USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 680 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 2 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.137) USER MOD Set 1.2: A 4 LYS NZ :NH3+ -151:sc= -0.0258 (180deg=-0.373) USER MOD Single : A 7 THR OG1 : rot -132:sc= 0.128! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= -0.296 (180deg=-0.948) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 22:sc= 0.424 USER MOD Single : A 20 HIS : no HD1:sc= -14.8! C(o=-15!,f=-18!) USER MOD Single : A 21 ASN : amide:sc= -1.88! C(o=-1.9!,f=-7.7!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 58:sc= 0.65! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.241 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 1:sc= -4.13! USER MOD Single : A 58 THR OG1 : rot 179:sc= -5.08! USER MOD Single : A 59 SER OG : rot 73:sc= 0.577 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -74:sc= 0.467 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 73 TYR OH : rot 79:sc= -6.9! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -146:sc= -0.218 (180deg=-1.07) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -4.41! C(o=-4.4!,f=-11!) USER MOD Single : A 93 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 22 N LYS A 2 18.860 -0.407 2.297 1.00 0.00 N ATOM 23 CA LYS A 2 17.832 -1.485 2.364 1.00 0.00 C ATOM 24 C LYS A 2 16.645 -1.012 3.210 1.00 0.00 C ATOM 25 O LYS A 2 16.826 -0.440 4.266 1.00 0.00 O ATOM 26 CB LYS A 2 18.444 -2.737 2.996 1.00 0.00 C ATOM 27 CG LYS A 2 18.867 -2.431 4.434 1.00 0.00 C ATOM 28 CD LYS A 2 19.533 -3.667 5.043 1.00 0.00 C ATOM 29 CE LYS A 2 19.107 -3.811 6.505 1.00 0.00 C ATOM 30 NZ LYS A 2 19.569 -2.623 7.277 1.00 0.00 N ATOM 0 HA LYS A 2 17.487 -1.719 1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.721 -3.553 2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.305 -3.066 2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.557 -1.588 4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 2 17.999 -2.143 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.251 -4.558 4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.617 -3.578 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.023 -3.902 6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.530 -4.721 6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.495 -2.821 8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.559 -2.416 7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.976 -1.803 7.040 1.00 0.00 H new ATOM 44 N PRO A 3 15.464 -1.266 2.711 1.00 0.00 N ATOM 45 CA PRO A 3 14.274 -0.452 3.020 1.00 0.00 C ATOM 46 C PRO A 3 13.729 -0.810 4.406 1.00 0.00 C ATOM 47 O PRO A 3 13.081 -1.823 4.580 1.00 0.00 O ATOM 48 CB PRO A 3 13.277 -0.847 1.928 1.00 0.00 C ATOM 49 CG PRO A 3 13.719 -2.238 1.417 1.00 0.00 C ATOM 50 CD PRO A 3 15.204 -2.392 1.792 1.00 0.00 C ATOM 0 HA PRO A 3 14.479 0.618 3.039 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.262 -0.883 2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.278 -0.117 1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.120 -3.027 1.873 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.581 -2.316 0.339 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.396 -3.351 2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.844 -2.343 0.911 1.00 0.00 H new ATOM 58 N LYS A 4 13.975 0.009 5.395 1.00 0.00 N ATOM 59 CA LYS A 4 13.455 -0.304 6.753 1.00 0.00 C ATOM 60 C LYS A 4 11.966 0.036 6.804 1.00 0.00 C ATOM 61 O LYS A 4 11.575 1.087 7.273 1.00 0.00 O ATOM 62 CB LYS A 4 14.210 0.521 7.798 1.00 0.00 C ATOM 63 CG LYS A 4 15.105 -0.404 8.625 1.00 0.00 C ATOM 64 CD LYS A 4 15.633 0.351 9.847 1.00 0.00 C ATOM 65 CE LYS A 4 17.162 0.383 9.807 1.00 0.00 C ATOM 66 NZ LYS A 4 17.690 -1.007 9.909 1.00 0.00 N ATOM 0 H LYS A 4 14.510 0.874 5.320 1.00 0.00 H new ATOM 0 HA LYS A 4 13.598 -1.363 6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.813 1.286 7.308 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.505 1.039 8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.543 -1.282 8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.937 -0.760 8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.238 1.367 9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.293 -0.134 10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.503 0.846 8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.545 0.990 10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 18.626 -0.990 10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 17.040 -1.584 10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.773 -1.417 8.957 1.00 0.00 H new ATOM 80 N ILE A 5 11.134 -0.844 6.313 1.00 0.00 N ATOM 81 CA ILE A 5 9.669 -0.579 6.320 1.00 0.00 C ATOM 82 C ILE A 5 9.113 -0.813 7.724 1.00 0.00 C ATOM 83 O ILE A 5 9.148 -1.908 8.250 1.00 0.00 O ATOM 84 CB ILE A 5 8.985 -1.491 5.293 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.599 -0.940 4.953 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.846 -2.903 5.854 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.460 -0.799 3.436 1.00 0.00 C ATOM 0 H ILE A 5 11.409 -1.738 5.906 1.00 0.00 H new ATOM 0 HA ILE A 5 9.474 0.458 6.046 1.00 0.00 H new ATOM 0 HB ILE A 5 9.596 -1.523 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.827 -1.606 5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.454 0.028 5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.359 -3.541 5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.834 -3.302 6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.245 -2.876 6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.472 -0.406 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.223 -0.115 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.586 -1.775 2.967 1.00 0.00 H new ATOM 99 N LEU A 6 8.617 0.229 8.339 1.00 0.00 N ATOM 100 CA LEU A 6 8.074 0.106 9.719 1.00 0.00 C ATOM 101 C LEU A 6 6.673 -0.503 9.679 1.00 0.00 C ATOM 102 O LEU A 6 6.337 -1.336 10.497 1.00 0.00 O ATOM 103 CB LEU A 6 8.006 1.492 10.363 1.00 0.00 C ATOM 104 CG LEU A 6 9.354 1.822 11.004 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.449 1.788 9.937 1.00 0.00 C ATOM 106 CD2 LEU A 6 9.293 3.219 11.627 1.00 0.00 C ATOM 0 H LEU A 6 8.566 1.166 7.939 1.00 0.00 H new ATOM 0 HA LEU A 6 8.728 -0.541 10.303 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.755 2.242 9.613 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.218 1.517 11.115 1.00 0.00 H new ATOM 0 HG LEU A 6 9.578 1.087 11.777 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.410 2.023 10.394 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.493 0.794 9.492 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.226 2.522 9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.254 3.456 12.084 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.069 3.953 10.853 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.513 3.244 12.388 1.00 0.00 H new ATOM 118 N THR A 7 5.847 -0.112 8.743 1.00 0.00 N ATOM 119 CA THR A 7 4.483 -0.711 8.698 1.00 0.00 C ATOM 120 C THR A 7 4.622 -2.238 8.743 1.00 0.00 C ATOM 121 O THR A 7 5.717 -2.764 8.785 1.00 0.00 O ATOM 122 CB THR A 7 3.780 -0.299 7.410 1.00 0.00 C ATOM 123 OG1 THR A 7 2.416 -0.692 7.472 1.00 0.00 O ATOM 124 CG2 THR A 7 4.462 -0.987 6.236 1.00 0.00 C ATOM 0 H THR A 7 6.052 0.581 8.023 1.00 0.00 H new ATOM 0 HA THR A 7 3.895 -0.362 9.547 1.00 0.00 H new ATOM 0 HB THR A 7 3.835 0.782 7.283 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.171 -1.154 6.643 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.967 -0.700 5.308 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.509 -0.687 6.197 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.399 -2.068 6.361 1.00 0.00 H new ATOM 132 N ALA A 8 3.535 -2.962 8.740 1.00 0.00 N ATOM 133 CA ALA A 8 3.652 -4.451 8.793 1.00 0.00 C ATOM 134 C ALA A 8 2.302 -5.123 8.539 1.00 0.00 C ATOM 135 O ALA A 8 2.234 -6.238 8.061 1.00 0.00 O ATOM 136 CB ALA A 8 4.156 -4.855 10.174 1.00 0.00 C ATOM 0 H ALA A 8 2.584 -2.596 8.704 1.00 0.00 H new ATOM 0 HA ALA A 8 4.347 -4.773 8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.246 -5.940 10.226 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.131 -4.401 10.353 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.452 -4.513 10.933 1.00 0.00 H new ATOM 142 N SER A 9 1.236 -4.466 8.871 1.00 0.00 N ATOM 143 CA SER A 9 -0.117 -5.067 8.667 1.00 0.00 C ATOM 144 C SER A 9 -1.180 -4.028 8.987 1.00 0.00 C ATOM 145 O SER A 9 -1.267 -3.533 10.093 1.00 0.00 O ATOM 146 CB SER A 9 -0.286 -6.274 9.590 1.00 0.00 C ATOM 147 OG SER A 9 -1.659 -6.420 9.926 1.00 0.00 O ATOM 0 H SER A 9 1.235 -3.531 9.279 1.00 0.00 H new ATOM 0 HA SER A 9 -0.221 -5.390 7.631 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.078 -7.176 9.098 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.309 -6.142 10.493 1.00 0.00 H new ATOM 0 HG SER A 9 -1.771 -7.194 10.517 1.00 0.00 H new ATOM 153 N ARG A 10 -1.989 -3.685 8.026 1.00 0.00 N ATOM 154 CA ARG A 10 -3.035 -2.672 8.289 1.00 0.00 C ATOM 155 C ARG A 10 -4.285 -2.961 7.459 1.00 0.00 C ATOM 156 O ARG A 10 -4.438 -2.482 6.352 1.00 0.00 O ATOM 157 CB ARG A 10 -2.502 -1.282 7.937 1.00 0.00 C ATOM 158 CG ARG A 10 -2.671 -0.351 9.139 1.00 0.00 C ATOM 159 CD ARG A 10 -1.296 0.020 9.696 1.00 0.00 C ATOM 160 NE ARG A 10 -1.464 0.917 10.874 1.00 0.00 N ATOM 161 CZ ARG A 10 -0.749 2.003 10.975 1.00 0.00 C ATOM 162 NH1 ARG A 10 0.534 1.964 10.738 1.00 0.00 N ATOM 163 NH2 ARG A 10 -1.315 3.129 11.313 1.00 0.00 N ATOM 0 H ARG A 10 -1.969 -4.061 7.078 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.299 -2.711 9.346 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.450 -1.344 7.657 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.038 -0.883 7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.209 0.549 8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.267 -0.840 9.910 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.754 -0.880 9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.703 0.517 8.928 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.139 0.681 11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.977 1.084 10.474 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.093 2.813 10.817 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.317 3.160 11.499 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.755 3.978 11.392 1.00 0.00 H new ATOM 177 N LYS A 11 -5.199 -3.713 7.999 1.00 0.00 N ATOM 178 CA LYS A 11 -6.457 -3.983 7.252 1.00 0.00 C ATOM 179 C LYS A 11 -7.296 -2.714 7.331 1.00 0.00 C ATOM 180 O LYS A 11 -7.080 -1.885 8.192 1.00 0.00 O ATOM 181 CB LYS A 11 -7.226 -5.146 7.882 1.00 0.00 C ATOM 182 CG LYS A 11 -6.257 -6.283 8.212 1.00 0.00 C ATOM 183 CD LYS A 11 -7.001 -7.386 8.967 1.00 0.00 C ATOM 184 CE LYS A 11 -6.756 -7.232 10.469 1.00 0.00 C ATOM 185 NZ LYS A 11 -7.700 -8.108 11.220 1.00 0.00 N ATOM 0 H LYS A 11 -5.132 -4.150 8.918 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.235 -4.255 6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.733 -4.812 8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.997 -5.499 7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.824 -6.684 7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.431 -5.907 8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.069 -7.330 8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.660 -8.365 8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.727 -7.498 10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.894 -6.192 10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.533 -8.003 12.