USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 HIS : no HD1:sc= 1.02 K(o=2.3,f=-5!) USER MOD Set 1.2: A 119 THR OG1 : rot 79:sc= 1.31 USER MOD Set 2.1: A 22 TYR OH : rot -22:sc= 1.51 USER MOD Set 2.2: A 102 HIS :FLIP no HD1:sc= -0.0473 F(o=-0.19,f=1.5) USER MOD Set 2.3: A 105 SER OG : rot -149:sc= 0.0594 USER MOD Set 3.1: A 28 HIS : no HD1:sc= 1.01 K(o=2.3,f=-5.4!) USER MOD Set 3.2: A 40 SER OG : rot -91:sc= 1.29 USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= 2.28 (180deg=1.81) USER MOD Single : A 29 SER OG : rot 122:sc= 0.27 USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= 1.53 (180deg=1.43) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-0.66) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -78:sc= 0.43 USER MOD Single : A 64 MET CE :methyl -167:sc= 0 (180deg=-0.0219) USER MOD Single : A 65 GLN : amide:sc= 0.354 X(o=0.35,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0289 X(o=-0.029,f=-0.036) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot -110:sc= -1.59 USER MOD Single : A 73 CYS SG : rot 128:sc= 1.04 USER MOD Single : A 91 TYR OH : rot 180:sc= 0.62 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 110:sc= 0.374 USER MOD Single : A 95 MET CE :methyl 175:sc= 0 (180deg=-0.0269) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0531 X(o=-0.053,f=-0.053) USER MOD Single : A 106 THR OG1 : rot -137:sc= 0.0555 USER MOD Single : A 108 LYS NZ :NH3+ 169:sc= 3.11 (180deg=2.91) USER MOD Single : A 110 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.341 -9.426 15.886 1.00 0.00 N ATOM 47 CA ALA A 4 -6.838 -9.583 14.522 1.00 0.00 C ATOM 48 C ALA A 4 -5.437 -10.220 14.537 1.00 0.00 C ATOM 49 O ALA A 4 -4.881 -10.513 15.597 1.00 0.00 O ATOM 50 CB ALA A 4 -6.845 -8.222 13.809 1.00 0.00 C ATOM 0 HA ALA A 4 -7.491 -10.256 13.966 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.470 -8.342 12.793 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.863 -7.834 13.777 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.207 -7.524 14.351 1.00 0.00 H new ATOM 56 N ASP A 5 -4.844 -10.398 13.356 1.00 0.00 N ATOM 57 CA ASP A 5 -3.457 -10.817 13.166 1.00 0.00 C ATOM 58 C ASP A 5 -2.989 -10.236 11.833 1.00 0.00 C ATOM 59 O ASP A 5 -3.809 -10.050 10.930 1.00 0.00 O ATOM 60 CB ASP A 5 -3.352 -12.348 13.145 1.00 0.00 C ATOM 61 CG ASP A 5 -1.900 -12.792 12.919 1.00 0.00 C ATOM 62 OD1 ASP A 5 -1.153 -12.941 13.912 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.501 -12.971 11.749 1.00 0.00 O ATOM 0 H ASP A 5 -5.335 -10.249 12.474 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.834 -10.459 13.986 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.719 -12.755 14.087 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -3.987 -12.750 12.355 1.00 0.00 H new ATOM 68 N LEU A 6 -1.694 -9.939 11.692 1.00 0.00 N ATOM 69 CA LEU A 6 -1.146 -9.290 10.505 1.00 0.00 C ATOM 70 C LEU A 6 -1.420 -10.082 9.220 1.00 0.00 C ATOM 71 O LEU A 6 -1.587 -9.477 8.158 1.00 0.00 O ATOM 72 CB LEU A 6 0.365 -9.056 10.671 1.00 0.00 C ATOM 73 CG LEU A 6 0.800 -8.169 11.858 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.308 -7.911 11.783 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.071 -6.821 11.896 1.00 0.00 C ATOM 0 H LEU A 6 -0.994 -10.145 12.405 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.654 -8.331 10.406 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.851 -10.026 10.774 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.743 -8.606 9.753 1.00 0.00 H new ATOM 0 HG LEU A 6 0.539 -8.712 12.767 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.612 -7.285 12.622 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.842 -8.860 11.826 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.544 -7.404 10.847 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.419 -6.243 12.752 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.277 -6.270 10.978 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.002 -6.990 11.985 1.00 0.00 H new ATOM 87 N ALA A 7 -1.497 -11.415 9.292 1.00 0.00 N ATOM 88 CA ALA A 7 -1.788 -12.256 8.141 1.00 0.00 C ATOM 89 C ALA A 7 -3.221 -12.061 7.625 1.00 0.00 C ATOM 90 O ALA A 7 -3.484 -12.327 6.452 1.00 0.00 O ATOM 91 CB ALA A 7 -1.556 -13.727 8.500 1.00 0.00 C ATOM 0 H ALA A 7 -1.358 -11.937 10.157 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.112 -11.959 7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.776 -14.352 7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.517 -13.870 8.796 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.210 -14.008 9.325 1.00 0.00 H new ATOM 97 N LEU A 8 -4.150 -11.620 8.484 1.00 0.00 N ATOM 98 CA LEU A 8 -5.549 -11.419 8.111 1.00 0.00 C ATOM 99 C LEU A 8 -5.734 -10.095 7.368 1.00 0.00 C ATOM 100 O LEU A 8 -6.691 -9.961 6.604 1.00 0.00 O ATOM 101 CB LEU A 8 -6.462 -11.442 9.352 1.00 0.00 C ATOM 102 CG LEU A 8 -6.436 -12.755 10.159 1.00 0.00 C ATOM 103 CD1 LEU A 8 -7.345 -12.625 11.387 1.00 0.00 C ATOM 104 CD2 LEU A 8 -6.880 -13.967 9.330 1.00 0.00 C ATOM 0 H LEU A 8 -3.948 -11.393 9.458 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.829 -12.239 7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.174 -10.623 10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.487 -11.250 9.034 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.402 -12.923 10.461 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.324 -13.555 11.955 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.992 -11.808 12.016 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.366 -12.420 11.064 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.842 -14.864 9.948 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.899 -13.812 8.977 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.214 -14.087 8.475 1.00 0.00 H new ATOM 116 N ILE A 9 -4.847 -9.116 7.580 1.00 0.00 N ATOM 117 CA ILE A 9 -4.899 -7.842 6.868 1.00 0.00 C ATOM 118 C ILE A 9 -4.536 -8.141 5.408 1.00 0.00 C ATOM 119 O ILE A 9 -3.518 -8.804 5.175 1.00 0.00 O ATOM 120 CB ILE A 9 -3.913 -6.796 7.440 1.00 0.00 C ATOM 121 CG1 ILE A 9 -3.822 -6.808 8.988 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.315 -5.392 6.949 1.00 0.00 C ATOM 123 CD1 ILE A 9 -2.695 -5.944 9.566 1.00 0.00 C ATOM 0 H ILE A 9 -4.078 -9.187 8.247 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.896 -7.413 6.972 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.922 -7.064 7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.772 -6.465 9.398 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.683 -7.836 9.323 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.621 -4.654 7.351 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.283 -5.365 5.860 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.325 -5.163 7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.706 -6.012 10.654 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.735 -6.299 9.190 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.841 -4.906 9.266 1.00 0.00 H new ATOM 135 N PRO A 10 -5.301 -7.649 4.422 1.00 0.00 N ATOM 136 CA PRO A 10 -4.958 -7.845 3.026 1.00 0.00 C ATOM 137 C PRO A 10 -3.715 -7.036 2.660 1.00 0.00 C ATOM 138 O PRO A 10 -3.613 -5.853 2.994 1.00 0.00 O ATOM 139 CB PRO A 10 -6.188 -7.386 2.252 1.00 0.00 C ATOM 140 CG PRO A 10 -6.865 -6.368 3.166 1.00 0.00 C ATOM 141 CD PRO A 10 -6.554 -6.916 4.555 1.00 0.00 C ATOM 0 HA PRO A 10 -4.711 -8.881 2.796 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.911 -6.938 1.298 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.851 -8.222 2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.462 -5.365 3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.938 -6.309 2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.460 -6.109 5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.353 -7.569 4.906 1.00 0.00 H new ATOM 149 N ASP A 11 -2.788 -7.655 1.927 1.00 0.00 N ATOM 150 CA ASP A 11 -1.528 -7.031 1.515 1.00 0.00 C ATOM 151 C ASP A 11 -1.762 -5.899 0.514 1.00 0.00 C ATOM 152 O ASP A 11 -0.984 -4.949 0.483 1.00 0.00 O ATOM 153 CB ASP A 11 -0.574 -8.078 0.914 1.00 0.00 C ATOM 154 CG ASP A 11 0.168 -8.875 1.993 1.00 0.00 C ATOM 155 OD1 ASP A 11 -0.499 -9.571 2.791 1.00 0.00 O ATOM 156 OD2 ASP A 11 1.414 -8.784 2.057 1.00 0.00 O ATOM 0 H ASP A 11 -2.892 -8.615 1.599 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.069 -6.604 2.407 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.141 -8.764 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.151 -7.579 0.271 1.00 0.00 H new ATOM 161 N VAL A 12 -2.845 -5.945 -0.266 1.00 0.00 N ATOM 162 CA VAL A 12 -3.178 -4.950 -1.282 1.00 0.00 C ATOM 163 C VAL A 12 -4.687 -4.718 -1.205 1.00 0.00 C ATOM 164 O VAL A 12 -5.454 -5.678 -1.119 1.00 0.00 O ATOM 165 CB VAL A 12 -2.765 -5.442 -2.691 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.962 -4.349 -3.755 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.303 -5.900 -2.762 1.00 0.00 C ATOM 0 H VAL A 12 -3.532 -6.697 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.638 -4.021 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.416 -6.293 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.661 -4.732 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.012 -4.058 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.353 -3.481 -3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.075 -6.233 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.648 -5.070 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.145 -6.723 -2.065 1.00 0.00 H new ATOM 177 N ASP A 13 -5.101 -3.453 -1.236 1.00 0.00 N ATOM 178 CA ASP A 13 -6.492 -3.044 -1.393 1.00 0.00 C ATOM 179 C ASP A 13 -6.427 -1.672 -2.053 1.00 0.00 C ATOM 180 O ASP A 13 -5.742 -0.783 -1.540 1.00 0.00 O ATOM 181 CB ASP A 13 -7.238 -2.980 -0.050 1.00 0.00 C ATOM 182 CG ASP A 13 -8.751 -2.746 -0.235 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.288 -2.957 -1.346 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.433 -2.417 0.761 1.00 0.00 O ATOM 0 H ASP A 13 -4.460 -2.664 -1.150 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.050 -3.765 -1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.080 -3.910 0.496 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.820 -2.178 0.558 1.00 0.00 H new ATOM 189 N ILE A 14 -7.039 -1.532 -3.227 1.00 0.00 N ATOM 190 CA ILE A 14 -6.898 -0.371 -4.099 1.00 0.00 C ATOM 191 C ILE A 14 -8.212 -0.107 -4.846 1.00 0.00 C ATOM 192 O ILE A 14 -9.125 -0.939 -4.821 1.00 0.00 O ATOM 193 CB ILE A 14 -5.717 -0.572 -5.094 1.00 0.00 C ATOM 194 CG1 ILE A 14 -5.876 -1.859 -5.942 1.00 0.00 C ATOM 195 CG2 ILE A 14 -4.354 -0.549 -4.375 1.00 0.00 C ATOM 196 CD1 ILE A 14 -4.849 -1.996 -7.071 1.00 0.00 C ATOM 0 H ILE A 14 -7.663 -2.243 -3.607 