USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 772 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 59 CYS SG : rot 180:sc= -0.265 USER MOD Set 1.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 3 LYS NZ :NH3+ -175:sc= 0.0723 (180deg=0) USER MOD Set 2.2: A 5 ASN : amide:sc= -0.145 K(o=-0.072,f=-2.3) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0385) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.113 USER MOD Single : A 11 GLN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.00094) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0655 X(o=-0.066,f=-0.19) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.9!) USER MOD Single : A 33 THR OG1 : rot 95:sc= 0.596 USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= 0.00507 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0884 K(o=-0.088,f=-1.6!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -173:sc=-0.00512 (180deg=-0.0923) USER MOD Single : A 60 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.7) USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00479) USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= -0.0403 (180deg=-0.39) USER MOD Single : A 83 SER OG : rot -106:sc= -0.246 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.438 -5.482 12.043 1.00 0.00 N ATOM 2 CA MET A 1 -9.989 -4.928 10.738 1.00 0.00 C ATOM 3 C MET A 1 -10.950 -5.314 9.618 1.00 0.00 C ATOM 4 O MET A 1 -11.733 -6.253 9.752 1.00 0.00 O ATOM 5 CB MET A 1 -8.584 -5.462 10.441 1.00 0.00 C ATOM 6 CG MET A 1 -7.575 -4.370 10.123 1.00 0.00 C ATOM 7 SD MET A 1 -6.459 -4.825 8.780 1.00 0.00 S ATOM 8 CE MET A 1 -7.287 -4.073 7.381 1.00 0.00 C ATOM 0 H1 MET A 1 -9.767 -5.205 12.787 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.382 -5.110 12.272 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.480 -6.519 11.984 1.00 0.00 H new ATOM 0 HA MET A 1 -9.972 -3.840 10.794 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.231 -6.032 11.300 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.637 -6.153 9.600 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.106 -3.457 9.855 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.991 -4.149 11.016 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.787 -4.370 6.459 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.326 -4.402 7.353 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.253 -2.988 7.478 1.00 0.00 H new ATOM 20 N LEU A 2 -10.885 -4.578 8.512 1.00 0.00 N ATOM 21 CA LEU A 2 -11.750 -4.842 7.368 1.00 0.00 C ATOM 22 C LEU A 2 -11.132 -5.886 6.445 1.00 0.00 C ATOM 23 O LEU A 2 -9.955 -6.226 6.576 1.00 0.00 O ATOM 24 CB LEU A 2 -12.011 -3.551 6.591 1.00 0.00 C ATOM 25 CG LEU A 2 -12.980 -2.576 7.261 1.00 0.00 C ATOM 26 CD1 LEU A 2 -12.604 -1.140 6.935 1.00 0.00 C ATOM 27 CD2 LEU A 2 -14.410 -2.866 6.829 1.00 0.00 C ATOM 0 H LEU A 2 -10.243 -3.796 8.384 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.696 -5.231 7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.060 -3.042 6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.403 -3.810 5.607 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.912 -2.711 8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.305 -0.461 7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.595 -0.938 7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.642 -0.990 5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -15.087 -2.163 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.492 -2.760 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.677 -3.883 7.115 1.00 0.00 H new ATOM 39 N LYS A 3 -11.931 -6.391 5.512 1.00 0.00 N ATOM 40 CA LYS A 3 -11.463 -7.395 4.564 1.00 0.00 C ATOM 41 C LYS A 3 -10.299 -6.861 3.738 1.00 0.00 C ATOM 42 O LYS A 3 -10.237 -5.670 3.435 1.00 0.00 O ATOM 43 CB LYS A 3 -12.605 -7.821 3.639 1.00 0.00 C ATOM 44 CG LYS A 3 -12.538 -9.280 3.218 1.00 0.00 C ATOM 45 CD LYS A 3 -11.779 -9.451 1.912 1.00 0.00 C ATOM 46 CE LYS A 3 -12.502 -8.784 0.752 1.00 0.00 C ATOM 47 NZ LYS A 3 -11.933 -9.187 -0.563 1.00 0.00 N ATOM 0 H LYS A 3 -12.907 -6.121 5.392 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.118 -8.261 5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.555 -7.640 4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.592 -7.194 2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.053 -9.863 4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.548 -9.674 3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.781 -9.025 2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.653 -10.513 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.560 -9.045 0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.438 -7.701 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.396 -8.647 -1.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.911 -8.992 -0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.093 -10.203 -0.714 1.00 0.00 H new ATOM 61 N LEU A 4 -9.380 -7.748 3.375 1.00 0.00 N ATOM 62 CA LEU A 4 -8.218 -7.364 2.580 1.00 0.00 C ATOM 63 C LEU A 4 -8.210 -8.092 1.242 1.00 0.00 C ATOM 64 O LEU A 4 -8.679 -9.226 1.138 1.00 0.00 O ATOM 65 CB LEU A 4 -6.926 -7.663 3.345 1.00 0.00 C ATOM 66 CG LEU A 4 -5.654 -7.094 2.710 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.001 -6.077 3.634 1.00 0.00 C ATOM 68 CD2 LEU A 4 -4.676 -8.212 2.373 1.00 0.00 C ATOM 0 H LEU A 4 -9.416 -8.738 3.618 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.279 -6.292 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.019 -7.265 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.817 -8.744 3.436 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.932 -6.589 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.099 -5.685 3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.696 -5.259 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.739 -6.557 4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.779 -7.787 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.407 -8.747 3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.142 -8.903 1.671 1.00 0.00 H new ATOM 80 N ASN A 5 -7.674 -7.434 0.220 1.00 0.00 N ATOM 81 CA ASN A 5 -7.607 -8.020 -1.113 1.00 0.00 C ATOM 82 C ASN A 5 -6.220 -7.830 -1.723 1.00 0.00 C ATOM 83 O ASN A 5 -5.385 -7.110 -1.175 1.00 0.00 O ATOM 84 CB ASN A 5 -8.668 -7.395 -2.020 1.00 0.00 C ATOM 85 CG ASN A 5 -9.398 -8.430 -2.853 1.00 0.00 C ATOM 86 OD1 ASN A 5 -9.744 -9.505 -2.365 1.00 0.00 O ATOM 87 ND2 ASN A 5 -9.638 -8.108 -4.119 1.00 0.00 N ATOM 0 H ASN A 5 -7.280 -6.496 0.289 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.800 -9.089 -1.024 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.388 -6.850 -1.410 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.195 -6.668 -2.681 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.127 -8.764 -4.728 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.333 -7.205 -4.482 1.00 0.00 H new ATOM 94 N LEU A 6 -5.984 -8.479 -2.857 1.00 0.00 N ATOM 95 CA LEU A 6 -4.700 -8.383 -3.540 1.00 0.00 C ATOM 96 C LEU A 6 -4.894 -8.248 -5.047 1.00 0.00 C ATOM 97 O LEU A 6 -5.203 -9.221 -5.733 1.00 0.00 O ATOM 98 CB LEU A 6 -3.840 -9.612 -3.232 1.00 0.00 C ATOM 99 CG LEU A 6 -3.596 -9.875 -1.745 1.00 0.00 C ATOM 100 CD1 LEU A 6 -3.549 -11.370 -1.469 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.307 -9.206 -1.290 1.00 0.00 C ATOM 0 H LEU A 6 -6.666 -9.078 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.189 -7.491 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.318 -10.490 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.876 -9.496 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.423 -9.447 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.375 -11.538 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.497 -11.823 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.741 -11.821 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.149 -9.403 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.469 -9.604 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.378 -8.130 -1.452 1.00 0.00 H new ATOM 113 N LYS A 7 -4.709 -7.034 -5.555 1.00 0.00 N ATOM 114 CA LYS A 7 -4.864 -6.770 -6.982 1.00 0.00 C ATOM 115 C LYS A 7 -3.636 -7.237 -7.756 1.00 0.00 C ATOM 116 O LYS A 7 -2.591 -7.520 -7.171 1.00 0.00 O ATOM 117 CB LYS A 7 -5.095 -5.276 -7.222 1.00 0.00 C ATOM 118 CG LYS A 7 -6.478 -4.803 -6.815 1.00 0.00 C ATOM 119 CD LYS A 7 -7.483 -4.982 -7.940 1.00 0.00 C ATOM 120 CE LYS A 7 -7.502 -3.775 -8.867 1.00 0.00 C ATOM 121 NZ LYS A 7 -8.639 -2.861 -8.570 1.00 0.00 N ATOM 0 H LYS A 7 -4.452 -6.217 -5.001 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.730 -7.327 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.348 -4.708 -6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.942 -5.058 -8.279 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.810 -5.359 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.434 -3.752 -6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.236 -5.877 -8.511 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.477 -5.136 -7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.563 -3.229 -8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.569 -4.113 -9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.615 -2.053 -9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.536 -3.374 -8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.562 -2.517 -7.592 1.00 0.00 H new ATOM 135 N LYS A 8 -3.770 -7.319 -9.076 1.00 0.00 N ATOM 136 CA LYS A 8 -2.671 -7.751 -9.931 1.00 0.00 C ATOM 137 C LYS A 8 -1.477 -6.814 -9.793 1.00 0.00 C ATOM 138 O LYS A 8 -0.326 -7.255 -9.788 1.00 0.00 O ATOM 139 CB LYS A 8 -3.124 -7.807 -11.392 1.00 0.00 C ATOM 140 CG LYS A 8 -4.181 -8.864 -11.664 1.00 0.00 C ATOM 141 CD LYS A 8 -4.899 -8.605 -12.980 1.00 0.00 C ATOM 142 CE LYS A 8 -5.728 -9.804 -13.411 1.00 0.00 C ATOM 143 NZ LYS A 8 -5.177 -10.450 -14.633 1.00 0.00 N ATOM 0 H LYS A 8 -4.629 -7.092 -9.577 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.367 -8.749 -9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.516 -6.831 -11.679 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.258 -8.001 -12.025 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.715 -9.849 -11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.905 -8.875 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.545 -7.733 -12.877 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.168 -8.370 -13.754 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.763 -10.532 -12.600 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.754 -9.487 -13.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.771 -11.263 -14.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.167 -9.764 -15.