USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 703 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 87 THR OG1 : rot 108:sc= -1.8! USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.28 K(o=-2.1,f=-9.3!) USER MOD Set 2.1: A 53 THR OG1 : rot 92:sc= 1.26 USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= 1.05 USER MOD Set 2.3: A 81 SER OG : rot 97:sc= -0.0992 USER MOD Set 3.1: A 66 GLN : amide:sc= -0.0375 K(o=0.059,f=-1.4) USER MOD Set 3.2: A 69 ASN : amide:sc= 0.097 K(o=0.059,f=-1.4!) USER MOD Set 4.1: A 4 THR OG1 : rot -78:sc= 0.881 USER MOD Set 4.2: A 13 THR OG1 : rot 180:sc= 0.768 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -146:sc= 1.31 (180deg=-1.05) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -121:sc= -4.36! (180deg=-7.46!) USER MOD Single : A 7 THR OG1 : rot -85:sc= 1.97 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -91:sc= -4.99! USER MOD Single : A 20 THR OG1 : rot 42:sc= 0.917 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.066 USER MOD Single : A 43 SER OG : rot 80:sc= 1.3 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -139:sc= -0.586 (180deg=-3.17!) USER MOD Single : A 56 GLN :FLIP amide:sc= -5.52! C(o=-9.7!,f=-5.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -9.68! C(o=-9.7!,f=-13!) USER MOD Single : A 60 SER OG : rot -80:sc= 0 USER MOD Single : A 67 MET CE :methyl 173:sc= -0.623 (180deg=-0.757) USER MOD Single : A 74 THR OG1 : rot 103:sc= 1.26 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -6.18! USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.402 F(o=-1.9,f=-0.4) USER MOD Single : A 89 GLN : amide:sc= -0.535 X(o=-0.53,f=-1) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -15.052 4.228 6.805 1.00 0.00 N ATOM 2 CA MET A 0 -13.699 3.861 6.409 1.00 0.00 C ATOM 3 C MET A 0 -12.861 5.113 6.243 1.00 0.00 C ATOM 4 O MET A 0 -13.350 6.227 6.436 1.00 0.00 O ATOM 5 CB MET A 0 -13.678 3.098 5.078 1.00 0.00 C ATOM 6 CG MET A 0 -14.868 2.186 4.813 1.00 0.00 C ATOM 7 SD MET A 0 -16.388 3.082 4.425 1.00 0.00 S ATOM 8 CE MET A 0 -17.514 1.722 4.123 1.00 0.00 C ATOM 0 H1 MET A 0 -15.436 3.502 7.443 1.00 0.00 H new ATOM 0 H2 MET A 0 -15.034 5.145 7.296 1.00 0.00 H new ATOM 0 H3 MET A 0 -15.654 4.300 5.960 1.00 0.00 H new ATOM 0 HA MET A 0 -13.297 3.217 7.191 1.00 0.00 H new ATOM 0 HB2 MET A 0 -13.614 3.823 4.267 1.00 0.00 H new ATOM 0 HB3 MET A 0 -12.769 2.497 5.041 1.00 0.00 H new ATOM 0 HG2 MET A 0 -14.627 1.519 3.985 1.00 0.00 H new ATOM 0 HG3 MET A 0 -15.038 1.560 5.689 1.00 0.00 H new ATOM 0 HE1 MET A 0 -18.499 2.114 3.870 1.00 0.00 H new ATOM 0 HE2 MET A 0 -17.141 1.118 3.296 1.00 0.00 H new ATOM 0 HE3 MET A 0 -17.588 1.105 5.019 1.00 0.00 H new ATOM 18 N TYR A 1 -11.601 4.925 5.891 1.00 0.00 N ATOM 19 CA TYR A 1 -10.743 6.038 5.538 1.00 0.00 C ATOM 20 C TYR A 1 -10.615 6.116 4.027 1.00 0.00 C ATOM 21 O TYR A 1 -10.523 5.086 3.351 1.00 0.00 O ATOM 22 CB TYR A 1 -9.353 5.889 6.148 1.00 0.00 C ATOM 23 CG TYR A 1 -9.341 5.726 7.654 1.00 0.00 C ATOM 24 CD1 TYR A 1 -9.317 6.837 8.487 1.00 0.00 C ATOM 25 CD2 TYR A 1 -9.340 4.467 8.242 1.00 0.00 C ATOM 26 CE1 TYR A 1 -9.288 6.700 9.861 1.00 0.00 C ATOM 27 CE2 TYR A 1 -9.311 4.324 9.615 1.00 0.00 C ATOM 28 CZ TYR A 1 -9.284 5.442 10.419 1.00 0.00 C ATOM 29 OH TYR A 1 -9.249 5.300 11.788 1.00 0.00 O ATOM 0 H TYR A 1 -11.151 4.011 5.843 1.00 0.00 H new ATOM 0 HA TYR A 1 -11.194 6.949 5.931 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -8.863 5.025 5.698 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -8.759 6.765 5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -9.321 7.826 8.053 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -9.362 3.587 7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -9.269 7.575 10.494 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -9.309 3.339 10.057 1.00 0.00 H new ATOM 0 HH TYR A 1 -9.252 4.347 12.018 1.00 0.00 H new ATOM 39 N LYS A 2 -10.612 7.326 3.503 1.00 0.00 N ATOM 40 CA LYS A 2 -10.493 7.529 2.072 1.00 0.00 C ATOM 41 C LYS A 2 -9.040 7.560 1.652 1.00 0.00 C ATOM 42 O LYS A 2 -8.332 8.544 1.858 1.00 0.00 O ATOM 43 CB LYS A 2 -11.203 8.810 1.634 1.00 0.00 C ATOM 44 CG LYS A 2 -12.702 8.639 1.458 1.00 0.00 C ATOM 45 CD LYS A 2 -13.397 9.964 1.178 1.00 0.00 C ATOM 46 CE LYS A 2 -12.949 10.572 -0.142 1.00 0.00 C ATOM 47 NZ LYS A 2 -13.593 11.886 -0.398 1.00 0.00 N ATOM 0 H LYS A 2 -10.691 8.185 4.048 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.978 6.688 1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.018 9.590 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.771 9.153 0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.894 7.948 0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.124 8.191 2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.476 9.811 1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.188 10.662 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.866 10.695 -0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.187 9.887 -0.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.260 12.265 -1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.626 11.766 -0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.345 12.548 0.364 1.00 0.00 H new ATOM 61 N VAL A 3 -8.604 6.463 1.079 1.00 0.00 N ATOM 62 CA VAL A 3 -7.254 6.343 0.594 1.00 0.00 C ATOM 63 C VAL A 3 -7.256 6.386 -0.927 1.00 0.00 C ATOM 64 O VAL A 3 -7.936 5.604 -1.592 1.00 0.00 O ATOM 65 CB VAL A 3 -6.576 5.058 1.142 1.00 0.00 C ATOM 66 CG1 VAL A 3 -7.587 4.193 1.872 1.00 0.00 C ATOM 67 CG2 VAL A 3 -5.873 4.258 0.058 1.00 0.00 C ATOM 0 H VAL A 3 -9.176 5.631 0.937 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.664 7.184 0.958 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.808 5.381 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.094 3.297 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.010 4.753 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.384 3.907 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.417 3.371 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.597 3.956 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.100 4.872 -0.404 1.00 0.00 H new ATOM 77 N THR A 4 -6.537 7.343 -1.466 1.00 0.00 N ATOM 78 CA THR A 4 -6.459 7.519 -2.893 1.00 0.00 C ATOM 79 C THR A 4 -5.238 6.816 -3.425 1.00 0.00 C ATOM 80 O THR A 4 -4.113 7.284 -3.256 1.00 0.00 O ATOM 81 CB THR A 4 -6.396 9.002 -3.267 1.00 0.00 C ATOM 82 OG1 THR A 4 -7.366 9.734 -2.498 1.00 0.00 O ATOM 83 CG2 THR A 4 -6.678 9.195 -4.752 1.00 0.00 C ATOM 0 H THR A 4 -5.993 8.018 -0.928 1.00 0.00 H new ATOM 0 HA THR A 4 -7.358 7.091 -3.336 1.00 0.00 H new ATOM 0 HB THR A 4 -5.394 9.373 -3.050 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.256 9.607 -2.888 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.628 10.256 -4.997 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.935 8.652 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.672 8.815 -4.986 1.00 0.00 H new ATOM 91 N LEU A 5 -5.454 5.699 -4.073 1.00 0.00 N ATOM 92 CA LEU A 5 -4.361 4.905 -4.542 1.00 0.00 C ATOM 93 C LEU A 5 -3.884 5.400 -5.879 1.00 0.00 C ATOM 94 O LEU A 5 -4.671 5.680 -6.779 1.00 0.00 O ATOM 95 CB LEU A 5 -4.731 3.425 -4.600 1.00 0.00 C ATOM 96 CG LEU A 5 -4.705 2.728 -3.238 1.00 0.00 C ATOM 97 CD1 LEU A 5 -6.070 2.177 -2.890 1.00 0.00 C ATOM 98 CD2 LEU A 5 -3.664 1.621 -3.221 1.00 0.00 C ATOM 0 H LEU A 5 -6.379 5.324 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.542 5.006 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.728 3.326 -5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.042 2.914 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.433 3.468 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.027 1.686 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.793 2.992 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.375 1.455 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.662 1.138 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.903 0.885 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.679 2.045 -3.419 1.00 0.00 H new ATOM 110 N LYS A 6 -2.583 5.535 -5.979 1.00 0.00 N ATOM 111 CA LYS A 6 -1.949 5.926 -7.201 1.00 0.00 C ATOM 112 C LYS A 6 -1.531 4.692 -7.965 1.00 0.00 C ATOM 113 O LYS A 6 -0.599 3.978 -7.583 1.00 0.00 O ATOM 114 CB LYS A 6 -0.719 6.756 -6.876 1.00 0.00 C ATOM 115 CG LYS A 6 -0.849 8.233 -7.164 1.00 0.00 C ATOM 116 CD LYS A 6 -1.547 9.021 -6.065 1.00 0.00 C ATOM 117 CE LYS A 6 -3.015 8.719 -5.960 1.00 0.00 C ATOM 118 NZ LYS A 6 -3.763 9.936 -5.546 1.00 0.00 N ATOM 0 H LYS A 6 -1.937 5.374 -5.206 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.642 6.511 -7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.481 6.627 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.125 6.364 -7.443 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.146 8.651 -7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.400 8.364 -8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.069 8.802 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.414 10.087 -6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.390 8.362 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.178 7.920 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.268 9.747 -4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.097 10.722 -5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.448 10.191 -6.286 1.00 0.00 H new ATOM 132 N THR A 7 -2.250 4.433 -9.029 1.00 0.00 N ATOM 133 CA THR A 7 -1.957 3.309 -9.877 1.00 0.00 C ATOM 134 C THR A 7 -1.197 3.804 -11.094 1.00 0.00 C ATOM 135 O THR A 7 -1.209 5.001 -11.390 1.00 0.00 O ATOM 136 CB THR A 7 -3.251 2.580 -10.321 1.00 0.00 C ATOM 137 OG1 THR A 7 -3.905 3.321 -11.355 1.00 0.00 O ATOM 138 CG2 THR A 7 -4.215 2.400 -9.152 1.00 0.00 C ATOM 0 H THR A 7 -3.049 4.992 -9.328 1.00 0.00 H new ATOM 0 HA THR A 7 -1.354 2.594 -9.318 1.00 0.00 H new ATOM 0 HB THR A 7 -2.964 1.597 -10.693 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.478 4.007 -10.953 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.112 1.886 -9.496 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.735 1.809 -8.372 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.488 3.376 -8.751 1.00 0.00 H new ATOM 146 N PRO A 8 -0.499 2.905 -11.794 1.00 0.00 N ATOM 147 CA PRO A 8 0.201 3.238 -13.038 1.00 0.00 C ATOM 148 C PRO A 8 -0.744 3.787 -14.108 1.00 0.00 C ATOM 149 O PRO A 8 -0.307 4.356 -15.112 1.00 0.00 O ATOM 150 CB PRO A 8 0.806 1.910 -13.482 1.00 0.00 C ATOM 151 CG PRO A 8 0.849 1.065 -12.253 1.00 0.00 C ATOM 152 CD PRO A 8 -0.306 1.501 -11.407 1.00 0.00 C ATOM 0 HA PRO A 8 0.943 4.022 -12.887 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.201 1.443 -14.259 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.804 2.052 -13.897 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.770 0.007 -12.505 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.792 1.197 -11.722 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.196 0.904 -11.604 