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.672 0.502 -3.487 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.746 0.274 -5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.796 -2.726 -5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.877 -1.876 -6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.556 -0.693 -5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.222 0.411 -3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.319 -1.349 -3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.029 -2.923 -7.616 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.942 -1.150 -7.752 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.844 -2.013 -6.649 1.00 0.00 H new ATOM 266 N PHE A 20 -3.479 6.659 -9.991 1.00 0.00 N ATOM 267 CA PHE A 20 -3.936 7.093 -8.670 1.00 0.00 C ATOM 268 C PHE A 20 -2.785 6.978 -7.669 1.00 0.00 C ATOM 269 O PHE A 20 -1.897 6.136 -7.824 1.00 0.00 O ATOM 270 CB PHE A 20 -5.146 6.262 -8.207 1.00 0.00 C ATOM 271 CG PHE A 20 -4.913 4.760 -8.198 1.00 0.00 C ATOM 272 CD1 PHE A 20 -5.080 4.013 -9.380 1.00 0.00 C ATOM 273 CD2 PHE A 20 -4.485 4.113 -7.024 1.00 0.00 C ATOM 274 CE1 PHE A 20 -4.793 2.638 -9.393 1.00 0.00 C ATOM 275 CE2 PHE A 20 -4.223 2.732 -7.031 1.00 0.00 C ATOM 276 CZ PHE A 20 -4.368 1.995 -8.218 1.00 0.00 C ATOM 0 HA PHE A 20 -4.254 8.134 -8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.426 6.580 -7.203 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.992 6.482 -8.858 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.430 4.499 -10.279 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.357 4.680 -6.114 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.899 2.074 -10.308 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.910 2.237 -6.123 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.153 0.937 -8.228 1.00 0.00 H new ATOM 286 N LYS A 21 -2.781 7.840 -6.647 1.00 0.00 N ATOM 287 CA LYS A 21 -1.736 7.865 -5.625 1.00 0.00 C ATOM 288 C LYS A 21 -1.901 6.655 -4.706 1.00 0.00 C ATOM 289 O LYS A 21 -3.013 6.153 -4.521 1.00 0.00 O ATOM 290 CB LYS A 21 -1.805 9.176 -4.821 1.00 0.00 C ATOM 291 CG LYS A 21 -1.152 10.401 -5.488 1.00 0.00 C ATOM 292 CD LYS A 21 -1.722 10.766 -6.870 1.00 0.00 C ATOM 293 CE LYS A 21 -1.181 12.111 -7.380 1.00 0.00 C ATOM 294 NZ LYS A 21 -1.936 13.269 -6.845 1.00 0.00 N ATOM 0 H LYS A 21 -3.507 8.542 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.758 7.817 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.852 9.406 -4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.328 9.014 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.264 11.260 -4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.083 10.215 -5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.472 9.981 -7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.810 10.811 -6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.132 12.206 -7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.224 12.126 -8.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.378 14.137 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.839 13.359 -7.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.122 13.124 -5.832 1.00 0.00 H new ATOM 308 N TYR A 22 -0.801 6.203 -4.109 1.00 0.00 N ATOM 309 CA TYR A 22 -0.756 5.040 -3.239 1.00 0.00 C ATOM 310 C TYR A 22 0.297 5.284 -2.137 1.00 0.00 C ATOM 311 O TYR A 22 1.172 6.140 -2.293 1.00 0.00 O ATOM 312 CB TYR A 22 -0.484 3.780 -4.094 1.00 0.00 C ATOM 313 CG TYR A 22 0.897 3.200 -3.908 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.992 3.759 -4.587 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.098 2.211 -2.930 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.297 3.384 -4.235 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.398 1.837 -2.566 1.00 0.00 C ATOM 318 CZ TYR A 22 3.499 2.447 -3.200 1.00 0.00 C ATOM 319 OH TYR A 22 4.759 2.153 -2.794 1.00 0.00 O ATOM 0 H TYR A 22 0.108 6.652 -4.223 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.708 4.874 -2.735 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.223 3.018 -3.846 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.624 4.030 -5.146 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.830 4.476 -5.378 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.249 1.739 -2.458 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.143 3.810 -4.754 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.555 1.087 -1.805 1.00 0.00 H new ATOM 0 HH TYR A 22 5.392 2.370 -3.510 1.00 0.00 H new ATOM 329 N VAL A 23 0.243 4.519 -1.043 1.00 0.00 N ATOM 330 CA VAL A 23 1.260 4.503 0.007 1.00 0.00 C ATOM 331 C VAL A 23 1.588 3.064 0.401 1.00 0.00 C ATOM 332 O VAL A 23 0.763 2.153 0.262 1.00 0.00 O ATOM 333 CB VAL A 23 0.847 5.335 1.243 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.849 6.839 0.947 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.511 4.910 1.817 1.00 0.00 C ATOM 0 H VAL A 23 -0.529 3.878 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 23 2.156 4.973 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 23 1.603 5.131 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.553 7.386 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.850 7.149 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.146 7.052 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.750 5.528 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.283 5.036 1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.467 3.864 2.119 1.00 0.00 H new ATOM 345 N LEU A 24 2.798 2.891 0.932 1.00 0.00 N ATOM 346 CA LEU A 24 3.317 1.635 1.446 1.00 0.00 C ATOM 347 C LEU A 24 3.342 1.813 2.956 1.00 0.00 C ATOM 348 O LEU A 24 4.035 2.711 3.437 1.00 0.00 O ATOM 349 CB LEU A 24 4.737 1.420 0.883 1.00 0.00 C ATOM 350 CG LEU A 24 5.278 -0.021 0.921 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.292 -0.630 2.325 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.477 -0.920 -0.023 1.00 0.00 C ATOM 0 H LEU A 24 3.467 3.657 1.017 1.00 0.00 H new ATOM 0 HA LEU A 24 2.720 0.768 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.750 1.762 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.425 2.058 1.438 1.00 0.00 H new ATOM 0 HG LEU A 24 6.315 0.038 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.685 -1.646 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.924 -0.027 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.277 -0.652 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.874 -1.935 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.431 -0.927 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.555 -0.540 -1.041 1.00 0.00 H new ATOM 364 N ILE A 25 2.590 1.011 3.705 1.00 0.00 N ATOM 365 CA ILE A 25 2.437 1.189 5.145 1.00 0.00 C ATOM 366 C ILE A 25 2.967 -0.071 5.814 1.00 0.00 C ATOM 367 O ILE A 25 2.426 -1.157 5.614 1.00 0.00 O ATOM 368 CB ILE A 25 0.969 1.507 5.525 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.421 2.724 4.744 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.855 1.742 7.043 1.00 0.00 C ATOM 371 CD1 ILE A 25 -1.046 3.058 5.056 1.00 0.00 C ATOM 0 H ILE A 25 2.069 0.218 3.330 1.00 0.00 H new ATOM 0 HA ILE A 25 3.008 2.049 5.494 1.00 0.00 H new ATOM 0 HB ILE A 25 0.360 0.646 5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.037 3.595 4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.520 2.532 3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.181 1.965 7.300 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.176 0.847 7.575 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.489 2.581 7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.355 3.923 4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.675 2.204 4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.150 3.284 6.117 1.00 0.00 H new ATOM 383 N ARG A 26 4.052 0.064 6.575 1.00 0.00 N ATOM 384 CA ARG A 26 4.529 -0.991 7.454 1.00 0.00 C ATOM 385 C ARG A 26 3.573 -1.025 8.641 1.00 0.00 C ATOM 386 O ARG A 26 3.104 0.030 9.072 1.00 0.00 O ATOM 387 CB ARG A 26 5.967 -0.679 7.894 1.00 0.00 C ATOM 388 CG ARG A 26 6.596 -1.848 8.670 1.00 0.00 C ATOM 389 CD ARG A 26 8.129 -1.800 8.716 1.00 0.00 C ATOM 390 NE ARG A 26 8.671 -0.572 9.329 1.00 0.00 N ATOM 391 CZ ARG A 26 9.961 -0.382 9.646 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.846 -1.368 9.512 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.367 0.798 10.095 1.00 0.00 N ATOM 0 H ARG A 26 4.622 0.910 6.596 1.00 0.00 H new ATOM 0 HA ARG A 26 4.549 -1.963 6.961 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.575 -0.457 7.017 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.970 0.214 8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.210 -1.846 9.689 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.284 -2.787 8.213 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.493 -2.663 9.273 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.516 -1.889 7.701 1.00 0.00 H new ATOM 0 HE ARG A 26 8.018 0.187 9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.546 -2.279 9.165 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.824 -1.212 9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.699 1.561 10.199 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.348 0.942 10.336 1.00 0.00 H new ATOM 407 N VAL A 27 3.310 -2.204 9.184 1.00 0.00 N ATOM 408 CA VAL A 27 2.396 -2.423 10.289 1.00 0.00 C ATOM 409 C VAL A 27 3.047 -3.453 11.217 1.00 0.00 C ATOM 410 O VAL A 27 3.806 -4.313 10.763 1.00 0.00 O ATOM 411 CB VAL A 27 1.001 -2.801 9.732 1.00 0.00 C ATOM 412 CG1 VAL A 27 0.996 -4.018 8.791 1.00 0.00 C ATOM 413 CG2 VAL A 27 -0.017 -3.030 10.853 1.00 0.00 C ATOM 0 H VAL A 27 3.745 -3.065 8.853 1.00 0.00 H new ATOM 0 HA VAL A 27 2.216 -1.531 10.889 1.00 0.00 H new ATOM 0 HB VAL A 27 0.712 -1.936 9.136 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.021 -4.210 8.450 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.635 -3.816 7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.371 -4.892 9.324 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.982 -3.293 10.420 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.326 -3.841 11.495 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.120 -2.119 11.443 1.00 0.00 H new ATOM 423 N HIS A 28 2.779 -3.358 12.516 1.00 0.00 N ATOM 424 CA HIS A 28 3.455 -4.108 13.566 1.00 0.00 C ATOM 425 C HIS A 28 2.388 -4.728 14.468 1.00 0.00 C ATOM 426 O HIS A 28 1.337 -4.114 14.691 1.00 0.00 O ATOM 427 CB HIS A 28 4.341 -3.155 14.382 1.00 0.00 C ATOM 428 CG HIS A 28 5.304 -2.337 13.554 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.480 -2.778 12.997 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.169 -1.017 13.210 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.047 -1.750 12.347 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.281 -0.647 12.440 1.00 0.00 N ATOM 0 H HIS A 28 2.058 -2.733 12.878 1.00 0.00 H new ATOM 0 HA HIS A 28 4.082 -4.890 13.137 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.701 -2.478 14.948 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.909 -3.738 15.108 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.347 -0.372 13.485 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.989 -1.801 11.821 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.470 0.269 12.034 1.00 0.00 H new ATOM 440 N SER A 29 2.649 -5.930 14.986 1.00 0.00 N ATOM 441 CA SER A 29 1.710 -6.673 15.810 1.00 0.00 C ATOM 442 C SER A 29 1.382 -5.925 17.110 1.00 0.00 C ATOM 443 O SER A 29 2.181 -5.906 18.048 1.00 0.00 O ATOM 444 CB SER A 29 2.261 -8.067 16.128 1.00 0.00 C ATOM 445 OG SER A 29 2.562 -8.791 14.949 1.00 0.00 O ATOM 0 H SER A 29 3.533 -6.417 14.839 1.00 0.00 H new ATOM 0 HA SER A 29 0.786 -6.776 15.241 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.160 -7.973 16.737 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.532 -8.621 16.719 1.00 0.00 H new ATOM 0 HG SER A 29 3.506 -9.053 14.958 1.00 0.00 H new ATOM 451 N ALA A 30 0.195 -5.320 17.154 1.00 0.00 N ATOM 452 CA ALA A 30 -0.423 -4.755 18.347 1.00 0.00 C ATOM 453 C ALA A 30 -1.970 -4.886 18.326 1.00 0.00 C ATOM 454 O ALA A 30 -2.627 -4.067 18.973 1.00 0.00 O ATOM 455 CB ALA A 30 0.046 -3.298 18.512 1.00 0.00 C ATOM 0 H ALA A 30 -0.384 -5.207 16.322 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.101 -5.325 19.218 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.412 -2.867 19.402 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.131 -3.274 18.614 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.249 -2.720 17.636 1.00 0.00 H new ATOM 461 N PRO A 31 -2.613 -5.834 17.599 1.00 0.00 N ATOM 462 CA PRO A 31 -4.070 -5.852 17.496 1.00 0.00 C ATOM 463 C PRO A 31 -4.715 -6.029 18.877 1.00 0.00 C ATOM 464 O PRO A 31 -4.207 -6.759 19.734 1.00 0.00 O ATOM 465 CB PRO A 31 -4.416 -6.968 16.511 1.00 0.00 C ATOM 466 CG PRO A 31 -3.237 -7.927 16.612 1.00 0.00 C ATOM 467 CD PRO A 31 -2.067 -7.001 16.910 1.00 0.00 C ATOM 0 HA PRO A 31 -4.468 -4.907 17.126 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.353 -7.458 16.776 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.533 -6.584 15.498 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.382 -8.662 17.404 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.087 -8.481 15.686 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.325 -7.504 17.531 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.564 -6.705 15.989 1.00 0.00 H new ATOM 561 N GLU A 39 5.681 -9.350 15.558 1.00 0.00 N ATOM 562 CA GLU A 39 6.125 -9.373 14.175 1.00 0.00 C ATOM 563 C GLU A 39 5.783 -8.035 13.497 1.00 0.00 C ATOM 564 O GLU A 39 5.159 -7.148 14.094 1.00 0.00 O ATOM 565 CB GLU A 39 5.469 -10.562 13.441 1.00 0.00 C ATOM 566 CG GLU A 39 5.784 -11.938 14.055 1.00 0.00 C ATOM 567 CD GLU A 39 7.293 -12.242 14.107 1.00 0.00 C ATOM 568 OE1 GLU A 39 7.926 -12.403 13.039 1.00 0.00 O ATOM 569 OE2 GLU A 39 7.859 -12.353 15.218 1.00 0.00 O ATOM 0 HA GLU A 39 7.206 -9.504 14.134 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.388 -10.419 13.435 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.797 -10.558 12.401 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.375 -11.982 15.064 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.283 -12.712 13.474 1.00 0.00 H new ATOM 576 N SER A 40 6.165 -7.913 12.224 1.00 0.00 N ATOM 577 CA SER A 40 5.813 -6.796 11.363 1.00 0.00 C ATOM 578 C SER A 40 5.470 -7.330 9.969 1.00 0.00 C ATOM 579 O SER A 40 5.857 -8.442 9.596 1.00 0.00 O ATOM 580 CB SER A 40 6.951 -5.768 11.296 1.00 0.00 C ATOM 581 OG SER A 40 7.452 -5.418 12.578 1.00 0.00 O ATOM 0 H SER A 40 6.744 -8.611 11.756 1.00 0.00 H new ATOM 0 HA SER A 40 4.944 -6.284 11.776 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.763 -6.171 10.691 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.594 -4.870 10.793 1.00 0.00 H new ATOM 0 HG SER A 40 6.967 -4.636 12.916 1.00 0.00 H new ATOM 587 N LYS A 41 4.716 -6.536 9.215 1.00 0.00 N ATOM 588 CA LYS A 41 4.135 -6.835 7.910 1.00 0.00 C ATOM 589 C LYS A 41 3.986 -5.488 7.199 1.00 0.00 C ATOM 590 O LYS A 41 4.255 -4.445 7.794 1.00 0.00 O ATOM 591 CB LYS A 41 2.801 -7.569 8.162 1.00 0.00 C ATOM 592 CG LYS A 41 2.006 -8.057 6.940 1.00 0.00 C ATOM 593 CD LYS A 41 0.709 -7.251 6.745 1.00 0.00 C ATOM 594 CE LYS A 41 -0.052 -7.655 5.475 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.538 -9.054 5.496 1.00 0.00 N ATOM 0 H LYS A 41 4.477 -5.594 9.524 1.00 0.00 H new ATOM 0 HA LYS A 41 4.737 -7.486 7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.009 -8.433 8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.156 -6.903 8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.624 -7.973 6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.764 -9.113 7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.063 -7.393 7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.949 -6.189 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.902 -6.986 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.599 -7.518 4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.937 -9.297 4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.254 -9.693 5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.273 -9.155 6.225 1.00 0.00 H new ATOM 609 N GLU A 42 3.568 -5.462 5.940 1.00 0.00 N ATOM 610 CA GLU A 42 3.351 -4.225 5.202 1.00 0.00 C ATOM 611 C GLU A 42 2.100 -4.387 4.348 1.00 0.00 C ATOM 612 O GLU A 42 1.749 -5.514 3.982 1.00 0.00 O ATOM 613 CB GLU A 42 4.555 -3.852 4.310 1.00 0.00 C ATOM 614 CG GLU A 42 5.962 -4.225 4.814 1.00 0.00 C ATOM 615 CD GLU A 42 6.298 -5.735 4.735 1.00 0.00 C ATOM 616 OE1 GLU A 42 5.594 -6.506 4.038 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.286 -6.155 5.379 1.00 0.00 O ATOM 0 H GLU A 42 3.369 -6.304 5.399 1.00 0.00 H new ATOM 0 HA GLU A 42 3.229 -3.414 5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.411 -4.324 3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.531 -2.774 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.700 -3.672 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.061 -3.898 5.849 1.00 0.00 H new ATOM 624 N ILE A 43 1.464 -3.277 3.989 1.00 0.00 N ATOM 625 CA ILE A 43 0.268 -3.233 3.163 1.00 0.00 C ATOM 626 C ILE A 43 0.409 -2.111 2.129 1.00 0.00 C ATOM 627 O ILE A 43 1.132 -1.133 2.343 1.00 0.00 O ATOM 628 CB ILE A 43 -1.005 -3.086 4.039 1.00 0.00 C ATOM 629 CG1 ILE A 43 -1.014 -1.821 4.930 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.216 -4.356 4.877 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.291 -1.613 5.764 1.00 0.00 C ATOM 0 H ILE A 43 1.781 -2.351 4.277 1.00 0.00 H new ATOM 0 HA ILE A 43 0.157 -4.173 2.623 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.841 -2.958 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.161 -1.868 5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.869 -0.948 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.111 -4.244 5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.334 -5.214 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.353 -4.513 5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.197 -0.700 6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.150 -1.529 5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.432 -2.463 6.432 1.00 0.00 H new ATOM 643 N VAL A 44 -0.310 -2.257 1.019 1.00 0.00 N ATOM 644 CA VAL A 44 -0.328 -1.353 -0.121 1.00 0.00 C ATOM 645 C VAL A 44 -1.753 -0.812 -0.179 1.00 0.00 C ATOM 646 O VAL A 44 -2.702 -1.602 -0.263 1.00 0.00 O ATOM 647 CB VAL A 44 0.019 -2.144 -1.406 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.062 -1.253 -2.652 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.359 -2.889 -1.311 1.00 0.00 C ATOM 0 H VAL A 44 -0.930 -3.056 0.886 1.00 0.00 H new ATOM 0 HA VAL A 44 0.398 -0.544 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.789 -2.870 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.310 -1.858 -3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.912 -0.786 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.819 -0.480 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.545 -3.424 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.162 -2.173 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.322 -3.600 -0.486 1.00 0.00 H new ATOM 659 N ARG A 45 -1.917 0.511 -0.109 1.00 0.00 N ATOM 660 CA ARG A 45 -3.210 1.197 -0.196 1.00 0.00 C ATOM 661 C ARG A 45 -3.089 2.234 -1.298 1.00 0.00 C ATOM 662 O ARG A 45 -2.030 2.848 -1.412 1.00 0.00 O ATOM 663 CB ARG A 45 -3.528 1.937 1.119 1.00 0.00 C ATOM 664 CG ARG A 45 -3.622 1.093 2.398 1.00 0.00 C ATOM 665 CD ARG A 45 -4.815 0.122 2.439 1.00 0.00 C ATOM 666 NE ARG A 45 -4.476 -1.162 1.817 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.518 -2.375 2.374 1.00 0.00 C ATOM 668 NH1 ARG A 45 -5.145 -2.602 3.525 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.887 -3.364 1.759 1.00 0.00 N ATOM 0 H ARG A 45 -1.134 1.153 0.013 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.999 0.471 -0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.762 2.697 1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.475 2.461 0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.701 0.521 2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.686 1.763 3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.119 -0.041 3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.666 0.566 1.923 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.172 -1.124 0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.613 -1.837 4.010 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.157 -3.541 3.922 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.389 -3.187 0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.899 -4.303 2.158 1.00 0.00 H new ATOM 683 N GLY A 46 -4.148 2.497 -2.057 1.00 0.00 N ATOM 684 CA GLY A 46 -4.147 3.572 -3.037 1.00 0.00 C ATOM 685 C GLY A 46 -5.483 3.640 -3.743 1.00 0.00 C ATOM 686 O GLY A 46 -5.978 2.622 -4.226 1.00 0.00 O ATOM 0 H GLY A 46 -5.023 1.975 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.940 4.522 -2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.352 3.410 -3.764 1.00 0.00 H new ATOM 690 N TYR A 47 -6.071 4.831 -3.803 1.00 0.00 N ATOM 691 CA TYR A 47 -7.419 5.021 -4.322 1.00 0.00 C ATOM 692 C TYR A 47 -7.512 6.426 -4.899 1.00 0.00 C ATOM 693 O TYR A 47 -6.813 7.331 -4.436 1.00 0.00 O ATOM 694 CB TYR A 47 -8.457 4.877 -3.196 1.00 0.00 C ATOM 695 CG TYR A 47 -8.273 3.710 -2.238 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.468 3.878 -1.098 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.939 2.488 -2.444 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.358 2.851 -0.143 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.822 1.447 -1.508 1.00 0.00 C ATOM 700 CZ TYR A 47 -8.049 1.632 -0.341 1.00 0.00 C ATOM 701 OH TYR A 47 -8.023 0.653 0.604 1.00 0.00 O ATOM 0 H TYR A 47 -5.624 5.693 -3.492 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.623 4.269 -5.084 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.456 5.798 -2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.443 4.790 -3.652 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.930 4.803 -0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.544 2.349 -3.328 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.749 2.992 0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.323 0.506 -1.681 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.554 -0.112 0.298 1.00 0.00 H new ATOM 711 N LYS A 48 -8.412 6.636 -5.864 1.00 0.00 N ATOM 712 CA LYS A 48 -8.575 7.938 -6.508 1.00 0.00 C ATOM 713 C LYS A 48 -8.967 9.026 -5.500 1.00 0.00 C ATOM 714 O LYS A 48 -8.563 10.176 -5.671 1.00 0.00 O ATOM 715 CB LYS A 48 -9.609 7.823 -7.646 1.00 0.00 C ATOM 716 CG LYS A 48 -9.469 8.915 -8.720 1.00 0.00 C ATOM 717 CD LYS A 48 -8.271 8.663 -9.649 1.00 0.00 C ATOM 718 CE LYS A 48 -8.181 9.755 -10.722 1.00 0.00 C ATOM 719 NZ LYS A 48 -7.262 9.369 -11.818 1.00 0.00 N ATOM 0 H LYS A 48 -9.041 5.915 -6.216 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.617 8.239 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.509 6.846 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.611 7.870 -7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.383 8.960 -9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.355 9.885 -8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.350 8.642 -9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.371 7.687 -10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.173 9.948 -11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.837 10.684 -10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.226 10.131 -12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.309 9.209 -11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.605 8.496 -12.267 1.00 0.00 H new ATOM 733 N TRP A 49 -9.732 8.681 -4.454 1.00 0.00 N ATOM 734 CA TRP A 49 -10.165 9.652 -3.453 1.00 0.00 C ATOM 735 C TRP A 49 -8.989 10.243 -2.665 1.00 0.00 C ATOM 736 O TRP A 49 -9.056 11.412 -2.279 1.00 0.00 O ATOM 737 CB TRP A 49 -11.260 9.071 -2.539 1.00 0.00 C ATOM 738 CG TRP A 49 -11.084 7.695 -1.951 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.763 6.592 -2.344 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.262 7.255 -0.820 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.432 5.519 -1.542 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.509 5.868 -0.581 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.336 7.883 0.036 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.858 5.150 0.438 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.636 7.161 1.021 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.882 5.792 1.216 1.00 0.00 C ATOM 0 H TRP A 49 -10.062 7.731 -4.284 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.613 10.488 -3.990 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.395 9.765 -1.710 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.191 9.067 -3.107 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.462 6.557 -3.166 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.823 4.583 -1.648 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.159 8.944 -0.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.107 4.115 0.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.902 7.665 1.633 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.325 5.238 1.958 1.00 0.00 H new ATOM 757 N ALA A 50 -7.902 9.491 -2.454 1.00 0.00 N ATOM 758 CA ALA A 50 -6.703 10.003 -1.809 1.00 0.00 C ATOM 759 C ALA A 50 -5.818 10.675 -2.856 1.00 0.00 C ATOM 760 O ALA A 50 -4.806 10.125 -3.284 1.00 0.00 O ATOM 761 CB ALA A 50 -5.967 8.904 -1.051 1.00 0.00 C ATOM 0 H ALA A 50 -7.836 8.511 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.983 10.748 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.076 9.320 -0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.622 8.490 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.676 8.115 -1.745 1.00 0.00 H new ATOM 767 N GLU A 51 -6.215 11.870 -3.290 1.00 0.00 N ATOM 768 CA GLU A 51 -5.438 12.680 -4.225 1.00 0.00 C ATOM 769 C GLU A 51 -4.076 13.091 -3.618 1.00 0.00 C ATOM 770 O GLU A 51 -3.147 13.425 -4.354 1.00 0.00 O ATOM 771 CB GLU A 51 -6.299 13.895 -4.621 1.00 0.00 C ATOM 772 CG GLU A 51 -5.750 14.742 -5.778 1.00 0.00 C ATOM 773 CD GLU A 51 -5.685 13.966 -7.105 1.00 0.00 C ATOM 774 OE1 GLU A 51 -6.674 13.982 -7.873 1.00 0.00 O ATOM 775 OE2 GLU A 51 -4.629 13.362 -7.399 1.00 0.00 O ATOM 0 H GLU A 51 -7.091 12.306 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.196 12.104 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.294 13.541 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.416 14.536 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.379 15.623 -5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.752 15.097 -5.521 1.00 0.00 H new ATOM 782 N TYR A 52 -3.929 13.025 -2.289 1.00 0.00 N ATOM 783 CA TYR A 52 -2.704 13.307 -1.548 1.00 0.00 C ATOM 784 C TYR A 52 -2.364 12.073 -0.710 1.00 0.00 C ATOM 785 O TYR A 52 -3.261 11.352 -0.260 1.00 0.00 O ATOM 786 CB TYR A 52 -2.813 14.598 -0.716 1.00 0.00 C ATOM 787 CG TYR A 52 -4.174 14.949 -0.144 1.00 0.00 C ATOM 788 CD1 TYR A 52 -5.161 15.473 -0.996 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.434 14.816 1.232 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.422 15.834 -0.490 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.688 15.185 1.752 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.691 15.690 0.892 1.00 0.00 C ATOM 793 OH TYR A 52 -7.904 16.041 1.406 1.00 0.00 O ATOM 0 H TYR A 52 -4.701 12.760 -1.677 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.884 13.499 -2.240 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.108 14.525 0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.486 15.429 -1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.949 15.599 -2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.670 14.430 1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.182 16.220 -1.153 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.885 15.083 2.809 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.911 15.873 2.372 1.00 0.00 H new ATOM 803 N HIS A 53 -1.073 11.801 -0.521 1.00 0.00 N ATOM 804 CA HIS A 53 -0.594 10.553 0.063 1.00 0.00 C ATOM 805 C HIS A 53 -0.911 10.529 1.555 1.00 0.00 C ATOM 806 O HIS A 53 -1.250 9.477 2.103 1.00 0.00 O ATOM 807 CB HIS A 53 0.918 10.407 -0.164 1.00 0.00 C ATOM 808 CG HIS A 53 1.355 10.561 -1.603 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.678 9.520 -2.476 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.578 11.748 -2.237 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.081 10.117 -3.612 1.00 0.00 C ATOM 812 NE2 HIS A 53 2.029 11.452 -3.499 1.00 0.00 N ATOM 0 H HIS A 53 -0.325 12.448 -0.772 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.098 9.716 -0.420 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.437 11.150 0.441 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.233 9.427 0.195 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.428 12.735 -1.824 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.404 9.591 -4.498 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.280 12.127 -4.222 1.00 0.00 H new ATOM 820 N ALA A 54 -0.870 11.696 2.205 1.00 0.00 N ATOM 821 CA ALA A 54 -1.283 11.837 3.592 1.00 0.00 C ATOM 822 C ALA A 54 -2.717 11.349 3.831 1.00 0.00 C ATOM 823 O ALA A 54 -3.008 10.912 4.943 1.00 0.00 O ATOM 824 CB ALA A 54 -1.142 13.295 4.040 1.00 0.00 C ATOM 0 H ALA A 54 -0.549 12.565 1.779 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.624 11.205 4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.454 13.388 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.102 13.606 3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.770 13.930 3.415 1.00 0.00 H new ATOM 830 N ASP A 55 -3.612 11.409 2.835 1.00 0.00 N ATOM 831 CA ASP A 55 -5.018 11.065 3.053 1.00 0.00 C ATOM 832 C ASP A 55 -5.182 9.572 3.324 1.00 0.00 C ATOM 833 O ASP A 55 -5.815 9.185 4.309 1.00 0.00 O ATOM 834 CB ASP A 55 -5.889 11.447 1.853 1.00 0.00 C ATOM 835 CG ASP A 55 -7.373 11.405 2.247 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.806 12.235 3.080 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.116 10.560 1.709 1.00 0.00 O ATOM 0 H ASP A 55 -3.387 11.690 1.881 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.346 11.634 3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.625 12.445 1.505 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.704 10.761 1.026 1.00 0.00 H new ATOM 842 N ILE A 56 -4.567 8.730 2.483 1.00 0.00 N ATOM 843 CA ILE A 56 -4.573 7.284 2.672 1.00 0.00 C ATOM 844 C ILE A 56 -3.809 6.923 3.933 1.00 0.00 C ATOM 845 O ILE A 56 -4.268 6.042 4.661 1.00 0.00 O ATOM 846 CB ILE A 56 -4.021 6.472 1.468 1.00 0.00 C ATOM 847 CG1 ILE A 56 -3.032 7.224 0.538 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.197 5.789 0.758 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.823 6.587 -0.841 1.00 0.00 C ATOM 0 H ILE A 56 -4.054 9.037 1.656 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.622 7.003 2.762 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.357 5.702 1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.392 8.243 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.067 7.292 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.826 5.214 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.704 5.121 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.898 6.545 0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.116 7.186 -1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.429 5.578 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.775 6.544 -1.370 1.00 0.00 H new ATOM 861 N TYR A 57 -2.675 7.581 4.207 1.00 0.00 N ATOM 862 CA TYR A 57 -1.928 7.244 5.402 1.00 0.00 C ATOM 863 C TYR A 57 -2.781 7.517 6.637 1.00 0.00 C ATOM 864 O TYR A 57 -2.953 6.606 7.435 1.00 0.00 O ATOM 865 CB TYR A 57 -0.581 7.967 5.482 1.00 0.00 C ATOM 866 CG TYR A 57 0.180 7.597 6.746 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.451 6.242 7.031 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.565 8.591 7.667 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.112 5.880 8.215 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.236 8.238 8.852 1.00 0.00 