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.207 -10.776 -14.446 1.00 0.00 H new ATOM 157 N SER A 9 -1.756 -5.520 -9.682 1.00 0.00 N ATOM 158 CA SER A 9 -0.704 -4.519 -9.544 1.00 0.00 C ATOM 159 C SER A 9 -0.010 -4.641 -8.191 1.00 0.00 C ATOM 160 O SER A 9 1.180 -4.352 -8.065 1.00 0.00 O ATOM 161 CB SER A 9 -1.285 -3.112 -9.707 1.00 0.00 C ATOM 162 OG SER A 9 -0.256 -2.152 -9.882 1.00 0.00 O ATOM 0 H SER A 9 -2.702 -5.139 -9.685 1.00 0.00 H new ATOM 0 HA SER A 9 0.034 -4.694 -10.327 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.957 -3.090 -10.565 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.879 -2.857 -8.830 1.00 0.00 H new ATOM 0 HG SER A 9 -0.653 -1.262 -9.985 1.00 0.00 H new ATOM 168 N PHE A 10 -0.762 -5.069 -7.182 1.00 0.00 N ATOM 169 CA PHE A 10 -0.218 -5.228 -5.838 1.00 0.00 C ATOM 170 C PHE A 10 0.539 -6.545 -5.709 1.00 0.00 C ATOM 171 O PHE A 10 1.569 -6.616 -5.038 1.00 0.00 O ATOM 172 CB PHE A 10 -1.340 -5.169 -4.802 1.00 0.00 C ATOM 173 CG PHE A 10 -0.854 -5.269 -3.384 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.670 -6.507 -2.787 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.582 -4.127 -2.648 1.00 0.00 C ATOM 176 CE1 PHE A 10 -0.221 -6.602 -1.484 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.135 -4.217 -1.344 1.00 0.00 C ATOM 178 CZ PHE A 10 0.047 -5.456 -0.761 1.00 0.00 C ATOM 0 H PHE A 10 -1.749 -5.312 -7.269 1.00 0.00 H new ATOM 0 HA PHE A 10 0.479 -4.410 -5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.888 -4.235 -4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.044 -5.979 -4.994 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.880 -7.407 -3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.721 -3.156 -3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.080 -7.572 -1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.072 -3.319 -0.781 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.398 -5.528 0.258 1.00 0.00 H new ATOM 188 N GLN A 11 0.024 -7.586 -6.356 1.00 0.00 N ATOM 189 CA GLN A 11 0.651 -8.903 -6.312 1.00 0.00 C ATOM 190 C GLN A 11 2.094 -8.838 -6.806 1.00 0.00 C ATOM 191 O GLN A 11 2.968 -9.534 -6.291 1.00 0.00 O ATOM 192 CB GLN A 11 -0.146 -9.898 -7.156 1.00 0.00 C ATOM 193 CG GLN A 11 -1.359 -10.467 -6.440 1.00 0.00 C ATOM 194 CD GLN A 11 -2.098 -11.498 -7.271 1.00 0.00 C ATOM 195 OE1 GLN A 11 -1.912 -12.702 -7.096 1.00 0.00 O ATOM 196 NE2 GLN A 11 -2.942 -11.028 -8.183 1.00 0.00 N ATOM 0 H GLN A 11 -0.827 -7.543 -6.917 1.00 0.00 H new ATOM 0 HA GLN A 11 0.658 -9.240 -5.275 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.473 -9.405 -8.072 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.509 -10.718 -7.451 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.042 -10.922 -5.502 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.040 -9.655 -6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.065 -10.021 -8.294 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.467 -11.674 -8.773 1.00 0.00 H new ATOM 205 N LYS A 12 2.335 -7.996 -7.805 1.00 0.00 N ATOM 206 CA LYS A 12 3.673 -7.841 -8.368 1.00 0.00 C ATOM 207 C LYS A 12 4.454 -6.744 -7.641 1.00 0.00 C ATOM 208 O LYS A 12 5.679 -6.673 -7.732 1.00 0.00 O ATOM 209 CB LYS A 12 3.587 -7.515 -9.860 1.00 0.00 C ATOM 210 CG LYS A 12 3.506 -8.746 -10.747 1.00 0.00 C ATOM 211 CD LYS A 12 2.819 -8.434 -12.067 1.00 0.00 C ATOM 212 CE LYS A 12 3.829 -8.122 -13.160 1.00 0.00 C ATOM 213 NZ LYS A 12 4.220 -6.685 -13.162 1.00 0.00 N ATOM 0 H LYS A 12 1.623 -7.411 -8.242 1.00 0.00 H new ATOM 0 HA LYS A 12 4.203 -8.785 -8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.711 -6.891 -10.037 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.460 -6.928 -10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.510 -9.125 -10.938 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.961 -9.535 -10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.205 -9.283 -12.369 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.148 -7.585 -11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.716 -8.739 -13.021 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.407 -8.385 -14.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.315 -6.352 -14.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.490 -6.126 -12.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.128 -6.572 -12.669 1.00 0.00 H new ATOM 227 N ASP A 13 3.737 -5.892 -6.923 1.00 0.00 N ATOM 228 CA ASP A 13 4.357 -4.801 -6.180 1.00 0.00 C ATOM 229 C ASP A 13 4.711 -5.230 -4.758 1.00 0.00 C ATOM 230 O ASP A 13 5.501 -4.576 -4.081 1.00 0.00 O ATOM 231 CB ASP A 13 3.423 -3.590 -6.141 1.00 0.00 C ATOM 232 CG ASP A 13 3.665 -2.636 -7.293 1.00 0.00 C ATOM 233 OD1 ASP A 13 4.841 -2.301 -7.550 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.680 -2.221 -7.939 1.00 0.00 O ATOM 0 H ASP A 13 2.721 -5.934 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 13 5.279 -4.529 -6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.388 -3.932 -6.167 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.560 -3.059 -5.199 1.00 0.00 H new ATOM 239 N PHE A 14 4.111 -6.328 -4.311 1.00 0.00 N ATOM 240 CA PHE A 14 4.354 -6.841 -2.972 1.00 0.00 C ATOM 241 C PHE A 14 5.502 -7.846 -2.960 1.00 0.00 C ATOM 242 O PHE A 14 6.556 -7.585 -2.392 1.00 0.00 O ATOM 243 CB PHE A 14 3.083 -7.489 -2.414 1.00 0.00 C ATOM 244 CG PHE A 14 3.279 -8.155 -1.080 1.00 0.00 C ATOM 245 CD1 PHE A 14 3.129 -7.439 0.097 1.00 0.00 C ATOM 246 CD2 PHE A 14 3.614 -9.497 -1.005 1.00 0.00 C ATOM 247 CE1 PHE A 14 3.309 -8.049 1.323 1.00 0.00 C ATOM 248 CE2 PHE A 14 3.796 -10.113 0.219 1.00 0.00 C ATOM 249 CZ PHE A 14 3.644 -9.388 1.385 1.00 0.00 C ATOM 0 H PHE A 14 3.451 -6.880 -4.860 1.00 0.00 H new ATOM 0 HA PHE A 14 4.636 -6.000 -2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.309 -6.727 -2.320 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.718 -8.227 -3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.868 -6.392 0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.734 -10.069 -1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.188 -7.480 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.057 -11.160 0.264 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.787 -9.867 2.343 1.00 0.00 H new ATOM 259 N ASP A 15 5.275 -9.004 -3.573 1.00 0.00 N ATOM 260 CA ASP A 15 6.281 -10.058 -3.615 1.00 0.00 C ATOM 261 C ASP A 15 7.180 -9.956 -4.847 1.00 0.00 C ATOM 262 O ASP A 15 8.387 -10.176 -4.754 1.00 0.00 O ATOM 263 CB ASP A 15 5.606 -11.432 -3.579 1.00 0.00 C ATOM 264 CG ASP A 15 6.343 -12.415 -2.692 1.00 0.00 C ATOM 265 OD1 ASP A 15 6.857 -11.991 -1.635 1.00 0.00 O ATOM 266 OD2 ASP A 15 6.405 -13.609 -3.053 1.00 0.00 O ATOM 0 H ASP A 15 4.402 -9.235 -4.048 1.00 0.00 H new ATOM 0 HA ASP A 15 6.914 -9.933 -2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.582 -11.321 -3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.549 -11.832 -4.591 1.00 0.00 H new ATOM 271 N LYS A 16 6.596 -9.643 -6.002 1.00 0.00 N ATOM 272 CA LYS A 16 7.380 -9.544 -7.231 1.00 0.00 C ATOM 273 C LYS A 16 8.285 -8.321 -7.206 1.00 0.00 C ATOM 274 O LYS A 16 9.339 -8.306 -7.843 1.00 0.00 O ATOM 275 CB LYS A 16 6.469 -9.510 -8.459 1.00 0.00 C ATOM 276 CG LYS A 16 7.121 -10.072 -9.712 1.00 0.00 C ATOM 277 CD LYS A 16 6.238 -11.111 -10.385 1.00 0.00 C ATOM 278 CE LYS A 16 6.459 -12.495 -9.800 1.00 0.00 C ATOM 279 NZ LYS A 16 7.441 -13.285 -10.596 1.00 0.00 N ATOM 0 H LYS A 16 5.599 -9.456 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 16 8.009 -10.432 -7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.563 -10.076 -8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.165 -8.481 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.327 -9.261 -10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.080 -10.521 -9.454 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.191 -10.829 -10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.447 -11.130 -11.455 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.814 -12.403 -8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.509 -13.029 -9.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.564 -14.223 -10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.091 -13.395 -11.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.355 -12.789 -10.611 1.00 0.00 H new ATOM 293 N LEU A 17 7.886 -7.302 -6.452 1.00 0.00 N ATOM 294 CA LEU A 17 8.681 -6.090 -6.335 1.00 0.00 C ATOM 295 C LEU A 17 9.949 -6.383 -5.543 1.00 0.00 C ATOM 296 O LEU A 17 11.003 -5.799 -5.796 1.00 0.00 O ATOM 297 CB LEU A 17 7.870 -4.988 -5.650 1.00 0.00 C ATOM 298 CG LEU A 17 8.683 -3.806 -5.126 1.00 0.00 C ATOM 299 CD1 LEU A 17 9.347 -3.063 -6.274 1.00 0.00 C ATOM 300 CD2 LEU A 17 7.800 -2.869 -4.316 1.00 0.00 C ATOM 0 H LEU A 17 7.019 -7.293 -5.915 1.00 0.00 H new ATOM 0 HA LEU A 17 8.956 -5.746 -7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.129 -4.613 -6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.322 -5.428 -4.817 1.00 0.00 H new ATOM 0 HG LEU A 17 9.466 -4.189 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.922 -2.224 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.013 -3.740 -6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.583 -2.691 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.396 -2.033 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.994 -2.492 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.376 -3.409 -3.470 1.00 0.00 H new ATOM 312 N LEU A 18 9.833 -7.297 -4.584 1.00 0.00 N ATOM 313 CA LEU A 18 10.972 -7.674 -3.751 1.00 0.00 C ATOM 314 C LEU A 18 12.092 -8.269 -4.601 1.00 0.00 C ATOM 315 O LEU A 18 13.270 -8.139 -4.269 1.00 0.00 O ATOM 316 CB LEU A 18 10.547 -8.681 -2.676 1.00 0.00 C ATOM 317 CG LEU A 18 9.731 -8.109 -1.508 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.075 -6.788 -1.885 1.00 0.00 C ATOM 319 CD2 LEU A 18 8.690 -9.118 -1.044 1.00 0.00 C ATOM 0 H LEU A 18 8.967 -7.789 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 18 11.342 -6.772 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.961 -9.467 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.443 -9.152 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 18 10.415 -7.912 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.505 -6.410 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.844 -6.065 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.406 -6.943 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.120 -8.698 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.015 -9.350 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.188 -10.030 -0.716 1.00 0.00 H new ATOM 331 N LEU A 19 11.716 -8.923 -5.695 1.00 0.00 N ATOM 332 CA LEU A 19 12.688 -9.538 -6.590 1.00 0.00 C ATOM 333 C LEU A 19 13.196 -8.535 -7.620 1.00 0.00 C ATOM 334 O LEU A 19 14.352 -8.594 -8.042 1.00 0.00 O ATOM 335 CB LEU A 19 12.067 -10.745 -7.298 1.00 0.00 C ATOM 336 CG LEU A 19 11.739 -11.929 -6.390 1.00 0.00 C ATOM 337 CD1 LEU A 19 10.659 -12.798 -7.017 1.00 0.00 C ATOM 338 CD2 LEU A 19 12.990 -12.748 -6.111 1.00 0.00 C ATOM 0 H LEU A 19 10.745 -9.041 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 19 13.535 -9.872 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.152 -10.424 -7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.752 -11.082 -8.076 1.00 0.00 H new ATOM 0 HG LEU A 19 11.362 -11.544 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.438 -13.637 -6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.756 -12.206 -7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.008 -13.175 -7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.738 -13.587 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.396 -13.124 -7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.734 -12.120 -5.620 1.00 0.00 H new ATOM 350 N ASN A 20 12.328 -7.611 -8.020 1.00 0.00 N ATOM 351 CA ASN A 20 12.690 -6.593 -9.000 1.00 0.00 C ATOM 352 C ASN A 20 13.841 -5.726 -8.492 1.00 0.00 C ATOM 353 O ASN A 20 14.522 -5.063 -9.277 1.00 0.00 O ATOM 354 CB ASN A 20 11.479 -5.717 -9.323 1.00 0.00 C ATOM 355 CG ASN A 20 11.783 -4.673 -10.379 1.00 0.00 C ATOM 356 OD1 ASN A 20 12.405 -4.967 -11.399 1.00 0.00 O ATOM 357 ND2 ASN A 20 11.344 -3.442 -10.138 1.00 0.00 N ATOM 0 H ASN A 20 11.368 -7.546 -7.680 1.00 0.00 H new ATOM 0 HA ASN A 20 13.018 -7.099 -9.908 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.659 -6.348 -9.666 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.140 -5.221 -8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.519 -2.697 -10.812 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.832 -3.242 -9.279 1.00 0.00 H new ATOM 364 N GLY A 21 14.053 -5.734 -7.180 1.00 0.00 N ATOM 365 CA GLY A 21 15.123 -4.944 -6.596 1.00 0.00 C ATOM 366 C GLY A 21 14.668 -4.153 -5.383 1.00 0.00 C ATOM 367 O GLY A 21 15.145 -3.043 -5.145 1.00 0.00 O ATOM 0 H GLY A 21 13.504 -6.273 -6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 21 15.942 -5.604 -6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.515 -4.258 -7.347 1.00 0.00 H new ATOM 371 N PHE A 22 13.743 -4.725 -4.618 1.00 0.00 N ATOM 372 CA PHE A 22 13.221 -4.070 -3.427 1.00 0.00 C ATOM 373 C PHE A 22 13.635 -4.829 -2.167 1.00 0.00 C ATOM 374 O PHE A 22 13.750 -6.055 -2.180 1.00 0.00 O ATOM 375 CB PHE A 22 11.697 -3.973 -3.511 1.00 0.00 C ATOM 376 CG PHE A 22 11.054 -3.393 -2.282 1.00 0.00 C ATOM 377 CD1 PHE A 22 10.938 -4.147 -1.125 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.565 -2.097 -2.287 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.346 -3.617 0.005 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.972 -1.561 -1.159 1.00 0.00 C ATOM 381 CZ PHE A 22 9.863 -2.322 -0.011 1.00 0.00 C ATOM 0 H PHE A 22 13.340 -5.643 -4.804 1.00 0.00 H new ATOM 0 HA PHE A 22 13.639 -3.065 -3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.429 -3.361 -4.372 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.289 -4.968 -3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.314 -5.159 -1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.648 -1.499 -3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.261 -4.214 0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.595 -0.549 -1.175 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.401 -1.906 0.872 1.00 0.00 H new ATOM 391 N ASP A 23 13.858 -4.093 -1.083 1.00 0.00 N ATOM 392 CA ASP A 23 14.258 -4.698 0.182 1.00 0.00 C ATOM 393 C ASP A 23 13.048 -4.941 1.079 1.00 0.00 C ATOM 394 O ASP A 23 12.480 -4.005 1.641 1.00 0.00 O ATOM 395 CB ASP A 23 15.268 -3.803 0.902 1.00 0.00 C ATOM 396 CG ASP A 23 15.961 -4.514 2.048 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.939 -5.764 2.071 1.00 0.00 O ATOM 398 OD2 ASP A 23 16.526 -3.824 2.922 1.00 0.00 O ATOM 0 H ASP A 23 13.769 -3.077 -1.055 1.00 0.00 H new ATOM 0 HA ASP A 23 14.723 -5.659 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.016 -3.457 0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.758 -2.918 1.283 1.00 0.00 H new ATOM 403 N ASP A 24 12.661 -6.208 1.209 1.00 0.00 N ATOM 404 CA ASP A 24 11.516 -6.581 2.037 1.00 0.00 C ATOM 405 C ASP A 24 11.633 -5.995 3.443 1.00 0.00 C ATOM 406 O ASP A 24 10.628 -5.794 4.124 1.00 0.00 O ATOM 407 CB ASP A 24 11.398 -8.104 2.118 1.00 0.00 C ATOM 408 CG ASP A 24 12.633 -8.750 2.716 1.00 0.00 C ATOM 409 OD1 ASP A 24 12.928 -8.483 3.901 1.00 0.00 O ATOM 410 OD2 ASP A 24 13.305 -9.522 2.001 1.00 0.00 O ATOM 0 H ASP A 24 13.123 -6.994 0.752 1.00 0.00 H new ATOM 0 HA ASP A 24 10.619 -6.172 1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.527 -8.367 2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.229 -8.506 1.119 1.00 0.00 H new ATOM 415 N SER A 25 12.863 -5.723 3.872 1.00 0.00 N ATOM 416 CA SER A 25 13.105 -5.160 5.198 1.00 0.00 C ATOM 417 C SER A 25 12.230 -3.934 5.444 1.00 0.00 C ATOM 418 O SER A 25 11.643 -3.783 6.517 1.00 0.00 O ATOM 419 CB SER A 25 14.581 -4.786 5.352 1.00 0.00 C ATOM 420 OG SER A 25 15.315 -5.840 5.950 1.00 0.00 O ATOM 0 H SER A 25 13.707 -5.883 3.322 1.00 0.00 H new ATOM 0 HA SER A 25 12.847 -5.918 5.937 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.004 -4.553 4.375 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.670 -3.886 5.961 1.00 0.00 H new ATOM 0 HG SER A 25 16.255 -5.577 6.036 1.00 0.00 H new ATOM 426 N VAL A 26 12.143 -3.063 4.445 1.00 0.00 N ATOM 427 CA VAL A 26 11.336 -1.853 4.552 1.00 0.00 C ATOM 428 C VAL A 26 9.854 -2.166 4.380 1.00 0.00 C ATOM 429 O VAL A 26 8.999 -1.558 5.023 1.00 0.00 O ATOM 430 CB VAL A 26 11.751 -0.805 3.504 1.00 0.00 C ATOM 431 CG1 VAL A 26 11.039 0.514 3.755 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.261 -0.614 3.509 1.00 0.00 C ATOM 0 H VAL A 26 12.622 -3.172 3.551 1.00 0.00 H new ATOM 0 HA VAL A 26 11.507 -1.446 5.549 1.00 0.00 H new ATOM 0 HB VAL A 26 11.457 -1.167 2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.346 1.242 3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.961 0.363 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.299 0.885 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.536 0.130 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.582 -0.275 4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.748 -1.560 3.275 1.00 0.00 H new ATOM 442 N LEU A 27 9.558 -3.124 3.506 1.00 0.00 N ATOM 443 CA LEU A 27 8.182 -3.525 3.245 1.00 0.00 C ATOM 444 C LEU A 27 7.517 -4.030 4.523 1.00 0.00 C ATOM 445 O LEU A 27 6.349 -3.743 4.784 1.00 0.00 O ATOM 446 CB LEU A 27 8.151 -4.604 2.154 1.00 0.00 C ATOM 447 CG LEU A 27 6.981 -5.590 2.230 1.00 0.00 C ATOM 448 CD1 LEU A 27 5.657 -4.862 2.057 1.00 0.00 C ATOM 449 CD2 LEU A 27 7.134 -6.680 1.180 1.00 0.00 C ATOM 0 H LEU A 27 10.255 -3.637 2.966 1.00 0.00 H new ATOM 0 HA LEU A 27 7.623 -2.657 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.125 -4.112 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.082 -5.169 2.200 1.00 0.00 H new ATOM 0 HG LEU A 27 6.988 -6.058 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.838 -5.579 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.545 -4.119 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.639 -4.366 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.294 -7.372 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.153 -6.229 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.065 -7.221 1.350 1.00 0.00 H new ATOM 461 N ASN A 28 8.272 -4.787 5.316 1.00 0.00 N ATOM 462 CA ASN A 28 7.757 -5.336 6.566 1.00 0.00 C ATOM 463 C ASN A 28 7.224 -4.231 7.471 1.00 0.00 C ATOM 464 O ASN A 28 6.171 -4.374 8.088 1.00 0.00 O ATOM 465 CB ASN A 28 8.856 -6.116 7.289 1.00 0.00 C ATOM 466 CG ASN A 28 8.300 -7.218 8.169 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.202 -7.724 7.932 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.056 -7.599 9.192 1.00 0.00 N ATOM 0 H ASN A 28 9.241 -5.033 5.115 1.00 0.00 H new ATOM 0 HA ASN A 28 6.934 -6.010 6.327 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.534 -6.549 6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.444 -5.430 7.899 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.733 -8.337 9.817 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.959 -7.153 9.352 1.00 0.00 H new ATOM 475 N GLU A 29 7.961 -3.128 7.547 1.00 0.00 N ATOM 476 CA GLU A 29 7.565 -1.995 8.379 1.00 0.00 C ATOM 477 C GLU A 29 6.229 -1.407 7.922 1.00 0.00 C ATOM 478 O GLU A 29 5.591 -0.654 8.658 1.00 0.00 O ATOM 479 CB GLU A 29 8.646 -0.914 8.348 1.00 0.00 C ATOM 480 CG GLU A 29 9.819 -1.202 9.270 1.00 0.00 C ATOM 481 CD GLU A 29 9.703 -0.488 10.602 1.00 0.00 C ATOM 482 OE1 GLU A 29 9.190 0.649 10.625 1.00 0.00 O ATOM 483 OE2 GLU A 29 10.123 -1.070 11.625 1.00 0.00 O ATOM 0 H GLU A 29 8.837 -2.993 7.042 1.00 0.00 H new ATOM 0 HA GLU A 29 7.445 -2.357 9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.014 -0.809 7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.201 0.041 8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.885 -2.276 9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.744 -0.900 8.780 1.00 0.00 H new ATOM 490 N VAL A 30 5.816 -1.745 6.704 1.00 0.00 N ATOM 491 CA VAL A 30 4.562 -1.239 6.156 1.00 0.00 C ATOM 492 C VAL A 30 3.387 -2.163 6.479 1.00 0.00 C ATOM 493 O VAL A 30 2.507 -1.813 7.267 1.00 0.00 O ATOM 494 CB VAL A 30 4.656 -1.060 4.630 1.00 0.00 C ATOM 495 CG1 VAL A 30 3.356 -0.504 4.069 1.00 0.00 C ATOM 496 CG2 VAL A 30 5.828 -0.161 4.270 1.00 0.00 C ATOM 0 H VAL A 30 6.330 -2.366 6.079 1.00 0.00 H new ATOM 0 HA VAL A 30 4.386 -0.271 6.625 1.00 0.00 H new ATOM 0 HB VAL A 30 4.825 -2.039 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.447 -0.386 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.540 -1.192 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.148 0.465 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.879 -0.046 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.692 0.816 4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.754 -0.608 4.631 1.00 0.00 H new ATOM 506 N ILE A 31 3.371 -3.332 5.847 1.00 0.00 N ATOM 507 CA ILE A 31 2.298 -4.303 6.040 1.00 0.00 C ATOM 508 C ILE A 31 2.031 -4.584 7.521 1.00 0.00 C ATOM 509 O ILE A 31 0.884 -4.782 7.921 1.00 0.00 O ATOM 510 CB ILE A 31 2.610 -5.623 5.288 1.00 0.00 C ATOM 511 CG1 ILE A 31 1.861 -5.653 3.954 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.256 -6.848 6.124 1.00 0.00 C ATOM 513 CD1 ILE A 31 2.403 -4.674 2.936 1.00 0.00 C ATOM 0 H ILE A 31 4.094 -3.632 5.193 1.00 0.00 H new ATOM 0 HA ILE A 31 1.392 -3.863 5.623 1.00 0.00 H new ATOM 0 HB ILE A 31 3.683 -5.656 5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.912 -6.660 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.808 -5.434 4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.489 -7.752 5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.833 -6.837 7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.192 -6.832 6.360 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.825 -4.750 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.327 -3.660 3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.448 -4.906 2.729 1.00 0.00 H new ATOM 525 N LEU A 32 3.086 -4.605 8.331 1.00 0.00 N ATOM 526 CA LEU A 32 2.930 -4.868 9.761 1.00 0.00 C ATOM 527 C LEU A 32 2.181 -3.729 10.459 1.00 0.00 C ATOM 528 O LEU A 32 1.779 -3.861 11.612 1.00 0.00 O ATOM 529 CB LEU A 32 4.299 -5.108 10.418 1.00 0.00 C ATOM 530 CG LEU A 32 4.877 -3.933 11.214 1.00 0.00 C ATOM 531 CD1 LEU A 32 6.249 -4.288 11.765 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.953 -2.686 10.346 1.00 0.00 C ATOM 0 H LEU A 32 4.047 -4.445 8.028 1.00 0.00 H new ATOM 0 HA LEU A 32 2.331 -5.772 9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.214 -5.966 11.085 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.011 -5.379 9.639 1.00 0.00 H new ATOM 0 HG LEU A 32 4.214 -3.725 12.053 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.645 -3.443 12.328 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.164 -5.153 12.422 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.922 -4.523 10.941 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.366 -1.862 10.928 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.594 -2.880 9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.953 -2.421 10.001 1.00 0.00 H new ATOM 544 N THR A 33 1.999 -2.613 9.757 1.00 0.00 N ATOM 545 CA THR A 33 1.296 -1.464 10.318 1.00 0.00 C ATOM 546 C THR A 33 -0.201 -1.538 10.021 1.00 0.00 C ATOM 547 O THR A 33 -1.028 -1.127 10.834 1.00 0.00 O ATOM 548 CB THR A 33 1.874 -0.162 9.758 1.00 0.00 C ATOM 549 OG1 THR A 33 3.257 -0.063 10.044 1.00 0.00 O ATOM 550 CG2 THR A 33 1.202 1.079 10.307 1.00 0.00 C ATOM 0 H THR A 33 2.328 -2.481 8.801 1.00 0.00 H new ATOM 0 HA THR A 33 1.434 -1.481 11.399 1.00 0.00 H new ATOM 0 HB THR A 33 1.694 -0.207 8.684 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.774 -0.398 9.281 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.660 1.965 9.868 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.141 1.058 10.058 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.320 1.108 11.390 1.00 0.00 H new ATOM 558 N LEU A 34 -0.538 -2.050 8.838 1.00 0.00 N ATOM 559 CA LEU A 34 -1.932 -2.163 8.416 1.00 0.00 C ATOM 560 C LEU A 34 -2.546 -3.499 8.829 1.00 0.00 C ATOM 561 O LEU A 34 -3.478 -3.546 9.631 1.00 0.00 O ATOM 562 CB LEU A 34 -2.031 -1.999 6.899 1.00 0.00 C ATOM 