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.679 -7.834 10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.548 -9.099 10.944 1.00 0.00 H new ATOM 199 N ILE A 12 -8.220 -2.516 6.439 1.00 0.00 N ATOM 200 CA ILE A 12 -9.000 -1.254 6.501 1.00 0.00 C ATOM 201 C ILE A 12 -10.470 -1.473 6.156 1.00 0.00 C ATOM 202 O ILE A 12 -10.820 -1.766 5.032 1.00 0.00 O ATOM 203 CB ILE A 12 -8.409 -0.267 5.503 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.917 -0.067 5.793 1.00 0.00 C ATOM 205 CG2 ILE A 12 -9.145 1.062 5.621 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.734 0.577 7.169 1.00 0.00 C ATOM 0 H ILE A 12 -8.466 -3.157 5.685 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.945 -0.873 7.521 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.521 -0.656 4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.400 -1.026 5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.470 0.564 5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.727 1.774 4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.203 0.912 5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.032 1.452 6.633 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.671 0.716 7.367 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.236 1.544 7.188 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.164 -0.070 7.934 1.00 0.00 H new ATOM 218 N LYS A 13 -11.338 -1.273 7.107 1.00 0.00 N ATOM 219 CA LYS A 13 -12.788 -1.409 6.823 1.00 0.00 C ATOM 220 C LYS A 13 -13.261 -0.075 6.244 1.00 0.00 C ATOM 221 O LYS A 13 -13.830 0.748 6.934 1.00 0.00 O ATOM 222 CB LYS A 13 -13.546 -1.711 8.118 1.00 0.00 C ATOM 223 CG LYS A 13 -13.093 -0.742 9.212 1.00 0.00 C ATOM 224 CD LYS A 13 -14.184 -0.632 10.279 1.00 0.00 C ATOM 225 CE LYS A 13 -14.550 -2.030 10.780 1.00 0.00 C ATOM 226 NZ LYS A 13 -13.307 -2.773 11.133 1.00 0.00 N ATOM 0 H LYS A 13 -11.104 -1.021 8.067 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.972 -2.224 6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.619 -1.615 7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.361 -2.739 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.164 -1.093 9.661 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.889 0.239 8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.836 -0.016 11.108 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.064 -0.140 9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.202 -1.957 11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.103 -2.570 10.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.503 -3.424 11.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.981 -3.316 10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.568 -2.098 11.417 1.00 0.00 H new ATOM 240 N ILE A 14 -13.001 0.154 4.986 1.00 0.00 N ATOM 241 CA ILE A 14 -13.401 1.446 4.362 1.00 0.00 C ATOM 242 C ILE A 14 -14.896 1.405 4.020 1.00 0.00 C ATOM 243 O ILE A 14 -15.427 0.388 3.629 1.00 0.00 O ATOM 244 CB ILE A 14 -12.560 1.657 3.092 1.00 0.00 C ATOM 245 CG1 ILE A 14 -11.073 1.527 3.444 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.832 3.046 2.502 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.214 2.066 2.293 1.00 0.00 C ATOM 0 H ILE A 14 -12.528 -0.500 4.362 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.227 2.273 5.050 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.830 0.903 2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.858 2.079 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.826 0.483 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.231 3.184 1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.889 3.133 2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.570 3.810 3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.159 1.970 2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.420 1.495 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.452 3.116 2.122 1.00 0.00 H new ATOM 259 N LYS A 15 -15.590 2.499 4.180 1.00 0.00 N ATOM 260 CA LYS A 15 -17.048 2.500 3.869 1.00 0.00 C ATOM 261 C LYS A 15 -17.235 2.557 2.353 1.00 0.00 C ATOM 262 O LYS A 15 -16.485 3.208 1.654 1.00 0.00 O ATOM 263 CB LYS A 15 -17.716 3.715 4.518 1.00 0.00 C ATOM 264 CG LYS A 15 -19.217 3.457 4.657 1.00 0.00 C ATOM 265 CD LYS A 15 -19.777 4.300 5.804 1.00 0.00 C ATOM 266 CE LYS A 15 -20.820 3.488 6.572 1.00 0.00 C ATOM 267 NZ LYS A 15 -20.201 2.920 7.803 1.00 0.00 N ATOM 0 H LYS A 15 -15.213 3.387 4.511 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.506 1.592 4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.277 3.905 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.544 4.605 3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.727 3.706 3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.399 2.399 4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.972 4.603 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -20.227 5.212 5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -21.666 4.122 6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.207 2.686 5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.911 2.368 8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.407 2.302 7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.853 3.693 8.405 1.00 0.00 H new ATOM 281 N ALA A 16 -18.219 1.874 1.830 1.00 0.00 N ATOM 282 CA ALA A 16 -18.420 1.898 0.355 1.00 0.00 C ATOM 283 C ALA A 16 -18.771 3.311 -0.097 1.00 0.00 C ATOM 284 O ALA A 16 -19.562 3.999 0.518 1.00 0.00 O ATOM 285 CB ALA A 16 -19.546 0.957 -0.049 1.00 0.00 C ATOM 0 H ALA A 16 -18.885 1.307 2.355 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.494 1.574 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.677 0.989 -1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.298 -0.060 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.471 1.266 0.438 1.00 0.00 H new ATOM 291 N GLY A 17 -18.190 3.736 -1.178 1.00 0.00 N ATOM 292 CA GLY A 17 -18.466 5.102 -1.702 1.00 0.00 C ATOM 293 C GLY A 17 -17.800 6.149 -0.801 1.00 0.00 C ATOM 294 O GLY A 17 -18.433 7.089 -0.364 1.00 0.00 O ATOM 0 H GLY A 17 -17.527 3.191 -1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -18.090 5.193 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.541 5.275 -1.743 1.00 0.00 H new ATOM 298 N PHE A 18 -16.528 6.003 -0.514 1.00 0.00 N ATOM 299 CA PHE A 18 -15.858 7.017 0.367 1.00 0.00 C ATOM 300 C PHE A 18 -14.421 7.277 -0.082 1.00 0.00 C ATOM 301 O PHE A 18 -13.938 6.718 -1.049 1.00 0.00 O ATOM 302 CB PHE A 18 -15.825 6.518 1.812 1.00 0.00 C ATOM 303 CG PHE A 18 -17.198 6.634 2.415 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.198 5.759 2.004 1.00 0.00 C ATOM 305 CD2 PHE A 18 -17.467 7.608 3.382 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.480 5.849 2.557 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.749 7.704 3.937 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.756 6.823 3.525 1.00 0.00 C ATOM 0 H PHE A 18 -15.933 5.242 -0.843 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.431 7.941 0.296 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.489 5.481 1.842 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.111 7.101 2.393 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -17.985 5.009 1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.688 8.285 3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.256 5.169 2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.961 8.457 4.682 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.745 6.894 3.953 1.00 0.00 H new ATOM 318 N THR A 19 -13.735 8.126 0.641 1.00 0.00 N ATOM 319 CA THR A 19 -12.322 8.447 0.305 1.00 0.00 C ATOM 320 C THR A 19 -11.417 7.971 1.445 1.00 0.00 C ATOM 321 O THR A 19 -11.669 8.241 2.603 1.00 0.00 O ATOM 322 CB THR A 19 -12.168 9.960 0.129 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.523 10.614 1.340 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.083 10.440 -0.999 1.00 0.00 C ATOM 0 H THR A 19 -14.102 8.614 1.458 1.00 0.00 H new ATOM 0 HA THR A 19 -12.042 7.947 -0.622 1.00 0.00 H new ATOM 0 HB THR A 19 -11.133 10.194 -0.121 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.451 9.983 2.086 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.973 11.517 -1.124 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.811 9.938 -1.927 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.119 10.208 -0.751 1.00 0.00 H new ATOM 332 N HIS A 20 -10.374 7.253 1.131 1.00 0.00 N ATOM 333 CA HIS A 20 -9.465 6.748 2.204 1.00 0.00 C ATOM 334 C HIS A 20 -8.048 7.292 1.992 1.00 0.00 C ATOM 335 O HIS A 20 -7.633 7.554 0.881 1.00 0.00 O ATOM 336 CB HIS A 20 -9.430 5.222 2.136 1.00 0.00 C ATOM 337 CG HIS A 20 -9.395 4.634 3.512 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.519 4.571 4.315 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.382 4.054 4.230 1.00 0.00 C ATOM 340 CE1 HIS A 20 -10.162 3.969 5.461 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.867 3.641 5.465 1.00 0.00 N ATOM 0 H HIS A 20 -10.110 6.993 0.180 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.831 7.078 3.176 