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.085 1.404 -10.344 1.00 0.00 H new ATOM 160 N SER A 9 -2.043 3.607 -13.889 1.00 0.00 N ATOM 161 CA SER A 9 -3.051 4.133 -14.783 1.00 0.00 C ATOM 162 C SER A 9 -3.606 5.465 -14.260 1.00 0.00 C ATOM 163 O SER A 9 -3.947 6.353 -15.041 1.00 0.00 O ATOM 164 CB SER A 9 -4.168 3.104 -14.929 1.00 0.00 C ATOM 165 OG SER A 9 -3.648 1.848 -15.348 1.00 0.00 O ATOM 0 H SER A 9 -2.418 3.095 -13.090 1.00 0.00 H new ATOM 0 HA SER A 9 -2.603 4.325 -15.758 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.688 2.988 -13.978 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.902 3.458 -15.653 1.00 0.00 H new ATOM 0 HG SER A 9 -4.381 1.203 -15.434 1.00 0.00 H new ATOM 171 N GLY A 10 -3.669 5.613 -12.938 1.00 0.00 N ATOM 172 CA GLY A 10 -4.161 6.849 -12.352 1.00 0.00 C ATOM 173 C GLY A 10 -4.573 6.695 -10.897 1.00 0.00 C ATOM 174 O GLY A 10 -4.547 5.596 -10.348 1.00 0.00 O ATOM 0 H GLY A 10 -3.389 4.901 -12.264 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.387 7.613 -12.426 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.014 7.204 -12.930 1.00 0.00 H new ATOM 178 N ASP A 11 -4.946 7.801 -10.269 1.00 0.00 N ATOM 179 CA ASP A 11 -5.372 7.792 -8.870 1.00 0.00 C ATOM 180 C ASP A 11 -6.833 7.395 -8.748 1.00 0.00 C ATOM 181 O ASP A 11 -7.643 7.663 -9.637 1.00 0.00 O ATOM 182 CB ASP A 11 -5.156 9.177 -8.240 1.00 0.00 C ATOM 183 CG ASP A 11 -6.280 10.156 -8.540 1.00 0.00 C ATOM 184 OD1 ASP A 11 -7.300 10.139 -7.821 1.00 0.00 O ATOM 185 OD2 ASP A 11 -6.144 10.954 -9.489 1.00 0.00 O ATOM 0 H ASP A 11 -4.963 8.722 -10.706 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.768 7.056 -8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.059 9.066 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.216 9.591 -8.604 1.00 0.00 H new ATOM 190 N LYS A 12 -7.152 6.723 -7.655 1.00 0.00 N ATOM 191 CA LYS A 12 -8.528 6.386 -7.331 1.00 0.00 C ATOM 192 C LYS A 12 -8.706 6.285 -5.824 1.00 0.00 C ATOM 193 O LYS A 12 -7.894 5.673 -5.135 1.00 0.00 O ATOM 194 CB LYS A 12 -8.906 5.059 -7.968 1.00 0.00 C ATOM 195 CG LYS A 12 -10.364 4.655 -7.756 1.00 0.00 C ATOM 196 CD LYS A 12 -11.306 5.461 -8.634 1.00 0.00 C ATOM 197 CE LYS A 12 -11.106 5.136 -10.104 1.00 0.00 C ATOM 198 NZ LYS A 12 -12.030 5.906 -10.975 1.00 0.00 N ATOM 0 H LYS A 12 -6.469 6.397 -6.971 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.174 7.173 -7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.708 5.113 -9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.262 4.278 -7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.483 3.594 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.632 4.797 -6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.338 5.253 -8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.139 6.525 -8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.076 5.354 -10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.262 4.069 -10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.860 5.654 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.013 5.680 -10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.864 6.924 -10.843 1.00 0.00 H new ATOM 212 N THR A 13 -9.763 6.886 -5.324 1.00 0.00 N ATOM 213 CA THR A 13 -10.067 6.847 -3.906 1.00 0.00 C ATOM 214 C THR A 13 -10.909 5.645 -3.550 1.00 0.00 C ATOM 215 O THR A 13 -11.989 5.422 -4.099 1.00 0.00 O ATOM 216 CB THR A 13 -10.780 8.124 -3.454 1.00 0.00 C ATOM 217 OG1 THR A 13 -9.932 9.263 -3.675 1.00 0.00 O ATOM 218 CG2 THR A 13 -11.156 8.041 -1.982 1.00 0.00 C ATOM 0 H THR A 13 -10.434 7.413 -5.883 1.00 0.00 H new ATOM 0 HA THR A 13 -9.114 6.771 -3.383 1.00 0.00 H new ATOM 0 HB THR A 13 -11.693 8.233 -4.039 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.395 10.077 -3.385 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.661 8.959 -1.683 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.822 7.193 -1.824 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.255 7.912 -1.383 1.00 0.00 H new ATOM 226 N ILE A 14 -10.376 4.873 -2.632 1.00 0.00 N ATOM 227 CA ILE A 14 -11.066 3.753 -2.065 1.00 0.00 C ATOM 228 C ILE A 14 -11.503 4.112 -0.650 1.00 0.00 C ATOM 229 O ILE A 14 -11.081 5.136 -0.106 1.00 0.00 O ATOM 230 CB ILE A 14 -10.143 2.523 -1.991 1.00 0.00 C ATOM 231 CG1 ILE A 14 -9.023 2.759 -0.999 1.00 0.00 C ATOM 232 CG2 ILE A 14 -9.541 2.201 -3.334 1.00 0.00 C ATOM 233 CD1 ILE A 14 -8.465 1.485 -0.412 1.00 0.00 C ATOM 0 H ILE A 14 -9.438 5.013 -2.257 1.00 0.00 H new ATOM 0 HA ILE A 14 -11.925 3.517 -2.693 1.00 0.00 H new ATOM 0 HB ILE A 14 -10.756 1.681 -1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.219 3.306 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.390 3.392 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -8.895 1.327 -3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.337 1.992 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -8.954 3.051 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.667 1.727 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.257 0.948 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.068 0.859 -1.211 1.00 0.00 H new ATOM 245 N GLU A 15 -12.325 3.273 -0.054 1.00 0.00 N ATOM 246 CA GLU A 15 -12.699 3.442 1.339 1.00 0.00 C ATOM 247 C GLU A 15 -12.378 2.175 2.103 1.00 0.00 C ATOM 248 O GLU A 15 -13.124 1.196 2.050 1.00 0.00 O ATOM 249 CB GLU A 15 -14.176 3.813 1.478 1.00 0.00 C ATOM 250 CG GLU A 15 -14.483 5.230 1.017 1.00 0.00 C ATOM 251 CD GLU A 15 -15.885 5.672 1.372 1.00 0.00 C ATOM 252 OE1 GLU A 15 -16.844 5.185 0.736 1.00 0.00 O ATOM 253 OE2 GLU A 15 -16.033 6.511 2.290 1.00 0.00 O ATOM 0 H GLU A 15 -12.748 2.466 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.124 4.266 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.776 3.111 0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.475 3.704 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.766 5.917 1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.350 5.292 -0.063 1.00 0.00 H new ATOM 260 N CYS A 16 -11.258 2.201 2.809 1.00 0.00 N ATOM 261 CA CYS A 16 -10.776 1.027 3.498 1.00 0.00 C ATOM 262 C CYS A 16 -10.986 1.166 4.996 1.00 0.00 C ATOM 263 O CYS A 16 -10.529 2.132 5.612 1.00 0.00 O ATOM 264 CB CYS A 16 -9.301 0.795 3.197 1.00 0.00 C ATOM 265 SG CYS A 16 -8.887 -0.949 3.040 1.00 0.00 S ATOM 0 H CYS A 16 -10.669 3.027 2.916 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.343 0.167 3.142 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -9.038 1.311 2.273 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.699 1.237 3.991 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.527 -1.416 4.199 1.00 0.00 H new ATOM 271 N PRO A 17 -11.735 0.225 5.582 1.00 0.00 N ATOM 272 CA PRO A 17 -11.996 0.192 7.023 1.00 0.00 C ATOM 273 C PRO A 17 -10.733 0.048 7.858 1.00 0.00 C ATOM 274 O PRO A 17 -9.699 -0.423 7.382 1.00 0.00 O ATOM 275 CB PRO A 17 -12.867 -1.052 7.198 1.00 0.00 C ATOM 276 CG PRO A 17 -13.461 -1.299 5.861 1.00 0.00 C ATOM 277 CD PRO A 17 -12.420 -0.869 4.875 1.00 0.00 C ATOM 0 HA PRO A 17 -12.456 1.121 7.359 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.274 -1.905 7.530 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.640 -0.890 7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.713 -2.352 5.732 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.383 -0.732 5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.737 -1.681 4.628 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.864 -0.530 3.939 1.00 0.00 H new ATOM 285 N ALA A 18 -10.855 0.418 9.123 1.00 0.00 N ATOM 286 CA ALA A 18 -9.749 0.375 10.073 1.00 0.00 C ATOM 287 C ALA A 18 -9.436 -1.055 10.513 1.00 0.00 C ATOM 288 O ALA A 18 -8.684 -1.267 11.467 1.00 0.00 O ATOM 289 CB ALA A 18 -10.066 1.240 11.284 1.00 0.00 C ATOM 0 H ALA A 18 -11.729 0.759 9.524 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.864 0.767 9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.234 1.201 11.987 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.223 2.270 10.964 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.969 0.869 11.770 1.00 0.00 H new ATOM 295 N ASP A 19 -10.052 -2.027 9.853 1.00 0.00 N ATOM 296 CA ASP A 19 -9.823 -3.434 10.165 1.00 0.00 C ATOM 297 C ASP A 19 -9.559 -4.252 8.905 1.00 0.00 C ATOM 298 O ASP A 19 -9.143 -5.406 8.984 1.00 0.00 O ATOM 299 CB ASP A 19 -11.027 -4.033 10.891 1.00 0.00 C ATOM 300 CG ASP A 19 -12.261 -4.106 10.007 1.00 0.00 C ATOM 301 OD1 ASP A 19 -12.394 -5.081 9.235 1.00 0.00 O ATOM 302 OD2 ASP A 19 -13.099 -3.185 10.071 1.00 0.00 O ATOM 0 H ASP A 19 -10.716 -1.867 9.096 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.944 -3.475 10.808 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.775 -5.034 11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.251 -3.433 11.773 1.00 0.00 H new ATOM 307 N THR A 20 -9.790 -3.652 7.748 1.00 0.00 N ATOM 308 CA THR A 20 -9.744 -4.370 6.490 1.00 0.00 C ATOM 309 C THR A 20 -8.617 -3.836 5.611 1.00 0.00 C ATOM 310 O THR A 20 -8.517 -2.635 5.390 1.00 0.00 O ATOM 311 CB THR A 20 -11.097 -4.252 5.758 1.00 0.00 C ATOM 312 OG1 THR A 20 -12.100 -5.010 6.453 1.00 0.00 O ATOM 313 CG2 THR A 20 -10.994 -4.725 4.314 1.00 0.00 C ATOM 0 H THR A 20 -10.013 -2.661 7.657 1.00 0.00 H new ATOM 0 HA THR A 20 -9.550 -5.422 6.698 1.00 0.00 H new ATOM 0 HB THR A 20 -11.380 -3.200 5.746 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.000 -4.876 7.419 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.965 -4.628 3.829 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.261 -4.117 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.682 -5.769 4.295 1.00 0.00 H new ATOM 321 N TYR A 21 -7.783 -4.744 5.110 1.00 0.00 N ATOM 322 CA TYR A 21 -6.587 -4.376 4.356 1.00 0.00 C ATOM 323 C TYR A 21 -6.928 -3.716 3.023 1.00 0.00 C ATOM 324 O TYR A 21 -7.883 -4.102 2.346 1.00 0.00 O ATOM 325 CB TYR A 21 -5.712 -5.613 4.120 1.00 0.00 C ATOM 326 CG TYR A 21 -6.475 -6.925 4.117 1.00 0.00 C ATOM 327 CD1 TYR A 21 -7.438 -7.201 3.155 1.00 0.00 C ATOM 328 CD2 TYR A 21 -6.230 -7.885 5.089 1.00 0.00 C ATOM 329 CE1 TYR A 21 -8.133 -8.397 3.162 1.00 0.00 C ATOM 330 CE2 TYR A 21 -6.920 -9.081 5.102 1.00 0.00 C ATOM 331 CZ TYR A 21 -7.869 -9.332 4.138 1.00 0.00 C ATOM 332 OH TYR A 21 -8.560 -10.523 4.156 1.00 0.00 O ATOM 0 H TYR A 21 -7.916 -5.750 5.214 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.038 -3.647 4.952 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.197 -5.503 3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.945 -5.654 4.893 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.648 -6.470 2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.487 -7.693 5.849 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.878 -8.596 2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.716 -9.817 5.866 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.251 -11.069 4.909 1.00 0.00 H new ATOM 342 N ILE A 22 -6.108 -2.712 2.675 1.00 0.00 N ATOM 343 CA ILE A 22 -6.359 -1.797 1.551 1.00 0.00 