563 CG LEU A 34 -1.489 -0.675 6.353 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.978 -0.854 4.932 1.00 0.00 C ATOM 565 CD2 LEU A 34 -2.564 0.399 6.405 1.00 0.00 C ATOM 0 H LEU A 34 0.137 -2.393 8.155 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.492 -1.371 8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.491 -2.818 6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.077 -2.094 6.606 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.655 -0.357 6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.597 0.097 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.178 -1.594 4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.793 -1.193 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.163 1.334 6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.417 0.089 5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.883 0.545 7.437 1.00 0.00 H new ATOM 577 N ARG A 35 -2.025 -4.584 8.261 1.00 0.00 N ATOM 578 CA ARG A 35 -2.525 -5.928 8.547 1.00 0.00 C ATOM 579 C ARG A 35 -2.642 -6.191 10.049 1.00 0.00 C ATOM 580 O ARG A 35 -3.393 -7.068 10.474 1.00 0.00 O ATOM 581 CB ARG A 35 -1.615 -6.974 7.902 1.00 0.00 C ATOM 582 CG ARG A 35 -1.379 -6.736 6.420 1.00 0.00 C ATOM 583 CD ARG A 35 -1.034 -8.026 5.693 1.00 0.00 C ATOM 584 NE ARG A 35 -1.424 -7.984 4.286 1.00 0.00 N ATOM 585 CZ ARG A 35 -0.926 -8.792 3.353 1.00 0.00 C ATOM 586 NH1 ARG A 35 -0.024 -9.711 3.674 1.00 0.00 N ATOM 587 NH2 ARG A 35 -1.333 -8.684 2.096 1.00 0.00 N ATOM 0 H ARG A 35 -1.252 -4.559 7.596 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.526 -6.001 8.123 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.655 -6.979 8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.055 -7.962 8.038 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.271 -6.295 5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.570 -6.017 6.291 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.038 -8.208 5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.533 -8.862 6.182 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.120 -7.294 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.291 -9.801 4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.354 -10.328 2.955 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.028 -7.981 1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.951 -9.303 1.381 1.00 0.00 H new ATOM 601 N LYS A 36 -1.899 -5.433 10.849 1.00 0.00 N ATOM 602 CA LYS A 36 -1.927 -5.596 12.299 1.00 0.00 C ATOM 603 C LYS A 36 -2.987 -4.704 12.943 1.00 0.00 C ATOM 604 O LYS A 36 -2.912 -4.400 14.133 1.00 0.00 O ATOM 605 CB LYS A 36 -0.560 -5.264 12.882 1.00 0.00 C ATOM 606 CG LYS A 36 0.205 -6.480 13.377 1.00 0.00 C ATOM 607 CD LYS A 36 0.300 -6.498 14.895 1.00 0.00 C ATOM 608 CE LYS A 36 1.533 -5.753 15.383 1.00 0.00 C ATOM 609 NZ LYS A 36 1.235 -4.901 16.567 1.00 0.00 N ATOM 0 H LYS A 36 -1.271 -4.701 10.519 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.180 -6.634 12.514 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.035 -4.756 12.123 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.687 -4.565 13.708 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.289 -7.388 13.031 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.207 -6.480 12.949 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.594 -6.044 15.322 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.333 -7.529 15.247 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.313 -6.470 15.639 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.924 -5.131 14.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.114 -4.712 17.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.820 -4.001 16.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.562 -5.394 17.189 1.00 0.00 H new ATOM 623 N LYS A 37 -3.967 -4.288 12.148 1.00 0.00 N ATOM 624 CA LYS A 37 -5.046 -3.429 12.631 1.00 0.00 C ATOM 625 C LYS A 37 -4.508 -2.273 13.471 1.00 0.00 C ATOM 626 O LYS A 37 -4.827 -2.146 14.654 1.00 0.00 O ATOM 627 CB LYS A 37 -6.060 -4.246 13.442 1.00 0.00 C ATOM 628 CG LYS A 37 -5.452 -4.987 14.623 1.00 0.00 C ATOM 629 CD LYS A 37 -6.526 -5.593 15.514 1.00 0.00 C ATOM 630 CE LYS A 37 -6.260 -5.311 16.984 1.00 0.00 C ATOM 631 NZ LYS A 37 -7.500 -4.919 17.709 1.00 0.00 N ATOM 0 H LYS A 37 -4.038 -4.533 11.160 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.546 -3.006 11.760 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.840 -3.578 13.807 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.541 -4.968 12.782 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.793 -5.775 14.259 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.838 -4.301 15.207 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.500 -5.190 15.236 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.569 -6.670 15.352 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.831 -6.197 17.452 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.521 -4.515 17.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.275 -4.736 18.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.896 -4.058 17.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.197 -5.689 17.647 1.00 0.00 H new ATOM 645 N GLU A 38 -3.691 -1.429 12.849 1.00 0.00 N ATOM 646 CA GLU A 38 -3.108 -0.281 13.535 1.00 0.00 C ATOM 647 C GLU A 38 -3.530 1.024 12.861 1.00 0.00 C ATOM 648 O GLU A 38 -3.664 1.084 11.639 1.00 0.00 O ATOM 649 CB GLU A 38 -1.582 -0.394 13.553 1.00 0.00 C ATOM 650 CG GLU A 38 -0.976 -0.234 14.938 1.00 0.00 C ATOM 651 CD GLU A 38 0.137 -1.229 15.206 1.00 0.00 C ATOM 652 OE1 GLU A 38 0.036 -2.377 14.725 1.00 0.00 O ATOM 653 OE2 GLU A 38 1.109 -0.858 15.897 1.00 0.00 O ATOM 0 H GLU A 38 -3.417 -1.518 11.870 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.475 -0.273 14.561 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.293 -1.364 13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.162 0.364 12.892 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.587 0.778 15.046 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.757 -0.357 15.689 1.00 0.00 H new ATOM 660 N PRO A 39 -3.748 2.089 13.652 1.00 0.00 N ATOM 661 CA PRO A 39 -4.158 3.393 13.120 1.00 0.00 C ATOM 662 C PRO A 39 -3.034 4.090 12.362 1.00 0.00 C ATOM 663 O PRO A 39 -1.870 4.025 12.759 1.00 0.00 O ATOM 664 CB PRO A 39 -4.528 4.187 14.375 1.00 0.00 C ATOM 665 CG PRO A 39 -3.722 3.569 15.465 1.00 0.00 C ATOM 666 CD PRO A 39 -3.614 2.109 15.122 1.00 0.00 C ATOM 0 HA PRO A 39 -4.972 3.302 12.400 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.291 5.245 14.258 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -5.595 4.120 14.585 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.736 4.029 15.530 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.203 3.708 16.433 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.660 1.691 15.444 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.397 1.524 15.604 1.00 0.00 H new ATOM 674 N LEU A 40 -3.389 4.754 11.268 1.00 0.00 N ATOM 675 CA LEU A 40 -2.410 5.465 10.453 1.00 0.00 C ATOM 676 C LEU A 40 -2.153 6.862 11.006 1.00 0.00 C ATOM 677 O LEU A 40 -3.075 7.539 11.461 1.00 0.00 O ATOM 678 CB LEU A 40 -2.891 5.557 9.004 1.00 0.00 C ATOM 679 CG LEU A 40 -3.229 4.218 8.345 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.887 4.440 6.992 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.975 3.367 8.200 1.00 0.00 C ATOM 0 H LEU A 40 -4.347 4.815 10.925 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.475 4.905 10.483 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.775 6.194 8.971 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.120 6.051 8.412 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.934 3.686 8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.120 3.477 6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.806 5.011 7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.207 4.992 6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.232 2.418 7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.248 3.893 7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.546 3.180 9.185 1.00 0.00 H new ATOM 693 N ASP A 41 -0.895 7.288 10.963 1.00 0.00 N ATOM 694 CA ASP A 41 -0.516 8.605 11.460 1.00 0.00 C ATOM 695 C ASP A 41 -0.900 9.695 10.461 1.00 0.00 C ATOM 696 O ASP A 41 -1.095 9.421 9.277 1.00 0.00 O ATOM 697 CB ASP A 41 0.988 8.654 11.735 1.00 0.00 C ATOM 698 CG ASP A 41 1.356 8.018 13.058 1.00 0.00 C ATOM 699 OD1 ASP A 41 1.068 6.816 13.240 1.00 0.00 O ATOM 700 OD2 ASP A 41 1.932 8.721 13.917 1.00 0.00 O ATOM 0 H ASP A 41 -0.120 6.740 10.589 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.055 8.785 12.390 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.518 8.144 10.930 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.322 9.692 11.729 1.00 0.00 H new ATOM 705 N PRO A 42 -1.011 10.950 10.927 1.00 0.00 N ATOM 706 CA PRO A 42 -1.371 12.083 10.068 1.00 0.00 C ATOM 707 C PRO A 42 -0.352 12.312 8.958 1.00 0.00 C ATOM 708 O PRO A 42 -0.683 12.835 7.895 1.00 0.00 O ATOM 709 CB PRO A 42 -1.394 13.278 11.028 1.00 0.00 C ATOM 710 CG PRO A 42 -0.589 12.848 12.205 1.00 0.00 C ATOM 711 CD PRO A 42 -0.793 11.365 12.323 1.00 0.00 C ATOM 0 HA PRO A 42 -2.320 11.917 9.558 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.967 14.166 10.562 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.414 13.530 11.319 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.465 13.087 12.066 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.915 13.360 13.110 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.075 10.871 12.760 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.648 11.124 12.954 1.00 0.00 H new ATOM 719 N GLN A 43 0.891 11.912 9.212 1.00 0.00 N ATOM 720 CA GLN A 43 1.959 12.073 8.233 1.00 0.00 C ATOM 721 C GLN A 43 1.686 11.239 6.985 1.00 0.00 C ATOM 722 O GLN A 43 2.149 11.570 5.892 1.00 0.00 O ATOM 723 CB GLN A 43 3.303 11.670 8.844 1.00 0.00 C ATOM 724 CG GLN A 43 3.680 12.479 10.075 1.00 0.00 C ATOM 725 CD GLN A 43 4.587 13.648 9.747 1.00 0.00 C ATOM 726 OE1 GLN A 43 5.765 13.468 9.437 1.00 0.00 O ATOM 727 NE2 GLN A 43 4.042 14.857 9.815 1.00 0.00 N ATOM 0 H GLN A 43 1.182 11.475 10.086 1.00 0.00 H new ATOM 0 HA GLN A 43 1.997 13.123 7.944 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.269 10.614 9.110 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.083 11.784 8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.774 12.850 10.553 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.177 11.829 10.795 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.061 14.960 10.076 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.604 15.682 9.606 1.00 0.00 H new ATOM 736 N PHE A 44 0.932 10.157 7.152 1.00 0.00 N ATOM 737 CA PHE A 44 0.599 9.276 6.038 1.00 0.00 C ATOM 738 C PHE A 44 -0.124 10.046 4.937 1.00 0.00 C ATOM 739 O PHE A 44 0.283 10.018 3.776 1.00 0.00 O ATOM 740 CB PHE A 44 -0.275 8.114 6.516 1.00 0.00 C ATOM 741 CG PHE A 44 0.481 7.034 7.245 1.00 0.00 C ATOM 742 CD1 PHE A 44 1.575 7.339 8.042 1.00 0.00 C ATOM 743 CD2 PHE A 44 0.091 5.708 7.133 1.00 0.00 C ATOM 744 CE1 PHE A 44 2.263 6.344 8.711 1.00 0.00 C ATOM 745 CE2 PHE A 44 0.775 4.709 7.801 1.00 0.00 C ATOM 746 CZ PHE A 44 1.862 5.028 8.591 1.00 0.00 C ATOM 0 H PHE A 44 0.540 9.869 8.049 1.00 0.00 H new ATOM 0 HA PHE A 44 1.530 8.878 5.634 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.052 8.505 7.173 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.777 7.673 5.655 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.893 8.366 8.141 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.758 5.452 6.516 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.114 