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.306 4.856 1.601 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.554 4.898 1.574 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.364 3.936 3.889 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.839 3.774 6.279 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.346 3.185 6.214 1.00 0.00 H new ATOM 349 N ASN A 21 -7.298 7.451 3.051 1.00 0.00 N ATOM 350 CA ASN A 21 -5.902 7.960 2.911 1.00 0.00 C ATOM 351 C ASN A 21 -4.935 6.917 3.480 1.00 0.00 C ATOM 352 O ASN A 21 -4.579 6.946 4.642 1.00 0.00 O ATOM 353 CB ASN A 21 -5.750 9.278 3.673 1.00 0.00 C ATOM 354 CG ASN A 21 -6.202 9.086 5.122 1.00 0.00 C ATOM 355 OD1 ASN A 21 -6.467 7.979 5.546 1.00 0.00 O ATOM 356 ND2 ASN A 21 -6.302 10.126 5.904 1.00 0.00 N ATOM 0 H ASN A 21 -7.592 7.250 4.007 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.678 8.135 1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.712 9.608 3.646 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.345 10.057 3.196 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.603 10.009 6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.079 11.055 5.548 1.00 0.00 H new ATOM 363 N LEU A 22 -4.528 5.987 2.665 1.00 0.00 N ATOM 364 CA LEU A 22 -3.603 4.912 3.125 1.00 0.00 C ATOM 365 C LEU A 22 -2.187 5.467 3.321 1.00 0.00 C ATOM 366 O LEU A 22 -1.692 6.231 2.514 1.00 0.00 O ATOM 367 CB LEU A 22 -3.584 3.827 2.056 1.00 0.00 C ATOM 368 CG LEU A 22 -2.703 2.664 2.497 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.241 1.377 1.877 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.269 2.893 2.017 1.00 0.00 C ATOM 0 H LEU A 22 -4.800 5.924 1.684 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.944 4.511 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.598 3.473 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.212 4.238 1.118 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.711 2.589 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.619 0.537 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.265 1.212 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.224 1.462 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.642 2.060 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.256 2.964 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.886 3.819 2.445 1.00 0.00 H new ATOM 382 N GLU A 23 -1.528 5.076 4.385 1.00 0.00 N ATOM 383 CA GLU A 23 -0.143 5.573 4.638 1.00 0.00 C ATOM 384 C GLU A 23 0.788 4.400 4.987 1.00 0.00 C ATOM 385 O GLU A 23 0.354 3.363 5.442 1.00 0.00 O ATOM 386 CB GLU A 23 -0.169 6.564 5.803 1.00 0.00 C ATOM 387 CG GLU A 23 1.049 7.485 5.719 1.00 0.00 C ATOM 388 CD GLU A 23 2.042 7.120 6.825 1.00 0.00 C ATOM 389 OE1 GLU A 23 2.743 6.135 6.662 1.00 0.00 O ATOM 390 OE2 GLU A 23 2.083 7.831 7.815 1.00 0.00 O ATOM 0 H GLU A 23 -1.892 4.433 5.089 1.00 0.00 H new ATOM 0 HA GLU A 23 0.229 6.064 3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.086 7.153 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.167 6.026 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.524 7.389 4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.740 8.525 5.822 1.00 0.00 H new ATOM 397 N VAL A 24 2.070 4.577 4.778 1.00 0.00 N ATOM 398 CA VAL A 24 3.070 3.503 5.086 1.00 0.00 C ATOM 399 C VAL A 24 4.449 4.149 5.219 1.00 0.00 C ATOM 400 O VAL A 24 4.662 5.249 4.751 1.00 0.00 O ATOM 401 CB VAL A 24 3.126 2.489 3.944 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.067 1.343 4.321 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.733 1.932 3.679 1.00 0.00 C ATOM 0 H VAL A 24 2.474 5.434 4.401 1.00 0.00 H new ATOM 0 HA VAL A 24 2.781 2.997 6.007 1.00 0.00 H new ATOM 0 HB VAL A 24 3.494 2.984 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.106 0.621 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.066 1.738 4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.700 0.853 5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.779 1.210 2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.360 1.441 4.578 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.062 2.746 3.405 1.00 0.00 H new ATOM 413 N ASP A 25 5.391 3.484 5.841 1.00 0.00 N ATOM 414 CA ASP A 25 6.744 4.099 5.982 1.00 0.00 C ATOM 415 C ASP A 25 7.852 3.059 5.802 1.00 0.00 C ATOM 416 O ASP A 25 7.742 1.936 6.249 1.00 0.00 O ATOM 417 CB ASP A 25 6.867 4.733 7.369 1.00 0.00 C ATOM 418 CG ASP A 25 7.910 5.852 7.329 1.00 0.00 C ATOM 419 OD1 ASP A 25 9.053 5.558 7.024 1.00 0.00 O ATOM 420 OD2 ASP A 25 7.547 6.983 7.605 1.00 0.00 O ATOM 0 H ASP A 25 5.284 2.556 6.251 1.00 0.00 H new ATOM 0 HA ASP A 25 6.858 4.856 5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.903 5.131 7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.156 3.979 8.101 1.00 0.00 H new ATOM 425 N PHE A 26 8.936 3.439 5.164 1.00 0.00 N ATOM 426 CA PHE A 26 10.068 2.480 4.982 1.00 0.00 C ATOM 427 C PHE A 26 11.313 3.222 4.492 1.00 0.00 C ATOM 428 O PHE A 26 11.295 3.901 3.490 1.00 0.00 O ATOM 429 CB PHE A 26 9.673 1.365 4.003 1.00 0.00 C ATOM 430 CG PHE A 26 9.642 1.861 2.580 1.00 0.00 C ATOM 431 CD1 PHE A 26 10.831 1.996 1.855 1.00 0.00 C ATOM 432 CD2 PHE A 26 8.414 2.153 1.974 1.00 0.00 C ATOM 433 CE1 PHE A 26 10.793 2.424 0.524 1.00 0.00 C ATOM 434 CE2 PHE A 26 8.376 2.586 0.645 1.00 0.00 C ATOM 435 CZ PHE A 26 9.566 2.719 -0.081 1.00 0.00 C ATOM 0 H PHE A 26 9.083 4.366 4.765 1.00 0.00 H new ATOM 0 HA PHE A 26 10.299 2.020 5.943 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.380 0.540 4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.693 0.973 4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.778 1.770 2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.496 2.044 2.533 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.710 2.527 -0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.430 2.818 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.537 3.050 -1.109 1.00 0.00 H new ATOM 445 N ILE A 27 12.394 3.105 5.219 1.00 0.00 N ATOM 446 CA ILE A 27 13.650 3.816 4.832 1.00 0.00 C ATOM 447 C ILE A 27 14.370 3.059 3.719 1.00 0.00 C ATOM 448 O ILE A 27 15.231 2.241 3.968 1.00 0.00 O ATOM 449 CB ILE A 27 14.568 3.912 6.054 1.00 0.00 C ATOM 450 CG1 ILE A 27 14.038 4.988 6.995 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.988 4.282 5.615 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.574 4.702 7.334 1.00 0.00 C ATOM 0 H ILE A 27 12.461 2.545 6.069 1.00 0.00 H new ATOM 0 HA ILE A 27 13.397 4.813 4.472 1.00 0.00 H new ATOM 0 HB ILE A 27 14.590 2.948 6.563 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.634 5.013 7.907 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.128 5.969 6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.634 4.348 6.491 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.371 3.518 4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 27 15.971 5.244 5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.199 5.473 8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.982 4.700 6.419 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.496 3.729 7.819 1.00 0.00 H new ATOM 464 N GLY A 28 14.039 3.340 2.494 1.00 0.00 N ATOM 465 CA GLY A 28 14.716 2.643 1.366 1.00 0.00 C ATOM 466 C GLY A 28 15.516 3.653 0.541 1.00 0.00 C ATOM 467 O GLY A 28 15.048 4.734 0.240 1.00 0.00 O ATOM 0 H GLY A 28 13.330 4.021 2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.378 1.867 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.977 2.148 0.736 1.00 0.00 H new ATOM 471 N ALA A 29 16.719 3.312 0.167 1.00 0.00 N ATOM 472 CA ALA A 29 17.533 4.254 -0.646 1.00 0.00 C ATOM 473 C ALA A 29 18.827 3.564 -1.096 1.00 0.00 C ATOM 474 O ALA A 29 19.203 2.540 -0.561 1.00 0.00 O ATOM 475 CB ALA A 29 17.866 5.496 0.180 1.00 0.00 C ATOM 0 H ALA A 29 17.170 2.425 0.389 1.00 0.00 H new ATOM 0 HA ALA A 29 16.963 4.554 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.463 6.183 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 29 16.943 5.988 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.431 5.204 1.065 1.00 0.00 H new ATOM 481 N PRO A 30 19.459 4.146 -2.085 1.00 0.00 N ATOM 482 CA PRO A 30 18.984 5.387 -2.718 1.00 0.00 C ATOM 483 C PRO A 30 17.778 5.100 -3.607 1.00 0.00 C ATOM 484 O PRO A 30 17.741 4.134 -4.343 1.00 0.00 O ATOM 485 CB PRO A 30 20.174 5.857 -3.548 1.00 0.00 C ATOM 486 CG PRO A 30 21.029 4.603 -3.803 1.00 0.00 C ATOM 487 CD PRO A 30 20.699 3.609 -2.673 1.00 0.00 C ATOM 0 HA PRO A 30 18.660 6.136 -1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.844 6.303 -4.486 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.745 6.618 -3.017 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.802 4.171 -4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.090 4.851 -3.803 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.555 2.599 -3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.502 3.558 -1.937 1.00 0.00 H new ATOM 495 N ASP A 31 16.801 5.946 -3.530 1.00 0.00 N ATOM 496 CA ASP A 31 15.565 5.778 -4.346 1.00 0.00 C ATOM 497 C ASP A 31 15.204 4.291 -4.476 1.00 0.00 C ATOM 498 O ASP A 31 15.628 3.633 -5.405 1.00 0.00 O ATOM 499 CB ASP A 31 15.793 6.369 -5.738 1.00 0.00 C ATOM 500 CG ASP A 31 17.128 5.869 -6.293 1.00 0.00 C ATOM 501 OD1 ASP A 31 17.160 4.754 -6.788 1.00 0.00 O ATOM 502 OD2 ASP A 31 18.094 6.609 -6.213 1.00 0.00 O ATOM 0 H ASP A 31 16.801 6.767 -2.924 1.00 0.00 H new ATOM 0 HA ASP A 31 14.744 6.297 -3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.980 6.082 -6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.793 7.458 -5.687 1.00 0.00 H new ATOM 507 N PRO A 32 14.418 3.813 -3.543 1.00 0.00 N ATOM 508 CA PRO A 32 13.965 2.409 -3.526 1.00 0.00 C ATOM 509 C PRO A 32 12.810 2.220 -4.512 1.00 0.00 C ATOM 510 O PRO A 32 12.494 3.101 -5.287 1.00 0.00 O ATOM 511 CB PRO A 32 13.470 2.209 -2.092 1.00 0.00 C ATOM 512 CG PRO A 32 13.126 3.617 -1.553 1.00 0.00 C ATOM 513 CD PRO A 32 13.913 4.624 -2.417 1.00 0.00 C ATOM 0 HA PRO A 32 14.745 1.703 -3.811 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.595 1.559 -2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.236 1.734 -1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.054 3.805 -1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.403 3.708 -0.503 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.274 