C ATOM 344 C ILE A 22 -6.815 -2.512 0.292 1.00 0.00 C ATOM 345 O ILE A 22 -7.737 -2.041 -0.356 1.00 0.00 O ATOM 346 CB ILE A 22 -5.104 -0.944 1.238 1.00 0.00 C ATOM 347 CG1 ILE A 22 -4.895 0.076 2.359 1.00 0.00 C ATOM 348 CG2 ILE A 22 -5.259 -0.235 -0.103 1.00 0.00 C ATOM 349 CD1 ILE A 22 -3.441 0.362 2.707 1.00 0.00 C ATOM 0 H ILE A 22 -5.241 -2.510 3.173 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.174 -1.147 1.871 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.233 -1.597 1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.375 1.012 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.403 -0.282 3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.368 0.359 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.389 -0.975 -0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.131 0.418 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.397 1.096 3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.956 -0.559 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.927 0.754 1.829 1.00 0.00 H new ATOM 361 N LEU A 23 -6.200 -3.649 -0.037 1.00 0.00 N ATOM 362 CA LEU A 23 -6.466 -4.306 -1.319 1.00 0.00 C ATOM 363 C LEU A 23 -7.947 -4.621 -1.534 1.00 0.00 C ATOM 364 O LEU A 23 -8.399 -4.657 -2.672 1.00 0.00 O ATOM 365 CB LEU A 23 -5.610 -5.569 -1.525 1.00 0.00 C ATOM 366 CG LEU A 23 -5.558 -6.588 -0.378 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.881 -7.317 -0.211 1.00 0.00 C ATOM 368 CD2 LEU A 23 -4.447 -7.591 -0.632 1.00 0.00 C ATOM 0 H LEU A 23 -5.523 -4.129 0.556 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.175 -3.578 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.977 -6.082 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.589 -5.252 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.360 -6.042 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.803 -8.029 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.669 -6.596 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.122 -7.850 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.414 -8.312 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.636 -8.113 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.492 -7.069 -0.694 1.00 0.00 H new ATOM 380 N ASP A 24 -8.703 -4.818 -0.458 1.00 0.00 N ATOM 381 CA ASP A 24 -10.123 -5.150 -0.579 1.00 0.00 C ATOM 382 C ASP A 24 -10.895 -3.969 -1.143 1.00 0.00 C ATOM 383 O ASP A 24 -11.659 -4.093 -2.102 1.00 0.00 O ATOM 384 CB ASP A 24 -10.707 -5.533 0.775 1.00 0.00 C ATOM 385 CG ASP A 24 -12.137 -6.020 0.660 1.00 0.00 C ATOM 386 OD1 ASP A 24 -12.341 -7.225 0.402 1.00 0.00 O ATOM 387 OD2 ASP A 24 -13.064 -5.201 0.825 1.00 0.00 O ATOM 0 H ASP A 24 -8.362 -4.755 0.501 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.212 -5.999 -1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.094 -6.313 1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.670 -4.672 1.442 1.00 0.00 H new ATOM 392 N ALA A 25 -10.691 -2.823 -0.535 1.00 0.00 N ATOM 393 CA ALA A 25 -11.290 -1.589 -1.005 1.00 0.00 C ATOM 394 C ALA A 25 -10.610 -1.131 -2.289 1.00 0.00 C ATOM 395 O ALA A 25 -11.222 -0.488 -3.137 1.00 0.00 O ATOM 396 CB ALA A 25 -11.195 -0.534 0.073 1.00 0.00 C ATOM 0 H ALA A 25 -10.109 -2.717 0.296 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.344 -1.758 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.646 0.392 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.723 -0.875 0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.148 -0.357 0.317 1.00 0.00 H new ATOM 402 N ALA A 26 -9.338 -1.475 -2.416 1.00 0.00 N ATOM 403 CA ALA A 26 -8.548 -1.151 -3.590 1.00 0.00 C ATOM 404 C ALA A 26 -9.184 -1.737 -4.851 1.00 0.00 C ATOM 405 O ALA A 26 -9.411 -1.034 -5.835 1.00 0.00 O ATOM 406 CB ALA A 26 -7.138 -1.675 -3.424 1.00 0.00 C ATOM 0 H ALA A 26 -8.823 -1.990 -1.702 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.516 -0.067 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.552 -1.428 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.681 -1.218 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.165 -2.757 -3.297 1.00 0.00 H new ATOM 412 N GLU A 27 -9.486 -3.034 -4.810 1.00 0.00 N ATOM 413 CA GLU A 27 -10.128 -3.706 -5.926 1.00 0.00 C ATOM 414 C GLU A 27 -11.556 -3.208 -6.096 1.00 0.00 C ATOM 415 O GLU A 27 -12.080 -3.165 -7.207 1.00 0.00 O ATOM 416 CB GLU A 27 -10.114 -5.218 -5.722 1.00 0.00 C ATOM 417 CG GLU A 27 -10.559 -5.653 -4.341 1.00 0.00 C ATOM 418 CD GLU A 27 -11.004 -7.099 -4.281 1.00 0.00 C ATOM 419 OE1 GLU A 27 -10.141 -7.996 -4.303 1.00 0.00 O ATOM 420 OE2 GLU A 27 -12.227 -7.343 -4.191 1.00 0.00 O ATOM 0 H GLU A 27 -9.293 -3.637 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.569 -3.475 -6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.763 -5.681 -6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.106 -5.590 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.739 -5.504 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.379 -5.014 -4.013 1.00 0.00 H new ATOM 427 N GLU A 28 -12.174 -2.838 -4.979 1.00 0.00 N ATOM 428 CA GLU A 28 -13.512 -2.260 -4.985 1.00 0.00 C ATOM 429 C GLU A 28 -13.539 -0.996 -5.833 1.00 0.00 C ATOM 430 O GLU A 28 -14.484 -0.744 -6.582 1.00 0.00 O ATOM 431 CB GLU A 28 -13.938 -1.927 -3.556 1.00 0.00 C ATOM 432 CG GLU A 28 -15.253 -2.564 -3.137 1.00 0.00 C ATOM 433 CD GLU A 28 -16.377 -2.288 -4.114 1.00 0.00 C ATOM 434 OE1 GLU A 28 -17.040 -1.240 -3.979 1.00 0.00 O ATOM 435 OE2 GLU A 28 -16.601 -3.123 -5.020 1.00 0.00 O ATOM 0 H GLU A 28 -11.764 -2.930 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.204 -2.986 -5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.155 -2.250 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.023 -0.845 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.116 -3.641 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.534 -2.191 -2.152 1.00 0.00 H new ATOM 442 N ALA A 29 -12.485 -0.209 -5.702 1.00 0.00 N ATOM 443 CA ALA A 29 -12.343 1.037 -6.451 1.00 0.00 C ATOM 444 C ALA A 29 -12.059 0.786 -7.925 1.00 0.00 C ATOM 445 O ALA A 29 -12.368 1.620 -8.774 1.00 0.00 O ATOM 446 CB ALA A 29 -11.247 1.867 -5.846 1.00 0.00 C ATOM 0 H ALA A 29 -11.704 -0.411 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.289 1.575 -6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.143 2.796 -6.406 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.493 2.094 -4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.309 1.314 -5.883 1.00 0.00 H new ATOM 452 N GLY A 30 -11.455 -0.354 -8.227 1.00 0.00 N ATOM 453 CA GLY A 30 -11.240 -0.720 -9.611 1.00 0.00 C ATOM 454 C GLY A 30 -9.785 -0.707 -10.015 1.00 0.00 C ATOM 455 O GLY A 30 -9.471 -0.568 -11.195 1.00 0.00 O ATOM 0 H GLY A 30 -11.112 -1.028 -7.543 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.649 -1.716 -9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.793 -0.033 -10.251 1.00 0.00 H new ATOM 459 N LEU A 31 -8.890 -0.831 -9.050 1.00 0.00 N ATOM 460 CA LEU A 31 -7.465 -0.847 -9.348 1.00 0.00 C ATOM 461 C LEU A 31 -7.023 -2.236 -9.778 1.00 0.00 C ATOM 462 O LEU A 31 -7.522 -3.240 -9.266 1.00 0.00 O ATOM 463 CB LEU A 31 -6.665 -0.448 -8.118 1.00 0.00 C ATOM 464 CG LEU A 31 -7.324 0.588 -7.219 1.00 0.00 C ATOM 465 CD1 LEU A 31 -6.416 0.906 -6.062 1.00 0.00 C ATOM 466 CD2 LEU A 31 -7.668 1.851 -7.983 1.00 0.00 C ATOM 0 H LEU A 31 -9.120 -0.922 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.286 -0.138 -10.156 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.467 -1.343 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.699 -0.061 -8.443 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.257 0.169 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.891 1.648 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.226 -0.001 -5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.473 1.302 -6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.137 2.568 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.758 2.285 -8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.357 1.610 -8.793 1.00 0.00 H new ATOM 478 N ASP A 32 -6.082 -2.293 -10.705 1.00 0.00 N ATOM 479 CA ASP A 32 -5.461 -3.556 -11.081 1.00 0.00 C ATOM 480 C ASP A 32 -4.288 -3.831 -10.150 1.00 0.00 C ATOM 481 O ASP A 32 -3.126 -3.870 -10.550 1.00 0.00 O ATOM 482 CB ASP A 32 -5.014 -3.537 -12.546 1.00 0.00 C ATOM 483 CG ASP A 32 -4.279 -4.800 -12.957 1.00 0.00 C ATOM 484 OD1 ASP A 32 -4.863 -5.901 -12.860 1.00 0.00 O ATOM 485 OD2 ASP A 32 -3.107 -4.697 -13.382 1.00 0.00 O ATOM 0 H ASP A 32 -5.730 -1.481 -11.212 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.192 -4.359 -10.981 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.887 -3.407 -13.185 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.367 -2.676 -12.712 1.00 0.00 H new ATOM 490 N LEU A 33 -4.610 -3.973 -8.881 1.00 0.00 N ATOM 491 CA LEU A 33 -3.619 -4.229 -7.859 1.00 0.00 C ATOM 492 C LEU A 33 -3.292 -5.717 -7.828 1.00 0.00 C ATOM 493 O LEU A 33 -4.194 -6.550 -7.730 1.00 0.00 O ATOM 494 CB LEU A 33 -4.162 -3.749 -6.514 1.00 0.00 C ATOM 495 CG LEU A 33 -3.116 -3.210 -5.542 1.00 0.00 C ATOM 496 CD1 LEU A 33 -3.778 -2.299 -4.526 1.00 0.00 C ATOM 497 CD2 LEU A 33 -2.392 -4.349 -4.843 1.00 0.00 C ATOM 0 H LEU A 33 -5.566 -3.914 -8.530 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.698 -3.688 -8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.900 -2.968 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.685 -4.577 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.379 -2.637 -6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.026 -1.918 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.254 -1.465 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.530 -2.859 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.651 -3.941 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.111 -4.951 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.894 -4.973 -5.585 1.00 0.00 H new ATOM 509 N PRO A 34 -1.998 -6.066 -7.941 1.00 0.00 N ATOM 510 CA PRO A 34 -1.549 -7.459 -7.976 1.00 0.00 C ATOM 511 C PRO A 34 -2.022 -8.251 -6.765 1.00 0.00 C ATOM 512 O PRO A 34 -1.892 -7.807 -5.623 1.00 0.00 O ATOM 513 CB PRO A 34 -0.018 -7.360 -7.992 1.00 0.00 C ATOM 514 CG PRO A 34 0.295 -5.959 -7.591 1.00 0.00 C ATOM 515 CD PRO A 34 -0.870 -5.130 -8.040 1.00 0.00 C ATOM 0 HA PRO A 34 -1.955 -7.988 -8.839 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.429 -8.075 -7.301 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.379 -7.583 -8.982 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.435 -5.884 -6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.219 -5.617 -8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.013 -4.257 -7.404 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.737 -4.764 -9.058 1.00 0.00 H new ATOM 523 N TYR A 35 -2.560 -9.430 -7.025 1.00 0.00 N ATOM 524 CA TYR A 35 -3.120 -10.266 -5.979 1.00 0.00 C ATOM 525 C TYR A 35 -2.496 -11.654 -6.033 1.00 0.00 C ATOM 526 O TYR A 35 -2.230 -12.179 -7.114 1.00 0.00 O ATOM 527 CB TYR A 35 -4.643 -10.353 -6.160 1.00 0.00 C ATOM 528 CG TYR A 35 -5.342 -11.273 -5.182 1.00 0.00 C ATOM 529 CD1 TYR A 35 -5.728 -10.820 -3.928 1.00 0.00 C ATOM 530 CD2 TYR A 35 -5.619 -12.592 -5.518 1.00 0.00 C ATOM 531 CE1 TYR A 35 -6.368 -11.659 -3.036 1.00 0.00 C ATOM 532 CE2 TYR A 35 -6.258 -13.435 -4.632 1.00 0.00 C ATOM 533 CZ TYR A 35 -6.631 -12.964 -3.393 1.00 0.00 C ATOM 534 OH TYR A 35 -7.263 -13.804 -2.505 1.00 0.00 O ATOM 0 H TYR A 35 -2.621 -9.832 -7.960 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.902 -9.829 -5.005 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.065 -9.353 -6.063 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.857 -10.692 -7.174 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.525 -9.797 -3.646 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.329 -12.964 -6.490 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.661 -11.294 -2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.464 -14.458 -4.909 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.374 -14.688 -2.913 1.00 0.00 H new ATOM 544 N SER A 36 -2.244 -12.238 -4.869 1.00 0.00 N ATOM 545 CA SER A 36 -1.702 -13.587 -4.798 1.00 0.00 C ATOM 546 C SER A 36 -2.132 -14.288 -3.507 1.00 0.00 C ATOM 547 O SER A 36 -3.019 -15.142 -3.524 1.00 0.00 O ATOM 548 CB SER A 36 -0.172 -13.560 -4.909 1.00 0.00 C ATOM 549 OG SER A 36 0.245 -12.944 -6.117 1.00 0.00 O ATOM 0 H SER A 36 -2.406 -11.799 -3.963 1.00 0.00 H new ATOM 0 HA SER A 36 -2.102 -14.153 -5.639 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.247 -13.021 -4.059 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.216 -14.577 -4.864 1.00 0.00 H new ATOM 0 HG SER A 36 1.224 -12.939 -6.161 1.00 0.00 H new ATOM 555 N CYS A 37 -1.524 -13.913 -2.388 1.00 0.00 N ATOM 556 CA CYS A 37 -1.785 -14.588 -1.126 1.00 0.00 C ATOM 557 C CYS A 37 -2.840 -13.860 -0.306 1.00 0.00 C ATOM 558 O CYS A 37 -3.710 -14.490 0.295 1.00 0.00 O ATOM 559 CB CYS A 37 -0.495 -14.699 -0.311 1.00 0.00 C ATOM 560 SG CYS A 37 0.203 -13.100 0.175 1.00 0.00 S ATOM 0 H CYS A 37 -0.851 -13.149 -2.330 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.162 -15.584 -1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.692 -15.286 0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.246 -15.246 -0.894 1.00 0.00 H new ATOM 565 N ARG A 38 -2.735 -12.526 -0.283 1.00 0.00 N ATOM 566 CA ARG A 38 -3.584 -11.672 0.550 1.00 0.00 C ATOM 567 C ARG A 38 -3.244 -11.897 2.025 1.00 0.00 C ATOM 568 O ARG A 38 -4.028 -11.579 2.918 1.00 0.00 O ATOM 569 CB ARG A 38 -5.076 -11.939 0.287 1.00 0.00 C ATOM 570 CG ARG A 38 -6.004 -10.870 0.849 1.00 0.00 C ATOM 571 CD ARG A 38 -7.468 -11.252 0.694 1.00 0.00 C ATOM 572 NE ARG A 38 -7.808 -12.450 1.463 1.00 0.00 N ATOM 573 CZ ARG A 38 -9.041 -12.943 1.574 1.00 0.00 C ATOM 574 NH1 ARG A 38 -10.064 -12.331 0.987 1.00 0.00 N ATOM 575 NH2 ARG A 38 -9.253 -14.041 2.287 1.00 0.00 N ATOM 0 H ARG A 38 -2.057 -12.009 -0.843 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.391 -10.631 0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.237 -12.017 -0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.344 -12.903 0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.780 -10.712 1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.819 -9.924 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.095 -10.422 1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.688 -11.423 -0.360 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.053 -12.939 1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.908 -11.479 0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.006 -12.713 1.075 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.473 -14.507 2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.196 -14.419 2.373 1.00 0.00 H new ATOM 589 N ALA A 39 -2.052 -12.435 2.271 1.00 0.00 N ATOM 590 CA ALA A 39 -1.632 -12.781 3.623 1.00 0.00 C ATOM 591 C ALA A 39 -0.221 -12.286 3.923 1.00 0.00 C ATOM 592 O ALA A 39 0.231 -12.339 5.066 1.00 0.00 O ATOM 593 CB ALA A 39 -1.710 -14.285 3.826 1.00 0.00 C ATOM 0 H ALA A 39 -1.361 -12.640 1.550 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.311 -12.285 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.394 -14.532 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.736 -14.620 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.056 -14.783 3.110 1.00 0.00 H new ATOM 599 N GLY A 40 0.474 -11.812 2.900 1.00 0.00 N ATOM 600 CA GLY A 40 1.802 -11.273 3.104 1.00 0.00 C ATOM 601 C GLY A 40 2.897 -12.294 2.864 1.00 0.00 C ATOM 602 O GLY A 40 3.833 -12.410 3.658 1.00 0.00 O ATOM 0 H GLY A 40 0.143 -11.791 1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.951 -10.425 2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.882 -10.894 4.123 1.00 0.00 H new ATOM 606 N ALA A 41 2.781 -13.049 1.781 1.00 0.00 N ATOM 607 CA ALA A 41 3.807 -14.018 1.420 1.00 0.00 C ATOM 608 C ALA A 41 4.824 -13.391 0.469 1.00 0.00 C ATOM 609 O ALA A 41 5.864 -13.983 0.168 1.00 0.00 O ATOM 610 CB ALA A 41 3.177 -15.252 0.793 1.00 0.00 C ATOM 0 H ALA A 41 1.990 -13.010 1.139 1.00 0.00 H new ATOM 0 HA ALA A 41 4.329 -14.323 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.958 -15.965 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.491 -15.712 1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.630 -14.965 -0.105 1.00 0.00 H new ATOM 616 N CYS A 42 4.516 -12.190 0.008 1.00 0.00 N ATOM 617 CA CYS A 42 5.383 -11.454 -0.897 1.00 0.00 C ATOM 618 C CYS A 42 5.263 -9.960 -0.614 1.00 0.00 C ATOM 619 O CYS A 42 4.640 -9.561 0.372 1.00 0.00 O ATOM 620 CB CYS A 42 4.994 -11.756 -2.346 1.00 0.00 C ATOM 621 SG CYS A 42 3.258 -11.418 -2.733 1.00 0.00 S ATOM 0 H CYS A 42 3.657 -11.697 0.251 1.00 0.00 H new ATOM 0 HA CYS A 42 6.417 -11.761 -0.743 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.625 -11.165 -3.011 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.204 -12.805 -2.556 1.00 0.00 H new ATOM 626 N SER A 43 5.876 -9.134 -1.451 1.00 0.00 N ATOM 627 CA SER A 43 5.762 -7.698 -1.289 1.00 0.00 C ATOM 628 C SER A 43 5.698 -6.978 -2.633 1.00 0.00 C ATOM 629 O SER A 43 5.767 -5.760 -2.687 1.00 0.00 O ATOM 630 CB SER A 43 6.922 -7.164 -0.448 1.00 0.00 C ATOM 631 OG SER A 43 8.169 -7.485 -1.033 1.00 0.00 O ATOM 0 H SER A 43 6.450 -9.433 -2.239 1.00 0.00 H new ATOM 0 HA SER A 43 4.826 -7.498 -0.768 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.833 -6.082 -0.346 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.870 -7.584 0.556 1.00 0.00 H new ATOM 0 HG SER A 43 8.365 -6.851 -1.754 1.00 0.00 H new ATOM 637 N SER A 44 5.536 -7.725 -3.722 1.00 0.00 N ATOM 638 CA SER A 44 5.377 -7.113 -5.042 1.00 0.00 C ATOM 639 C SER A 44 4.090 -6.289 -5.077 1.00 0.00 C ATOM 640 O SER A 44 3.886 -5.436 -5.942 1.00 0.00 O ATOM 641 CB SER A 44 5.347 -8.194 -6.122 1.00 0.00 C ATOM 642 OG SER A 44 6.520 -8.993 -6.074 1.00 0.00 O ATOM 0 H SER A 44 5.511 -8.745 -3.720 1.00 0.00 H new ATOM 0 HA SER A 44 6.223 -6.454 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.468 -8.824 -5.987 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.259 -7.730 -7.104 1.00 0.00 H new ATOM 0 HG SER A 44 6.478 -9.679 -6.773 1.00 0.00 H new ATOM 648 N CYS A 45 3.241 -6.567 -4.108 1.00 0.00 N ATOM 649 CA CYS A 45 1.975 -5.892 -3.931 1.00 0.00 C ATOM 650 C CYS A 45 2.083 -4.783 -2.885 1.00 0.00 C ATOM 651 O CYS A 45 1.077 -4.203 -2.480 1.00 0.00 O ATOM 652 CB CYS A 45 0.980 -6.951 -3.487 1.00 0.00 C ATOM 653 SG CYS A 45 1.824 -8.466 -2.965 1.00 0.00 S ATOM 0 H CYS A 45 3.418 -7.286 -3.406 1.00 0.00 H new ATOM 0 HA CYS A 45 1.658 -5.416 -4.859 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.378 -6.565 -2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.296 -7.176 -4.305 1.00 0.00 H new ATOM 658 N ALA A 46 3.304 -4.491 -2.443 1.00 0.00 N ATOM 659 CA ALA A 46 3.514 -3.492 -1.405 1.00 0.00 C ATOM 660 C ALA A 46 3.341 -2.084 -1.958 1.00 0.00 C ATOM 661 O ALA A 46 4.148 -1.614 -2.766 1.00 0.00 O ATOM 662 CB ALA A 46 4.896 -3.650 -0.783 1.00 0.00 C ATOM 0 H ALA A 46 4.157 -4.931 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 46 2.762 -3.648 -0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.035 -2.895 -0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.985 -4.643 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.658 -3.526 -1.553 1.00 0.00 H new ATOM 668 N GLY A 47 2.302 -1.406 -1.487 1.00 0.00 N ATOM 669 CA GLY A 47 2.028 -0.061 -1.932 1.00 0.00 C ATOM 670 C GLY A 47 2.971 0.943 -1.316 1.00 0.00 C ATOM 671 O GLY A 47 3.780 0.603 -0.456 1.00 0.00 O ATOM 0 H GLY A 47 1.642 -1.770 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.109 -0.015 -3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.001 0.203 -1.678 1.00 0.00 H new ATOM 675 N LYS A 48 2.908 2.176 -1.776 1.00 0.00 N ATOM 676 CA LYS A 48 3.736 3.235 -1.232 1.00 0.00 C ATOM 677 C LYS A 48 2.869 4.299 -0.585 1.00 0.00 C ATOM 678 O LYS A 48 1.970 4.841 -1.220 1.00 0.00 O ATOM 679 CB LYS A 48 4.583 3.878 -2.333 1.00 0.00 C ATOM 680 CG LYS A 48 5.830 3.129 -2.730 1.00 0.00 C ATOM 681 CD LYS A 48 5.653 1.627 -2.677 1.00 0.00 C ATOM 682 CE LYS A 48 6.546 1.023 -1.619 1.00 0.00 C ATOM 683 NZ LYS A 48 6.642 -0.463 -1.746 1.00 0.00 N ATOM 0 H LYS A 48 2.288 2.471 -2.530 1.00 0.00 H new ATOM 0 HA LYS A 48 4.396 2.797 -0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.959 4.001 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.872 4.877 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.118 3.421 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.648 3.418 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.612 1.386 -2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.887 1.193 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.543 1.458 -1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.161 1.278 -0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.610 -0.895 -0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.846 -0.815 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.537 -0.715 -2.211 1.00 0.00 H new ATOM 697 N VAL A 49 3.142 4.604 0.668 1.00 0.00 N ATOM 698 CA VAL A 49 2.438 5.682 1.337 1.00 0.00 C ATOM 699 C VAL A 49 2.905 7.015 0.759 1.00 0.00 C ATOM 700 O VAL A 49 4.038 7.454 0.961 1.00 0.00 O ATOM 701 CB VAL A 49 2.591 5.644 2.895 1.00 0.00 C ATOM 702 CG1 VAL A 49 2.706 7.042 3.485 1.00 0.00 C ATOM 703 CG2 VAL A 49 1.392 4.954 3.518 1.00 0.00 C ATOM 0 H VAL A 49 3.839 4.127 1.240 1.00 0.00 H new ATOM 0 HA VAL A 49 1.372 5.555 1.151 1.00 0.00 H new ATOM 0 HB VAL A 49 3.506 5.094 3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.811 6.972 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.580 7.542 3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.810 7.614 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.507 4.932 4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.484 5.499 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.322 3.934 3.140 1.00 0.00 