C ATOM 871 CZ TYR A 57 1.519 6.879 9.127 1.00 0.00 C ATOM 872 OH TYR A 57 2.183 6.514 10.259 1.00 0.00 O ATOM 0 H TYR A 57 -2.274 8.323 3.633 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.694 6.180 5.357 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.020 7.715 4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.744 9.044 5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.147 5.477 6.332 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.344 9.628 7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.309 4.840 8.428 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.535 9.004 9.552 1.00 0.00 H new ATOM 0 HH TYR A 57 2.397 7.313 10.785 1.00 0.00 H new ATOM 882 N ASP A 58 -3.373 8.707 6.773 1.00 0.00 N ATOM 883 CA ASP A 58 -4.171 9.058 7.948 1.00 0.00 C ATOM 884 C ASP A 58 -5.373 8.126 8.118 1.00 0.00 C ATOM 885 O ASP A 58 -5.637 7.646 9.223 1.00 0.00 O ATOM 886 CB ASP A 58 -4.650 10.509 7.848 1.00 0.00 C ATOM 887 CG ASP A 58 -5.553 10.865 9.041 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.029 11.094 10.154 1.00 0.00 O ATOM 889 OD2 ASP A 58 -6.789 10.948 8.866 1.00 0.00 O ATOM 0 H ASP A 58 -3.313 9.449 6.076 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.532 8.944 8.824 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.791 11.180 7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.196 10.654 6.916 1.00 0.00 H new ATOM 894 N LYS A 59 -6.083 7.833 7.022 1.00 0.00 N ATOM 895 CA LYS A 59 -7.229 6.928 7.031 1.00 0.00 C ATOM 896 C LYS A 59 -6.815 5.539 7.501 1.00 0.00 C ATOM 897 O LYS A 59 -7.438 4.993 8.413 1.00 0.00 O ATOM 898 CB LYS A 59 -7.851 6.915 5.623 1.00 0.00 C ATOM 899 CG LYS A 59 -8.944 5.848 5.418 1.00 0.00 C ATOM 900 CD LYS A 59 -10.074 6.401 4.539 1.00 0.00 C ATOM 901 CE LYS A 59 -11.074 5.327 4.080 1.00 0.00 C ATOM 902 NZ LYS A 59 -11.905 4.787 5.187 1.00 0.00 N ATOM 0 H LYS A 59 -5.874 8.221 6.102 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.982 7.275 7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.277 7.897 5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.060 6.752 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.513 4.962 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.344 5.538 6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.610 7.173 5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.640 6.881 3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.728 5.751 3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.528 4.508 3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.557 4.069 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.289 4.355 5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.451 5.559 5.619 1.00 0.00 H new ATOM 916 N VAL A 60 -5.775 4.960 6.906 1.00 0.00 N ATOM 917 CA VAL A 60 -5.468 3.560 7.140 1.00 0.00 C ATOM 918 C VAL A 60 -4.629 3.374 8.404 1.00 0.00 C ATOM 919 O VAL A 60 -4.861 2.397 9.109 1.00 0.00 O ATOM 920 CB VAL A 60 -4.887 2.925 5.864 1.00 0.00 C ATOM 921 CG1 VAL A 60 -4.570 1.439 6.101 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.932 3.059 4.731 1.00 0.00 C ATOM 0 H VAL A 60 -5.139 5.436 6.266 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.385 3.009 7.349 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.963 3.435 5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.160 1.005 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.842 1.346 6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.483 0.911 6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.537 2.614 3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.849 2.544 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.147 4.113 4.557 1.00 0.00 H new ATOM 932 N SER A 61 -3.732 4.292 8.778 1.00 0.00 N ATOM 933 CA SER A 61 -3.081 4.207 10.079 1.00 0.00 C ATOM 934 C SER A 61 -4.129 4.356 11.182 1.00 0.00 C ATOM 935 O SER A 61 -4.019 3.692 12.212 1.00 0.00 O ATOM 936 CB SER A 61 -1.940 5.226 10.210 1.00 0.00 C ATOM 937 OG SER A 61 -2.410 6.556 10.323 1.00 0.00 O ATOM 0 H SER A 61 -3.447 5.087 8.206 1.00 0.00 H new ATOM 0 HA SER A 61 -2.616 3.227 10.182 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.338 4.982 11.085 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.286 5.148 9.341 1.00 0.00 H new ATOM 0 HG SER A 61 -2.673 6.886 9.439 1.00 0.00 H new ATOM 943 N GLY A 62 -5.165 5.175 10.967 1.00 0.00 N ATOM 944 CA GLY A 62 -6.307 5.274 11.858 1.00 0.00 C ATOM 945 C GLY A 62 -7.025 3.934 11.955 1.00 0.00 C ATOM 946 O GLY A 62 -7.233 3.438 13.058 1.00 0.00 O ATOM 0 H GLY A 62 -5.226 5.792 10.157 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.977 5.589 12.848 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.995 6.037 11.494 1.00 0.00 H new ATOM 950 N ASP A 63 -7.367 3.309 10.825 1.00 0.00 N ATOM 951 CA ASP A 63 -8.060 2.019 10.811 1.00 0.00 C ATOM 952 C ASP A 63 -7.245 0.920 11.492 1.00 0.00 C ATOM 953 O ASP A 63 -7.783 0.166 12.302 1.00 0.00 O ATOM 954 CB ASP A 63 -8.408 1.601 9.382 1.00 0.00 C ATOM 955 CG ASP A 63 -9.205 0.286 9.382 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.374 0.290 9.831 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.687 -0.740 8.892 1.00 0.00 O ATOM 0 H ASP A 63 -7.172 3.683 9.896 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.981 2.151 11.378 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.991 2.386 8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.494 1.479 8.800 1.00 0.00 H new ATOM 962 N MET A 64 -5.937 0.864 11.231 1.00 0.00 N ATOM 963 CA MET A 64 -5.045 -0.095 11.869 1.00 0.00 C ATOM 964 C MET A 64 -5.006 0.141 13.372 1.00 0.00 C ATOM 965 O MET A 64 -5.153 -0.811 14.131 1.00 0.00 O ATOM 966 CB MET A 64 -3.633 0.002 11.282 1.00 0.00 C ATOM 967 CG MET A 64 -3.560 -0.499 9.832 1.00 0.00 C ATOM 968 SD MET A 64 -3.876 -2.271 9.636 1.00 0.00 S ATOM 969 CE MET A 64 -5.532 -2.185 8.914 1.00 0.00 C ATOM 0 H MET A 64 -5.470 1.485 10.570 1.00 0.00 H new ATOM 0 HA MET A 64 -5.428 -1.098 11.679 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.298 1.038 11.322 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.947 -0.579 11.898 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.282 0.055 9.232 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.572 -0.272 9.431 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.989 -3.174 8.934 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.144 -1.490 9.489 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.462 -1.839 7.883 1.00 0.00 H new ATOM 979 N GLN A 65 -4.875 1.388 13.822 1.00 0.00 N ATOM 980 CA GLN A 65 -4.845 1.713 15.238 1.00 0.00 C ATOM 981 C GLN A 65 -6.201 1.468 15.908 1.00 0.00 C ATOM 982 O GLN A 65 -6.230 1.113 17.086 1.00 0.00 O ATOM 983 CB GLN A 65 -4.376 3.162 15.402 1.00 0.00 C ATOM 984 CG GLN A 65 -2.856 3.296 15.206 1.00 0.00 C ATOM 985 CD GLN A 65 -2.427 4.761 15.190 1.00 0.00 C ATOM 986 OE1 GLN A 65 -1.879 5.287 16.156 1.00 0.00 O ATOM 987 NE2 GLN A 65 -2.681 5.453 14.092 1.00 0.00 N ATOM 0 H GLN A 65 -4.787 2.199 13.210 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.141 1.052 15.743 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.893 3.795 14.681 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.648 3.522 16.394 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.336 2.771 16.007 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.564 2.819 14.270 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.137 5.002 13.299 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.421 6.438 14.038 1.00 0.00 H new ATOM 996 N LYS A 66 -7.318 1.585 15.181 1.00 0.00 N ATOM 997 CA LYS A 66 -8.630 1.172 15.677 1.00 0.00 C ATOM 998 C LYS A 66 -8.685 -0.350 15.835 1.00 0.00 C ATOM 999 O LYS A 66 -9.255 -0.817 16.822 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.752 1.717 14.775 1.00 0.00 C ATOM 1001 CG LYS A 66 -9.974 3.222 15.024 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.089 3.842 14.168 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.733 3.923 12.674 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.806 4.580 11.883 1.00 0.00 N ATOM 0 H LYS A 66 -7.335 1.968 14.236 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.789 1.602 16.666 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.496 1.551 13.729 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.676 1.172 14.967 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.212 3.374 16.077 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.042 3.753 14.828 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.999 3.253 14.287 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.307 4.844 14.538 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.802 4.476 12.552 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.560 2.919 12.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.527 4.615 10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.689 4.038 11.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.954 5.547 12.235 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.068 -1.132 14.936 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.897 -2.572 15.153 1.00 0.00 C ATOM 1020 C GLN A 67 -6.905 -2.837 16.298 1.00 0.00 C ATOM 1021 O GLN A 67 -6.995 -3.866 16.964 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.434 -3.276 13.864 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.480 -3.221 12.742 1.00 0.00 C ATOM 1024 CD GLN A 67 -9.676 -4.137 13.009 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -10.681 -3.729 13.585 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -9.597 -5.397 12.610 1.00 0.00 N ATOM 0 H GLN A 67 -7.681 -0.791 14.056 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.866 -2.984 15.434 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.511 -2.813 13.515 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.204 -4.318 14.088 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.831 -2.195 12.627 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.012 -3.505 11.800 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.759 -5.729 12.132 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.374 -6.036 12.780 1.00 0.00 H new ATOM 1035 N GLY A 68 -5.963 -1.921 16.532 1.00 0.00 N ATOM 1036 CA GLY A 68 -4.986 -1.910 17.616 1.00 0.00 C ATOM 1037 C GLY A 68 -3.551 -1.785 17.088 1.00 0.00 C ATOM 1038 O GLY A 68 -2.672 -1.288 17.793 1.00 0.00 O ATOM 0 H GLY A 68 -5.858 -1.110 15.923 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.199 -1.080 18.289 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.080 -2.826 18.200 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.327 -2.228 15.848 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.039 -2.293 15.174 1.00 0.00 C ATOM 1044 C CYS A 69 -1.354 -0.926 15.103 1.00 0.00 C ATOM 