6.596 9.327 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.460 3.681 7.705 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.398 4.250 9.114 1.00 0.00 H new ATOM 756 N GLN A 45 -1.199 10.733 5.313 1.00 0.00 N ATOM 757 CA GLN A 45 -1.980 11.514 4.362 1.00 0.00 C ATOM 758 C GLN A 45 -2.559 10.621 3.267 1.00 0.00 C ATOM 759 O GLN A 45 -1.988 10.502 2.184 1.00 0.00 O ATOM 760 CB GLN A 45 -1.118 12.611 3.737 1.00 0.00 C ATOM 761 CG GLN A 45 -0.765 13.731 4.703 1.00 0.00 C ATOM 762 CD GLN A 45 -0.270 14.976 3.995 1.00 0.00 C ATOM 763 OE1 GLN A 45 -0.553 15.187 2.815 1.00 0.00 O ATOM 764 NE2 GLN A 45 0.472 15.811 4.714 1.00 0.00 N ATOM 0 H GLN A 45 -1.548 10.764 6.271 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.805 11.976 4.904 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.198 12.167 3.357 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.645 13.033 2.881 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.642 13.981 5.300 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.002 13.381 5.394 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.682 15.596 5.689 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.832 16.667 4.291 1.00 0.00 H new ATOM 773 N ASP A 46 -3.696 9.997 3.559 1.00 0.00 N ATOM 774 CA ASP A 46 -4.352 9.118 2.599 1.00 0.00 C ATOM 775 C ASP A 46 -5.380 9.885 1.774 1.00 0.00 C ATOM 776 O ASP A 46 -6.460 10.219 2.262 1.00 0.00 O ATOM 777 CB ASP A 46 -5.027 7.952 3.325 1.00 0.00 C ATOM 778 CG ASP A 46 -6.110 8.412 4.280 1.00 0.00 C ATOM 779 OD1 ASP A 46 -5.847 9.341 5.074 1.00 0.00 O ATOM 780 OD2 ASP A 46 -7.222 7.844 4.236 1.00 0.00 O ATOM 0 H ASP A 46 -4.181 10.084 4.452 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.593 8.725 1.923 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.459 7.272 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.275 7.388 3.877 1.00 0.00 H new ATOM 785 N HIS A 47 -5.036 10.162 0.520 1.00 0.00 N ATOM 786 CA HIS A 47 -5.929 10.891 -0.373 1.00 0.00 C ATOM 787 C HIS A 47 -6.067 10.172 -1.711 1.00 0.00 C ATOM 788 O HIS A 47 -5.509 9.093 -1.906 1.00 0.00 O ATOM 789 CB HIS A 47 -5.411 12.313 -0.598 1.00 0.00 C ATOM 790 CG HIS A 47 -5.413 13.153 0.643 1.00 0.00 C ATOM 791 ND1 HIS A 47 -6.516 13.869 1.064 1.00 0.00 N ATOM 792 CD2 HIS A 47 -4.441 13.392 1.554 1.00 0.00 C ATOM 793 CE1 HIS A 47 -6.220 14.511 2.180 1.00 0.00 C ATOM 794 NE2 HIS A 47 -4.969 14.238 2.499 1.00 0.00 N ATOM 0 H HIS A 47 -4.146 9.893 0.100 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.911 10.939 0.097 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.396 12.263 -0.992 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.024 12.799 -1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.438 12.992 1.541 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -6.889 15.151 2.737 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.474 14.597 3.315 1.00 0.00 H new ATOM 803 N ALA A 48 -6.814 10.777 -2.628 1.00 0.00 N ATOM 804 CA ALA A 48 -7.024 10.192 -3.947 1.00 0.00 C ATOM 805 C ALA A 48 -6.030 10.750 -4.959 1.00 0.00 C ATOM 806 O ALA A 48 -5.773 11.953 -4.995 1.00 0.00 O ATOM 807 CB ALA A 48 -8.450 10.443 -4.413 1.00 0.00 C ATOM 0 H ALA A 48 -7.283 11.671 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.861 9.117 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.594 10.001 -5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.148 9.992 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.632 11.516 -4.466 1.00 0.00 H new ATOM 813 N LEU A 49 -5.475 9.868 -5.784 1.00 0.00 N ATOM 814 CA LEU A 49 -4.510 10.273 -6.799 1.00 0.00 C ATOM 815 C LEU A 49 -5.189 11.073 -7.904 1.00 0.00 C ATOM 816 O LEU A 49 -6.342 11.484 -7.769 1.00 0.00 O ATOM 817 CB LEU A 49 -3.819 9.044 -7.394 1.00 0.00 C ATOM 818 CG LEU A 49 -3.388 7.985 -6.377 1.00 0.00 C ATOM 819 CD1 LEU A 49 -4.423 6.873 -6.291 1.00 0.00 C ATOM 820 CD2 LEU A 49 -2.023 7.418 -6.743 1.00 0.00 C ATOM 0 H LEU A 49 -5.677 8.868 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.762 10.907 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.493 8.580 -8.114 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.939 9.373 -7.947 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.313 8.459 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.099 6.130 -5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.381 7.291 -5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.532 6.401 -7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.732 6.666 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.072 6.960 -7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.286 8.221 -6.751 1.00 0.00 H new ATOM 832 N LYS A 50 -4.467 11.292 -8.999 1.00 0.00 N ATOM 833 CA LYS A 50 -5.002 12.045 -10.128 1.00 0.00 C ATOM 834 C LYS A 50 -4.624 11.382 -11.449 1.00 0.00 C ATOM 835 O LYS A 50 -3.583 10.733 -11.554 1.00 0.00 O ATOM 836 CB LYS A 50 -4.486 13.485 -10.103 1.00 0.00 C ATOM 837 CG LYS A 50 -4.490 14.111 -8.718 1.00 0.00 C ATOM 838 CD LYS A 50 -5.885 14.566 -8.316 1.00 0.00 C ATOM 839 CE LYS A 50 -5.848 15.448 -7.078 1.00 0.00 C ATOM 840 NZ LYS A 50 -6.930 16.471 -7.093 1.00 0.00 N ATOM 0 H LYS A 50 -3.512 10.959 -9.128 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.089 12.056 -10.042 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.470 13.505 -10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.099 14.093 -10.769 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.118 13.390 -7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.809 14.962 -8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.342 15.113 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.512 13.695 -8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.947 14.828 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.880 15.944 -7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.871 17.052 -6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.821 17.079 -7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.855 15.997 -7.128 1.00 0.00 H new ATOM 854 N GLY A 51 -5.478 11.550 -12.452 1.00 0.00 N ATOM 855 CA GLY A 51 -5.216 10.961 -13.753 1.00 0.00 C ATOM 856 C GLY A 51 -5.114 9.458 -13.700 1.00 0.00 C ATOM 857 O GLY A 51 -4.157 8.913 -13.150 1.00 0.00 O ATOM 0 H GLY A 51 -6.346 12.082 -12.389 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.012 11.243 -14.442 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.288 11.370 -14.153 1.00 0.00 H new ATOM 861 N LYS A 52 -6.098 8.785 -14.273 1.00 0.00 N ATOM 862 CA LYS A 52 -6.122 7.325 -14.292 1.00 0.00 C ATOM 863 C LYS A 52 -6.385 6.765 -12.896 1.00 0.00 C ATOM 864 O LYS A 52 -7.203 5.862 -12.725 1.00 0.00 O ATOM 865 CB LYS A 52 -4.802 6.773 -14.839 1.00 0.00 C ATOM 866 CG LYS A 52 -4.932 5.395 -15.469 1.00 0.00 C ATOM 867 CD LYS A 52 -4.926 5.471 -16.986 1.00 0.00 C ATOM 868 CE LYS A 52 -5.529 4.224 -17.610 1.00 0.00 C ATOM 869 NZ LYS A 52 -4.489 3.218 -17.957 1.00 0.00 N ATOM 0 H LYS A 52 -6.895 9.225 -14.734 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.934 7.011 -14.948 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.408 7.467 -15.581 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.074 6.726 -14.029 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.111 4.762 -15.133 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.856 4.926 -15.131 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.487 6.348 -17.309 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.903 5.598 -17.341 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.245 3.782 -16.917 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.082 4.499 -18.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.942 2.383 -18.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.820 3.631 -18.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.978 2.936 -17.096 1.00 0.00 H new ATOM 883 N TRP A 53 -5.688 7.307 -11.899 1.00 0.00 N ATOM 884 CA TRP A 53 -5.853 6.857 -10.520 1.00 0.00 C ATOM 885 C TRP A 53 -6.779 7.794 -9.751 1.00 0.00 C ATOM 886 O TRP A 53 -6.609 8.008 -8.551 1.00 0.00 O ATOM 887 CB TRP A 53 -4.492 6.782 -9.823 1.00 0.00 C ATOM 888 CG TRP A 53 -3.610 5.694 -10.358 1.00 0.00 C ATOM 889 CD1 TRP A 53 -2.745 5.782 -11.410 1.00 0.00 C ATOM 890 CD2 TRP A 53 -3.504 4.355 -9.862 1.00 0.00 C ATOM 891 NE1 TRP A 53 -2.110 4.581 -11.601 1.00 0.00 N ATOM 892 CE2 TRP A 53 -2.558 3.688 -10.663 1.00 0.00 C ATOM 893 CE3 TRP A 53 -4.117 3.654 -8.820 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -2.211 2.356 -10.453 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -3.772 2.332 -8.612 1.00 0.00 C ATOM 896 CH2 TRP A 53 -2.827 1.695 -9.425 1.00 0.00 C ATOM 0 H TRP A 53 -5.006 8.056 -12.020 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.302 5.864 -10.537 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.983 7.739 -9.932 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.647 6.623 -8.756 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.584 6.668 -12.006 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.417 4.385 -12.323 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.848 4.137 -8.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.482 1.862 -11.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.239 1.781 -7.809 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.579 0.661 -9.237 1.00 0.00 H new ATOM 907 N LYS A 54 -7.758 8.353 -10.454 1.00 0.00 N ATOM 908 CA LYS A 54 -8.715 9.272 -9.846 1.00 0.00 C ATOM 909 C LYS A 54 -9.662 8.549 -8.889 1.00 0.00 C ATOM 910 O LYS A 54 -9.860 8.988 -7.756 1.00 0.00 O ATOM 911 CB LYS A 54 -9.518 9.993 -10.934 1.00 0.00 C ATOM 912 CG LYS A 54 -9.404 11.506 -10.870 1.00 0.00 C ATOM 913 CD LYS A 54 -9.397 12.123 -12.260 1.00 0.00 C ATOM 914 CE LYS A 54 -9.143 13.620 -12.203 1.00 0.00 C ATOM 915 NZ LYS A 54 -10.210 14.337 -11.450 1.00 0.00 N ATOM 0 H LYS A 54 -7.910 8.185 -11.449 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.151 10.003 -9.267 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.177 9.652 -11.912 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.567 9.712 -10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.237 11.911 -10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.490 11.781 -10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.628 11.645 -12.867 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.353 11.933 -12.748 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.178 13.807 -11.732 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.085 14.017 -13.