7.538 3.469 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.532 6.945 5.131 1.00 0.00 H new ATOM 1355 N ARG A 91 6.239 9.056 0.836 1.00 0.00 N ATOM 1356 CA ARG A 91 4.847 9.598 0.720 1.00 0.00 C ATOM 1357 C ARG A 91 4.548 9.978 -0.731 1.00 0.00 C ATOM 1358 O ARG A 91 3.406 9.945 -1.156 1.00 0.00 O ATOM 1359 CB ARG A 91 4.696 10.830 1.617 1.00 0.00 C ATOM 1360 CG ARG A 91 3.234 11.295 1.616 1.00 0.00 C ATOM 1361 CD ARG A 91 2.822 11.699 3.033 1.00 0.00 C ATOM 1362 NE ARG A 91 1.341 11.618 3.161 1.00 0.00 N ATOM 1363 CZ ARG A 91 0.756 12.028 4.252 1.00 0.00 C ATOM 1364 NH1 ARG A 91 1.224 11.675 5.417 1.00 0.00 N ATOM 1365 NH2 ARG A 91 -0.296 12.795 4.178 1.00 0.00 N ATOM 0 H ARG A 91 6.924 9.717 1.201 1.00 0.00 H new ATOM 0 HA ARG A 91 4.142 8.830 1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.011 10.593 2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.343 11.632 1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.111 12.138 0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.588 10.496 1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.297 11.043 3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.161 12.712 3.247 1.00 0.00 H new ATOM 0 HE ARG A 91 0.783 11.241 2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.049 11.078 5.476 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.765 11.996 6.270 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.661 13.074 3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.754 13.116 5.031 1.00 0.00 H new ATOM 1379 N ALA A 92 5.562 10.357 -1.484 1.00 0.00 N ATOM 1380 CA ALA A 92 5.351 10.758 -2.910 1.00 0.00 C ATOM 1381 C ALA A 92 5.167 9.514 -3.791 1.00 0.00 C ATOM 1382 O ALA A 92 4.271 9.464 -4.616 1.00 0.00 O ATOM 1383 CB ALA A 92 6.568 11.551 -3.395 1.00 0.00 C ATOM 0 H ALA A 92 6.530 10.404 -1.165 1.00 0.00 H new ATOM 0 HA ALA A 92 4.454 11.374 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.420 11.846 -4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.691 12.442 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.461 10.931 -3.318 1.00 0.00 H new ATOM 1389 N PHE A 93 6.026 8.528 -3.630 1.00 0.00 N ATOM 1390 CA PHE A 93 5.946 7.275 -4.460 1.00 0.00 C ATOM 1391 C PHE A 93 4.848 6.322 -3.940 1.00 0.00 C ATOM 1392 O PHE A 93 4.326 5.514 -4.691 1.00 0.00 O ATOM 1393 CB PHE A 93 7.307 6.570 -4.404 1.00 0.00 C ATOM 1394 CG PHE A 93 7.273 5.279 -5.199 1.00 0.00 C ATOM 1395 CD1 PHE A 93 7.304 5.318 -6.597 1.00 0.00 C ATOM 1396 CD2 PHE A 93 7.206 4.048 -4.533 1.00 0.00 C ATOM 1397 CE1 PHE A 93 7.269 4.127 -7.331 1.00 0.00 C ATOM 1398 CE2 PHE A 93 7.170 2.857 -5.267 1.00 0.00 C ATOM 1399 CZ PHE A 93 7.202 2.896 -6.667 1.00 0.00 C ATOM 0 H PHE A 93 6.787 8.538 -2.951 1.00 0.00 H new ATOM 0 HA PHE A 93 5.692 7.546 -5.485 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.080 7.228 -4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.571 6.358 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.355 6.267 -7.110 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.182 4.018 -3.454 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.294 4.157 -8.410 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.118 1.908 -4.754 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.175 1.977 -7.234 1.00 0.00 H new ATOM 1409 N ALA A 94 4.543 6.380 -2.663 1.00 0.00 N ATOM 1410 CA ALA A 94 3.527 5.451 -2.057 1.00 0.00 C ATOM 1411 C ALA A 94 2.139 5.476 -2.761 1.00 0.00 C ATOM 1412 O ALA A 94 1.582 4.416 -2.983 1.00 0.00 O ATOM 1413 CB ALA A 94 3.336 5.808 -0.582 1.00 0.00 C ATOM 0 H ALA A 94 4.959 7.039 