1045 O CYS A 69 -2.012 0.110 15.017 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.270 -2.845 13.766 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.711 -4.604 13.863 1.00 0.00 S ATOM 0 H CYS A 69 -4.087 -2.569 15.259 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.375 -2.944 15.742 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.066 -2.287 13.272 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.371 -2.718 13.163 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.909 -5.069 12.665 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.023 -0.934 15.068 1.00 0.00 N ATOM 1054 CA ASP A 70 0.807 0.269 14.979 1.00 0.00 C ATOM 1055 C ASP A 70 1.444 0.304 13.591 1.00 0.00 C ATOM 1056 O ASP A 70 1.772 -0.763 13.068 1.00 0.00 O ATOM 1057 CB ASP A 70 1.862 0.228 16.085 1.00 0.00 C ATOM 1058 CG ASP A 70 2.830 1.416 15.971 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.370 2.578 16.033 1.00 0.00 O ATOM 1060 OD2 ASP A 70 4.053 1.193 15.838 1.00 0.00 O ATOM 0 H ASP A 70 0.522 -1.796 15.101 1.00 0.00 H new ATOM 0 HA ASP A 70 0.215 1.174 15.115 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.373 0.246 17.059 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.420 -0.707 16.025 1.00 0.00 H new ATOM 1065 N CYS A 71 1.633 1.490 12.999 1.00 0.00 N ATOM 1066 CA CYS A 71 2.010 1.637 11.592 1.00 0.00 C ATOM 1067 C CYS A 71 3.026 2.750 11.329 1.00 0.00 C ATOM 1068 O CYS A 71 3.196 3.651 12.154 1.00 0.00 O ATOM 1069 CB CYS A 71 0.747 1.973 10.789 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.390 0.575 10.779 1.00 0.00 S ATOM 0 H CYS A 71 1.527 2.379 13.488 1.00 0.00 H new ATOM 0 HA CYS A 71 2.474 0.696 11.297 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.256 2.845 11.221 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.019 2.235 9.766 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.433 0.059 9.586 1.00 0.00 H new ATOM 1076 N GLU A 72 3.630 2.728 10.134 1.00 0.00 N ATOM 1077 CA GLU A 72 4.476 3.782 9.597 1.00 0.00 C ATOM 1078 C GLU A 72 4.400 3.708 8.066 1.00 0.00 C ATOM 1079 O GLU A 72 4.637 2.639 7.502 1.00 0.00 O ATOM 1080 CB GLU A 72 5.905 3.525 10.103 1.00 0.00 C ATOM 1081 CG GLU A 72 6.949 4.426 9.441 1.00 0.00 C ATOM 1082 CD GLU A 72 8.337 4.223 10.069 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.854 3.083 10.042 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.925 5.201 10.586 1.00 0.00 O ATOM 0 H GLU A 72 3.534 1.939 9.495 1.00 0.00 H new ATOM 0 HA GLU A 72 4.161 4.776 9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.935 3.677 11.182 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.166 2.483 9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.995 4.210 8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.650 5.469 9.543 1.00 0.00 H new ATOM 1091 N CYS A 73 4.069 4.802 7.371 1.00 0.00 N ATOM 1092 CA CYS A 73 4.201 4.848 5.916 1.00 0.00 C ATOM 1093 C CYS A 73 5.702 4.857 5.592 1.00 0.00 C ATOM 1094 O CYS A 73 6.429 5.762 6.012 1.00 0.00 O ATOM 1095 CB CYS A 73 3.450 6.044 5.293 1.00 0.00 C ATOM 1096 SG CYS A 73 3.720 7.562 6.250 1.00 0.00 S ATOM 0 H CYS A 73 3.711 5.660 7.791 1.00 0.00 H new ATOM 0 HA CYS A 73 3.732 3.971 5.470 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.787 6.193 4.267 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.383 5.824 5.249 1.00 0.00 H new ATOM 0 HG CYS A 73 4.128 8.508 5.457 1.00 0.00 H new ATOM 1102 N LEU A 74 6.183 3.849 4.858 1.00 0.00 N ATOM 1103 CA LEU A 74 7.562 3.819 4.377 1.00 0.00 C ATOM 1104 C LEU A 74 7.763 4.866 3.276 1.00 0.00 C ATOM 1105 O LEU A 74 8.881 5.342 3.083 1.00 0.00 O ATOM 1106 CB LEU A 74 7.944 2.419 3.864 1.00 0.00 C ATOM 1107 CG LEU A 74 7.913 1.295 4.920 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.514 0.016 4.326 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.677 1.647 6.203 1.00 0.00 C ATOM 0 H LEU A 74 5.629 3.037 4.584 1.00 0.00 H new ATOM 0 HA LEU A 74 8.217 4.058 5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.267 2.151 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.947 2.468 3.439 1.00 0.00 H new ATOM 0 HG LEU A 74 6.867 1.153 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.492 -0.778 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.933 -0.289 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.545 0.203 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.615 0.814 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.722 1.842 5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.237 2.535 6.656 1.00 0.00 H new ATOM 1121 N GLY A 75 6.692 5.239 2.570 1.00 0.00 N ATOM 1122 CA GLY A 75 6.674 6.321 1.603 1.00 0.00 C ATOM 1123 C GLY A 75 5.377 6.278 0.806 1.00 0.00 C ATOM 1124 O GLY A 75 4.474 5.488 1.112 1.00 0.00 O ATOM 0 H GLY A 75 5.788 4.776 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.766 7.279 2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.528 6.235 0.931 1.00 0.00 H new ATOM 1128 N GLY A 76 5.302 7.113 -0.226 1.00 0.00 N ATOM 1129 CA GLY A 76 4.185 7.168 -1.153 1.00 0.00 C ATOM 1130 C GLY A 76 4.684 7.176 -2.590 1.00 0.00 C ATOM 1131 O GLY A 76 5.891 7.185 -2.841 1.00 0.00 O ATOM 0 H GLY A 76 6.037 7.786 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.531 6.311 -0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.591 8.062 -0.963 1.00 0.00 H new ATOM 1135 N GLY A 77 3.744 7.166 -3.526 1.00 0.00 N ATOM 1136 CA GLY A 77 3.980 7.106 -4.956 1.00 0.00 C ATOM 1137 C GLY A 77 2.632 7.094 -5.664 1.00 0.00 C ATOM 1138 O GLY A 77 1.601 7.401 -5.064 1.00 0.00 O ATOM 0 H GLY A 77 2.751 7.201 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.571 7.963 -5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.550 6.212 -5.209 1.00 0.00 H new ATOM 1142 N ARG A 78 2.596 6.715 -6.936 1.00 0.00 N ATOM 1143 CA ARG A 78 1.353 6.485 -7.651 1.00 0.00 C ATOM 1144 C ARG A 78 1.494 5.212 -8.465 1.00 0.00 C ATOM 1145 O ARG A 78 2.602 4.812 -8.837 1.00 0.00 O ATOM 1146 CB ARG A 78 0.953 7.737 -8.458 1.00 0.00 C ATOM 1147 CG ARG A 78 1.809 8.012 -9.699 1.00 0.00 C ATOM 1148 CD ARG A 78 1.482 9.403 -10.264 1.00 0.00 C ATOM 1149 NE ARG A 78 2.143 9.649 -11.559 1.00 0.00 N ATOM 1150 CZ ARG A 78 2.241 10.831 -12.181 1.00 0.00 C ATOM 1151 NH1 ARG A 78 1.770 11.942 -11.621 1.00 0.00 N ATOM 1152 NH2 ARG A 78 2.824 10.885 -13.372 1.00 0.00 N ATOM 0 H ARG A 78 3.432 6.559 -7.499 1.00 0.00 H new ATOM 0 HA ARG A 78 0.520 6.326 -6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.087 7.633 -8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.004 8.605 -7.801 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.867 7.954 -9.442 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.623 7.250 -10.456 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.403 9.499 -10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.792 10.165 -9.549 1.00 0.00 H new ATOM 0 HE ARG A 78 2.564 8.845 -12.024 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.326 11.902 -10.704 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.853 12.834 -12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.189 10.034 -13.800 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.907 11.777 -13.859 1.00 0.00 H new ATOM 1166 N ILE A 79 0.361 4.574 -8.704 1.00 0.00 N ATOM 1167 CA ILE A 79 0.241 3.356 -9.476 1.00 0.00 C ATOM 1168 C ILE A 79 -0.434 3.805 -10.765 1.00 0.00 C ATOM 1169 O ILE A 79 -1.371 4.610 -10.724 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.590 2.312 -8.689 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.160 1.874 -7.408 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -0.913 1.081 -9.564 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.665 1.012 -6.444 1.00 0.00 C ATOM 0 H ILE A 79 -0.536 4.907 -8.349 1.00 0.00 H new ATOM 0 HA ILE A 79 1.192 2.865 -9.683 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.531 2.783 -8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.052 1.318 -7.698 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.498 2.765 -6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.497 0.366 -8.985 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.486 1.395 -10.436 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.016 0.612 -9.889 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.058 0.753 -5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.544 1.569 -6.119 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.981 0.100 -6.951 1.00 0.00 H new ATOM 1333 N HIS A 89 2.476 -0.294 -13.403 1.00 0.00 N ATOM 1334 CA HIS A 89 3.722 0.301 -12.960 1.00 0.00 C ATOM 1335 C HIS A 89 3.489 1.044 -11.647 1.00 0.00 C ATOM 1336 O HIS A 89 2.370 1.482 -11.364 1.00 0.00 O ATOM 1337 CB HIS A 89 4.234 1.248 -14.049 1.00 0.00 C ATOM 1338 CG HIS A 89 5.695 1.591 -13.908 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.744 0.765 -14.235 1.00 0.00 N ATOM 1340 CD2 HIS A 89 6.233 2.776 -13.479 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.886 1.438 -14.029 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.628 2.672 -13.558 1.00 0.00 N ATOM 0 HA HIS A 89 4.473 -0.469 -12.786 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.069 0.791 -15.024 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.649 2.167 -14.025 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.679 3.639 -13.140 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.874 1.045 -14.215 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.311 3.388 -13.309 1.00 0.00 H new ATOM 1350 N VAL A 90 4.554 1.225 -10.869 1.00 0.00 N ATOM 1351 CA VAL A 90 4.549 1.922 -9.591 1.00 0.00 C ATOM 1352 C VAL A 90 5.773 2.836 -9.604 1.00 0.00 C ATOM 1353 O VAL A 90 6.872 2.389 -9.924 1.00 0.00 O ATOM 1354 CB VAL A 90 4.616 0.910 -8.426 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.316 1.613 -7.093 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.640 -0.270 -8.573 1.00 0.00 C ATOM 0 H VAL A 90 5.478 0.876 -11.124 1.00 0.00 H new ATOM 0 HA VAL A 90 3.635 2.499 -9.449 1.00 0.00 H new ATOM 0 HB VAL A 90 5.629 0.509 -8.447 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.366 0.889 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.051 2.400 -6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.318 2.050 -7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.745 -0.938 -7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.618 0.106 -8.616 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.865 -0.816 -9.489 1.00 0.00 H new ATOM 1366 N TYR A 91 5.599 4.117 -9.297 1.00 0.00 N ATOM 1367 CA TYR A 91 6.660 5.121 -9.333 1.00 0.00 C ATOM 1368 C TYR A 91 6.175 6.367 -8.590 1.00 0.00 C ATOM 1369 O TYR A 91 5.167 6.311 -7.889 1.00 0.00 O ATOM 1370 CB TYR A 91 7.095 5.424 -10.786 1.00 0.00 C ATOM 1371 CG TYR A 91 6.145 6.158 -11.723 1.00 