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.065 15.363 -11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.140 14.086 -11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.171 14.063 -10.447 1.00 0.00 H new ATOM 929 N PRO A 55 -10.273 7.432 -9.328 1.00 0.00 N ATOM 930 CA PRO A 55 -11.208 6.669 -8.496 1.00 0.00 C ATOM 931 C PRO A 55 -10.511 5.801 -7.448 1.00 0.00 C ATOM 932 O PRO A 55 -11.163 5.025 -6.747 1.00 0.00 O ATOM 933 CB PRO A 55 -11.940 5.794 -9.512 1.00 0.00 C ATOM 934 CG PRO A 55 -10.955 5.583 -10.609 1.00 0.00 C ATOM 935 CD PRO A 55 -10.113 6.832 -10.670 1.00 0.00 C ATOM 0 HA PRO A 55 -11.858 7.325 -7.917 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.249 4.847 -9.069 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.842 6.283 -9.879 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.337 4.707 -10.413 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.462 5.409 -11.558 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.069 6.601 -10.883 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.456 7.508 -11.454 1.00 0.00 H new ATOM 943 N PHE A 56 -9.193 5.932 -7.339 1.00 0.00 N ATOM 944 CA PHE A 56 -8.427 5.155 -6.370 1.00 0.00 C ATOM 945 C PHE A 56 -7.901 6.046 -5.250 1.00 0.00 C ATOM 946 O PHE A 56 -8.035 7.269 -5.301 1.00 0.00 O ATOM 947 CB PHE A 56 -7.268 4.440 -7.062 1.00 0.00 C ATOM 948 CG PHE A 56 -7.706 3.512 -8.157 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.956 3.992 -9.434 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.868 2.158 -7.910 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.359 3.138 -10.443 1.00 0.00 C ATOM 952 CE2 PHE A 56 -8.272 1.300 -8.916 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.518 1.791 -10.184 1.00 0.00 C ATOM 0 H PHE A 56 -8.634 6.567 -7.908 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.091 4.411 -5.931 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.588 5.184 -7.477 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.706 3.874 -6.320 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.834 5.045 -9.642 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.677 1.769 -6.921 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.549 3.524 -11.434 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.395 0.247 -8.711 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.834 1.122 -10.971 1.00 0.00 H new ATOM 963 N ARG A 57 -7.304 5.424 -4.237 1.00 0.00 N ATOM 964 CA ARG A 57 -6.760 6.163 -3.101 1.00 0.00 C ATOM 965 C ARG A 57 -5.316 5.753 -2.824 1.00 0.00 C ATOM 966 O ARG A 57 -4.949 4.588 -2.984 1.00 0.00 O ATOM 967 CB ARG A 57 -7.617 5.929 -1.856 1.00 0.00 C ATOM 968 CG ARG A 57 -7.167 6.736 -0.647 1.00 0.00 C ATOM 969 CD ARG A 57 -8.143 7.857 -0.323 1.00 0.00 C ATOM 970 NE ARG A 57 -9.466 7.347 0.034 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.503 7.302 -0.801 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.381 7.723 -2.056 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.669 6.831 -0.382 1.00 0.00 N ATOM 0 H ARG A 57 -7.185 4.413 -4.179 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.775 7.224 -3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.653 6.180 -2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.595 4.869 -1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.071 6.076 0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.180 7.157 -0.838 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.750 8.453 0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.231 8.521 -1.183 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.604 7.003 0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.487 8.085 -2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.181 7.684 -2.687 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.771 6.504 0.579 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.464 6.796 -1.020 1.00 0.00 H new ATOM 987 N GLU A 58 -4.504 6.718 -2.405 1.00 0.00 N ATOM 988 CA GLU A 58 -3.100 6.461 -2.102 1.00 0.00 C ATOM 989 C GLU A 58 -2.858 6.470 -0.595 1.00 0.00 C ATOM 990 O GLU A 58 -3.781 6.688 0.191 1.00 0.00 O ATOM 991 CB GLU A 58 -2.214 7.508 -2.779 1.00 0.00 C ATOM 992 CG GLU A 58 -0.990 6.920 -3.465 1.00 0.00 C ATOM 993 CD GLU A 58 -0.240 7.945 -4.293 1.00 0.00 C ATOM 994 OE1 GLU A 58 -0.846 8.976 -4.656 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.955 7.719 -4.577 1.00 0.00 O ATOM 0 H GLU A 58 -4.794 7.686 -2.267 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.844 5.473 -2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.806 8.052 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.889 8.233 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.320 6.505 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.299 6.095 -4.107 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.612 6.233 -0.200 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.246 6.216 1.212 1.00 0.00 C ATOM 1004 C CYS A 59 0.268 6.144 1.379 1.00 0.00 C ATOM 1005 O CYS A 59 0.910 5.207 0.905 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.906 5.029 1.917 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.307 5.335 3.654 1.00 0.00 S ATOM 0 H CYS A 59 -0.838 6.050 -0.838 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.600 7.142 1.666 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.820 4.766 1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.241 4.167 1.855 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.863 4.276 4.164 1.00 0.00 H new ATOM 1013 N HIS A 60 0.834 7.140 2.053 1.00 0.00 N ATOM 1014 CA HIS A 60 2.274 7.189 2.278 1.00 0.00 C ATOM 1015 C HIS A 60 2.626 6.685 3.674 1.00 0.00 C ATOM 1016 O HIS A 60 2.887 7.474 4.581 1.00 0.00 O ATOM 1017 CB HIS A 60 2.792 8.616 2.092 1.00 0.00 C ATOM 1018 CG HIS A 60 2.340 9.256 0.817 1.00 0.00 C ATOM 1019 ND1 HIS A 60 2.636 10.561 0.482 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.605 8.765 -0.211 1.00 0.00 C ATOM 1021 CE1 HIS A 60 2.104 10.845 -0.694 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.474 9.772 -1.135 1.00 0.00 N ATOM 0 H HIS A 60 0.318 7.924 2.453 1.00 0.00 H new ATOM 0 HA HIS A 60 2.752 6.538 1.546 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.461 9.226 2.932 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.882 8.604 2.116 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.198 7.768 -0.289 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.173 11.793 -1.207 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.971 9.702 -2.020 1.00 0.00 H new ATOM 1031 N ILE A 61 2.637 5.366 3.838 1.00 0.00 N ATOM 1032 CA ILE A 61 2.961 4.759 5.123 1.00 0.00 C ATOM 1033 C ILE A 61 4.362 5.156 5.581 1.00 0.00 C ATOM 1034 O ILE A 61 4.637 5.226 6.778 1.00 0.00 O ATOM 1035 CB ILE A 61 2.864 3.220 5.058 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.467 2.794 4.594 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.187 2.606 6.414 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.447 2.197 3.205 1.00 0.00 C ATOM 0 H ILE A 61 2.425 4.698 3.097 1.00 0.00 H new ATOM 0 HA ILE A 61 2.231 5.129 5.843 1.00 0.00 H new ATOM 0 HB ILE A 61 3.595 2.857 4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.065 2.066 5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.805 3.660 4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.113 1.520 6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.199 2.884 6.708 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.480 2.973 7.158 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.426 1.919 2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.818 2.930 2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.082 1.311 3.180 1.00 0.00 H new ATOM 1050 N LYS A 62 5.242 5.416 4.620 1.00 0.00 N ATOM 1051 CA LYS A 62 6.614 5.807 4.924 1.00 0.00 C ATOM 1052 C LYS A 62 7.054 6.974 4.044 1.00 0.00 C ATOM 1053 O LYS A 62 6.371 7.325 3.080 1.00 0.00 O ATOM 1054 CB LYS A 62 7.558 4.619 4.729 1.00 0.00 C ATOM 1055 CG LYS A 62 7.102 3.356 5.443 1.00 0.00 C ATOM 1056 CD LYS A 62 8.267 2.420 5.715 1.00 0.00 C ATOM 1057 CE LYS A 62 8.867 2.665 7.090 1.00 0.00 C ATOM 1058 NZ LYS A 62 10.210 2.033 7.230 1.00 0.00 N ATOM 0 H LYS A 62 5.030 5.363 3.624 1.00 0.00 H new ATOM 0 HA LYS A 62 6.654 6.127 5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.651 4.410 3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.550 4.891 5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.620 3.622 6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.355 2.843 4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.929 1.386 5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.033 2.559 4.952 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.950 3.738 7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.198 2.269 7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.556 2.165 8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.139 1.016 7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.874 2.477 6.563 1.00 0.00 H new ATOM 1072 N PRO A 63 8.204 7.596 4.362 1.00 0.00 N ATOM 1073 CA PRO A 63 8.733 8.729 3.598 1.00 0.00 C ATOM 1074 C PRO A 63 9.238 8.329 2.213 1.00 0.00 C ATOM 1075 O PRO A 63 9.691 9.172 1.440 1.00 0.00 O ATOM 1076 CB PRO A 63 9.894 9.251 4.458 1.00 0.00 C ATOM 1077 CG PRO A 63 9.768 8.554 5.774 1.00 0.00 C ATOM 1078 CD PRO A 63 9.075 7.253 5.492 1.00 0.00 C ATOM 0 HA PRO A 63 7.958 9.472 3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.855 9.035 3.991 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.835 10.332 4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.748 8.385 6.221 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.195 9.155 6.480 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.782 6.464 5.235 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.505 6.902 6.352 1.00 0.00 H new ATOM 1086 N ASP A 64 9.153 7.040 1.905 1.00 0.00 N ATOM 1087 CA ASP A 64 9.598 6.530 0.614 1.00 0.00 C ATOM 1088 C ASP A 64 8.677 5.415 0.128 1.00 0.00 C ATOM 1089 O ASP A 64 9.092 4.541 -0.633 1.00 0.00 O ATOM 1090 CB ASP A 64 11.034 6.015 0.712 1.00 0.00 C ATOM 1091 CG ASP A 64 11.191 4.934 1.764 1.00 0.00 C ATOM 1092 OD1 ASP A 64 10.523 5.029 2.815 1.00 0.00 O ATOM 1093 OD2 ASP A 64 11.981 3.994 1.536 1.00 0.00 O ATOM 0 H ASP A 64 8.779 6.328 2.533 1.00 0.00 H new ATOM 0 HA ASP A 64 9.563 7.348 -0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.343 5.623 -0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.700 6.846 0.947 1.00 0.00 H new ATOM 1098 N VAL A 65 7.424 5.452 0.574 1.00 0.00 N ATOM 1099 CA VAL A 65 6.444 4.445 0.185 1.00 0.00 C ATOM 1100 C VAL A 65 5.099 5.084 -0.137 1.00 0.00 C ATOM 1101 O VAL A 65 4.747 6.128 0.412 1.00 0.00 O ATOM 1102 CB VAL A 65 6.246 3.392 1.293 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.299 2.295 0.828 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.581 2.807 1.716 1.00 0.00 C ATOM 0 H VAL A 65 7.065 6.169 1.205 1.00 0.00 H new ATOM 0 HA VAL A 65 6.834 3.954 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 65 5.799 3.882 2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.173 1.562 1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.331 2.731 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.714 1.806 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.422 2.066 2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.058 2.333 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.223 3.602 2.095 1.00 0.00 H new ATOM 1114 N LEU A 66 4.349 4.446 -1.027 1.00 0.00 N ATOM 1115 CA LEU A 66 3.037 4.945 -1.424 1.00 0.00 C ATOM 1116 C LEU A 66 2.103 3.789 -1.762 1.00 0.00 C ATOM 1117 O LEU A 66 2.006 3.371 -2.917 1.00 0.00 O ATOM 1118 CB LEU A 66 3.159 5.887 -2.626 1.00 0.00 C ATOM 1119 CG LEU A 66 4.477 6.660 -2.721 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.692 7.173 -4.138 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.493 7.813 -1.728 1.00 0.00 C ATOM 0 H LEU A 66 4.627 3.580 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 66 2.618 5.500 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.033 5.304 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.338 6.604 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 66 5.293 5.981 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.633 7.720 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.725 6.331 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.872 7.836 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.438 8.351 -1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.669 8.492 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.384 7.423 -0.716 1.00 0.00 H new ATOM 1133 N LEU A 67 1.424 3.271 -0.745 1.00 0.00 N ATOM 1134 CA LEU A 67 0.502 2.156 -0.926 1.00 0.00 C ATOM 1135 C LEU A 67 -0.862 2.643 -1.405 1.00 0.00 C ATOM 1136 O LEU A 67 -1.413 3.608 -0.873 