USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 634 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 56 TYR OH : rot -141:sc= -8.52! USER MOD Set 1.2: A 66 LYS NZ :NH3+ -162:sc= -1.28! (180deg=-2.53!) USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 48 ASN : amide:sc= -4.35! C(o=-4.3!,f=-5.4!) USER MOD Set 3.1: A 41 SER OG : rot 63:sc= 1.29 USER MOD Set 3.2: A 42 GLN : amide:sc= -4.61 X(o=-3.3,f=-3.4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -10.2! C(o=-10!,f=-9.5!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.033 USER MOD Single : A 10 SER OG : rot -11:sc= 0.222! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 63:sc= -1.09! USER MOD Single : A 21 THR OG1 : rot -13:sc= 0.655 USER MOD Single : A 22 LYS NZ :NH3+ -111:sc= 0.344 (180deg=-3.56!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 69:sc= 1.05 USER MOD Single : A 28 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.5!) USER MOD Single : A 30 ASN : amide:sc= -14.5! C(o=-15!,f=-15!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0802 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.503 K(o=-0.5,f=-2.7!) USER MOD Single : A 40 SER OG : rot -79:sc= -1.6 USER MOD Single : A 43 TYR OH : rot -15:sc= -0.285! USER MOD Single : A 44 THR OG1 : rot 68:sc= 0.758 USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= -0.123 (180deg=-0.775) USER MOD Single : A 51 THR OG1 : rot -170:sc= -4.29! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.57 K(o=-1.6,f=-3.6!) USER MOD Single : A 59 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 63 ASN : amide:sc= -5.2! C(o=-5.2!,f=-4.7!) USER MOD Single : A 64 THR OG1 : rot -74:sc= 1.14 USER MOD Single : A 65 THR OG1 : rot -66:sc= -1.86! USER MOD Single : A 67 THR OG1 : rot -79:sc= -0.362 USER MOD Single : A 69 THR OG1 : rot -175:sc= -2.04! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -8.03! C(o=-8!,f=-14!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 73:sc= 0.555 USER MOD Single : A 84 THR OG1 : rot -163:sc= -1.06 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -6.207 16.963 -5.969 1.00 0.00 N ATOM 38 CA ASP A 3 -7.247 15.952 -6.100 1.00 0.00 C ATOM 39 C ASP A 3 -6.719 14.707 -6.813 1.00 0.00 C ATOM 40 O ASP A 3 -6.960 14.511 -8.002 1.00 0.00 O ATOM 41 CB ASP A 3 -8.444 16.516 -6.860 1.00 0.00 C ATOM 42 CG ASP A 3 -9.707 16.528 -6.021 1.00 0.00 C ATOM 43 OD1 ASP A 3 -9.835 17.413 -5.150 1.00 0.00 O ATOM 44 OD2 ASP A 3 -10.569 15.649 -6.236 1.00 0.00 O ATOM 0 HA ASP A 3 -7.563 15.666 -5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.218 17.531 -7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.613 15.922 -7.758 1.00 0.00 H new ATOM 49 N PRO A 4 -5.979 13.852 -6.090 1.00 0.00 N ATOM 50 CA PRO A 4 -5.413 12.627 -6.648 1.00 0.00 C ATOM 51 C PRO A 4 -6.386 11.459 -6.569 1.00 0.00 C ATOM 52 O PRO A 4 -7.302 11.460 -5.744 1.00 0.00 O ATOM 53 CB PRO A 4 -4.211 12.385 -5.744 1.00 0.00 C ATOM 54 CG PRO A 4 -4.630 12.909 -4.410 1.00 0.00 C ATOM 55 CD PRO A 4 -5.631 14.013 -4.667 1.00 0.00 C ATOM 0 HA PRO A 4 -5.168 12.717 -7.706 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.961 11.325 -5.693 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.326 12.904 -6.114 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.074 12.118 -3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.771 13.288 -3.857 