0.00 C ATOM 1372 CD1 TYR A 91 4.759 6.260 -11.483 1.00 0.00 C ATOM 1373 CD2 TYR A 91 6.684 6.739 -12.888 1.00 0.00 C ATOM 1374 CE1 TYR A 91 3.933 6.946 -12.382 1.00 0.00 C ATOM 1375 CE2 TYR A 91 5.862 7.436 -13.790 1.00 0.00 C ATOM 1376 CZ TYR A 91 4.477 7.546 -13.538 1.00 0.00 C ATOM 1377 OH TYR A 91 3.663 8.240 -14.383 1.00 0.00 O ATOM 0 H TYR A 91 4.697 4.496 -9.010 1.00 0.00 H new ATOM 0 HA TYR A 91 7.551 4.743 -8.831 1.00 0.00 H new ATOM 0 HB2 TYR A 91 8.015 6.006 -10.735 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.345 4.473 -11.256 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.332 5.806 -10.601 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.741 6.648 -13.090 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.873 7.016 -12.190 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.289 7.886 -14.674 1.00 0.00 H new ATOM 0 HH TYR A 91 4.191 8.592 -15.130 1.00 0.00 H new ATOM 1387 N GLY A 92 6.846 7.503 -8.754 1.00 0.00 N ATOM 1388 CA GLY A 92 6.485 8.747 -8.104 1.00 0.00 C ATOM 1389 C GLY A 92 6.937 8.752 -6.650 1.00 0.00 C ATOM 1390 O GLY A 92 7.680 7.873 -6.204 1.00 0.00 O ATOM 0 H GLY A 92 7.668 7.581 -9.353 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.940 9.584 -8.633 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.405 8.888 -8.154 1.00 0.00 H new ATOM 1394 N TYR A 93 6.513 9.782 -5.921 1.00 0.00 N ATOM 1395 CA TYR A 93 6.897 9.991 -4.533 1.00 0.00 C ATOM 1396 C TYR A 93 5.916 10.929 -3.837 1.00 0.00 C ATOM 1397 O TYR A 93 5.254 11.743 -4.486 1.00 0.00 O ATOM 1398 CB TYR A 93 8.321 10.577 -4.461 1.00 0.00 C ATOM 1399 CG TYR A 93 8.624 11.742 -5.389 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.352 13.064 -4.988 1.00 0.00 C ATOM 1401 CD2 TYR A 93 9.209 11.501 -6.649 1.00 0.00 C ATOM 1402 CE1 TYR A 93 8.657 14.140 -5.840 1.00 0.00 C ATOM 1403 CE2 TYR A 93 9.514 12.571 -7.508 1.00 0.00 C ATOM 1404 CZ TYR A 93 9.237 13.898 -7.107 1.00 0.00 C ATOM 1405 OH TYR A 93 9.516 14.948 -7.930 1.00 0.00 O ATOM 0 H TYR A 93 5.887 10.501 -6.284 1.00 0.00 H new ATOM 0 HA TYR A 93 6.878 9.028 -4.023 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.505 10.900 -3.437 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.030 9.777 -4.675 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.907 13.252 -4.022 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.424 10.488 -6.956 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.448 15.152 -5.527 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.959 12.380 -8.473 1.00 0.00 H new ATOM 0 HH TYR A 93 9.912 14.615 -8.762 1.00 0.00 H new ATOM 1415 N SER A 94 5.821 10.793 -2.515 1.00 0.00 N ATOM 1416 CA SER A 94 5.139 11.750 -1.656 1.00 0.00 C ATOM 1417 C SER A 94 6.141 12.884 -1.395 1.00 0.00 C ATOM 1418 O SER A 94 7.349 12.690 -1.580 1.00 0.00 O ATOM 1419 CB SER A 94 4.717 11.019 -0.373 1.00 0.00 C ATOM 1420 OG SER A 94 4.464 11.884 0.707 1.00 0.00 O ATOM 0 H SER A 94 6.222 10.004 -2.008 1.00 0.00 H new ATOM 0 HA SER A 94 4.236 12.171 -2.099 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.821 10.432 -0.576 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.501 10.316 -0.090 1.00 0.00 H new ATOM 0 HG SER A 94 3.503 11.896 0.899 1.00 0.00 H new ATOM 1426 N MET A 95 5.685 14.046 -0.919 1.00 0.00 N ATOM 1427 CA MET A 95 6.590 15.088 -0.442 1.00 0.00 C ATOM 1428 C MET A 95 6.637 15.096 1.086 1.00 0.00 C ATOM 1429 O MET A 95 7.695 15.391 1.644 1.00 0.00 O ATOM 1430 CB MET A 95 6.233 16.463 -1.020 1.00 0.00 C ATOM 1431 CG MET A 95 4.827 16.943 -0.652 1.00 0.00 C ATOM 1432 SD MET A 95 4.493 18.685 -1.061 1.00 0.00 S ATOM 1433 CE MET A 95 4.600 18.640 -2.874 1.00 0.00 C ATOM 0 H MET A 95 4.696 14.286 -0.855 1.00 0.00 H new ATOM 0 HA MET A 95 7.593 14.858 -0.803 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.960 17.195 -0.668 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.321 16.424 -2.106 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.097 16.316 -1.164 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.676 16.799 0.418 1.00 0.00 H new ATOM 0 HE1 MET A 95 4.331 19.616 -3.279 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.619 18.392 -3.172 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.915 17.885 -3.260 1.00 0.00 H new ATOM 1443 N ALA A 96 5.548 14.729 1.775 1.00 0.00 N ATOM 1444 CA ALA A 96 5.579 14.588 3.227 1.00 0.00 C ATOM 1445 C ALA A 96 6.351 13.334 3.660 1.00 0.00 C ATOM 1446 O ALA A 96 6.915 13.328 4.758 1.00 0.00 O ATOM 1447 CB ALA A 96 4.154 14.559 3.781 1.00 0.00 C ATOM 0 H ALA A 96 4.643 14.527 1.349 1.00 0.00 H new ATOM 0 HA ALA A 96 6.104 15.451 3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.187 14.453 4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.644 15.487 3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.613 13.716 3.351 1.00 0.00 H new ATOM 1453 N TYR A 97 6.411 12.298 2.813 1.00 0.00 N ATOM 1454 CA TYR A 97 6.920 10.976 3.181 1.00 0.00 C ATOM 1455 C TYR A 97 7.906 10.388 2.160 1.00 0.00 C ATOM 1456 O TYR A 97 8.470 9.322 2.414 1.00 0.00 O ATOM 1457 CB TYR A 97 5.727 10.032 3.402 1.00 0.00 C ATOM 1458 CG TYR A 97 4.644 10.579 4.319 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.848 10.614 5.712 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.441 11.078 3.781 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.844 11.103 6.568 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.427 11.545 4.629 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.619 11.561 6.029 1.00 0.00 C ATOM 1464 OH TYR A 97 1.631 12.039 6.837 1.00 0.00 O ATOM 0 H TYR A 97 6.103 12.358 1.842 1.00 0.00 H new ATOM 0 HA TYR A 97 7.494 11.087 4.101 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.281 9.799 2.435 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.096 9.094 3.817 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.782 10.263 6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.300 11.101 2.711 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.008 11.129 7.635 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.495 11.894 4.210 1.00 0.00 H new ATOM 0 HH TYR A 97 0.863 12.309 6.291 1.00 0.00 H new ATOM 1474 N GLY A 98 8.163 11.069 1.037 1.00 0.00 N ATOM 1475 CA GLY A 98 9.156 10.644 0.052 1.00 0.00 C ATOM 1476 C GLY A 98 8.704 9.430 -0.772 1.00 0.00 C ATOM 1477 O GLY A 98 7.550 8.997 -0.667 1.00 0.00 O ATOM 0 H GLY A 98 7.684 11.934 0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.369 11.474 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.087 10.402 0.564 1.00 0.00 H new ATOM 1481 N PRO A 99 9.583 8.886 -1.633 1.00 0.00 N ATOM 1482 CA PRO A 99 9.321 7.646 -2.350 1.00 0.00 C ATOM 1483 C PRO A 99 9.316 6.460 -1.382 1.00 0.00 C ATOM 1484 O PRO A 99 10.112 6.403 -0.439 1.00 0.00 O ATOM 1485 CB PRO A 99 10.456 7.501 -3.371 1.00 0.00 C ATOM 1486 CG PRO A 99 11.608 8.293 -2.754 1.00 0.00 C ATOM 1487 CD PRO A 99 10.913 9.392 -1.948 1.00 0.00 C ATOM 0 HA PRO A 99 8.346 7.665 -2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.726 6.456 -3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.172 7.901 -4.344 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.229 7.663 -2.117 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.260 8.712 -3.521 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.469 9.618 -1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.852 10.316 -2.522 1.00 0.00 H new ATOM 1495 N ALA A 100 8.430 5.497 -1.634 1.00 0.00 N ATOM 1496 CA ALA A 100 8.444 4.206 -0.960 1.00 0.00 C ATOM 1497 C ALA A 100 9.611 3.350 -1.489 1.00 0.00 C ATOM 1498 O ALA A 100 10.300 3.735 -2.438 1.00 0.00 O ATOM 1499 CB ALA A 100 7.107 3.519 -1.233 1.00 0.00 C ATOM 0 H ALA A 100 7.679 5.595 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 100 8.583 4.335 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.090 2.548 -0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.295 4.136 -0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.981 3.382 -2.307 1.00 0.00 H new ATOM 1505 N GLN A 101 9.798 2.151 -0.920 1.00 0.00 N ATOM 1506 CA GLN A 101 10.754 1.173 -1.450 1.00 0.00 C ATOM 1507 C GLN A 101 10.367 0.709 -2.862 1.00 0.00 C ATOM 1508 O GLN A 101 11.245 0.324 -3.630 1.00 0.00 O ATOM 1509 CB GLN A 101 10.847 -0.062 -0.533 1.00 0.00 C ATOM 1510 CG GLN A 101 11.356 0.213 0.889 1.00 0.00 C ATOM 1511 CD GLN A 101 12.742 0.864 0.914 1.00 0.00 C ATOM 1512 OE1 GLN A 101 12.878 2.070 1.099 1.00 0.00 O ATOM 1513 NE2 GLN A 101 13.800 0.092 0.717 1.00 0.00 N ATOM 0 H GLN A 101 9.297 1.836 -0.089 1.00 0.00 H new ATOM 0 HA GLN A 101 11.721 1.674 -1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.860 -0.519 -0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.506 -0.793 -1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 101 10.647 0.862 1.404 1.00 0.00 H new ATOM 0 HG3 GLN A 101 11.391 -0.725 1.444 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.679 -0.909 0.564 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.735 0.499 0.718 1.00 0.00 H new ATOM 1522 N HIS A 102 9.065 0.718 -3.183 1.00 0.00 N ATOM 1523 CA HIS A 102 8.419 0.242 -4.409 1.00 0.00 C ATOM 1524 C HIS A 102 8.594 -1.247 -4.736 1.00 0.00 C ATOM 1525 O HIS A 102 7.663 -1.843 -5.274 1.00 0.00 O ATOM 1526 CB HIS A 102 8.726 1.174 -5.585 1.00 0.00 C ATOM 1527 CG HIS A 102 8.176 2.564 -5.369 1.00 0.00 C ATOM 1528 ND1 HIS A 102 6.887 2.872 -5.024 1.00 0.00 N flip ATOM 1529 CD2 HIS A 102 8.885 3.745 -5.372 1.00 0.00 C flip ATOM 1530 CE1 HIS A 102 6.800 4.255 -4.837 1.00 0.00 C flip ATOM 1531 NE2 HIS A 102 8.036 4.734 -5.042 1.00 0.00 N flip ATOM 0 H HIS A 102 8.377 1.093 -2.530 1.00 0.00 H new ATOM 0 HA HIS A 102 7.350 0.294 -4.205 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.805 1.230 -5.730 1.00 0.00 H new ATOM 0 HB3 HIS A 102 8.303 0.755 -6.498 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.935 3.857 -5.599 1.00 0.00 H new ATOM 0 HE1 HIS A 102 5.917 4.822 -4.580 1.00 0.00 H new ATOM 0 HE2 HIS A 102 8.297 5.717 -4.959 1.00 0.00 H new ATOM 1539 N ALA A 103 9.700 -1.878 -4.338 1.00 0.00 N ATOM 1540 CA ALA A 103 9.919 -3.313 -4.474 1.00 0.00 C ATOM 1541 C ALA A 103 8.883 -4.098 -3.662 1.00 0.00 C ATOM 1542 O ALA A 103 8.331 -5.090 -4.134 1.00 0.00 O ATOM 1543 CB ALA A 103 11.336 -3.641 -3.985 1.00 0.00 C ATOM 0 H ALA A 103 10.484 -1.392 -3.903 1.00 0.00 H new ATOM 0 HA ALA A 103 9.811 -3.600 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.515 -4.712 -4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.064 -3.096 -4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.437 -3.348 -2.940 1.00 0.00 H new ATOM 1549 N ILE A 104 8.611 -3.641 -2.434 1.00 0.00 N ATOM 1550 CA ILE A 104 7.617 -4.253 -1.558 1.00 0.00 C ATOM 1551 C ILE A 104 6.248 -4.176 -2.252 1.00 0.00 C ATOM 