H new ATOM 713 N ALA A 50 2.036 7.609 -0.029 1.00 0.00 N ATOM 714 CA ALA A 50 2.303 8.891 -0.638 1.00 0.00 C ATOM 715 C ALA A 50 1.806 9.991 0.276 1.00 0.00 C ATOM 716 O ALA A 50 2.349 11.094 0.314 1.00 0.00 O ATOM 717 CB ALA A 50 1.597 8.952 -1.974 1.00 0.00 C ATOM 0 H ALA A 50 1.125 7.216 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 50 3.374 9.023 -0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.791 9.916 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.966 8.153 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.524 8.831 -1.824 1.00 0.00 H new ATOM 723 N ALA A 51 0.758 9.661 1.011 1.00 0.00 N ATOM 724 CA ALA A 51 0.137 10.573 1.941 1.00 0.00 C ATOM 725 C ALA A 51 -0.536 9.783 3.043 1.00 0.00 C ATOM 726 O ALA A 51 -0.672 8.565 2.924 1.00 0.00 O ATOM 727 CB ALA A 51 -0.894 11.406 1.216 1.00 0.00 C ATOM 0 H ALA A 51 0.314 8.743 0.975 1.00 0.00 H new ATOM 0 HA ALA A 51 0.894 11.228 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.364 12.095 1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.410 11.972 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.653 10.752 0.786 1.00 0.00 H new ATOM 733 N GLY A 52 -0.971 10.469 4.092 1.00 0.00 N ATOM 734 CA GLY A 52 -1.713 9.819 5.156 1.00 0.00 C ATOM 735 C GLY A 52 -0.938 8.705 5.825 1.00 0.00 C ATOM 736 O GLY A 52 0.288 8.641 5.719 1.00 0.00 O ATOM 0 H GLY A 52 -0.822 11.469 4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.989 10.562 5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.641 9.415 4.750 1.00 0.00 H new ATOM 740 N THR A 53 -1.642 7.824 6.524 1.00 0.00 N ATOM 741 CA THR A 53 -0.991 6.711 7.194 1.00 0.00 C ATOM 742 C THR A 53 -1.787 5.419 7.065 1.00 0.00 C ATOM 743 O THR A 53 -2.975 5.427 6.732 1.00 0.00 O ATOM 744 CB THR A 53 -0.766 7.001 8.684 1.00 0.00 C ATOM 745 OG1 THR A 53 -2.006 7.355 9.308 1.00 0.00 O ATOM 746 CG2 THR A 53 0.236 8.126 8.877 1.00 0.00 C ATOM 0 H THR A 53 -2.655 7.859 6.640 1.00 0.00 H new ATOM 0 HA THR A 53 -0.029 6.587 6.697 1.00 0.00 H new ATOM 0 HB THR A 53 -0.367 6.098 9.146 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.430 6.550 9.673 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.376 8.310 9.942 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.189 7.845 8.429 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.137 9.032 8.398 1.00 0.00 H new ATOM 754 N VAL A 54 -1.113 4.315 7.356 1.00 0.00 N ATOM 755 CA VAL A 54 -1.693 2.983 7.281 1.00 0.00 C ATOM 756 C VAL A 54 -1.179 2.145 8.454 1.00 0.00 C ATOM 757 O VAL A 54 -0.237 2.550 9.135 1.00 0.00 O ATOM 758 CB VAL A 54 -1.301 2.281 5.970 1.00 0.00 C ATOM 759 CG1 VAL A 54 -1.781 3.063 4.752 1.00 0.00 C ATOM 760 CG2 VAL A 54 0.204 2.081 5.929 1.00 0.00 C ATOM 0 H VAL A 54 -0.138 4.320 7.654 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.778 3.080 7.319 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.791 1.308 5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.487 2.538 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.867 3.154 4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.333 4.057 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.480 1.583 4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.701 3.049 5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.513 1.466 6.775 1.00 0.00 H new ATOM 770 N ASP A 55 -1.785 0.992 8.691 1.00 0.00 N ATOM 771 CA ASP A 55 -1.305 0.080 9.724 1.00 0.00 C ATOM 772 C ASP A 55 -0.718 -1.172 9.094 1.00 0.00 C ATOM 773 O ASP A 55 -1.439 -2.104 8.749 1.00 0.00 O ATOM 774 CB ASP A 55 -2.425 -0.298 10.693 1.00 0.00 C ATOM 775 CG ASP A 55 -1.906 -1.071 11.886 1.00 0.00 C ATOM 776 OD1 ASP A 55 -1.097 -0.509 12.651 1.00 0.00 O ATOM 777 OD2 ASP A 55 -2.316 -2.234 12.078 1.00 0.00 O ATOM 0 H ASP A 55 -2.608 0.664 8.185 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.526 0.594 10.287 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.927 0.606 11.037 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.170 -0.897 10.170 1.00 0.00 H new ATOM 782 N GLN A 56 0.596 -1.174 8.949 1.00 0.00 N ATOM 783 CA GLN A 56 1.318 -2.271 8.316 1.00 0.00 C ATOM 784 C GLN A 56 2.102 -3.049 9.361 1.00 0.00 C ATOM 785 O GLN A 56 3.317 -3.218 9.254 1.00 0.00 O ATOM 786 CB GLN A 56 2.247 -1.724 7.229 1.00 0.00 C ATOM 787 CG GLN A 56 2.838 -0.377 7.591 1.00 0.00 C ATOM 788 CD GLN A 56 4.172 -0.101 6.952 1.00 0.00 C ATOM 789 OE1 GLN A 56 4.124 0.556 5.819 1.00 0.00 O flip ATOM 790 NE2 GLN A 56 5.227 -0.440 7.487 1.00 0.00 N flip ATOM 0 H GLN A 56 1.197 -0.414 9.267 1.00 0.00 H new ATOM 0 HA GLN A 56 0.605 -2.951 7.849 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.054 -2.436 7.054 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.693 -1.634 6.294 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.138 0.406 7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.947 -0.319 8.674 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.210 -0.950 8.370 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.118 -0.211 7.048 1.00 0.00 H new ATOM 799 N SER A 57 1.391 -3.494 10.388 1.00 0.00 N ATOM 800 CA SER A 57 1.989 -4.271 11.464 1.00 0.00 C ATOM 801 C SER A 57 2.655 -5.534 10.917 1.00 0.00 C ATOM 802 O SER A 57 3.815 -5.816 11.218 1.00 0.00 O ATOM 803 CB SER A 57 0.926 -4.643 12.502 1.00 0.00 C ATOM 804 OG SER A 57 1.514 -5.237 13.648 1.00 0.00 O ATOM 0 H SER A 57 0.391 -3.328 10.498 1.00 0.00 H new ATOM 0 HA SER A 57 2.754 -3.660 11.943 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.372 -3.751 12.795 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.208 -5.333 12.060 1.00 0.00 H new ATOM 0 HG SER A 57 0.814 -5.463 14.295 1.00 0.00 H new ATOM 810 N ASP A 58 1.925 -6.282 10.099 1.00 0.00 N ATOM 811 CA ASP A 58 2.456 -7.508 9.514 1.00 0.00 C ATOM 812 C ASP A 58 3.093 -7.217 8.163 1.00 0.00 C ATOM 813 O ASP A 58 2.736 -7.818 7.147 1.00 0.00 O ATOM 814 CB ASP A 58 1.360 -8.565 9.363 1.00 0.00 C ATOM 815 CG ASP A 58 0.894 -9.131 10.690 1.00 0.00 C ATOM 816 OD1 ASP A 58 0.072 -8.478 11.369 1.00 0.00 O ATOM 817 OD2 ASP A 58 1.336 -10.242 11.060 1.00 0.00 O ATOM 0 H ASP A 58 0.967 -6.063 9.826 1.00 0.00 H new ATOM 0 HA ASP A 58 3.218 -7.900 10.188 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.509 -8.126 8.843 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.731 -9.378 8.738 1.00 0.00 H new ATOM 822 N GLN A 59 4.034 -6.285 8.164 1.00 0.00 N ATOM 823 CA GLN A 59 4.747 -5.907 6.956 1.00 0.00 C ATOM 824 C GLN A 59 5.655 -7.050 6.506 1.00 0.00 C ATOM 825 O GLN A 59 6.408 -7.608 7.302 1.00 0.00 O ATOM 826 CB GLN A 59 5.564 -4.643 7.215 1.00 0.00 C ATOM 827 CG GLN A 59 6.174 -4.039 5.967 1.00 0.00 C ATOM 828 CD GLN A 59 5.142 -3.509 4.994 1.00 0.00 C ATOM 829 OE1 GLN A 59 4.071 -3.072 5.387 1.00 0.00 O ATOM 830 NE2 GLN A 59 5.457 -3.545 3.708 1.00 0.00 N ATOM 0 H GLN A 59 4.323 -5.773 8.997 1.00 0.00 H new ATOM 0 HA GLN A 59 4.029 -5.704 6.162 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.924 -3.900 7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.361 -4.876 7.921 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.843 -3.228 6.254 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.782 -4.793 5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.360 -3.917 3.414 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.796 -3.201 3.011 1.00 0.00 H new ATOM 839 N SER A 60 5.593 -7.383 5.226 1.00 0.00 N ATOM 840 CA SER A 60 6.236 -8.590 4.725 1.00 0.00 C ATOM 841 C SER A 60 7.607 -8.333 4.094 1.00 0.00 C ATOM 842 O SER A 60 8.131 -9.202 3.397 1.00 0.00 O ATOM 843 CB SER A 60 5.319 -9.254 3.700 1.00 0.00 C ATOM 844 OG SER A 60 4.010 -9.396 4.218 1.00 0.00 O ATOM 0 H SER A 60 5.105 -6.837 4.516 1.00 0.00 H new ATOM 0 HA SER A 60 6.406 -9.241 5.582 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.292 -8.657 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.716 -10.232 3.429 1.00 0.00 H new ATOM 0 HG SER A 60 3.974 -10.179 4.806 1.00 0.00 H new ATOM 850 N PHE A 61 8.199 -7.161 4.333 1.00 0.00 N ATOM 851 CA PHE A 61 9.517 -6.868 3.765 1.00 0.00 C ATOM 852 C PHE A 61 10.099 -5.560 4.318 1.00 0.00 C ATOM 853 O PHE A 61 11.076 -5.591 5.067 1.00 0.00 O ATOM 854 CB PHE A 61 9.439 -6.838 2.228 1.00 0.00 C ATOM 855 CG PHE A 61 10.773 -6.822 1.518 1.00 0.00 C ATOM 856 CD1 PHE A 61 11.937 -7.242 2.145 1.00 0.00 C ATOM 857 CD2 PHE A 61 10.853 -6.381 0.208 1.00 0.00 C ATOM 858 CE1 PHE A 61 13.148 -7.215 1.478 1.00 0.00 C ATOM 859 CE2 PHE A 61 12.055 -6.348 -0.462 1.00 0.00 C ATOM 860 CZ PHE A 61 13.207 -6.763 0.174 1.00 0.00 C ATOM 0 H PHE A 61 7.799 -6.415 4.902 1.00 0.00 H new ATOM 0 HA PHE A 61 10.196 -7.667 4.063 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.876 -7.709 1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.874 -5.957 1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 61 11.897 -7.594 3.165 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.955 -6.057 -0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 61 14.047 -7.547 1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.096 -5.998 -1.483 1.00 0.00 H new ATOM 0 HZ PHE A 61 14.153 -6.735 -0.347 1.00 0.00 H new ATOM 870 N LEU A 62 9.508 -4.413 3.964 1.00 0.00 N ATOM 871 CA LEU A 62 10.043 -3.121 4.413 1.00 0.00 C ATOM 872 C LEU A 62 9.923 -2.952 5.930 1.00 0.00 C ATOM 873 O LEU A 62 9.280 -3.752 6.610 1.00 0.00 O ATOM 874 CB LEU A 62 9.388 -1.952 3.702 1.00 0.00 C ATOM 875 CG LEU A 62 7.888 -1.861 3.767 1.00 0.00 C ATOM 876 CD1 LEU A 62 7.438 -0.978 4.921 1.00 0.00 C ATOM 877 CD2 LEU A 62 7.409 -1.334 2.446 1.00 0.00 C ATOM 0 H LEU A 62 8.675 -4.351 3.379 1.00 0.00 H new ATOM 0 HA LEU A 62 11.101 -3.123 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.800 -1.031 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.679 -1.989 2.652 1.00 0.00 H new ATOM 0 HG LEU A 62 7.456 -2.844 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.349 -0.932 4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.801 -1.394 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.841 0.026 4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.322 -1.255 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.842 -0.350 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.714 -2.014 1.651 1.00 0.00 H new ATOM 889 N ASP A 63 10.540 -1.900 6.447 1.00 0.00 N ATOM 890 CA ASP A 63 10.530 -1.626 7.880 1.00 0.00 C ATOM 891 C ASP A 63 9.654 -0.419 8.192 1.00 0.00 C ATOM 892 O ASP A 63 9.160 0.236 7.275 1.00 0.00 O ATOM 893 CB ASP A 63 11.944 -1.368 8.388 1.00 0.00 C ATOM 894 CG ASP A 63 12.880 -2.538 8.182 1.00 0.00 C ATOM 895 OD1 ASP A 63 12.947 -3.415 9.069 1.00 0.00 O ATOM 896 OD2 ASP A 63 13.561 -2.584 7.138 1.00 0.00 O ATOM 0 H ASP A 63 11.057 -1.217 5.893 1.00 0.00 H new ATOM 0 HA ASP A 63 10.123 -2.503 8.383 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.350 -0.493 7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.902 -1.129 9.451 1.00 0.00 H new ATOM 901 N ASP A 64 9.483 -0.102 9.471 1.00 0.00 N ATOM 902 CA ASP A 64 8.691 1.066 9.862 1.00 