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 94 3.923 4.444 -2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.600 5.138 -0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.285 5.704 -0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.986 6.837 -0.499 1.00 0.00 H new ATOM 1419 N PRO A 95 1.585 6.654 -3.050 1.00 0.00 N ATOM 1420 CA PRO A 95 0.233 6.766 -3.667 1.00 0.00 C ATOM 1421 C PRO A 95 0.172 6.297 -5.131 1.00 0.00 C ATOM 1422 O PRO A 95 -0.892 6.322 -5.730 1.00 0.00 O ATOM 1423 CB PRO A 95 -0.105 8.255 -3.543 1.00 0.00 C ATOM 1424 CG PRO A 95 1.236 8.996 -3.371 1.00 0.00 C ATOM 1425 CD PRO A 95 2.231 7.966 -2.807 1.00 0.00 C ATOM 0 HA PRO A 95 -0.480 6.113 -3.164 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.632 8.608 -4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.759 8.434 -2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 95 1.586 9.393 -4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.128 9.843 -2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.197 8.032 -3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.411 8.129 -1.744 1.00 0.00 H new ATOM 1433 N LYS A 96 1.275 5.856 -5.704 1.00 0.00 N ATOM 1434 CA LYS A 96 1.252 5.368 -7.126 1.00 0.00 C ATOM 1435 C LYS A 96 1.572 3.860 -7.166 1.00 0.00 C ATOM 1436 O LYS A 96 2.063 3.347 -8.160 1.00 0.00 O ATOM 1437 CB LYS A 96 2.286 6.149 -7.947 1.00 0.00 C ATOM 1438 CG LYS A 96 1.749 7.555 -8.264 1.00 0.00 C ATOM 1439 CD LYS A 96 1.488 7.689 -9.769 1.00 0.00 C ATOM 1440 CE LYS A 96 0.022 7.366 -10.069 1.00 0.00 C ATOM 1441 NZ LYS A 96 -0.762 8.633 -10.142 1.00 0.00 N ATOM 0 H LYS A 96 2.187 5.814 -5.249 1.00 0.00 H new ATOM 0 HA LYS A 96 0.261 5.527 -7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.222 6.224 -7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.505 5.617 -8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.828 7.735 -7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.468 8.309 -7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.723 8.701 -10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.140 7.013 -10.323 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.056 6.823 -11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.385 6.718 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.758 8.414 -10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.697 9.134 -9.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.379 9.235 -10.898 1.00 0.00 H new ATOM 1455 N LEU A 97 1.327 3.163 -6.072 1.00 0.00 N ATOM 1456 CA LEU A 97 1.642 1.689 -5.990 1.00 0.00 C ATOM 1457 C LEU A 97 0.662 0.779 -6.789 1.00 0.00 C ATOM 1458 O LEU A 97 1.046 -0.324 -7.142 1.00 0.00 O ATOM 1459 CB LEU A 97 1.616 1.265 -4.519 1.00 0.00 C ATOM 1460 CG LEU A 97 2.689 0.193 -4.263 1.00 0.00 C ATOM 1461 CD1 LEU A 97 3.449 0.524 -2.977 1.00 0.00 C ATOM 1462 CD2 LEU A 97 2.024 -1.179 -4.114 1.00 0.00 C ATOM 0 H LEU A 97 0.918 3.556 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 97 2.625 1.556 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.794 2.130 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.631 0.875 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 97 3.382 0.174 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.209 -0.237 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.928 1.498 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.753 0.547 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.787 -1.936 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.329 -1.157 -3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.482 -1.422 -5.028 1.00 0.00 H new ATOM 1474 N VAL A 98 -0.581 1.184 -7.066 1.00 0.00 N ATOM 1475 CA VAL A 98 -1.525 0.285 -7.819 1.00 0.00 C ATOM 1476 C VAL A 98 -1.477 0.569 -9.328 1.00 0.00 C ATOM 1477 O VAL A 98 -2.435 0.319 -10.048 1.00 0.00 O ATOM 1478 CB VAL A 98 -2.944 0.505 -7.309 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -2.997 0.166 -5.832 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -3.375 1.967 -7.525 1.00 0.00 C ATOM 0 H VAL A 98 -0.967 2.090 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.221 -0.749 -7.655 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.627 -0.140 -7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.010 0.321 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.713 -0.876 -5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.307 0.809 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.391 2.105 -7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.699 2.629 -6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.341 2.203 -8.589 1.00 0.00 H new ATOM 1490 N THR A 99 -0.374 1.085 -9.802 1.00 0.00 N ATOM 1491 CA THR A 99 -0.240 1.392 -11.265 1.00 0.00 C ATOM 1492 C THR A 99 0.514 0.250 -11.951 1.00 0.00 C ATOM 1493 O THR A 99 0.994 -0.651 -11.285 1.00 0.00 O ATOM 1494 CB THR A 99 0.532 2.711 -11.459 1.00 0.00 C ATOM 1495 OG1 THR A 99 1.916 2.514 -11.186 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.011 3.771 -10.508 1.00 0.00 C ATOM 0 H THR A 99 0.447 1.310 -9.239 1.00 0.00 H new ATOM 0 HA THR A 99 -1.232 1.496 -11.705 1.00 0.00 H new ATOM 0 HB THR A 99 0.407 3.039 -12.491 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.098 2.730 -10.248 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.538 4.702 -10.649 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.068 3.938 -10.715 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.108 3.432 -9.479 1.00 0.00 H new ATOM 1504 N GLU A 100 0.613 0.267 -13.269 1.00 0.00 N ATOM 1505 CA GLU A 100 1.336 -0.829 -13.985 1.00 0.00 C ATOM 1506 C GLU A 100 2.835 -0.904 -13.585 1.00 0.00 C ATOM 1507 O GLU A 100 3.534 -1.772 -14.082 1.00 0.00 O ATOM 1508 CB GLU A 100 1.223 -0.596 -15.493 1.00 0.00 C ATOM 1509 CG GLU A 100 -0.254 -0.548 -15.891 1.00 0.00 C ATOM 1510 CD GLU A 100 -0.418 -1.054 -17.326 1.00 0.00 C ATOM 1511 OE1 GLU A 100 -0.445 -2.261 -17.509 1.00 0.00 O ATOM 1512 OE2 GLU A 100 -0.514 -0.227 -18.218 1.00 0.00 O ATOM 0 H GLU A 100 0.223 0.993 -13.871 1.00 0.00 H new ATOM 0 HA GLU A 100 0.875 -1.776 -13.703 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.715 0.338 -15.766 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.731 -1.394 -16.034 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.844 -1.160 -15.209 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.630 0.472 -15.810 1.00 0.00 H new ATOM 1519 N VAL A 101 3.351 -0.024 -12.712 1.00 0.00 N ATOM 1520 CA VAL A 101 4.799 -0.098 -12.336 1.00 0.00 C ATOM 1521 C VAL A 101 4.980 -0.799 -10.978 1.00 0.00 C ATOM 1522 O VAL A 101 6.091 -0.869 -10.478 1.00 0.00 O ATOM 1523 CB VAL A 101 5.378 1.320 -12.253 1.00 0.00 C ATOM 1524 CG1 VAL A 101 6.889 1.252 -12.008 1.00 0.00 C ATOM 1525 CG2 VAL A 101 5.119 2.062 -13.567 1.00 0.00 C ATOM 0 H VAL A 101 2.824 0.724 -12.261 1.00 0.00 H new ATOM 0 HA VAL A 101 5.323 -0.674 -13.098 1.00 0.00 H new ATOM 0 HB VAL A 101 4.897 1.849 -11.430 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.294 2.262 -11.950 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.083 0.729 -11.071 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.367 0.716 -12.828 