5.436 -2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.729 5.079 -1.856 1.00 0.00 H new ATOM 521 N THR A 33 12.166 1.086 -4.479 1.00 0.00 N ATOM 522 CA THR A 33 11.021 0.860 -5.405 1.00 0.00 C ATOM 523 C THR A 33 9.892 0.158 -4.651 1.00 0.00 C ATOM 524 O THR A 33 10.004 -0.990 -4.279 1.00 0.00 O ATOM 525 CB THR A 33 11.460 -0.013 -6.579 1.00 0.00 C ATOM 526 OG1 THR A 33 12.359 0.717 -7.403 1.00 0.00 O ATOM 527 CG2 THR A 33 10.226 -0.409 -7.387 1.00 0.00 C ATOM 0 H THR A 33 12.382 0.309 -3.854 1.00 0.00 H new ATOM 0 HA THR A 33 10.674 1.821 -5.784 1.00 0.00 H new ATOM 0 HB THR A 33 11.962 -0.908 -6.210 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.642 0.156 -8.155 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.527 -1.033 -8.229 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.538 -0.965 -6.751 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.731 0.488 -7.759 1.00 0.00 H new ATOM 535 N ALA A 34 8.804 0.837 -4.422 1.00 0.00 N ATOM 536 CA ALA A 34 7.678 0.198 -3.686 1.00 0.00 C ATOM 537 C ALA A 34 6.498 -0.023 -4.631 1.00 0.00 C ATOM 538 O ALA A 34 6.168 0.819 -5.442 1.00 0.00 O ATOM 539 CB ALA A 34 7.250 1.093 -2.520 1.00 0.00 C ATOM 0 H ALA A 34 8.645 1.802 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 34 8.006 -0.766 -3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.426 0.623 -1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.091 1.234 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.928 2.061 -2.904 1.00 0.00 H new ATOM 545 N THR A 35 5.862 -1.158 -4.530 1.00 0.00 N ATOM 546 CA THR A 35 4.704 -1.449 -5.416 1.00 0.00 C ATOM 547 C THR A 35 3.453 -1.673 -4.565 1.00 0.00 C ATOM 548 O THR A 35 3.464 -2.426 -3.606 1.00 0.00 O ATOM 549 CB THR A 35 4.992 -2.708 -6.238 1.00 0.00 C ATOM 550 OG1 THR A 35 6.039 -2.441 -7.160 1.00 0.00 O ATOM 551 CG2 THR A 35 3.731 -3.120 -7.000 1.00 0.00 C ATOM 0 H THR A 35 6.097 -1.898 -3.869 1.00 0.00 H new ATOM 0 HA THR A 35 4.541 -0.606 -6.087 1.00 0.00 H new ATOM 0 HB THR A 35 5.292 -3.517 -5.572 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.225 -3.247 -7.686 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.936 -4.016 -7.585 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.928 -3.325 -6.292 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.429 -2.313 -7.667 1.00 0.00 H new ATOM 559 N TRP A 36 2.377 -1.023 -4.917 1.00 0.00 N ATOM 560 CA TRP A 36 1.112 -1.183 -4.150 1.00 0.00 C ATOM 561 C TRP A 36 0.212 -2.198 -4.875 1.00 0.00 C ATOM 562 O TRP A 36 -0.508 -1.874 -5.820 1.00 0.00 O ATOM 563 CB TRP A 36 0.409 0.171 -4.061 1.00 0.00 C ATOM 564 CG TRP A 36 0.876 0.914 -2.845 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.700 1.991 -2.846 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.552 0.655 -1.450 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.882 2.416 -1.543 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.196 1.624 -0.647 1.00 0.00 C ATOM 569 CE3 TRP A 36 -0.233 -0.315 -0.812 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.060 1.630 0.740 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.369 -0.314 0.583 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.272 0.657 1.357 1.00 0.00 C ATOM 0 H TRP A 36 2.321 -0.383 -5.710 1.00 0.00 H new ATOM 0 HA TRP A 36 1.323 -1.545 -3.144 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.616 0.757 -4.957 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.671 0.027 -4.017 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.142 2.443 -3.722 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.454 3.218 -1.277 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.737 -1.069 -1.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.560 2.382 1.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.974 -1.069 1.063 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.158 0.655 2.431 1.00 0.00 H new ATOM 583 N THR A 37 0.248 -3.434 -4.457 1.00 0.00 N ATOM 584 CA THR A 37 -0.591 -4.447 -5.144 1.00 0.00 C ATOM 585 C THR A 37 -1.869 -4.717 -4.360 1.00 0.00 C ATOM 586 O THR A 37 -1.952 -4.501 -3.170 1.00 0.00 O ATOM 587 CB THR A 37 0.184 -5.756 -5.307 1.00 0.00 C ATOM 588 OG1 THR A 37 1.270 -5.781 -4.391 1.00 0.00 O ATOM 589 CG2 THR A 37 0.718 -5.872 -6.735 1.00 0.00 C ATOM 0 H THR A 37 0.814 -3.779 -3.682 1.00 0.00 H new ATOM 0 HA THR A 37 -0.854 -4.052 -6.126 1.00 0.00 H new ATOM 0 HB THR A 37 -0.483 -6.594 -5.106 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.930 -5.679 -3.478 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.269 -6.807 -6.843 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.115 -5.859 -7.437 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.382 -5.033 -6.944 1.00 0.00 H new ATOM 597 N VAL A 38 -2.869 -5.183 -5.046 1.00 0.00 N ATOM 598 CA VAL A 38 -4.170 -5.479 -4.398 1.00 0.00 C ATOM 599 C VAL A 38 -4.224 -6.976 -4.058 1.00 0.00 C ATOM 600 O VAL A 38 -3.234 -7.673 -4.155 1.00 0.00 O ATOM 601 CB VAL A 38 -5.282 -5.096 -5.381 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.432 -6.182 -6.438 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.603 -4.926 -4.644 1.00 0.00 C ATOM 0 H VAL A 38 -2.838 -5.375 -6.047 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.296 -4.913 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.015 -4.153 -5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.224 -5.905 -7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.494 -6.293 -6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.686 -7.126 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.384 -4.654 -5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.869 -5.862 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.504 -4.140 -3.896 1.00 0.00 H new ATOM 650 N ALA A 43 -2.151 -9.341 -7.757 1.00 0.00 N ATOM 651 CA ALA A 43 -2.890 -8.260 -8.458 1.00 0.00 C ATOM 652 C ALA A 43 -2.291 -6.907 -8.078 1.00 0.00 C ATOM 653 O ALA A 43 -1.680 -6.759 -7.040 1.00 0.00 O ATOM 654 CB ALA A 43 -4.365 -8.295 -8.042 1.00 0.00 C ATOM 0 HA ALA A 43 -2.811 -8.407 -9.535 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.907 -7.502 -8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.795 -9.260 -8.308 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.443 -8.148 -6.965 1.00 0.00 H new ATOM 660 N ALA A 44 -2.472 -5.915 -8.906 1.00 0.00 N ATOM 661 CA ALA A 44 -1.929 -4.566 -8.586 1.00 0.00 C ATOM 662 C ALA A 44 -3.092 -3.579 -8.541 1.00 0.00 C ATOM 663 O ALA A 44 -4.082 -3.765 -9.220 1.00 0.00 O ATOM 664 CB ALA A 44 -0.934 -4.138 -9.666 1.00 0.00 C ATOM 0 H ALA A 44 -2.973 -5.981 -9.792 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.415 -4.588 -7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.540 -3.150 -9.427 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.114 -4.855 -9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.438 -4.103 -10.632 1.00 0.00 H new ATOM 670 N LEU A 45 -3.012 -2.529 -7.762 1.00 0.00 N ATOM 671 CA LEU A 45 -4.177 -1.591 -7.752 1.00 0.00 C ATOM 672 C LEU A 45 -3.803 -0.258 -8.398 1.00 0.00 C ATOM 673 O LEU A 45 -2.746 -0.122 -8.978 1.00 0.00 O ATOM 674 CB LEU A 45 -4.721 -1.372 -6.325 1.00 0.00 C ATOM 675 CG LEU A 45 -3.627 -0.965 -5.332 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.950 -2.211 -4.799 1.00 0.00 C ATOM 677 CD2 LEU A 45 -2.593 -0.046 -5.988 1.00 0.00 C ATOM 0 H LEU A 45 -2.227 -2.286 -7.157 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.972 -2.050 -8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.490 -0.600 -6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.199 -2.288 -5.978 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.089 -0.414 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.171 -1.927 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.686 -2.838 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.506 -2.766 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.831 0.224 -5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.125 -0.564 -6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.086 0.857 -6.349 1.00 0.00 H new ATOM 728 N LEU A 49 -8.536 3.501 -7.608 1.00 0.00 N ATOM 729 CA LEU A 49 -8.243 4.461 -6.515 1.00 0.00 C ATOM 730 C LEU A 49 -7.000 5.274 -6.879 1.00 0.00 C ATOM 731 O LEU A 49 -6.551 5.267 -8.007 1.00 0.00 O ATOM 732 CB LEU A 49 -7.991 3.685 -5.224 1.00 0.00 C ATOM 733 CG LEU A 49 -6.948 2.599 -5.485 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.580 3.074 -4.995 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.341 1.326 -4.737 1.00 0.00 C ATOM 0 HA LEU A 49 -9.088 5.136 -6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.643 4.360 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.919 3.237 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.899 2.394 -6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.837 2.298 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.298 3.982 -5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.628 3.280 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.598 0.551 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.391 1.533 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.316 0.985 -5.086 1.00 0.00 H new ATOM 747 N LEU A 50 -6.437 5.968 -5.933 1.00 0.00 N ATOM 748 CA LEU A 50 -5.218 6.774 -6.226 1.00 0.00 C ATOM 749 C LEU A 50 -4.039 6.157 -5.473 1.00 0.00 C ATOM 750 O LEU A 50 -4.222 5.314 -4.619 1.00 0.00 O ATOM 751 CB LEU A 50 -5.434 8.212 -5.755 1.00 0.00 C ATOM 752 CG LEU A 50 -5.885 9.087 -6.921 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.162 10.502 -6.406 1.00 0.00 C ATOM 754 CD2 LEU A 50 -4.783 9.133 -7.979 1.00 0.00 C ATOM 0 H LEU A 50 -6.767 6.013 -4.969 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.016 6.778 -7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.183 8.234 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.510 8.606 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.791 8.674 -7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.485 11.134 -7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.946 10.467 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.253 10.914 -5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.104 9.758 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.876 9.550 -7.542 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.582 8.124 -8.339 1.00 