1.00 0.00 O ATOM 1137 CB LEU A 67 0.353 1.383 0.387 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.738 0.305 0.405 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -0.732 -0.498 -0.890 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.553 -0.613 1.604 1.00 0.00 C ATOM 0 H LEU A 67 1.495 3.606 0.216 1.00 0.00 H new ATOM 0 HA LEU A 67 0.912 1.494 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.308 0.911 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.147 2.096 1.185 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.706 0.799 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.515 -1.256 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.913 0.169 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.237 -0.983 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.334 -1.373 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.423 -1.095 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.615 -0.029 2.522 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.404 1.962 -2.409 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.706 2.314 -2.961 1.00 0.00 C ATOM 1154 C VAL A 68 -3.725 1.216 -2.678 1.00 0.00 C ATOM 1155 O VAL A 68 -3.410 0.030 -2.755 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.626 2.554 -4.480 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.961 3.047 -5.021 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.516 3.539 -4.803 1.00 0.00 C ATOM 0 H VAL A 68 -0.960 1.161 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.023 3.238 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.396 1.606 -4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.880 3.210 -6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.731 2.301 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.229 3.983 -4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.473 3.698 -5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.715 4.488 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.563 3.140 -4.456 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.948 1.619 -2.349 1.00 0.00 N ATOM 1169 CA TYR A 69 -6.010 0.663 -2.054 1.00 0.00 C ATOM 1170 C TYR A 69 -7.385 1.277 -2.297 1.00 0.00 C ATOM 1171 O TYR A 69 -7.524 2.497 -2.386 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.901 0.184 -0.605 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.012 1.297 0.412 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.251 1.708 0.887 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.878 1.938 0.895 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.357 2.726 1.815 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -4.976 2.956 1.825 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.217 3.346 2.282 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.318 4.359 3.207 1.00 0.00 O ATOM 0 H TYR A 69 -5.228 2.597 -2.280 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.893 -0.189 -2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.684 -0.550 -0.414 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.947 -0.325 -0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.146 1.224 0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.904 1.636 0.538 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.328 3.035 2.173 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.085 3.443 2.192 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.422 4.687 3.432 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.396 0.422 -2.406 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.762 0.878 -2.641 1.00 0.00 C ATOM 1191 C LEU A 70 -10.643 0.604 -1.424 1.00 0.00 C ATOM 1192 O LEU A 70 -10.213 -0.046 -0.471 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.347 0.186 -3.875 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.152 1.095 -4.805 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.225 2.007 -5.594 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -12.014 0.266 -5.745 1.00 0.00 C ATOM 0 H LEU A 70 -8.296 -0.591 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.736 1.954 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.531 -0.260 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.989 -0.631 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.808 1.717 -4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.816 2.646 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.651 2.626 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.544 1.403 -6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.580 0.929 -6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.377 -0.381 -6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.704 -0.345 -5.163 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.874 1.104 -1.465 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.810 0.913 -0.364 1.00 0.00 C ATOM 1210 C VAL A 71 -14.135 0.338 -0.859 1.00 0.00 C ATOM 1211 O VAL A 71 -14.967 1.057 -1.415 1.00 0.00 O ATOM 1212 CB VAL A 71 -13.084 2.235 0.378 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.899 1.984 1.637 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.777 2.938 0.711 1.00 0.00 C ATOM 0 H VAL A 71 -12.245 1.643 -2.247 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.345 0.207 0.325 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.665 2.885 -0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.082 2.930 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.851 1.526 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.349 1.315 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.988 3.870 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.169 2.294 1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.235 3.154 -0.210 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.325 -0.959 -0.651 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.549 -1.633 -1.073 1.00 0.00 C ATOM 1226 C LYS A 72 -16.706 -1.291 -0.138 1.00 0.00 C ATOM 1227 O LYS A 72 -16.495 -0.781 0.962 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.334 -3.149 -1.112 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.575 -3.764 -2.481 1.00 0.00 C ATOM 1230 CD LYS A 72 -15.944 -5.235 -2.377 1.00 0.00 C ATOM 1231 CE LYS A 72 -14.886 -6.123 -3.014 1.00 0.00 C ATOM 1232 NZ LYS A 72 -14.731 -5.844 -4.468 1.00 0.00 N ATOM 0 H LYS A 72 -13.647 -1.567 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.802 -1.285 -2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.314 -3.371 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.000 -3.620 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.374 -3.223 -2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.679 -3.655 -3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.065 -5.507 -1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.904 -5.405 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.931 -5.969 -2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.156 -7.169 -2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.388 -6.699 -4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.650 -5.566 -4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.047 -5.072 -4.602 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.927 -1.577 -0.585 1.00 0.00 N ATOM 1247 CA ASP A 73 -19.127 -1.301 0.206 1.00 0.00 C ATOM 1248 C ASP A 73 -18.940 -1.700 1.668 1.00 0.00 C ATOM 1249 O ASP A 73 -19.317 -0.959 2.577 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.330 -2.038 -0.384 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.873 -1.361 -1.628 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -20.063 -0.982 -2.499 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -22.109 -1.208 -1.728 1.00 0.00 O ATOM 0 H ASP A 73 -18.113 -2.001 -1.494 1.00 0.00 H new ATOM 0 HA ASP A 73 -19.307 -0.226 0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.042 -3.061 -0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -21.118 -2.099 0.366 1.00 0.00 H new ATOM 1258 N ASP A 74 -18.356 -2.872 1.887 1.00 0.00 N ATOM 1259 CA ASP A 74 -18.119 -3.366 3.239 1.00 0.00 C ATOM 1260 C ASP A 74 -16.816 -4.154 3.312 1.00 0.00 C ATOM 1261 O ASP A 74 -16.656 -5.030 4.161 1.00 0.00 O ATOM 1262 CB ASP A 74 -19.284 -4.245 3.694 1.00 0.00 C ATOM 1263 CG ASP A 74 -20.473 -3.430 4.168 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -20.366 -2.788 5.234 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -21.511 -3.435 3.473 1.00 0.00 O ATOM 0 H ASP A 74 -18.038 -3.498 1.147 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.039 -2.505 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.593 -4.889 2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.950 -4.898 4.500 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.886 -3.837 2.416 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.596 -4.519 2.380 1.00 0.00 C ATOM 1272 C GLU A 75 -13.508 -3.592 1.848 1.00 0.00 C ATOM 1273 O GLU A 75 -13.799 -2.529 1.301 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.681 -5.770 1.501 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.559 -6.868 2.082 1.00 0.00 C ATOM 1276 CD GLU A 75 -15.879 -7.955 1.073 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -15.296 -7.930 -0.033 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -16.712 -8.830 1.387 1.00 0.00 O ATOM 0 H GLU A 75 -16.001 -3.114 1.706 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.340 -4.812 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.067 -5.489 0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.676 -6.164 1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.058 -7.312 2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.489 -6.430 2.446 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.255 -4.003 2.009 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.125 -3.209 1.540 1.00 0.00 C ATOM 1287 C LEU A 76 -10.221 -4.039 0.634 1.00 0.00 C ATOM 1288 O LEU A 76 -9.903 -5.188 0.943 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.324 -2.665 2.724 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.199 -1.696 2.353 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -9.084 -0.588 3.388 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.880 -2.440 2.216 1.00 0.00 C ATOM 0 H LEU A 76 -11.996 -4.880 2.460 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.516 -2.370 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.009 -2.160 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.894 -3.505 3.269 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.439 -1.242 1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.279 0.091 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.023 -0.037 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.868 -1.023 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.091 -1.736 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.634 -2.922 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.968 -3.196 1.436 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.816 -3.454 -0.487 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.954 -4.142 -1.439 1.00 0.00 C ATOM 1306 C ILE A 77 -7.701 -3.330 -1.744 1.00 0.00 C ATOM 1307 O ILE A 77 -7.776 -2.132 -2.017 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.699 -4.435 -2.759 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.061 -3.130 -3.473 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -10.950 -5.260 -2.490 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.049 -2.713 -4.518 1.00 0.00 C ATOM 0 H ILE A 77 -10.071 -2.504 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.663 -5.084 -0.975 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.038 -5.009 -3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.036 -3.243 -3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.157 -2.335 -2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.464 -5.458 -3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.670 -6.204 -2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.613 -4.709 -1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.369 -1.781 -4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.077 -2.568 -4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.970 -3.490 -5.279 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.548 -3.990 -1.700 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.279 -3.329 -1.978 1.00 0.00 C ATOM 1325 C LEU A 78 -5.088 -3.144 -3.479 1.00 0.00 C ATOM 1326 O LEU A 78 -5.409 -4.033 -4.268 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.118 -4.139 -1.398 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.117 -4.271 0.126 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.940 -5.117 0.587 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.077 -2.899 0.778 1.00 0.00 C ATOM 0 H LEU A 78 -6.467 -4.981 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.294 -2.347 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.139 -5.138 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.181 -3.675 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.037 -4.769 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.955 -5.200 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.012 -6.111 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.008 -4.647 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.077 -3.011 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.173 -2.375 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.952 -2.325 0.473 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.569 -1.986 -3.869 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.341 -1.687 -5.277 1.00 0.00 C ATOM 1344 C LEU A 79 -2.914 -2.039 -5.687 1.00 0.00 C ATOM 1345 O LEU A 79 -2.698 -2.923 -6.515 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.624 -0.210 -5.558 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.725 0.051 -6.588 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.369 -0.586 -7.922 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.061 -0.474 -6.082 1.00 0.00 C ATOM 0 H LEU A 79 -4.298 -1.239 -3.230 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.024 -2.296 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.899 0.276 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.704 0.262 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.812 1.127 -6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.163 -0.390 -8.642 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.434 -0.163 -8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.254 -1.662 -7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.833 -0.280 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.987 -1.547 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.320 0.029 -5.151 1.00 0.00 H new ATOM 1361 N ARG A 80 -1.944 -1.340 -5.106 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.541 -1.585 -5.418 1.00 0.00 C ATOM 1363 C ARG A 80 0.376 -0.864 -4.437 1.00 0.00 C ATOM 1364 O ARG A 80 -0.075 -0.058 -3.623 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.230 -1.137 -6.847 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.492 0.338 -7.092 1.00 0.00 C ATOM 1367 CD ARG A 80 0.756 1.174 -6.854 1.00 0.00 C ATOM 1368 NE ARG A 80 0.620 2.527 -7.388 1.00 0.00 N ATOM 1369 CZ ARG A 80 0.694 2.825 -8.683 1.00 0.00 C ATOM 1370 NH1 ARG A 80 0.900 1.868 -9.580 1.00 0.00 N ATOM 1371 NH2 ARG A 80 0.561 4.082 -9.082 1.00 0.00 N ATOM 0 H ARG A 80 -2.103 -0.603 -4.420 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.361 -2.656 -5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.815 -1.353 -7.067 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.830 -1.724 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.838 0.482 -8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.291 0.681 -6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.959 1.225 -5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.613 0.686 -7.318 1.00 0.00 H new ATOM 0 HE ARG A 80 0.459 3.289 -6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.002 0.899 -9.278 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.956 2.102 -10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.402 4.821 -8.397 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.618 4.311 -10.074 1.00 0.00 H new ATOM 1385 N LEU A 81 1.670 -1.161 -4.523 1.00 0.00 N ATOM 1386 CA LEU A 81 2.660 -0.546 -3.646 1.00 0.00 C ATOM 1387 C LEU A 81 3.810 0.041 -4.459 1.00 0.00 C ATOM 1388 O LEU A 81 4.479 -0.670 -5.207 1.00 0.00 O ATOM 1389 CB LEU A 81 3.198 -1.577 -2.649 1.00 0.00 C ATOM 1390 CG LEU A 81 3.986 -0.996 -1.473 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.333 -0.467 -1.940 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.189 0.101 -0.784 1.00 0.00 C ATOM 0 H LEU A 81 2.057 -1.825 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 81 2.175 0.261 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.359 -2.151 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.839 -2.277 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 81 4.163 -1.794 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.878 -0.058 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.909 -1.279 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.179 0.316 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.766 0.501 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.978 0.899 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.251 -0.310 -0.411 1.00 0.00 H new ATOM 1404 N GLY A 82 4.033 1.342 -4.306 1.00 0.00 N ATOM 1405 CA GLY A 82 5.103 2.000 -5.034 1.00 0.00 C ATOM 1406 C GLY A 82 5.880 2.973 -4.172 1.00 0.00 C ATOM 1407 O GLY A 82 5.763 2.958 -2.946 1.00 0.00 O ATOM 0 H GLY A 82 3.493 1.952 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.784 1.247 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.683 2.532 -5.888 1.00 0.00 H new ATOM 1411 N SER A 83 6.677 3.822 -4.813 1.00 0.00 N ATOM 1412 CA SER A 83 7.479 4.807 -4.095 1.00 0.00 C ATOM 1413 C SER A 83 7.744 6.030 -4.967 1.00 0.00 C ATOM 1414 O SER A 83 7.178 6.168 -6.051 1.00 0.00 O ATOM 1415 CB SER A 83 8.805 4.188 -3.648 1.00 0.00 C ATOM 1416 OG SER A 83 8.615 2.869 -3.167 1.00 0.00 O ATOM 0 H SER A 83 6.785 3.848 -5.827 1.00 0.00 H new ATOM 0 HA SER A 83 6.919 5.124 -3.215 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.505 4.176 -4.484 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.252 4.803 -2.867 1.00 0.00 H new ATOM 0 HG SER A 83 8.689 2.863 -2.190 1.00 0.00 H new ATOM 1422 N HIS A 84 8.608 6.917 -4.485 1.00 0.00 N ATOM 1423 CA HIS A 84 8.949 8.129 -5.221 1.00 0.00 C ATOM 1424 C HIS A 84 9.847 7.812 -6.412 1.00 0.00 C ATOM 1425 O HIS A 84 9.832 8.520 -7.420 1.00 0.00 O ATOM 1426 CB HIS A 84 9.644 9.132 -4.297 1.00 0.00 C ATOM 1427 CG HIS A 84 9.493 10.556 -4.739 1.00 0.00 C ATOM 1428 ND1 HIS A 84 10.486 11.245 -5.405 1.00 0.00 N ATOM 1429 CD2 HIS A 84 8.460 11.420 -4.607 1.00 0.00 C ATOM 1430 CE1 HIS A 84 10.068 12.473 -5.662 1.00 0.00 C ATOM 1431 NE2 HIS A 84 8.843 12.602 -5.190 1.00 0.00 N ATOM 0 H HIS A 84 9.085 6.820 -3.589 1.00 0.00 H new ATOM 0 HA HIS A 84 8.024 8.568 -5.595 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.239 9.027 -3.290 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.705 8.888 -4.241 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.512 11.217 -4.132 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.633 13.239 -6.171 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.272 13.445 -5.249 1.00 0.00 H new ATOM 1440 N SER A 85 10.627 6.743 -6.293 1.00 0.00 N ATOM 1441 CA SER A 85 11.530 6.331 -7.361 1.00 0.00 C ATOM 1442 C SER A 85 10.838 5.373 -8.328 1.00 0.00 C ATOM 1443 O SER A 85 11.245 5.242 -9.481 1.00 0.00 O ATOM 1444 CB SER A 85 12.778 5.670 -6.775 1.00 0.00 C ATOM 1445 OG SER A 85 13.922 5.946 -7.566 1.00 0.00 O ATOM 0 H SER A 85 10.652 6.146 -5.467 1.00 0.00 H new ATOM 0 HA SER A 85 11.824 7.223 -7.915 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.940 6.029 -5.759 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.627 4.592 -6.712 1.00 0.00 H new ATOM 0 HG SER A 85 14.706 5.513 -7.169 1.00 0.00 H new ATOM 1451 N GLU A 86 9.792 4.704 -7.849 1.00 0.00 N ATOM 1452 CA GLU A 86 9.051 3.759 -8.676 1.00 0.00 C ATOM 1453 C GLU A 86 7.911 4.454 -9.411 1.00 0.00 C ATOM 1454 O GLU A 86 7.941 4.596 -10.632 1.00 0.00 O ATOM 1455 CB GLU A 86 8.500 2.621 -7.814 1.00 0.00 C ATOM 1456 CG GLU A 86 9.480 1.477 -7.618 1.00 0.00 C ATOM 1457 CD GLU A 86 9.411 0.452 -8.734 1.00 0.00 C ATOM 1458 OE1 GLU A 86 9.479 0.855 -9.915 1.00 0.00 O ATOM 1459 OE2 GLU A 86 9.288 -0.753 -8.429 1.00 0.00 O ATOM 0 H GLU A 86 9.441 4.799 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 86 9.736 3.347 -9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.219 3.019 -6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.591 2.235 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.492 1.877 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.275 0.987 -6.666 1.00 0.00 H new ATOM 1466 N LEU A 87 6.903 4.884 -8.658 1.00 0.00 N ATOM 1467 CA LEU A 87 5.751 5.563 -9.238 1.00 0.00 C ATOM 1468 C LEU A 87 6.179 6.825 -9.981 1.00 0.00 C ATOM 1469 O LEU A 87 5.694 7.106 -11.077 1.00 0.00 O ATOM 1470 CB LEU A 87 4.740 5.920 -8.147 1.00 0.00 C ATOM 1471 CG LEU A 87 4.228 4.735 -7.326 1.00 0.00 C ATOM 1472 CD1 LEU A 87 3.176 5.193 -6.326 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.664 3.658 -8.240 1.00 0.00 C ATOM 0 H LEU A 87 6.861 4.774 -7.645 1.00 0.00 H new ATOM 0 HA LEU A 87 5.283 4.884 -9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.198 6.641 -7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.888 6.416 -8.611 1.00 0.00 H new ATOM 0 HG LEU A 87 5.066 4.312 -6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.823 4.337 -5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.612 5.929 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.338 5.642 -6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.304 2.823 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.838 4.069 -8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.445 3.309 -8.916 1.00 0.00 H new ATOM 1485 N PHE A 88 7.088 7.582 -9.377 1.00 0.00 N ATOM 1486 CA PHE A 88 7.580 8.814 -9.981 1.00 0.00 C ATOM 1487 C PHE A 88 9.015 8.644 -10.474 1.00 0.00 C ATOM 1488 O PHE A 88 9.535 7.511 -10.399 1.00 0.00 O ATOM 1489 CB PHE A 88 7.508 9.962 -8.974 1.00 0.00 C ATOM 1490 CG PHE A 88 6.105 10.317 -8.570 1.00 0.00 C ATOM 1491 CD1 PHE A 88 5.450 9.593 -7.585 1.00 0.00 C ATOM 1492 CD2 PHE A 88 5.442 11.373 -9.172 1.00 0.00 C ATOM 1493 CE1 PHE A 88 4.159 9.918 -7.211 1.00 0.00 C ATOM 1494 CE2 PHE A 88 4.151 11.702 -8.802 1.00 0.00 C ATOM 1495 CZ PHE A 88 3.510 10.973 -7.819 1.00 0.00 C ATOM 1496 OXT PHE A 88 9.604 9.646 -10.931 1.00 0.00 O ATOM 0 H PHE A 88 7.499 7.364 -8.469 1.00 0.00 H new ATOM 0 HA PHE A 88 6.947 9.049 -10.837 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.076 9.691 -8.084 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.988 10.842 -9.403 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.953 8.767 -7.105 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.939 11.947 -9.940 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.659 9.346 -6.443 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.645 12.527 -9.281 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.502 11.229 -7.527 1.00 0.00 H new TER 1506 PHE A 88