0.00 C ATOM 903 C ASP A 64 9.340 2.337 9.327 1.00 0.00 C ATOM 904 O ASP A 64 8.658 3.301 8.967 1.00 0.00 O ATOM 905 CB ASP A 64 8.553 1.155 11.380 1.00 0.00 C ATOM 906 CG ASP A 64 7.639 2.289 11.807 1.00 0.00 C ATOM 907 OD1 ASP A 64 6.446 2.270 11.440 1.00 0.00 O ATOM 908 OD2 ASP A 64 8.104 3.201 12.521 1.00 0.00 O ATOM 0 H ASP A 64 9.877 -0.630 10.250 1.00 0.00 H new ATOM 0 HA ASP A 64 7.694 0.958 9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.163 0.212 11.764 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.538 1.297 11.825 1.00 0.00 H new ATOM 913 N ALA A 65 10.665 2.306 9.250 1.00 0.00 N ATOM 914 CA ALA A 65 11.442 3.389 8.665 1.00 0.00 C ATOM 915 C ALA A 65 10.980 3.657 7.248 1.00 0.00 C ATOM 916 O ALA A 65 10.809 4.801 6.828 1.00 0.00 O ATOM 917 CB ALA A 65 12.912 3.009 8.648 1.00 0.00 C ATOM 0 H ALA A 65 11.230 1.529 9.592 1.00 0.00 H new ATOM 0 HA ALA A 65 11.300 4.288 9.265 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.493 3.821 8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.253 2.828 9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.047 2.105 8.055 1.00 0.00 H new ATOM 923 N GLN A 66 10.754 2.576 6.531 1.00 0.00 N ATOM 924 CA GLN A 66 10.322 2.640 5.158 1.00 0.00 C ATOM 925 C GLN A 66 8.932 3.241 5.048 1.00 0.00 C ATOM 926 O GLN A 66 8.641 3.931 4.085 1.00 0.00 O ATOM 927 CB GLN A 66 10.354 1.244 4.572 1.00 0.00 C ATOM 928 CG GLN A 66 11.739 0.638 4.610 1.00 0.00 C ATOM 929 CD GLN A 66 12.634 1.209 3.541 1.00 0.00 C ATOM 930 OE1 GLN A 66 13.278 2.241 3.724 1.00 0.00 O ATOM 931 NE2 GLN A 66 12.695 0.511 2.431 1.00 0.00 N ATOM 0 H GLN A 66 10.866 1.627 6.889 1.00 0.00 H new ATOM 0 HA GLN A 66 10.997 3.287 4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.665 0.605 5.124 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.002 1.277 3.541 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.185 0.814 5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.666 -0.442 4.483 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.139 -0.338 2.332 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.298 0.818 1.668 1.00 0.00 H new ATOM 940 N MET A 67 8.077 2.994 6.034 1.00 0.00 N ATOM 941 CA MET A 67 6.754 3.591 6.036 1.00 0.00 C ATOM 942 C MET A 67 6.860 5.101 6.212 1.00 0.00 C ATOM 943 O MET A 67 6.081 5.855 5.632 1.00 0.00 O ATOM 944 CB MET A 67 5.877 2.999 7.133 1.00 0.00 C ATOM 945 CG MET A 67 4.495 3.618 7.159 1.00 0.00 C ATOM 946 SD MET A 67 3.550 3.171 8.626 1.00 0.00 S ATOM 947 CE MET A 67 2.272 4.425 8.588 1.00 0.00 C ATOM 0 H MET A 67 8.276 2.391 6.832 1.00 0.00 H new ATOM 0 HA MET A 67 6.287 3.371 5.076 1.00 0.00 H new ATOM 0 HB2 MET A 67 5.788 1.923 6.983 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.358 3.148 8.100 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.588 4.703 7.110 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.946 3.305 6.271 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.532 4.214 9.360 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.717 5.403 8.770 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.788 4.422 7.611 1.00 0.00 H new ATOM 957 N GLY A 68 7.837 5.535 7.003 1.00 0.00 N ATOM 958 CA GLY A 68 8.111 6.954 7.130 1.00 0.00 C ATOM 959 C GLY A 68 8.630 7.517 5.826 1.00 0.00 C ATOM 960 O GLY A 68 8.356 8.663 5.470 1.00 0.00 O ATOM 0 H GLY A 68 8.443 4.930 7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.202 7.480 7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.844 7.119 7.920 1.00 0.00 H new ATOM 964 N ASN A 69 9.374 6.684 5.109 1.00 0.00 N ATOM 965 CA ASN A 69 9.843 7.006 3.770 1.00 0.00 C ATOM 966 C ASN A 69 8.691 6.971 2.772 1.00 0.00 C ATOM 967 O ASN A 69 8.794 7.491 1.663 1.00 0.00 O ATOM 968 CB ASN A 69 10.913 6.002 3.351 1.00 0.00 C ATOM 969 CG ASN A 69 12.282 6.329 3.912 1.00 0.00 C ATOM 970 OD1 ASN A 69 12.612 7.493 4.142 1.00 0.00 O ATOM 971 ND2 ASN A 69 13.090 5.303 4.133 1.00 0.00 N ATOM 0 H ASN A 69 9.669 5.766 5.441 1.00 0.00 H new ATOM 0 HA ASN A 69 10.263 8.012 3.780 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.619 5.006 3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.970 5.972 2.263 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.025 5.462 4.508 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.777 4.354 3.929 1.00 0.00 H new ATOM 978 N GLY A 70 7.602 6.344 3.182 1.00 0.00 N ATOM 979 CA GLY A 70 6.414 6.274 2.357 1.00 0.00 C ATOM 980 C GLY A 70 6.264 4.937 1.661 1.00 0.00 C ATOM 981 O GLY A 70 5.763 4.867 0.545 1.00 0.00 O ATOM 0 H GLY A 70 7.518 5.876 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.536 6.458 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.449 7.066 1.609 1.00 0.00 H new ATOM 985 N PHE A 71 6.723 3.871 2.300 1.00 0.00 N ATOM 986 CA PHE A 71 6.649 2.535 1.717 1.00 0.00 C ATOM 987 C PHE A 71 5.887 1.604 2.647 1.00 0.00 C ATOM 988 O PHE A 71 6.155 1.557 3.844 1.00 0.00 O ATOM 989 CB PHE A 71 8.067 2.007 1.414 1.00 0.00 C ATOM 990 CG PHE A 71 8.907 3.005 0.669 1.00 0.00 C ATOM 991 CD1 PHE A 71 8.333 3.767 -0.321 1.00 0.00 C ATOM 992 CD2 PHE A 71 10.246 3.196 0.963 1.00 0.00 C ATOM 993 CE1 PHE A 71 9.057 4.698 -1.020 1.00 0.00 C ATOM 994 CE2 PHE A 71 10.990 4.131 0.266 1.00 0.00 C ATOM 995 CZ PHE A 71 10.395 4.883 -0.730 1.00 0.00 C ATOM 0 H PHE A 71 7.152 3.903 3.225 1.00 0.00 H new ATOM 0 HA PHE A 71 6.106 2.580 0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.562 1.747 2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.992 1.091 0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.287 3.629 -0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.713 2.611 1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.584 5.284 -1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.035 4.273 0.500 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.973 5.612 -1.279 1.00 0.00 H new ATOM 1005 N VAL A 72 4.917 0.879 2.090 1.00 0.00 N ATOM 1006 CA VAL A 72 3.929 0.159 2.889 1.00 0.00 C ATOM 1007 C VAL A 72 3.517 -1.159 2.211 1.00 0.00 C ATOM 1008 O VAL A 72 4.049 -1.510 1.165 1.00 0.00 O ATOM 1009 CB VAL A 72 2.690 1.060 3.112 1.00 0.00 C ATOM 1010 CG1 VAL A 72 3.103 2.370 3.747 1.00 0.00 C ATOM 1011 CG2 VAL A 72 1.985 1.317 1.786 1.00 0.00 C ATOM 0 H VAL A 72 4.795 0.775 1.083 1.00 0.00 H new ATOM 0 HA VAL A 72 4.376 -0.090 3.852 1.00 0.00 H new ATOM 0 HB VAL A 72 2.000 0.549 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.223 2.994 3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.579 2.174 4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.806 2.886 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.115 1.952 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.670 1.815 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.665 0.369 1.354 1.00 0.00 H new ATOM 1021 N LEU A 73 2.615 -1.910 2.840 1.00 0.00 N ATOM 1022 CA LEU A 73 2.121 -3.176 2.285 1.00 0.00 C ATOM 1023 C LEU A 73 0.622 -3.098 2.038 1.00 0.00 C ATOM 1024 O LEU A 73 -0.107 -2.534 2.837 1.00 0.00 O ATOM 1025 CB LEU A 73 2.413 -4.340 3.232 1.00 0.00 C ATOM 1026 CG LEU A 73 2.010 -5.724 2.718 1.00 0.00 C ATOM 1027 CD1 LEU A 73 2.823 -6.104 1.488 1.00 0.00 C ATOM 1028 CD2 LEU A 73 2.181 -6.762 3.812 1.00 0.00 C ATOM 0 H LEU A 73 2.207 -1.664 3.742 1.00 0.00 H new ATOM 0 HA LEU A 73 2.638 -3.348 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.481 -4.349 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.897 -4.157 4.175 1.00 0.00 H new ATOM 0 HG LEU A 73 0.959 -5.690 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.518 -7.092 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.651 -5.373 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.883 -6.120 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.891 -7.742 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.224 -6.790 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.551 -6.501 4.663 1.00 0.00 H new ATOM 1040 N THR A 74 0.164 -3.620 0.913 1.00 0.00 N ATOM 1041 CA THR A 74 -1.257 -3.597 0.608 1.00 0.00 C ATOM 1042 C THR A 74 -1.973 -4.856 1.122 1.00 0.00 C ATOM 1043 O THR A 74 -3.158 -4.807 1.457 1.00 0.00 O ATOM 1044 CB THR A 74 -1.492 -3.457 -0.904 1.00 0.00 C ATOM 1045 OG1 THR A 74 -0.607 -2.465 -1.437 1.00 0.00 O ATOM 1046 CG2 THR A 74 -2.928 -3.057 -1.190 1.00 0.00 C ATOM 0 H THR A 74 0.748 -4.061 0.202 1.00 0.00 H new ATOM 0 HA THR A 74 -1.675 -2.730 1.120 1.00 0.00 H new ATOM 0 HB THR A 74 -1.297 -4.420 -1.376 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.131 -2.905 -1.908 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.072 -2.964 -2.266 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.603 -3.818 -0.798 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.142 -2.102 -0.711 1.00 0.00 H new ATOM 1054 N CYS A 75 -1.254 -5.978 1.191 1.00 0.00 N ATOM 1055 CA CYS A 75 -1.861 -7.245 1.602 1.00 0.00 C ATOM 1056 C CYS A 75 -2.245 -7.264 3.079 1.00 0.00 C ATOM 1057 O CYS A 75 -3.360 -7.652 3.423 1.00 0.00 O ATOM 1058 CB CYS A 75 -0.942 -8.428 1.280 1.00 0.00 C ATOM 1059 SG CYS A 75 -1.365 -9.280 -0.260 1.00 0.00 S ATOM 0 H CYS A 75 -0.260 -6.036 0.970 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.782 -7.343 1.027 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.086 -8.071 1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.982 -9.142 2.103 1.00 0.00 H new ATOM 1064 N VAL A 76 -1.340 -6.855 3.956 1.00 0.00 N ATOM 1065 CA VAL A 76 -1.627 -6.897 5.385 1.00 0.00 C ATOM 1066 C VAL A 76 -1.452 -5.522 6.012 1.00 0.00 C ATOM 1067 O VAL A 76 -0.719 -5.354 6.987 1.00 0.00 O ATOM 1068 CB VAL A 76 -0.738 -7.914 6.135 1.00 0.00 C ATOM 1069 CG1 VAL A 76 -1.437 -8.394 7.399 1.00 0.00 C ATOM 1070 CG2 VAL A 76 -0.368 -9.091 5.245 1.00 0.00 C ATOM 0 H VAL A 76 -0.417 -6.496 3.712 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.664 -7.218 5.481 1.00 0.00 H new ATOM 0 HB VAL A 76 0.187 -7.410 6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.800 -9.110 7.918 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.633 -7.543 8.052 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.380 -8.873 7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.258 -9.787 5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.275 -9.600 4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.179 -8.731 4.374 1.00 0.00 H new ATOM 1080 N ALA A 77 -2.112 -4.535 5.431 1.00 0.00 N ATOM 1081 CA ALA A 77 -2.094 -3.186 5.965 1.00 0.00 C ATOM 1082 C ALA A 77 -3.298 -2.410 5.471 1.00 0.00 C ATOM 1083 O ALA A 77 -3.789 -2.644 4.364 1.00 0.00 O ATOM 1084 CB ALA A 77 -0.814 -2.465 5.588 1.00 0.00 C ATOM 0 H ALA A 77 -2.670 -4.645 4.584 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.137 -3.253 7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.829 -1.457 6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.041 -3.009 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.733 -2.410 4.502 1.00 0.00 H new ATOM 1090 N TYR A 78 -3.780 -1.505 6.297 1.00 0.00 N ATOM 1091 CA TYR A 78 -4.889 -0.650 5.931 1.00 0.00 C ATOM 1092 C TYR