0.00 H new ATOM 766 N VAL A 51 -2.832 6.556 -5.772 1.00 0.00 N ATOM 767 CA VAL A 51 -1.672 5.960 -5.049 1.00 0.00 C ATOM 768 C VAL A 51 -0.458 6.890 -5.108 1.00 0.00 C ATOM 769 O VAL A 51 -0.170 7.497 -6.120 1.00 0.00 O ATOM 770 CB VAL A 51 -1.309 4.619 -5.686 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.118 4.010 -4.944 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.504 3.672 -5.585 1.00 0.00 C ATOM 0 H VAL A 51 -2.601 7.258 -6.475 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.953 5.816 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.048 4.771 -6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.142 3.053 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.735 4.686 -5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.381 3.856 -3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.249 2.714 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.760 3.520 -4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.357 4.105 -6.108 1.00 0.00 H new ATOM 782 N ASP A 52 0.266 6.984 -4.025 1.00 0.00 N ATOM 783 CA ASP A 52 1.481 7.847 -3.996 1.00 0.00 C ATOM 784 C ASP A 52 2.567 7.119 -3.201 1.00 0.00 C ATOM 785 O ASP A 52 2.282 6.258 -2.392 1.00 0.00 O ATOM 786 CB ASP A 52 1.165 9.194 -3.330 1.00 0.00 C ATOM 787 CG ASP A 52 -0.096 9.077 -2.471 1.00 0.00 C ATOM 788 OD1 ASP A 52 -1.128 8.719 -3.014 1.00 0.00 O ATOM 789 OD2 ASP A 52 -0.008 9.347 -1.284 1.00 0.00 O ATOM 0 H ASP A 52 0.065 6.496 -3.152 1.00 0.00 H new ATOM 0 HA ASP A 52 1.820 8.040 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.006 9.509 -2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.025 9.961 -4.092 1.00 0.00 H new ATOM 794 N ALA A 53 3.810 7.430 -3.420 1.00 0.00 N ATOM 795 CA ALA A 53 4.865 6.710 -2.659 1.00 0.00 C ATOM 796 C ALA A 53 6.164 7.518 -2.636 1.00 0.00 C ATOM 797 O ALA A 53 6.498 8.218 -3.571 1.00 0.00 O ATOM 798 CB ALA A 53 5.105 5.349 -3.313 1.00 0.00 C ATOM 0 H ALA A 53 4.138 8.136 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 53 4.535 6.574 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.878 4.812 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.181 4.771 -3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.428 5.493 -4.344 1.00 0.00 H new ATOM 804 N LYS A 54 6.893 7.421 -1.557 1.00 0.00 N ATOM 805 CA LYS A 54 8.176 8.175 -1.434 1.00 0.00 C ATOM 806 C LYS A 54 9.333 7.199 -1.176 1.00 0.00 C ATOM 807 O LYS A 54 9.143 6.087 -0.728 1.00 0.00 O ATOM 808 CB LYS A 54 8.072 9.164 -0.273 1.00 0.00 C ATOM 809 CG LYS A 54 6.940 10.157 -0.547 1.00 0.00 C ATOM 810 CD LYS A 54 7.531 11.530 -0.871 1.00 0.00 C ATOM 811 CE LYS A 54 6.717 12.616 -0.165 1.00 0.00 C ATOM 812 NZ LYS A 54 7.572 13.300 0.846 1.00 0.00 N ATOM 0 H LYS A 54 6.653 6.847 -0.748 1.00 0.00 H new ATOM 0 HA LYS A 54 8.367 8.716 -2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.884 8.629 0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.015 9.696 -0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.329 9.807 -1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.286 10.227 0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.572 11.574 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.522 11.696 -1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.347 13.338 -0.892 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.845 12.175 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.019 14.038 1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.904 12.606 1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.390 13.733 0.373 1.00 0.00 H new ATOM 826 N SER A 55 10.534 7.609 -1.472 1.00 0.00 N ATOM 827 CA SER A 55 11.712 6.714 -1.274 1.00 0.00 C ATOM 828 C SER A 55 11.762 6.148 0.153 1.00 0.00 C ATOM 829 O SER A 55 11.989 4.969 0.346 1.00 0.00 O ATOM 830 CB SER A 55 12.991 7.507 -1.542 1.00 0.00 C ATOM 831 OG SER A 55 13.166 8.478 -0.518 1.00 0.00 O ATOM 0 H SER A 55 10.754 8.532 -1.846 1.00 0.00 H new ATOM 0 HA SER A 55 11.623 5.877 -1.967 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.849 6.836 -1.573 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.933 7.995 -2.515 1.00 0.00 H new ATOM 0 HG SER A 55 13.986 8.987 -0.686 1.00 0.00 H new ATOM 837 N SER A 56 11.590 6.966 1.156 1.00 0.00 N ATOM 838 CA SER A 56 11.673 6.446 2.556 1.00 0.00 C ATOM 839 C SER A 56 10.277 6.188 3.133 1.00 0.00 C ATOM 840 O SER A 56 10.104 6.089 4.334 1.00 0.00 O ATOM 841 CB SER A 56 12.395 7.471 3.430 1.00 0.00 C ATOM 842 OG SER A 56 13.799 7.339 3.247 1.00 0.00 O ATOM 0 H SER A 56 11.397 7.964 1.071 1.00 0.00 H new ATOM 0 HA SER A 56 12.221 5.504 2.542 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.076 8.479 3.167 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.137 7.318 4.478 1.00 0.00 H new ATOM 0 HG SER A 56 14.265 7.996 3.805 1.00 0.00 H new ATOM 848 N THR A 57 9.280 6.071 2.310 1.00 0.00 N ATOM 849 CA THR A 57 7.916 5.825 2.856 1.00 0.00 C ATOM 850 C THR A 57 6.938 5.714 1.695 1.00 0.00 C ATOM 851 O THR A 57 7.336 5.581 0.562 1.00 0.00 O ATOM 852 CB THR A 57 7.532 7.016 3.742 1.00 0.00 C ATOM 853 OG1 THR A 57 6.372 6.712 4.494 1.00 0.00 O ATOM 854 CG2 THR A 57 7.261 8.234 2.864 1.00 0.00 C ATOM 0 H THR A 57 9.344 6.133 1.294 1.00 0.00 H new ATOM 0 HA THR A 57 7.892 4.905 3.440 1.00 0.00 H new ATOM 0 HB THR A 57 8.353 7.229 4.426 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.076 5.801 4.286 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.988 9.082 3.492 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.157 8.479 2.294 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.444 8.013 2.177 1.00 0.00 H new ATOM 862 N THR A 58 5.665 5.786 1.954 1.00 0.00 N ATOM 863 CA THR A 58 4.698 5.716 0.830 1.00 0.00 C ATOM 864 C THR A 58 3.276 5.798 1.366 1.00 0.00 C ATOM 865 O THR A 58 3.002 5.426 2.482 1.00 0.00 O ATOM 866 CB THR A 58 4.868 4.404 0.060 1.00 0.00 C ATOM 867 OG1 THR A 58 4.128 4.474 -1.149 1.00 0.00 O ATOM 868 CG2 THR A 58 4.343 3.244 0.899 1.00 0.00 C ATOM 0 H THR A 58 5.257 5.889 2.883 1.00 0.00 H new ATOM 0 HA THR A 58 4.888 6.553 0.159 1.00 0.00 H new ATOM 0 HB THR A 58 5.924 4.246 -0.158 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.247 3.643 -1.654 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.466 2.312 0.348 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.901 3.189 1.834 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.286 3.401 1.116 1.00 0.00 H new ATOM 876 N SER A 59 2.367 6.268 0.566 1.00 0.00 N ATOM 877 CA SER A 59 0.954 6.361 1.016 1.00 0.00 C ATOM 878 C SER A 59 0.076 6.360 -0.215 1.00 0.00 C ATOM 879 O SER A 59 0.434 6.893 -1.243 1.00 0.00 O ATOM 880 CB SER A 59 0.738 7.644 1.818 1.00 0.00 C ATOM 881 OG SER A 59 1.456 8.707 1.205 1.00 0.00 O ATOM 0 H SER A 59 2.541 6.594 -0.385 1.00 0.00 H new ATOM 0 HA SER A 59 0.705 5.517 1.660 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.324 7.885 1.862 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.076 7.506 2.845 1.00 0.00 H new ATOM 0 HG SER A 59 1.004 8.972 0.376 1.00 0.00 H new ATOM 887 N ILE A 60 -1.057 5.744 -0.150 1.00 0.00 N ATOM 888 CA ILE A 60 -1.893 5.702 -1.363 1.00 0.00 C ATOM 889 C ILE A 60 -3.310 6.180 -1.057 1.00 0.00 C ATOM 890 O ILE A 60 -3.687 6.370 0.082 1.00 0.00 O ATOM 891 CB ILE A 60 -1.828 4.284 -1.940 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.712 3.325 -1.145 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.375 3.795 -1.845 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.627 1.929 -1.768 1.00 0.00 C ATOM 0 H ILE A 60 -1.436 5.276 0.673 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.519 6.388 -2.123 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.178 4.306 -2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.390 3.292 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.744 3.676 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.304 2.786 -2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.271 4.462 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.060 3.790 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.256 1.240 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.970 1.970 -2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.594 1.581 -1.742 1.00 0.00 H new ATOM 906 N PHE A 61 -4.053 6.483 -2.082 1.00 0.00 N ATOM 907 CA PHE A 61 -5.404 7.077 -1.887 1.00 0.00 C ATOM 908 C PHE A 61 -6.558 6.153 -2.284 1.00 0.00 C ATOM 909 O PHE A 61 -6.417 5.250 -3.081 1.00 0.00 O ATOM 910 CB PHE A 61 -5.459 8.299 -2.782 1.00 0.00 C ATOM 911 CG PHE A 61 -5.161 9.524 -1.985 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.040 9.558 -1.157 1.00 0.00 C ATOM 913 CD2 PHE A 61 -5.999 10.629 -2.087 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.754 10.705 -0.424 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.723 11.779 -1.357 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.596 11.824 -0.520 1.00 0.00 C ATOM 0 H PHE A 61 -3.781 6.344 -3.055 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.531 7.290 -0.826 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.739 8.199 -3.594 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.445 8.382 -3.239 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.395 8.695 -1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.864 10.594 -2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.886 10.735 0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.374 12.637 -1.433 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.378 12.716 0.048 1.00 0.00 H new ATOM 926 N PHE A 62 -7.723 6.444 -1.746 1.00 0.00 N ATOM 927 CA PHE A 62 -8.958 5.671 -2.075 1.00 0.00 C ATOM 928 C PHE A 62 -10.155 6.632 -2.108 1.00 0.00 C ATOM 929 O PHE A 62 -11.174 6.334 -1.521 1.00 0.00 O ATOM 930 CB PHE A 62 -9.292 4.655 -0.983 1.00 0.00 C ATOM 931 CG PHE A 62 -8.227 3.606 -0.807 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.934 3.964 -0.416 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.556 2.257 -0.994 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.969 2.971 -0.214 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.590 1.268 -0.799 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.297 1.624 -0.408 1.00 0.00 C ATOM 0 H PHE A 62 -7.867 7.202 -1.079 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.779 5.172 -3.027 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.436 