1552 O ILE A 104 5.509 -5.163 -2.287 1.00 0.00 O ATOM 1553 CB ILE A 104 7.640 -3.555 -0.173 1.00 0.00 C ATOM 1554 CG1 ILE A 104 9.048 -3.616 0.471 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.600 -4.193 0.761 1.00 0.00 C ATOM 1556 CD1 ILE A 104 9.173 -2.849 1.793 1.00 0.00 C ATOM 0 H ILE A 104 9.078 -2.833 -2.023 1.00 0.00 H new ATOM 0 HA ILE A 104 7.840 -5.304 -1.376 1.00 0.00 H new ATOM 0 HB ILE A 104 7.388 -2.505 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.310 -4.660 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.775 -3.218 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.626 -3.694 1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.606 -4.087 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.828 -5.251 0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 104 10.190 -2.944 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.945 -1.796 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.473 -3.261 2.520 1.00 0.00 H new ATOM 1568 N SER A 105 5.929 -3.017 -2.832 1.00 0.00 N ATOM 1569 CA SER A 105 4.665 -2.753 -3.490 1.00 0.00 C ATOM 1570 C SER A 105 4.473 -3.710 -4.657 1.00 0.00 C ATOM 1571 O SER A 105 3.450 -4.391 -4.719 1.00 0.00 O ATOM 1572 CB SER A 105 4.633 -1.300 -3.984 1.00 0.00 C ATOM 1573 OG SER A 105 5.429 -0.478 -3.149 1.00 0.00 O ATOM 0 H SER A 105 6.566 -2.220 -2.853 1.00 0.00 H new ATOM 0 HA SER A 105 3.853 -2.905 -2.779 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.998 -1.250 -5.010 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.606 -0.935 -3.993 1.00 0.00 H new ATOM 0 HG SER A 105 5.056 0.428 -3.131 1.00 0.00 H new ATOM 1579 N THR A 106 5.444 -3.784 -5.572 1.00 0.00 N ATOM 1580 CA THR A 106 5.273 -4.560 -6.782 1.00 0.00 C ATOM 1581 C THR A 106 5.113 -6.031 -6.441 1.00 0.00 C ATOM 1582 O THR A 106 4.184 -6.637 -6.958 1.00 0.00 O ATOM 1583 CB THR A 106 6.409 -4.311 -7.782 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.677 -4.393 -7.164 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.251 -2.928 -8.408 1.00 0.00 C ATOM 0 H THR A 106 6.347 -3.316 -5.490 1.00 0.00 H new ATOM 0 HA THR A 106 4.359 -4.232 -7.277 1.00 0.00 H new ATOM 0 HB THR A 106 6.349 -5.084 -8.548 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.246 -3.663 -7.486 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.060 -2.755 -9.118 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.294 -2.871 -8.927 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.286 -2.169 -7.627 1.00 0.00 H new ATOM 1593 N GLU A 107 5.918 -6.604 -5.543 1.00 0.00 N ATOM 1594 CA GLU A 107 5.798 -8.021 -5.211 1.00 0.00 C ATOM 1595 C GLU A 107 4.390 -8.352 -4.693 1.00 0.00 C ATOM 1596 O GLU A 107 3.808 -9.363 -5.095 1.00 0.00 O ATOM 1597 CB GLU A 107 6.885 -8.428 -4.203 1.00 0.00 C ATOM 1598 CG GLU A 107 8.302 -8.422 -4.803 1.00 0.00 C ATOM 1599 CD GLU A 107 8.474 -9.430 -5.951 1.00 0.00 C ATOM 1600 OE1 GLU A 107 8.572 -10.650 -5.688 1.00 0.00 O ATOM 1601 OE2 GLU A 107 8.530 -9.001 -7.127 1.00 0.00 O ATOM 0 H GLU A 107 6.654 -6.111 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 107 5.949 -8.603 -6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.855 -7.748 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.663 -9.425 -3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.531 -7.421 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.024 -8.648 -4.018 1.00 0.00 H new ATOM 1608 N LYS A 108 3.802 -7.484 -3.862 1.00 0.00 N ATOM 1609 CA LYS A 108 2.450 -7.695 -3.346 1.00 0.00 C ATOM 1610 C LYS A 108 1.407 -7.533 -4.454 1.00 0.00 C ATOM 1611 O LYS A 108 0.503 -8.363 -4.559 1.00 0.00 O ATOM 1612 CB LYS A 108 2.191 -6.732 -2.177 1.00 0.00 C ATOM 1613 CG LYS A 108 3.041 -7.089 -0.947 1.00 0.00 C ATOM 1614 CD LYS A 108 2.998 -5.969 0.098 1.00 0.00 C ATOM 1615 CE LYS A 108 4.011 -6.246 1.213 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.462 -7.015 2.348 1.00 0.00 N ATOM 0 H LYS A 108 4.246 -6.626 -3.533 1.00 0.00 H new ATOM 0 HA LYS A 108 2.363 -8.717 -2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.414 -5.712 -2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.135 -6.760 -1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.676 -8.016 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.072 -7.266 -1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.219 -5.012 -0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.995 -5.892 0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.857 -6.791 0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.396 -5.296 1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.239 -7.322 2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.805 -6.416 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.955 -7.849 1.989 1.00 0.00 H new ATOM 1630 N ILE A 109 1.518 -6.501 -5.297 1.00 0.00 N ATOM 1631 CA ILE A 109 0.558 -6.266 -6.377 1.00 0.00 C ATOM 1632 C ILE A 109 0.636 -7.428 -7.382 1.00 0.00 C ATOM 1633 O ILE A 109 -0.409 -7.946 -7.767 1.00 0.00 O ATOM 1634 CB ILE A 109 0.760 -4.866 -7.016 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.571 -3.720 -5.988 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.249 -4.625 -8.161 1.00 0.00 C ATOM 1637 CD1 ILE A 109 1.202 -2.399 -6.454 1.00 0.00 C ATOM 0 H ILE A 109 2.269 -5.812 -5.250 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.457 -6.249 -5.980 1.00 0.00 H new ATOM 0 HB ILE A 109 1.783 -4.858 -7.393 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.494 -3.567 -5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.013 -4.014 -5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.084 -3.637 -8.590 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.112 -5.383 -8.932 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.265 -4.686 -7.770 1.00 0.00 H new ATOM 0 HD11 ILE A 109 1.040 -1.632 -5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.272 -2.540 -6.605 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.742 -2.087 -7.391 1.00 0.00 H new ATOM 1649 N LYS A 110 1.835 -7.902 -7.756 1.00 0.00 N ATOM 1650 CA LYS A 110 2.015 -9.059 -8.640 1.00 0.00 C ATOM 1651 C LYS A 110 1.289 -10.274 -8.064 1.00 0.00 C ATOM 1652 O LYS A 110 0.642 -11.006 -8.810 1.00 0.00 O ATOM 1653 CB LYS A 110 3.506 -9.423 -8.805 1.00 0.00 C ATOM 1654 CG LYS A 110 4.392 -8.430 -9.573 1.00 0.00 C ATOM 1655 CD LYS A 110 5.860 -8.870 -9.452 1.00 0.00 C ATOM 1656 CE LYS A 110 6.841 -7.833 -10.012 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.249 -8.235 -9.772 1.00 0.00 N ATOM 0 H LYS A 110 2.714 -7.487 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 110 1.605 -8.789 -9.613 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.933 -9.557 -7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.564 -10.387 -9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.095 -8.394 -10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.266 -7.425 -9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.094 -9.055 -8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.996 -9.814 -9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.673 -7.712 -11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.653 -6.865 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.879 -7.432 -9.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.363 -8.523 -8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.493 -9.032 -10.394 1.00 0.00 H new ATOM 1786 N VAL A 118 4.022 -6.632 -12.734 1.00 0.00 N ATOM 1787 CA VAL A 118 4.040 -5.210 -12.401 1.00 0.00 C ATOM 1788 C VAL A 118 5.518 -4.797 -12.456 1.00 0.00 C ATOM 1789 O VAL A 118 6.387 -5.641 -12.208 1.00 0.00 O ATOM 1790 CB VAL A 118 3.475 -4.973 -10.973 1.00 0.00 C ATOM 1791 CG1 VAL A 118 3.198 -3.489 -10.691 1.00 0.00 C ATOM 1792 CG2 VAL A 118 2.169 -5.719 -10.656 1.00 0.00 C ATOM 0 HA VAL A 118 3.424 -4.630 -13.089 1.00 0.00 H new ATOM 0 HB VAL A 118 4.271 -5.366 -10.341 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.805 -3.378 -9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.124 -2.922 -10.784 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.468 -3.112 -11.408 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.856 -5.489 -9.637 1.00 0.00 H new ATOM 0 HG22 VAL A 118 1.392 -5.405 -11.354 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.331 -6.793 -10.752 1.00 0.00 H new ATOM 1802 N THR A 119 5.820 -3.527 -12.711 1.00 0.00 N ATOM 1803 CA THR A 119 7.183 -2.997 -12.699 1.00 0.00 C ATOM 1804 C THR A 119 7.254 -1.737 -11.828 1.00 0.00 C ATOM 1805 O THR A 119 6.226 -1.187 -11.424 1.00 0.00 O ATOM 1806 CB THR A 119 7.650 -2.757 -14.151 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.672 -2.050 -14.897 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.941 -4.082 -14.859 1.00 0.00 C ATOM 0 H THR A 119 5.115 -2.825 -12.935 1.00 0.00 H new ATOM 0 HA THR A 119 7.867 -3.718 -12.252 1.00 0.00 H new ATOM 0 HB THR A 119 8.562 -2.162 -14.096 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.717 -1.097 -14.674 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.268 -3.885 -15.880 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.726 -4.616 -14.323 1.00 0.00 H new ATOM 0 HG23 THR A 119 7.037 -4.690 -14.879 1.00 0.00 H new ATOM 1816 N TRP A 120 8.467 -1.269 -11.524 1.00 0.00 N ATOM 1817 CA TRP A 120 8.680 0.027 -10.892 1.00 0.00 C ATOM 1818 C TRP A 120 9.979 0.641 -11.402 1.00 0.00 C ATOM 1819 O TRP A 120 10.843 -0.061 -11.937 1.00 0.00 O ATOM 1820 CB TRP A 120 8.701 -0.068 -9.354 1.00 0.00 C ATOM 1821 CG TRP A 120 9.879 -0.741 -8.719 1.00 0.00 C ATOM 1822 CD1 TRP A 120 10.033 -2.073 -8.562 1.00 0.00 C ATOM 1823 CD2 TRP A 120 11.070 -0.128 -8.128 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.229 -2.335 -7.930 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.909 -1.175 -7.632 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.531 1.200 -7.951 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 13.136 -0.922 -7.001 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.763 1.459 -7.320 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.565 0.406 -6.846 1.00 0.00 C ATOM 0 H TRP A 120 9.328 -1.782 -11.711 1.00 0.00 H new ATOM 0 HA TRP A 120 7.840 0.667 -11.161 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.635 0.944 -8.954 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.801 -0.595 -9.037 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.324 -2.822 -8.884 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.568 -3.271 -7.710 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.930 2.024 -8.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.743 -1.738 -6.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 13.096 2.479 -7.199 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.508 0.618 -6.364 1.00 0.00 H new