A 78 -4.712 0.742 6.496 1.00 0.00 C ATOM 1093 O TYR A 78 -3.986 0.928 7.456 1.00 0.00 O ATOM 1094 CB TYR A 78 -6.206 -1.234 6.412 1.00 0.00 C ATOM 1095 CG TYR A 78 -6.165 -1.852 7.790 1.00 0.00 C ATOM 1096 CD1 TYR A 78 -6.100 -1.063 8.925 1.00 0.00 C ATOM 1097 CD2 TYR A 78 -6.197 -3.229 7.948 1.00 0.00 C ATOM 1098 CE1 TYR A 78 -6.061 -1.631 10.183 1.00 0.00 C ATOM 1099 CE2 TYR A 78 -6.168 -3.805 9.200 1.00 0.00 C ATOM 1100 CZ TYR A 78 -6.098 -3.002 10.316 1.00 0.00 C ATOM 1101 OH TYR A 78 -6.051 -3.576 11.568 1.00 0.00 O ATOM 0 H TYR A 78 -3.416 -1.342 7.236 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.908 -0.587 4.843 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.959 -0.446 6.406 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.532 -1.992 5.700 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.079 0.012 8.825 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.246 -3.862 7.074 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.002 -1.003 11.060 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.200 -4.879 9.305 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.088 -4.552 11.482 1.00 0.00 H new ATOM 1111 N PRO A 79 -5.393 1.732 5.913 1.00 0.00 N ATOM 1112 CA PRO A 79 -5.259 3.129 6.312 1.00 0.00 C ATOM 1113 C PRO A 79 -5.697 3.360 7.743 1.00 0.00 C ATOM 1114 O PRO A 79 -6.793 2.974 8.140 1.00 0.00 O ATOM 1115 CB PRO A 79 -6.191 3.869 5.352 1.00 0.00 C ATOM 1116 CG PRO A 79 -7.162 2.838 4.915 1.00 0.00 C ATOM 1117 CD PRO A 79 -6.375 1.572 4.836 1.00 0.00 C ATOM 0 HA PRO A 79 -4.223 3.465 6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.691 4.702 5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.643 4.283 4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.986 2.747 5.623 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.599 3.092 3.949 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.004 0.695 4.989 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.894 1.454 3.865 1.00 0.00 H new ATOM 1125 N THR A 80 -4.824 3.963 8.521 1.00 0.00 N ATOM 1126 CA THR A 80 -5.192 4.421 9.847 1.00 0.00 C ATOM 1127 C THR A 80 -5.747 5.835 9.756 1.00 0.00 C ATOM 1128 O THR A 80 -6.237 6.400 10.733 1.00 0.00 O ATOM 1129 CB THR A 80 -3.993 4.378 10.809 1.00 0.00 C ATOM 1130 OG1 THR A 80 -2.826 4.910 10.165 1.00 0.00 O ATOM 1131 CG2 THR A 80 -3.722 2.956 11.263 1.00 0.00 C ATOM 0 H THR A 80 -3.855 4.148 8.260 1.00 0.00 H new ATOM 0 HA THR A 80 -5.956 3.753 10.245 1.00 0.00 H new ATOM 0 HB THR A 80 -4.232 4.985 11.682 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.068 4.880 10.785 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.870 2.947 11.943 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.600 2.564 11.777 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.501 2.333 10.396 1.00 0.00 H new ATOM 1139 N SER A 81 -5.647 6.400 8.562 1.00 0.00 N ATOM 1140 CA SER A 81 -6.251 7.686 8.254 1.00 0.00 C ATOM 1141 C SER A 81 -6.506 7.776 6.760 1.00 0.00 C ATOM 1142 O SER A 81 -6.147 6.868 6.008 1.00 0.00 O ATOM 1143 CB SER A 81 -5.343 8.835 8.664 1.00 0.00 C ATOM 1144 OG SER A 81 -4.916 8.713 10.013 1.00 0.00 O ATOM 0 H SER A 81 -5.145 5.979 7.780 1.00 0.00 H new ATOM 0 HA SER A 81 -7.185 7.763 8.810 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.473 8.863 8.008 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.871 9.780 8.534 1.00 0.00 H new ATOM 0 HG SER A 81 -4.031 8.293 10.039 1.00 0.00 H new ATOM 1150 N ASP A 82 -7.113 8.867 6.334 1.00 0.00 N ATOM 1151 CA ASP A 82 -7.338 9.105 4.928 1.00 0.00 C ATOM 1152 C ASP A 82 -6.003 9.452 4.285 1.00 0.00 C ATOM 1153 O ASP A 82 -5.253 10.278 4.804 1.00 0.00 O ATOM 1154 CB ASP A 82 -8.363 10.227 4.730 1.00 0.00 C ATOM 1155 CG ASP A 82 -7.893 11.578 5.231 1.00 0.00 C ATOM 1156 OD1 ASP A 82 -8.051 11.861 6.438 1.00 0.00 O ATOM 1157 OD2 ASP A 82 -7.382 12.375 4.420 1.00 0.00 O ATOM 0 H ASP A 82 -7.459 9.604 6.948 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.747 8.213 4.454 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.602 10.306 3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.285 9.959 5.245 1.00 0.00 H new ATOM 1162 N CYS A 83 -5.683 8.801 3.186 1.00 0.00 N ATOM 1163 CA CYS A 83 -4.336 8.875 2.649 1.00 0.00 C ATOM 1164 C CYS A 83 -4.316 8.761 1.139 1.00 0.00 C ATOM 1165 O CYS A 83 -5.351 8.699 0.484 1.00 0.00 O ATOM 1166 CB CYS A 83 -3.505 7.758 3.279 1.00 0.00 C ATOM 1167 SG CYS A 83 -4.180 6.101 3.045 1.00 0.00 S ATOM 0 H CYS A 83 -6.328 8.220 2.650 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.914 9.850 2.893 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.499 7.790 2.860 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.411 7.951 4.348 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.400 5.230 3.614 1.00 0.00 H new ATOM 1173 N THR A 84 -3.114 8.770 0.607 1.00 0.00 N ATOM 1174 CA THR A 84 -2.874 8.569 -0.801 1.00 0.00 C ATOM 1175 C THR A 84 -1.797 7.528 -0.949 1.00 0.00 C ATOM 1176 O THR A 84 -0.675 7.740 -0.502 1.00 0.00 O ATOM 1177 CB THR A 84 -2.400 9.852 -1.485 1.00 0.00 C ATOM 1178 OG1 THR A 84 -3.465 10.806 -1.537 1.00 0.00 O ATOM 1179 CG2 THR A 84 -1.880 9.544 -2.884 1.00 0.00 C ATOM 0 H THR A 84 -2.264 8.920 1.151 1.00 0.00 H new ATOM 0 HA THR A 84 -3.808 8.257 -1.269 1.00 0.00 H new ATOM 0 HB THR A 84 -1.583 10.281 -0.904 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.150 11.624 -1.975 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.546 10.466 -3.359 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.044 8.847 -2.816 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.677 9.098 -3.478 1.00 0.00 H new ATOM 1187 N ILE A 85 -2.115 6.412 -1.562 1.00 0.00 N ATOM 1188 CA ILE A 85 -1.204 5.295 -1.546 1.00 0.00 C ATOM 1189 C ILE A 85 -0.894 4.814 -2.949 1.00 0.00 C ATOM 1190 O ILE A 85 -1.763 4.382 -3.688 1.00 0.00 O ATOM 1191 CB ILE A 85 -1.734 4.120 -0.699 1.00 0.00 C ATOM 1192 CG1 ILE A 85 -2.034 4.558 0.751 1.00 0.00 C ATOM 1193 CG2 ILE A 85 -0.730 2.977 -0.716 1.00 0.00 C ATOM 1194 CD1 ILE A 85 -1.046 5.536 1.341 1.00 0.00 C ATOM 0 H ILE A 85 -2.985 6.255 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.286 5.657 -1.084 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.672 3.779 -1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.027 5.006 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.065 3.671 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.110 2.150 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.578 2.641 -1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.218 3.320 -0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.343 5.782 2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.052 5.088 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.029 6.444 0.739 1.00 0.00 H new ATOM 1206 N GLN A 86 0.360 4.911 -3.292 1.00 0.00 N ATOM 1207 CA GLN A 86 0.878 4.433 -4.553 1.00 0.00 C ATOM 1208 C GLN A 86 0.831 2.910 -4.573 1.00 0.00 C ATOM 1209 O GLN A 86 1.000 2.274 -3.544 1.00 0.00 O ATOM 1210 CB GLN A 86 2.304 4.925 -4.642 1.00 0.00 C ATOM 1211 CG GLN A 86 2.516 6.091 -5.581 1.00 0.00 C ATOM 1212 CD GLN A 86 3.691 6.959 -5.157 1.00 0.00 C ATOM 1213 OE1 GLN A 86 4.708 6.348 -4.556 1.00 0.00 O flip ATOM 1214 NE2 GLN A 86 3.690 8.165 -5.375 1.00 0.00 N flip ATOM 0 H GLN A 86 1.070 5.333 -2.693 1.00 0.00 H new ATOM 0 HA GLN A 86 0.293 4.795 -5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.636 5.215 -3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.939 4.099 -4.962 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.688 5.717 -6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.611 6.698 -5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.892 8.599 -5.839 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.488 8.735 -5.093 1.00 0.00 H new ATOM 1223 N THR A 87 0.596 2.323 -5.729 1.00 0.00 N ATOM 1224 CA THR A 87 0.402 0.881 -5.803 1.00 0.00 C ATOM 1225 C THR A 87 1.672 0.106 -6.170 1.00 0.00 C ATOM 1226 O THR A 87 2.350 -0.451 -5.315 1.00 0.00 O ATOM 1227 CB THR A 87 -0.696 0.548 -6.826 1.00 0.00 C ATOM 1228 OG1 THR A 87 -0.405 1.191 -8.075 1.00 0.00 O ATOM 1229 CG2 THR A 87 -2.046 1.009 -6.328 1.00 0.00 C ATOM 0 H THR A 87 0.534 2.811 -6.623 1.00 0.00 H new ATOM 0 HA THR A 87 0.111 0.567 -4.800 1.00 0.00 H new ATOM 0 HB THR A 87 -0.722 -0.533 -6.965 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.118 0.520 -8.729 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.809 0.764 -7.067 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.277 0.509 -5.388 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.027 2.087 -6.170 1.00 0.00 H new ATOM 1237 N HIS A 88 1.988 0.112 -7.452 1.00 0.00 N ATOM 1238 CA HIS A 88 2.965 -0.811 -8.047 1.00 0.00 C ATOM 1239 C HIS A 88 4.423 -0.410 -7.829 1.00 0.00 C ATOM 1240 O HIS A 88 5.309 -0.904 -8.520 1.00 0.00 O ATOM 1241 CB HIS A 88 2.702 -0.911 -9.544 1.00 0.00 C ATOM 1242 CG HIS A 88 1.469 -1.682 -9.900 1.00 0.00 C ATOM 1243 ND1 HIS A 88 0.198 -1.294 -9.523 1.00 0.00 N ATOM 1244 CD2 HIS A 88 1.317 -2.830 -10.596 1.00 0.00 C ATOM 1245 CE1 HIS A 88 -0.675 -2.176 -9.969 1.00 0.00 C ATOM 1246 NE2 HIS A 88 -0.025 -3.117 -10.624 1.00 0.00 N ATOM 0 H HIS A 88 1.576 0.759 -8.124 1.00 0.00 H new ATOM 0 HA HIS A 88 2.829 -1.767 -7.542 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.619 0.095 -9.955 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.562 -1.381 -10.022 1.00 0.00 H new ATOM 0 HD2 HIS A 88 2.106 -3.414 -11.047 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.744 -2.134 -9.822 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.450 -3.926 -11.077 1.00 0.00 H new ATOM 1255 N GLN A 89 4.680 0.473 -6.886 1.00 0.00 N ATOM 1256 CA GLN A 89 6.030 1.006 -6.700 1.00 0.00 C ATOM 1257 C GLN A 89 6.843 0.209 -5.677 1.00 0.00 C ATOM 1258 O GLN A 89 7.604 0.795 -4.916 1.00 0.00 O ATOM 1259 CB GLN A 89 5.988 2.471 -6.274 1.00 0.00 C ATOM 1260 CG GLN A 89 4.609 3.082 -6.349 1.00 0.00 C ATOM 1261 CD GLN A 89 4.179 3.392 -7.766 1.00 0.00 C ATOM 1262 OE1 GLN A 89 4.996 3.701 -8.631 1.00 0.00 O ATOM 1263 NE2 GLN A 89 2.889 3.283 -8.010 1.00 0.00 N ATOM 0 H GLN A 89 3.984 0.840 -6.237 1.00 0.00 H new ATOM 0 HA GLN A 89 6.524 0.918 -7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.358 2.555 -5.252 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.666 3.044 -6.907 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.889 2.399 -5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.591 3.999 -5.760 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.248 3.024 -7.260 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.531 3.458 -8.949 1.00 0.00 H new ATOM 1272 N GLU A 90 6.663 -1.109 -5.633 1.00 0.00 N ATOM 1273 CA GLU A 90 7.405 -1.961 -4.691 1.00 0.00 C ATOM 1274 C GLU A 90 8.904 -1.658 -4.701 1.00 0.00 C ATOM 1275 O GLU A 90 9.552 -1.642 -3.649 1.00 0.00 O ATOM 1276 CB GLU A 90 7.195 -3.434 -5.011 1.00 0.00 C ATOM 1277 CG GLU A 90 8.210 -4.355 -4.337 1.00 0.00 C ATOM 1278 CD GLU A 90 8.224 -4.266 -2.813 1.00 0.00 C ATOM 1279 OE1 GLU A 90 7.726 -3.259 -2.244 1.00 0.00 O ATOM 1280 OE2 GLU A 90 8.753 -5.207 -2.182 1.00 0.00 O ATOM 0 H GLU A 90 6.013 -1.615 -6.235 1.00 0.00 H new ATOM 0 HA GLU A 90 7.014 -1.740 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.191 -3.725 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.250 -3.574 -6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.998 -5.384 -4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.205 -4.116 -4.712 1.00 0.00 H new ATOM 1287 N GLU A 91 9.429 -1.377 -5.886 1.00 0.00 N ATOM 1288 CA GLU A 91 10.845 -1.081 -6.077 1.00 0.00 C ATOM 1289 C GLU A 91 11.324 -0.037 -5.067 1.00 0.00 C ATOM 1290 O GLU A 91 12.498 -0.003 -4.702 1.00 0.00 O ATOM 1291 CB GLU A 91 11.093 -0.606 -7.510 1.00 0.00 C ATOM 1292 CG GLU A 91 12.547 -0.281 -7.808 1.00 0.00 C ATOM 1293 CD GLU A 91 12.801 -0.057 -9.282 1.00 0.00 C ATOM 1294 OE1 GLU A 91 12.321 0.951 -9.833 1.00 0.00 O ATOM 1295 OE2 GLU A 91 13.493 -0.891 -9.900 1.00 0.00 O ATOM 0 H GLU A 91 8.883 -1.347 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 91 11.417 -1.994 -5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.754 -1.377 -8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.487 0.280 -7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.837 0.611 -7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.178 -1.096 -7.454 1.00 0.00 H new ATOM 1302 N ALA A 92 10.394 0.806 -4.633 1.00 0.00 N ATOM 1303 CA ALA A 92 10.668 1.864 -3.674 1.00 0.00 C ATOM 1304 C ALA A 92 11.342 1.332 -2.405 1.00 0.00 C ATOM 1305 O ALA A 92 12.359 1.869 -1.962 1.00 0.00 O ATOM 1306 CB ALA A 92 9.373 2.546 -3.316 1.00 0.00 C ATOM 0 H ALA A 92 9.422 0.772 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 92 11.358 2.570 -4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.567 3.342 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.925 2.970 -4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.689 1.820 -2.877 1.00 0.00 H new ATOM 1312 N LEU A 93 10.768 0.281 -1.817 1.00 0.00 N ATOM 1313 CA LEU A 93 11.348 -0.342 -0.630 1.00 0.00 C ATOM 1314 C LEU A 93 12.613 -1.091 -1.033 1.00 0.00 C ATOM 1315 O LEU A 93 13.627 -1.046 -0.339 1.00 0.00 O ATOM 1316 CB LEU A 93 10.332 -1.305 0.033 1.00 0.00 C ATOM 1317 CG LEU A 93 10.788 -2.743 0.265 1.00 0.00 C ATOM 1318 CD1 LEU A 93 11.817 -2.846 1.390 1.00 0.00 C ATOM 1319 CD2 LEU A 93 9.577 -3.603 0.564 1.00 0.00 C ATOM 0 H LEU A 93 9.905 -0.154 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 93 11.599 0.429 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.043 -0.882 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.435 -1.330 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 93 11.280 -3.099 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.112 -3.887 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.693 -2.249 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.381 -2.475 2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.894 -4.632 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.076 -3.228 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.888 -3.568 -0.280 1.00 0.00 H new ATOM 1331 N TYR A 94 12.536 -1.757 -2.178 1.00 0.00 N ATOM 1332 CA TYR A 94 13.587 -2.670 -2.605 1.00 0.00 C ATOM 1333 C TYR A 94 14.906 -1.941 -2.868 1.00 0.00 C ATOM 1334 O TYR A 94 15.911 -2.208 -2.206 1.00 0.00 O ATOM 1335 CB TYR A 94 13.137 -3.451 -3.842 1.00 0.00 C ATOM 1336 CG TYR A 94 14.078 -4.572 -4.235 1.00 0.00 C ATOM 1337 CD1 TYR A 94 14.501 -5.509 -3.299 1.00 0.00 C ATOM 1338 CD2 TYR A 94 14.542 -4.691 -5.536 1.00 0.00 C ATOM 1339 CE1 TYR A 94 15.364 -6.528 -3.650 1.00 0.00 C ATOM 1340 CE2 TYR A 94 15.402 -5.709 -5.896 1.00 0.00 C ATOM 1341 CZ TYR A 94 15.812 -6.624 -4.950 1.00 0.00 C ATOM 1342 OH TYR A 94 16.679 -7.632 -5.304 1.00 0.00 O ATOM 0 H TYR A 94 11.754 -1.681 -2.829 1.00 0.00 H new ATOM 0 HA TYR A 94 13.769 -3.372 -1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 94 12.147 -3.869 -3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 94 13.039 -2.761 -4.680 1.00 0.00 H new ATOM 0 HD1 TYR A 94 14.149 -5.439 -2.281 1.00 0.00 H new ATOM 0 HD2 TYR A 94 14.225 -3.975 -6.280 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.686 -7.246 -2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.752 -5.788 -6.915 1.00 0.00 H new ATOM 0 HH TYR A 94 16.896 -7.557 -6.257 1.00 0.00 H new ATOM 1352 N GLU A 95 14.900 -1.020 -3.818 1.00 0.00 N ATOM 1353 CA GLU A 95 16.114 -0.299 -4.191 1.00 0.00 C ATOM 1354 C GLU A 95 15.870 1.207 -4.249 1.00 0.00 C ATOM 1355 O GLU A 95 16.170 1.937 -3.305 1.00 0.00 O ATOM 1356 CB GLU A 95 16.624 -0.773 -5.556 1.00 0.00 C ATOM 1357 CG GLU A 95 16.804 -2.274 -5.659 1.00 0.00 C ATOM 1358 CD GLU A 95 17.231 -2.715 -7.043 1.00 0.00 C ATOM 1359 OE1 GLU A 95 16.396 -2.669 -7.968 1.00 0.00 O ATOM 1360 OE2 GLU A 95 18.402 -3.107 -7.216 1.00 0.00 O ATOM 0 H GLU A 95 14.070 -0.752 -4.347 1.00 0.00 H new ATOM 0 HA GLU A 95 16.862 -0.507 -3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.925 -0.447 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 95 17.577 -0.288 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 95 17.549 -2.598 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.868 -2.767 -5.397 1.00 0.00 H new ATOM 1367 N ASN A 96 15.297 1.648 -5.362 1.00 0.00 N ATOM 1368 CA ASN A 96 15.063 3.054 -5.632 1.00 0.00 C ATOM 1369 C ASN A 96 13.880 3.176 -6.557 1.00 0.00 C ATOM 1370 O ASN A 96 13.938 2.733 -7.703 1.00 0.00 O ATOM 1371 CB ASN A 96 16.275 3.724 -6.293 1.00 0.00 C ATOM 1372 CG ASN A 96 17.364 4.096 -5.306 1.00 0.00 C ATOM 1373 OD1 ASN A 96 18.303 3.334 -5.079 1.00 0.00 O ATOM 1374 ND2 ASN A 96 17.245 5.270 -4.711 1.00 0.00 N ATOM 0 H ASN A 96 14.980 1.030 -6.108 1.00 0.00 H new ATOM 0 HA ASN A 96 14.879 3.554 -4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 96 16.689 3.051 -7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.945 4.622 -6.816 1.00 0.00 H new ATOM 0 HD21 ASN A 96 17.947 5.573 -4.036 1.00 0.00 H new ATOM 0 HD22 ASN A 96 16.451 5.873 -4.927 1.00 0.00 H new ATOM 1381 N LEU A 97 12.806 3.754 -6.059 1.00 0.00 N ATOM 1382 CA LEU A 97 11.604 3.935 -6.862 1.00 0.00 C ATOM 1383 C LEU A 97 11.858 4.801 -8.092 1.00 0.00 C ATOM 1384 O LEU A 97 11.085 4.757 -9.052 1.00 0.00 O ATOM 1385 CB LEU A 97 10.423 4.492 -6.035 1.00 0.00 C ATOM 1386 CG LEU A 97 10.774 5.398 -4.850 1.00 0.00 C ATOM 1387 CD1 LEU A 97 11.670 6.522 -5.294 1.00 0.00 C ATOM 1388 CD2 LEU A 97 9.510 5.956 -4.214 1.00 0.00 C ATOM 0 H LEU A 97 12.736 4.107 -5.105 1.00 0.00 H new ATOM 0 HA LEU A 97 11.323 2.941 -7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.771 5.050 -6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.845 3.648 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 97 11.304 4.801 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 97 11.909 7.156 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 97 12.590 6.111 -5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.161 7.115 -6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.778 6.597 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.957 6.537 -4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.888 5.134 -3.859 1.00 0.00 H new ATOM 1400 N TYR A 98 12.952 5.576 -8.064 1.00 0.00 N ATOM 1401 CA TYR A 98 13.261 6.548 -9.117 1.00 0.00 C ATOM 1402 C TYR A 98 12.096 7.540 -9.272 1.00 0.00 C ATOM 1403 O TYR A 98 12.051 8.357 -10.190 1.00 0.00 O ATOM 1404 CB TYR A 98 13.553 5.816 -10.437 1.00 0.00 C ATOM 1405 CG TYR A 98 13.945 6.717 -11.589 1.00 0.00 C ATOM 1406 CD1 TYR A 98 15.144 7.414 -11.575 1.00 0.00 C ATOM 1407 CD2 TYR A 98 13.111 6.868 -12.689 1.00 0.00 C ATOM 1408 CE1 TYR A 98 15.503 8.238 -12.626 1.00 0.00 C ATOM 1409 CE2 TYR A 98 13.461 7.687 -13.743 1.00 0.00 C ATOM 1410 CZ TYR A 98 14.659 8.370 -13.708 1.00 0.00 C ATOM 1411 OH TYR A 98 15.014 9.187 -14.759 1.00 0.00 O ATOM 0 H TYR A 98 13.643 5.545 -7.314 1.00 0.00 H new ATOM 0 HA TYR A 98 14.151 7.113 -8.841 1.00 0.00 H new ATOM 0 HB2 TYR A 98 14.354 5.097 -10.268 1.00 0.00 H new ATOM 0 HB3 TYR A 98 12.669 5.247 -10.724 1.00 0.00 H new ATOM 0 HD1 TYR A 98 15.808 7.312 -10.730 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.172 6.335 -12.720 1.00 0.00 H new ATOM 0 HE1 TYR A 98 16.440 8.775 -12.599 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.800 7.793 -14.591 1.00 0.00 H new ATOM 0 HH TYR A 98 14.310 9.168 -15.441 1.00 0.00 H new ATOM 1421 N PHE A 99 11.185 7.477 -8.316 1.00 0.00 N ATOM 1422 CA PHE A 99 9.905 8.150 -8.388 1.00 0.00 C ATOM 1423 C PHE A 99 9.987 9.487 -7.664 1.00 0.00 C ATOM 1424 O PHE A 99 9.626 9.586 -6.492 1.00 0.00 O ATOM 1425 CB PHE A 99 8.840 7.240 -7.752 1.00 0.00 C ATOM 1426 CG PHE A 99 7.432 7.501 -8.190 1.00 0.00 C ATOM 1427 CD1 PHE A 99 7.153 8.504 -9.089 1.00 0.00 C ATOM 1428 CD2 PHE A 99 6.388 6.727 -7.703 1.00 0.00 C ATOM 1429 CE1 PHE A 99 5.860 8.744 -9.505 1.00 0.00 C ATOM 1430 CE2 PHE A 99 5.092 6.962 -8.113 1.00 0.00 C ATOM 1431 CZ PHE A 99 4.827 7.972 -9.016 1.00 0.00 C ATOM 0 H PHE A 99 11.319 6.947 -7.455 1.00 0.00 H new ATOM 0 HA PHE A 99 9.634 8.347 -9.425 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.088 6.203 -7.980 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.892 7.349 -6.669 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.958 9.112 -9.475 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.592 5.935 -6.998 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.657 9.535 -10.212 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.285 6.356 -7.728 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.813 8.157 -9.339 1.00 0.00 H new ATOM 1441 N GLN A 100 10.481 10.494 -8.379 1.00 0.00 N ATOM 1442 CA GLN A 100 10.689 11.831 -7.828 1.00 0.00 C ATOM 1443 C GLN A 100 11.674 11.777 -6.660 1.00 0.00 C ATOM 1444 O GLN A 100 12.876 11.563 -6.920 1.00 0.00 O ATOM 1445 CB GLN A 100 9.352 12.452 -7.402 1.00 0.00 C ATOM 1446 CG GLN A 100 9.440 13.930 -7.057 1.00 0.00 C ATOM 1447 CD GLN A 100 8.085 14.528 -6.736 1.00 0.00 C ATOM 1448 OE1 GLN A 100 7.650 14.529 -5.585 1.00 0.00 O ATOM 1449 NE2 GLN A 100 7.407 15.040 -7.750 1.00 0.00 N ATOM 1450 OXT GLN A 100 11.256 11.944 -5.491 1.00 0.00 O ATOM 0 H GLN A 100 10.749 10.406 -9.359 1.00 0.00 H new ATOM 0 HA GLN A 100 11.119 12.467 -8.602 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.629 12.319 -8.207 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.970 11.909 -6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.104 14.062 -6.203 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.884 14.470 -7.893 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.802 15.020 -8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.489 15.455 -7.592 1.00 0.00 H new TER 1459 GLN A 100 HETATM 1460 FE1 FES A 201 1.895 -12.526 -1.259 1.00 0.00 FE HETATM 1461 FE2 FES A 201 0.533 -9.660 -1.493 1.00 0.00 FE HETATM 1462 S1 FES A 201 0.258 -11.630 -2.424 1.00 0.00 S HETATM 1463 S2 FES A 201 1.932 -10.644 -0.116 1.00 0.00 S