5.180 -0.039 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.237 4.168 -1.225 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.680 5.004 -0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.558 1.982 -1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.970 3.244 0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.842 0.229 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.550 0.859 -0.255 1.00 0.00 H new ATOM 946 N PRO A 63 -10.018 7.747 -2.778 1.00 0.00 N ATOM 947 CA PRO A 63 -11.108 8.738 -2.876 1.00 0.00 C ATOM 948 C PRO A 63 -12.304 8.123 -3.594 1.00 0.00 C ATOM 949 O PRO A 63 -13.400 8.647 -3.574 1.00 0.00 O ATOM 950 CB PRO A 63 -10.479 9.894 -3.659 1.00 0.00 C ATOM 951 CG PRO A 63 -9.270 9.285 -4.397 1.00 0.00 C ATOM 952 CD PRO A 63 -8.801 8.119 -3.513 1.00 0.00 C ATOM 0 HA PRO A 63 -11.491 9.074 -1.913 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.192 10.325 -4.363 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.167 10.696 -2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.551 8.937 -5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.478 10.022 -4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.420 7.289 -4.109 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.000 8.421 -2.839 1.00 0.00 H new ATOM 960 N SER A 64 -12.097 6.996 -4.204 1.00 0.00 N ATOM 961 CA SER A 64 -13.209 6.305 -4.905 1.00 0.00 C ATOM 962 C SER A 64 -13.291 4.862 -4.398 1.00 0.00 C ATOM 963 O SER A 64 -13.391 3.933 -5.174 1.00 0.00 O ATOM 964 CB SER A 64 -12.942 6.302 -6.411 1.00 0.00 C ATOM 965 OG SER A 64 -14.152 6.580 -7.103 1.00 0.00 O ATOM 0 H SER A 64 -11.197 6.518 -4.248 1.00 0.00 H new ATOM 0 HA SER A 64 -14.148 6.822 -4.709 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.188 7.048 -6.660 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.547 5.334 -6.720 1.00 0.00 H new ATOM 0 HG SER A 64 -13.984 6.580 -8.068 1.00 0.00 H new ATOM 971 N ALA A 65 -13.246 4.656 -3.102 1.00 0.00 N ATOM 972 CA ALA A 65 -13.319 3.264 -2.583 1.00 0.00 C ATOM 973 C ALA A 65 -14.777 2.831 -2.499 1.00 0.00 C ATOM 974 O ALA A 65 -15.654 3.618 -2.187 1.00 0.00 O ATOM 975 CB ALA A 65 -12.694 3.185 -1.193 1.00 0.00 C ATOM 0 H ALA A 65 -13.163 5.385 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.773 2.607 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.754 2.161 -0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.649 3.491 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.232 3.847 -0.514 1.00 0.00 H new ATOM 981 N LYS A 66 -15.029 1.580 -2.773 1.00 0.00 N ATOM 982 CA LYS A 66 -16.421 1.054 -2.720 1.00 0.00 C ATOM 983 C LYS A 66 -16.381 -0.470 -2.593 1.00 0.00 C ATOM 984 O LYS A 66 -15.326 -1.070 -2.569 1.00 0.00 O ATOM 985 CB LYS A 66 -17.162 1.441 -4.002 1.00 0.00 C ATOM 986 CG LYS A 66 -18.630 1.731 -3.678 1.00 0.00 C ATOM 987 CD LYS A 66 -19.039 3.063 -4.311 1.00 0.00 C ATOM 988 CE LYS A 66 -20.387 2.903 -5.015 1.00 0.00 C ATOM 989 NZ LYS A 66 -20.829 4.223 -5.549 1.00 0.00 N ATOM 0 H LYS A 66 -14.321 0.893 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.940 1.478 -1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.698 2.319 -4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.092 0.635 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.262 0.927 -4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.774 1.770 -2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.107 3.836 -3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.281 3.386 -5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.302 2.180 -5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.129 2.514 -4.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.746 4.114 -6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.926 4.900 -4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.124 4.577 -6.227 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.521 -1.099 -2.510 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.548 -2.584 -2.382 1.00 0.00 C ATOM 1005 C ARG A 67 -16.530 -3.202 -3.344 1.00 0.00 C ATOM 1006 O ARG A 67 -15.814 -4.120 -2.998 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.948 -3.096 -2.724 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.351 -2.594 -4.112 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.766 -3.073 -4.439 1.00 0.00 C ATOM 1010 NE ARG A 67 -20.699 -4.409 -5.095 1.00 0.00 N ATOM 1011 CZ ARG A 67 -21.326 -4.615 -6.221 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -22.572 -4.250 -6.350 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -20.707 -5.187 -7.218 1.00 0.00 N ATOM 0 H ARG A 67 -18.436 -0.649 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.295 -2.865 -1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.964 -4.186 -2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.665 -2.751 -1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -19.308 -1.505 -4.143 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.649 -2.962 -4.861 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.361 -3.133 -3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -21.261 -2.358 -5.096 1.00 0.00 H new ATOM 0 HE ARG A 67 -20.163 -5.163 -4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -23.056 -3.804 -5.571 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -23.062 -4.411 -7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -19.733 -5.473 -7.117 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -21.197 -5.348 -8.098 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.465 -2.710 -4.550 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.502 -3.268 -5.535 1.00 0.00 C ATOM 1029 C ALA A 68 -14.080 -3.184 -4.975 1.00 0.00 C ATOM 1030 O ALA A 68 -13.320 -4.130 -5.039 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.581 -2.467 -6.835 1.00 0.00 C ATOM 0 H ALA A 68 -17.041 -1.942 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.753 -4.311 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.875 -2.876 -7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.591 -2.529 -7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.333 -1.424 -6.636 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.715 -2.058 -4.427 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.343 -1.910 -3.865 1.00 0.00 C ATOM 1039 C ASP A 69 -12.108 -2.984 -2.802 1.00 0.00 C ATOM 1040 O ASP A 69 -10.986 -3.343 -2.505 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.201 -0.525 -3.230 1.00 0.00 C ATOM 1042 CG ASP A 69 -10.731 -0.106 -3.241 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -10.248 0.264 -4.298 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -10.112 -0.164 -2.191 1.00 0.00 O ATOM 0 H ASP A 69 -14.309 -1.233 -4.344 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.609 -2.023 -4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.801 0.201 -3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.577 -0.542 -2.207 1.00 0.00 H new ATOM 1049 N SER A 70 -13.159 -3.499 -2.227 1.00 0.00 N ATOM 1050 CA SER A 70 -12.999 -4.550 -1.183 1.00 0.00 C ATOM 1051 C SER A 70 -11.970 -5.581 -1.650 1.00 0.00 C ATOM 1052 O SER A 70 -12.273 -6.468 -2.423 1.00 0.00 O ATOM 1053 CB SER A 70 -14.342 -5.241 -0.946 1.00 0.00 C ATOM 1054 OG SER A 70 -14.640 -6.081 -2.053 1.00 0.00 O ATOM 0 H SER A 70 -14.123 -3.237 -2.435 1.00 0.00 H new ATOM 0 HA SER A 70 -12.658 -4.091 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.305 -5.829 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.129 -4.498 -0.817 1.00 0.00 H new ATOM 0 HG SER A 70 -14.915 -5.531 -2.816 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.755 -5.473 -1.186 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.708 -6.448 -1.604 1.00 0.00 C ATOM 1062 C GLY A 71 -8.558 -6.434 -0.594 1.00 0.00 C ATOM 1063 O GLY A 71 -8.672 -5.890 0.490 1.00 0.00 O ATOM 0 H GLY A 71 -10.442 -4.752 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.135 -7.449 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.336 -6.194 -2.597 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.448 -7.024 -0.944 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.289 -7.043 -0.008 1.00 0.00 C ATOM 1069 C ASN A 72 -5.147 -6.238 -0.623 1.00 0.00 C ATOM 1070 O ASN A 72 -4.482 -6.686 -1.533 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.835 -8.487 0.217 1.00 0.00 C ATOM 1072 CG ASN A 72 -7.047 -9.420 0.156 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -7.974 -9.281 0.928 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -7.078 -10.371 -0.738 1.00 0.00 N ATOM 0 H ASN A 72 -7.294 -7.493 -1.837 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.578 -6.607 0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.105 -8.772 -0.541 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -5.342 -8.577 1.185 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.881 -10.998 -0.788 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.299 -10.487 -1.386 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.911 -5.053 -0.139 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.815 -4.230 -0.711 1.00 0.00 C ATOM 1083 C TYR A 73 -2.472 -4.702 -0.158 1.00 0.00 C ATOM 1084 O TYR A 73 -2.009 -4.244 0.868 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.043 -2.758 -0.362 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.168 -2.224 -1.217 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.479 -2.664 -0.998 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -4.900 -1.300 -2.233 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.522 -2.178 -1.795 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -5.945 -0.815 -3.030 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.255 -1.254 -2.810 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.282 -0.778 -3.597 1.00 0.00 O ATOM 0 H TYR A 73 -5.429 -4.620 0.626 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.807 -4.340 -1.795 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.290 -2.654 0.695 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.133 -2.184 -0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.685 -3.378 -0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.889 -0.961 -2.403 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.533 -2.517 -1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.739 -0.102 -3.815 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.769 -0.080 -3.112 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.839 -5.608 -0.849 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.517 -6.109 -0.397 1.00 0.00 C ATOM 1104 C LYS A 74 0.565 -5.235 -1.024 1.00 0.00 C ATOM 1105 O LYS A 74 0.694 -5.156 -2.231 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.333 -7.560 -0.852 1.00 0.00 C ATOM 1107 CG LYS A 74 -0.180 -8.466 0.372 1.00 0.00 C ATOM 1108 CD LYS A 74 -0.432 -9.920 -0.036 1.00 0.00 C ATOM 1109 CE LYS A 74 -1.922 -10.120 -0.316 1.00 0.00 C ATOM 1110 NZ LYS A 74 -2.091 -11.049 -1.469 1.00 0.00 N ATOM 0 H LYS A 74 -2.185 -6.024 -1.713 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.451 -6.069 0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.190 -7.877 -1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.546 -7.643 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.821 -8.363 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.884 -8.168 1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.152 -10.166 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.107 -10.593 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.418 -10.525 0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.393 -9.162 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.104 -11.185 -1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.632 -10.645 -2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.655 -11.966 -1.243 1.00 0.00 H new ATOM 1124 N LEU A 75 1.336 -4.564 -0.222 1.00 0.00 N ATOM 1125 CA LEU A 75 2.397 -3.689 -0.780 1.00 0.00 C ATOM 1126 C LEU A 75 3.760 -4.333 -0.525 1.00 0.00 C ATOM 1127 O LEU A 75 3.979 -4.966 0.487 1.00 0.00 O ATOM 1128 CB LEU A 75 2.309 -2.311 -0.108 1.00 0.00 C ATOM 1129 CG LEU A 75 3.641 -1.567 -0.220 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.421 -0.197 -0.852 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.230 -1.385 1.177 1.00 0.00 C ATOM 0 H LEU A 75 1.278 -4.583 0.796 1.00 0.00 H new ATOM 0 HA LEU A 75 2.266 -3.565 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.519 -1.723 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.040 -2.430 0.942 1.00 0.00 H new ATOM 0 HG LEU A 75 4.324 -2.144 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.374 0.326 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.994 -0.320 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.737 0.384 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.180 -0.855 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.538 -0.808 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.393 -2.361 1.633 1.00 0.00 H new ATOM 1143 N LYS A 76 4.677 -4.177 -1.439 1.00 0.00 N ATOM 1144 CA LYS A 76 6.029 -4.777 -1.249 1.00 0.00 C ATOM 1145 C LYS A 76 7.083 -3.800 -1.767 1.00 0.00 C ATOM 1146 O LYS A 76 7.044 -3.386 -2.906 1.00 0.00 O ATOM 1147 CB LYS A 76 6.118 -6.090 -2.031 1.00 0.00 C ATOM 1148 CG LYS A 76 5.179 -7.122 -1.404 1.00 0.00 C ATOM 1149 CD LYS A 76 4.435 -7.875 -2.509 1.00 0.00 C ATOM 1150 CE LYS A 76 4.030 -9.259 -1.999 1.00 0.00 C ATOM 1151 NZ LYS A 76 5.254 -10.063 -1.720 1.00 0.00 N ATOM 0 H LYS A 76 4.550 -3.660 -2.309 1.00 0.00 H new ATOM 0 HA LYS A 76 6.201 -4.976 -0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.848 -5.923 -3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.142 -6.462 -2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.748 -7.822 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.467 -6.627 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.551 -7.315 -2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.070 -7.972 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.430 -9.164 -1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.411 -9.765 -2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.069 -11.063 -1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.037 -9.720 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.511 -9.968 -0.717 1.00 0.00 H new ATOM 1165 N VAL A 77 8.027 -3.422 -0.947 1.00 0.00 N ATOM 1166 CA VAL A 77 9.063 -2.466 -1.423 1.00 0.00 C ATOM 1167 C VAL A 77 10.406 -3.188 -1.552 1.00 0.00 C ATOM 1168 O VAL A 77 10.617 -4.232 -0.970 1.00 0.00 O ATOM 1169 CB VAL A 77 9.153 -1.274 -0.455 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.754 -0.937 0.065 1.00 0.00 C ATOM 1171 CG2 VAL A 77 10.056 -1.601 0.737 1.00 0.00 C ATOM 0 H VAL A 77 8.124 -3.731 0.020 1.00 0.00 H new ATOM 0 HA VAL A 77 8.791 -2.080 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 77 9.575 -0.426 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.815 -0.092 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.107 -0.678 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.342 -1.800 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.102 -0.741 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.652 -2.458 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.058 -1.837 0.380 1.00 0.00 H new ATOM 1181 N LYS A 78 11.309 -2.657 -2.330 1.00 0.00 N ATOM 1182 CA LYS A 78 12.621 -3.336 -2.507 1.00 0.00 C ATOM 1183 C LYS A 78 13.736 -2.298 -2.646 1.00 0.00 C ATOM 1184 O LYS A 78 13.492 -1.132 -2.902 1.00 0.00 O ATOM 1185 CB LYS A 78 12.580 -4.204 -3.767 1.00 0.00 C ATOM 1186 CG LYS A 78 11.162 -4.738 -3.980 1.00 0.00 C ATOM 1187 CD LYS A 78 11.065 -5.390 -5.361 1.00 0.00 C ATOM 1188 CE LYS A 78 12.207 -6.394 -5.532 1.00 0.00 C ATOM 1189 NZ LYS A 78 12.115 -7.026 -6.879 1.00 0.00 N ATOM 0 H LYS A 78 11.195 -1.786 -2.848 1.00 0.00 H new ATOM 0 HA LYS A 78 12.818 -3.959 -1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.893 -3.620 -4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.281 -5.033 -3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.915 -5.464 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.440 -3.926 -3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.104 -5.893 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.116 -4.628 -6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.168 -5.891 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.154 -7.157 -4.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.891 -7.709 -6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.204 -7.519 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.186 -6.292 -7.612 1.00 0.00 H new ATOM 1203 N ASN A 79 14.961 -2.721 -2.483 1.00 0.00 N ATOM 1204 CA ASN A 79 16.107 -1.779 -2.605 1.00 0.00 C ATOM 1205 C ASN A 79 17.330 -2.525 -3.148 1.00 0.00 C ATOM 1206 O ASN A 79 18.419 -2.430 -2.617 1.00 0.00 O ATOM 1207 CB ASN A 79 16.436 -1.190 -1.233 1.00 0.00 C ATOM 1208 CG ASN A 79 16.884 0.262 -1.401 1.00 0.00 C ATOM 1209 OD1 ASN A 79 16.195 1.173 -0.989 1.00 0.00 O ATOM 1210 ND2 ASN A 79 18.016 0.519 -1.997 1.00 0.00 N ATOM 0 H ASN A 79 15.217 -3.685 -2.269 1.00 0.00 H new ATOM 0 HA ASN A 79 15.840 -0.974 -3.290 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.562 -1.240 -0.584 1.00 0.00 H new ATOM 0 HB3 ASN A 79 17.223 -1.772 -0.754 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.322 1.485 -2.117 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.595 -0.246 -2.343 1.00 0.00 H new ATOM 1217 N GLU A 80 17.155 -3.259 -4.211 1.00 0.00 N ATOM 1218 CA GLU A 80 18.299 -4.006 -4.812 1.00 0.00 C ATOM 1219 C GLU A 80 18.975 -4.901 -3.762 1.00 0.00 C ATOM 1220 O GLU A 80 18.534 -6.002 -3.498 1.00 0.00 O ATOM 1221 CB GLU A 80 19.316 -3.008 -5.370 1.00 0.00 C ATOM 1222 CG GLU A 80 20.546 -3.763 -5.880 1.00 0.00 C ATOM 1223 CD GLU A 80 21.057 -3.100 -7.160 1.00 0.00 C ATOM 1224 OE1 GLU A 80 20.234 -2.704 -7.968 1.00 0.00 O ATOM 1225 OE2 GLU A 80 22.264 -2.999 -7.310 1.00 0.00 O ATOM 0 H GLU A 80 16.264 -3.375 -4.693 1.00 0.00 H new ATOM 0 HA GLU A 80 17.923 -4.640 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 80 18.869 -2.431 -6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 80 19.607 -2.298 -4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.328 -3.762 -5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.292 -4.805 -6.074 1.00 0.00 H new ATOM 1232 N LEU A 81 20.055 -4.449 -3.177 1.00 0.00 N ATOM 1233 CA LEU A 81 20.769 -5.287 -2.167 1.00 0.00 C ATOM 1234 C LEU A 81 19.882 -5.525 -0.946 1.00 0.00 C ATOM 1235 O LEU A 81 20.195 -6.326 -0.087 1.00 0.00 O ATOM 1236 CB LEU A 81 22.053 -4.578 -1.734 1.00 0.00 C ATOM 1237 CG LEU A 81 23.177 -4.913 -2.717 1.00 0.00 C ATOM 1238 CD1 LEU A 81 23.607 -3.643 -3.454 1.00 0.00 C ATOM 1239 CD2 LEU A 81 24.371 -5.485 -1.949 1.00 0.00 C ATOM 0 H LEU A 81 20.473 -3.536 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 81 21.012 -6.250 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.893 -3.500 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 81 22.331 -4.889 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 81 22.821 -5.648 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 81 24.408 -3.882 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.757 -3.234 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 81 23.963 -2.907 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 81 25.172 -5.724 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 81 24.726 -4.749 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 81 24.066 -6.390 -1.424 1.00 0.00 H new ATOM 1251 N GLY A 82 18.779 -4.844 -0.859 1.00 0.00 N ATOM 1252 CA GLY A 82 17.875 -5.040 0.310 1.00 0.00 C ATOM 1253 C GLY A 82 16.430 -5.102 -0.179 1.00 0.00 C ATOM 1254 O GLY A 82 16.174 -5.154 -1.364 1.00 0.00 O ATOM 0 H GLY A 82 18.461 -4.159 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.134 -5.959 0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.997 -4.222 1.020 1.00 0.00 H new ATOM 1258 N GLU A 83 15.480 -5.092 0.716 1.00 0.00 N ATOM 1259 CA GLU A 83 14.060 -5.142 0.274 1.00 0.00 C ATOM 1260 C GLU A 83 13.138 -5.428 1.461 1.00 0.00 C ATOM 1261 O GLU A 83 13.461 -6.194 2.347 1.00 0.00 O ATOM 1262 CB GLU A 83 13.892 -6.241 -0.778 1.00 0.00 C ATOM 1263 CG GLU A 83 14.722 -7.463 -0.378 1.00 0.00 C ATOM 1264 CD GLU A 83 13.811 -8.686 -0.264 1.00 0.00 C ATOM 1265 OE1 GLU A 83 13.596 -9.336 -1.275 1.00 0.00 O ATOM 1266 OE2 GLU A 83 13.344 -8.953 0.831 1.00 0.00 O ATOM 0 H GLU A 83 15.625 -5.052 1.725 1.00 0.00 H new ATOM 0 HA GLU A 83 13.792 -4.176 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.841 -6.516 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.210 -5.876 -1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.501 -7.645 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.223 -7.280 0.573 1.00 0.00 H new ATOM 1273 N ASP A 84 11.983 -4.816 1.473 1.00 0.00 N ATOM 1274 CA ASP A 84 11.021 -5.043 2.586 1.00 0.00 C ATOM 1275 C ASP A 84 9.617 -5.222 2.001 1.00 0.00 C ATOM 1276 O ASP A 84 9.416 -5.118 0.806 1.00 0.00 O ATOM 1277 CB ASP A 84 11.041 -3.840 3.530 1.00 0.00 C ATOM 1278 CG ASP A 84 11.964 -4.140 4.713 1.00 0.00 C ATOM 1279 OD1 ASP A 84 13.167 -4.151 4.512 1.00 0.00 O ATOM 1280 OD2 ASP A 84 11.453 -4.357 5.799 1.00 0.00 O ATOM 0 H ASP A 84 11.665 -4.165 0.755 1.00 0.00 H new ATOM 0 HA ASP A 84 11.301 -5.937 3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.387 -2.953 3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.033 -3.626 3.886 1.00 0.00 H new ATOM 1285 N GLU A 85 8.641 -5.494 2.820 1.00 0.00 N ATOM 1286 CA GLU A 85 7.267 -5.684 2.279 1.00 0.00 C ATOM 1287 C GLU A 85 6.234 -5.395 3.366 1.00 0.00 C ATOM 1288 O GLU A 85 6.381 -5.791 4.505 1.00 0.00 O ATOM 1289 CB GLU A 85 7.104 -7.126 1.796 1.00 0.00 C ATOM 1290 CG GLU A 85 8.271 -7.494 0.878 1.00 0.00 C ATOM 1291 CD GLU A 85 8.066 -8.908 0.333 1.00 0.00 C ATOM 1292 OE1 GLU A 85 7.781 -9.791 1.125 1.00 0.00 O ATOM 1293 OE2 GLU A 85 8.197 -9.084 -0.867 1.00 0.00 O ATOM 0 H GLU A 85 8.733 -5.592 3.831 1.00 0.00 H new ATOM 0 HA GLU A 85 7.114 -4.998 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.071 -7.804 2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.160 -7.237 1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.339 -6.782 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.211 -7.437 1.427 1.00 0.00 H new ATOM 1300 N ALA A 86 5.187 -4.704 3.016 1.00 0.00 N ATOM 1301 CA ALA A 86 4.136 -4.380 4.015 1.00 0.00 C ATOM 1302 C ALA A 86 2.777 -4.869 3.508 1.00 0.00 C ATOM 1303 O ALA A 86 2.523 -4.905 2.320 1.00 0.00 O ATOM 1304 CB ALA A 86 4.092 -2.868 4.213 1.00 0.00 C ATOM 0 H ALA A 86 5.014 -4.348 2.076 1.00 0.00 H new ATOM 0 HA ALA A 86 4.363 -4.871 4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.323 -2.619 4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.061 -2.520 4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.860 -2.383 3.265 1.00 0.00 H new ATOM 1310 N ILE A 87 1.901 -5.243 4.400 1.00 0.00 N ATOM 1311 CA ILE A 87 0.559 -5.728 3.970 1.00 0.00 C ATOM 1312 C ILE A 87 -0.501 -4.695 4.363 1.00 0.00 C ATOM 1313 O ILE A 87 -0.418 -4.065 5.398 1.00 0.00 O ATOM 1314 CB ILE A 87 0.264 -7.081 4.643 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.261 -7.297 4.778 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.929 -7.124 6.021 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -1.783 -6.725 6.107 1.00 0.00 C ATOM 0 H ILE A 87 2.057 -5.234 5.408 1.00 0.00 H new ATOM 0 HA ILE A 87 0.541 -5.861 2.888 1.00 0.00 H new ATOM 0 HB ILE A 87 0.669 -7.881 4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.775 -6.818 3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.487 -8.362 4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.719 -8.082 6.496 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.006 -7.002 5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.535 -6.318 6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.858 -6.890 6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.285 -7.223 6.938 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.577 -5.656 6.149 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.502 -4.527 3.544 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.576 -3.549 3.867 1.00 0.00 C ATOM 1331 C PHE A 88 -3.903 -4.074 3.328 1.00 0.00 C ATOM 1332 O PHE A 88 -4.106 -4.167 2.136 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.259 -2.203 3.215 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.019 -1.626 3.846 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -1.113 -0.912 5.047 1.00 0.00 C ATOM 1336 CD2 PHE A 88 0.225 -1.808 3.234 1.00 0.00 C ATOM 1337 CE1 PHE A 88 0.040 -0.380 5.634 1.00 0.00 C ATOM 1338 CE2 PHE A 88 1.377 -1.276 3.822 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.285 -0.563 5.021 1.00 0.00 C ATOM 0 H PHE A 88 -1.622 -5.027 2.663 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.640 -3.418 4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.110 -2.331 2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.098 -1.518 3.341 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.074 -0.772 5.519 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.296 -2.359 2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.030 0.172 6.560 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.338 -1.416 3.350 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.175 -0.153 5.475 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.814 -4.417 4.192 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.122 -4.931 3.706 1.00 0.00 C ATOM 1351 C GLU A 89 -7.071 -3.753 3.523 1.00 0.00 C ATOM 1352 O GLU A 89 -6.976 -2.762 4.214 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.705 -5.913 4.725 1.00 0.00 C ATOM 1354 CG GLU A 89 -6.858 -7.290 4.078 1.00 0.00 C ATOM 1355 CD GLU A 89 -6.184 -8.346 4.957 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -6.813 -8.788 5.904 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -5.051 -8.693 4.668 1.00 0.00 O ATOM 0 H GLU A 89 -4.712 -4.365 5.205 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.987 -5.450 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.053 -5.979 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.673 -5.556 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.914 -7.528 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.409 -7.288 3.085 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.983 -3.837 2.598 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.918 -2.699 2.398 1.00 0.00 C ATOM 1366 C VAL A 90 -10.300 -3.230 2.041 1.00 0.00 C ATOM 1367 O VAL A 90 -10.667 -3.311 0.887 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.410 -1.804 1.271 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.266 -0.540 1.212 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.952 -1.421 1.539 1.00 0.00 C ATOM 0 H VAL A 90 -8.121 -4.635 1.978 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.978 -2.119 3.319 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.474 -2.337 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.909 0.104 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.305 -0.812 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.196 -0.009 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.590 -0.782 0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.885 -0.885 2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.342 -2.323 1.588 1.00 0.00 H new ATOM 1380 N ILE A 91 -11.079 -3.579 3.024 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.439 -4.089 2.735 1.00 0.00 C ATOM 1382 C ILE A 91 -13.369 -2.901 2.546 1.00 0.00 C ATOM 1383 O ILE A 91 -13.030 -1.777 2.870 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.935 -4.955 3.894 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -12.206 -6.300 3.874 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.439 -5.189 3.741 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -12.451 -7.035 5.193 1.00 0.00 C ATOM 0 H ILE A 91 -10.831 -3.532 4.012 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.420 -4.699 1.832 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.737 -4.449 4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.559 -6.904 3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.137 -6.144 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.797 -5.806 4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.959 -4.231 3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.634 -5.697 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.931 -7.993 5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -12.077 -6.432 6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -13.520 -7.204 5.322 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.532 -3.126 2.010 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.456 -1.992 1.789 1.00 0.00 C ATOM 1401 C VAL A 92 -16.887 -2.395 2.130 1.00 0.00 C ATOM 1402 O VAL A 92 -17.393 -3.397 1.666 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.358 -1.566 0.331 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -15.960 -0.169 0.163 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -13.881 -1.543 -0.067 1.00 0.00 C ATOM 0 H VAL A 92 -14.878 -4.040 1.718 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.180 -1.160 2.437 1.00 0.00 H new ATOM 0 HB VAL A 92 -15.905 -2.264 -0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -15.889 0.135 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.007 -0.185 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.413 0.540 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -13.790 -1.240 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.345 -0.835 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.454 -2.538 0.060 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.541 -1.613 2.942 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.944 -1.936 3.325 1.00 0.00 C ATOM 1417 C GLN A 93 -19.810 -0.682 3.185 1.00 0.00 C ATOM 1418 O GLN A 93 -20.665 -0.671 2.315 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.980 -2.420 4.776 1.00 0.00 C ATOM 1420 CG GLN A 93 -17.958 -1.635 5.601 1.00 0.00 C ATOM 1421 CD GLN A 93 -18.316 -1.734 7.085 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -17.494 -2.114 7.895 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -19.516 -1.407 7.478 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.603 0.245 3.951 1.00 0.00 O ATOM 0 H GLN A 93 -17.164 -0.762 3.358 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.328 -2.720 2.672 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -19.979 -2.285 5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -18.758 -3.486 4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -16.957 -2.030 5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -17.946 -0.591 5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -20.206 -1.088 6.798 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -19.764 -1.470 8.465 1.00 0.00 H new