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.532 3.069 -13.504 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.595 1.525 -14.388 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.045 2.121 -13.746 1.00 0.00 H new ATOM 1535 N GLU A 102 3.914 -1.312 -10.371 1.00 0.00 N ATOM 1536 CA GLU A 102 4.066 -1.991 -9.040 1.00 0.00 C ATOM 1537 C GLU A 102 3.166 -3.242 -8.937 1.00 0.00 C ATOM 1538 O GLU A 102 3.599 -4.334 -9.267 1.00 0.00 O ATOM 1539 CB GLU A 102 3.734 -0.987 -7.928 1.00 0.00 C ATOM 1540 CG GLU A 102 4.991 -0.182 -7.569 1.00 0.00 C ATOM 1541 CD GLU A 102 5.574 -0.686 -6.246 1.00 0.00 C ATOM 1542 OE1 GLU A 102 5.896 -1.861 -6.173 1.00 0.00 O ATOM 1543 OE2 GLU A 102 5.691 0.114 -5.332 1.00 0.00 O ATOM 0 H GLU A 102 2.964 -1.286 -10.741 1.00 0.00 H new ATOM 0 HA GLU A 102 5.096 -2.330 -8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.941 -0.315 -8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.363 -1.513 -7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.732 -0.276 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.744 0.877 -7.488 1.00 0.00 H new ATOM 1550 N CYS A 103 1.938 -3.099 -8.464 1.00 0.00 N ATOM 1551 CA CYS A 103 1.020 -4.279 -8.308 1.00 0.00 C ATOM 1552 C CYS A 103 -0.433 -3.864 -8.639 1.00 0.00 C ATOM 1553 O CYS A 103 -1.366 -4.224 -7.932 1.00 0.00 O ATOM 1554 CB CYS A 103 1.108 -4.776 -6.858 1.00 0.00 C ATOM 1555 SG CYS A 103 2.582 -5.807 -6.665 1.00 0.00 S ATOM 0 H CYS A 103 1.535 -2.207 -8.179 1.00 0.00 H new ATOM 0 HA CYS A 103 1.316 -5.075 -8.992 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.151 -3.929 -6.173 1.00 0.00 H new ATOM 0 HB3 CYS A 103 0.215 -5.347 -6.603 1.00 0.00 H new ATOM 1560 N ASN A 104 -0.632 -3.091 -9.701 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.005 -2.622 -10.093 1.00 0.00 C ATOM 1562 C ASN A 104 -3.054 -3.737 -9.988 1.00 0.00 C ATOM 1563 O ASN A 104 -3.973 -3.636 -9.192 1.00 0.00 O ATOM 1564 CB ASN A 104 -1.965 -2.120 -11.541 1.00 0.00 C ATOM 1565 CG ASN A 104 -3.335 -1.569 -11.987 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -4.284 -1.527 -11.224 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -3.472 -1.141 -13.210 1.00 0.00 N ATOM 0 H ASN A 104 0.115 -2.766 -10.315 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.291 -1.827 -9.405 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.210 -1.340 -11.636 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.667 -2.934 -12.201 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.370 -0.773 -13.524 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.681 -1.174 -13.853 1.00 0.00 H new ATOM 1574 N LEU A 105 -2.934 -4.781 -10.798 1.00 0.00 N ATOM 1575 CA LEU A 105 -3.946 -5.902 -10.777 1.00 0.00 C ATOM 1576 C LEU A 105 -5.385 -5.318 -10.750 1.00 0.00 C ATOM 1577 O LEU A 105 -6.298 -5.916 -10.201 1.00 0.00 O ATOM 1578 CB LEU A 105 -3.710 -6.772 -9.530 1.00 0.00 C ATOM 1579 CG LEU A 105 -2.282 -7.324 -9.547 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -1.771 -7.474 -8.113 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -2.270 -8.694 -10.229 1.00 0.00 C ATOM 0 H LEU A 105 -2.178 -4.902 -11.471 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.832 -6.511 -11.674 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.871 -6.182 -8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.427 -7.593 -9.507 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.639 -6.635 -10.095 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.754 -7.867 -8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.777 -6.501 -7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.417 -8.161 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.253 -9.086 -10.240 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.917 -9.379 -9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.632 -8.594 -11.252 1.00 0.00 H new ATOM 1593 N ALA A 106 -5.572 -4.136 -11.327 1.00 0.00 N ATOM 1594 CA ALA A 106 -6.911 -3.466 -11.334 1.00 0.00 C ATOM 1595 C ALA A 106 -7.267 -3.075 -9.902 1.00 0.00 C ATOM 1596 O ALA A 106 -6.734 -3.628 -8.955 1.00 0.00 O ATOM 1597 CB ALA A 106 -7.976 -4.414 -11.897 1.00 0.00 C ATOM 0 H ALA A 106 -4.836 -3.609 -11.797 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.874 -2.578 -11.965 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.945 -3.914 -11.896 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.712 -4.693 -12.917 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.029 -5.310 -11.278 1.00 0.00 H new ATOM 1603 N THR A 107 -8.149 -2.114 -9.747 1.00 0.00 N ATOM 1604 CA THR A 107 -8.552 -1.648 -8.376 1.00 0.00 C ATOM 1605 C THR A 107 -10.091 -1.662 -8.305 1.00 0.00 C ATOM 1606 O THR A 107 -10.742 -2.250 -9.156 1.00 0.00 O ATOM 1607 CB THR A 107 -8.013 -0.209 -8.135 1.00 0.00 C ATOM 1608 OG1 THR A 107 -8.876 0.759 -8.724 1.00 0.00 O ATOM 1609 CG2 THR A 107 -6.636 -0.054 -8.780 1.00 0.00 C ATOM 0 H THR A 107 -8.611 -1.628 -10.516 1.00 0.00 H new ATOM 0 HA THR A 107 -8.137 -2.302 -7.609 1.00 0.00 H new ATOM 0 HB THR A 107 -7.957 -0.052 -7.058 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.367 1.573 -8.923 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.265 0.956 -8.607 1.00 0.00 H new ATOM 0 HG22 THR A 107 -5.946 -0.774 -8.341 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.714 -0.233 -9.852 1.00 0.00 H new ATOM 1617 N ILE A 108 -10.671 -0.995 -7.326 1.00 0.00 N ATOM 1618 CA ILE A 108 -12.166 -0.937 -7.238 1.00 0.00 C ATOM 1619 C ILE A 108 -12.672 -0.103 -8.425 1.00 0.00 C ATOM 1620 O ILE A 108 -13.736 -0.347 -8.966 1.00 0.00 O ATOM 1621 CB ILE A 108 -12.598 -0.290 -5.910 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -14.126 -0.292 -5.822 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -12.091 1.154 -5.829 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -14.558 0.025 -4.389 1.00 0.00 C ATOM 0 H ILE A 108 -10.174 -0.493 -6.591 1.00 0.00 H new ATOM 0 HA ILE A 108 -12.587 -1.942 -7.272 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.174 -0.861 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -14.541 0.445 -6.509 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -14.516 -1.264 -6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.405 1.597 -4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.003 1.161 -5.890 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.504 1.732 -6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -15.646 0.023 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -14.156 -0.729 -3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -14.180 1.007 -4.104 1.00 0.00 H new ATOM 1636 N HIS A 109 -11.886 0.882 -8.820 1.00 0.00 N ATOM 1637 CA HIS A 109 -12.242 1.777 -9.963 1.00 0.00 C ATOM 1638 C HIS A 109 -12.254 1.012 -11.307 1.00 0.00 C ATOM 1639 O HIS A 109 -12.608 1.586 -12.324 1.00 0.00 O ATOM 1640 CB HIS A 109 -11.198 2.903 -10.048 1.00 0.00 C ATOM 1641 CG HIS A 109 -11.295 3.797 -8.845 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -12.308 4.726 -8.703 1.00 0.00 N ATOM 1643 CD2 HIS A 109 -10.493 3.944 -7.737 1.00 0.00 C ATOM 1644 CE1 HIS A 109 -12.092 5.386 -7.554 1.00 0.00 C ATOM 1645 NE2 HIS A 109 -11.000 4.948 -6.925 1.00 0.00 N ATOM 0 H HIS A 109 -10.992 1.102 -8.381 1.00 0.00 H new ATOM 0 HA HIS A 109 -13.242 2.174 -9.787 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -10.197 2.476 -10.112 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -11.355 3.486 -10.956 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -9.604 3.366 -7.531 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -12.727 6.177 -7.183 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -10.620 5.280 -6.038 1.00 0.00 H new ATOM 1653 N GLY A 110 -11.870 -0.260 -11.330 1.00 0.00 N ATOM 1654 CA GLY A 110 -11.859 -1.035 -12.613 1.00 0.00 C ATOM 1655 C GLY A 110 -10.887 -0.383 -13.602 1.00 0.00 C ATOM 1656 O GLY A 110 -11.183 -0.275 -14.782 1.00 0.00 O ATOM 0 H GLY A 110 -11.566 -0.785 -10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.562 -2.067 -12.423 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.862 -1.065 -13.040 1.00 0.00 H new ATOM 1660 N GLY A 111 -9.735 0.049 -13.125 1.00 0.00 N ATOM 1661 CA GLY A 111 -8.722 0.701 -14.021 1.00 0.00 C ATOM 1662 C GLY A 111 -7.428 0.989 -13.233 1.00 0.00 C ATOM 1663 O GLY A 111 -7.411 0.836 -12.026 1.00 0.00 O ATOM 0 H GLY A 111 -9.455 -0.024 -12.147 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.504 0.052 -14.869 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.126 1.629 -14.425 1.00 0.00 H new ATOM 1667 N PRO A 112 -6.373 1.396 -13.940 1.00 0.00 N ATOM 1668 CA PRO A 112 -5.067 1.710 -13.314 1.00 0.00 C ATOM 1669 C PRO A 112 -5.087 3.094 -12.637 1.00 0.00 C ATOM 1670 O PRO A 112 -4.515 4.054 -13.139 1.00 0.00 O ATOM 1671 CB PRO A 112 -4.080 1.689 -14.493 1.00 0.00 C ATOM 1672 CG PRO A 112 -4.919 1.914 -15.773 1.00 0.00 C ATOM 1673 CD PRO A 112 -6.380 1.575 -15.416 1.00 0.00 C ATOM 0 HA PRO A 112 -4.802 1.004 -12.527 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.326 2.468 -14.382 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -3.551 0.737 -14.539 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -4.834 2.946 -16.114 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -4.563 1.280 -16.585 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -7.057 2.375 -15.715 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -6.712 0.670 -15.924 1.00 0.00 H new ATOM 1681 N PHE A 113 -5.716 3.190 -11.486 1.00 0.00 N ATOM 1682 CA PHE A 113 -5.753 4.493 -10.740 1.00 0.00 C ATOM 1683 C PHE A 113 -6.572 4.350 -9.451 1.00 0.00 C ATOM 1684 O PHE A 113 -7.417 3.477 -9.340 1.00 0.00 O ATOM 1685 CB PHE A 113 -6.339 5.619 -11.611 1.00 0.00 C ATOM 1686 CG PHE A 113 -7.687 5.240 -12.194 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -7.750 4.555 -13.413 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -8.872 5.610 -11.540 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -8.989 4.239 -13.982 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -10.113 5.286 -12.108 1.00 0.00 C ATOM 1691 CZ PHE A 113 -10.170 4.604 -13.331 1.00 0.00 C ATOM 0 H PHE A 113 -6.206 2.420 -11.030 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.727 4.757 -10.484 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -6.444 6.524 -11.012 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.646 5.850 -12.420 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.838 4.269 -13.917 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.829 6.143 -10.602 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -9.032 3.713 -14.924 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -11.026 5.563 -11.602 1.00 0.00 H new ATOM 0 HZ PHE A 113 -11.126 4.361 -13.770 1.00 0.00 H new