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.508 13.914 -4.028 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.202 14.995 -4.469 1.00 0.00 H new ATOM 63 N THR A 5 -6.192 10.462 -7.423 1.00 0.00 N ATOM 64 CA THR A 5 -7.073 9.293 -7.425 1.00 0.00 C ATOM 65 C THR A 5 -6.306 8.013 -7.720 1.00 0.00 C ATOM 66 O THR A 5 -5.836 7.803 -8.835 1.00 0.00 O ATOM 67 CB THR A 5 -8.202 9.470 -8.436 1.00 0.00 C ATOM 68 OG1 THR A 5 -8.891 10.688 -8.212 1.00 0.00 O ATOM 69 CG2 THR A 5 -9.219 8.352 -8.383 1.00 0.00 C ATOM 0 H THR A 5 -5.444 10.435 -8.116 1.00 0.00 H new ATOM 0 HA THR A 5 -7.501 9.208 -6.426 1.00 0.00 H new ATOM 0 HB THR A 5 -7.723 9.465 -9.415 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.610 10.783 -8.871 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.997 8.533 -9.124 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.728 7.403 -8.597 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.666 8.314 -7.390 1.00 0.00 H new ATOM 77 N ILE A 6 -6.174 7.161 -6.712 1.00 0.00 N ATOM 78 CA ILE A 6 -5.448 5.911 -6.864 1.00 0.00 C ATOM 79 C ILE A 6 -6.244 4.725 -6.321 1.00 0.00 C ATOM 80 O ILE A 6 -7.414 4.855 -5.963 1.00 0.00 O ATOM 81 CB ILE A 6 -4.080 5.995 -6.149 1.00 0.00 C ATOM 82 CG1 ILE A 6 -4.163 5.429 -4.727 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.589 7.436 -6.104 1.00 0.00 C ATOM 84 CD1 ILE A 6 -5.286 6.012 -3.908 1.00 0.00 C ATOM 0 H ILE A 6 -6.561 7.314 -5.781 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.291 5.751 -7.931 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.371 5.394 -6.718 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.289 4.348 -4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.218 5.614 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.625 7.476 -5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.481 7.815 -7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.309 8.049 -5.562 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.282 5.564 -2.914 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.151 7.090 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.238 5.804 -4.396 1.00 0.00 H new ATOM 96 N ASN A 7 -5.581 3.577 -6.247 1.00 0.00 N ATOM 97 CA ASN A 7 -6.193 2.358 -5.728 1.00 0.00 C ATOM 98 C ASN A 7 -6.929 2.626 -4.423 1.00 0.00 C ATOM 99 O ASN A 7 -6.880 3.730 -3.883 1.00 0.00 O ATOM 100 CB ASN A 7 -5.113 1.294 -5.521 1.00 0.00 C ATOM 101 CG ASN A 7 -4.184 1.637 -4.374 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.272 1.058 -3.291 1.00 0.00 O ATOM 103 ND2 ASN A 7 -3.285 2.585 -4.610 1.00 0.00 N ATOM 0 H ASN A 7 -4.611 3.464 -6.542 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.923 1.998 -6.453 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.586 0.331 -5.328 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.532 1.185 -6.437 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.630 2.861 -3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.249 3.038 -5.523 1.00 0.00 H new ATOM 110 N PRO A 8 -7.647 1.614 -3.917 1.00 0.00 N ATOM 111 CA PRO A 8 -8.425 1.734 -2.687 1.00 0.00 C ATOM 112 C PRO A 8 -7.577 2.171 -1.496 1.00 0.00 C ATOM 113 O PRO A 8 -6.540 2.812 -1.668 1.00 0.00 O ATOM 114 CB PRO A 8 -8.984 0.325 -2.471 1.00 0.00 C ATOM 115 CG PRO A 8 -8.979 -0.285 -3.827 1.00 0.00 C ATOM 116 CD PRO A 8 -7.774 0.280 -4.518 1.00 0.00 C ATOM 0 HA PRO A 8 -9.197 2.498 -2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.367 -0.245 -1.776 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.990 0.356 -2.053 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.923 -1.372 -3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.892 -0.042 -4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.886 -0.328 -4.344 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.916 0.335 -5.597 1.00 0.00 H new ATOM 124 N THR A 9 -8.032 1.845 -0.290 1.00 0.00 N ATOM 125 CA THR A 9 -7.318 2.235 0.909 1.00 0.00 C ATOM 126 C THR A 9 -7.372 1.160 2.000 1.00 0.00 C ATOM 127 O THR A 9 -6.773 1.324 3.065 1.00 0.00 O ATOM 128 CB THR A 9 -7.912 3.537 1.443 1.00 0.00 C ATOM 129 OG1 THR A 9 -8.628 4.211 0.424 1.00 0.00 O ATOM 130 CG2 THR A 9 -6.878 4.495 1.989 1.00 0.00 C ATOM 0 H THR A 9 -8.887 1.315 -0.123 1.00 0.00 H new ATOM 0 HA THR A 9 -6.270 2.370 0.642 1.00 0.00 H new ATOM 0 HB THR A 9 -8.568 3.240 2.261 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.003 5.042 0.783 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.372 5.397 2.350 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.341 4.021 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.174 4.759 1.200 1.00 0.00 H new ATOM 138 N SER A 10 -8.088 0.068 1.746 1.00 0.00 N ATOM 139 CA SER A 10 -8.208 -0.996 2.729 1.00 0.00 C ATOM 140 C SER A 10 -7.921 -2.364 2.120 1.00 0.00 C ATOM 141 O SER A 10 -8.493 -2.737 1.095 1.00 0.00 O ATOM 142 CB SER A 10 -9.607 -0.988 3.348 1.00 0.00 C ATOM 143 OG SER A 10 -10.519 -1.729 2.555 1.00 0.00 O ATOM 0 H SER A 10 -8.589 -0.100 0.874 1.00 0.00 H new ATOM 0 HA SER A 10 -7.464 -0.811 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.566 -1.410 4.352 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.958 0.039 3.448 1.00 0.00 H new ATOM 0 HG SER A 10 -10.103 -1.946 1.695 1.00 0.00 H new ATOM 149 N ILE A 11 -7.037 -3.102 2.774 1.00 0.00 N ATOM 150 CA ILE A 11 -6.661 -4.439 2.330 1.00 0.00 C ATOM 151 C ILE A 11 -6.113 -5.261 3.498 1.00 0.00 C ATOM 152 O ILE A 11 -5.377 -4.746 4.341 1.00 0.00 O ATOM 153 CB ILE A 11 -5.610 -4.387 1.202 1.00 0.00 C ATOM 154 CG1 ILE A 11 -5.024 -5.777 0.937 1.00 0.00 C ATOM 155 CG2 ILE A 11 -4.506 -3.400 1.548 1.00 0.00 C ATOM 156 CD1 ILE A 11 -4.988 -6.147 -0.524 1.00 0.00 C ATOM 0 H ILE A 11 -6.562 -2.795 3.623 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.561 -4.915 1.942 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.105 -4.048 0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.012 -5.818 1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.612 -6.519 1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.773 -3.376 0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.934 -2.406 1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.018 -3.709 2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.561 -7.144 -0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.001 -6.139 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.376 -5.427 -1.067 1.00 0.00 H new ATOM 168 N SER A 12 -6.481 -6.538 3.544 1.00 0.00 N ATOM 169 CA SER A 12 -6.026 -7.424 4.614 1.00 0.00 C ATOM 170 C SER A 12 -5.837 -8.852 4.117 1.00 0.00 C ATOM 171 O SER A 12 -6.661 -9.375 3.362 1.00 0.00 O ATOM 172 CB SER A 12 -7.021 -7.409 5.774 1.00 0.00 C ATOM 173 OG SER A 12 -8.101 -6.529 5.513 1.00 0.00 O ATOM 0 H SER A 12 -7.090 -6.982 2.857 1.00 0.00 H new ATOM 0 HA SER A 12 -5.060 -7.054 4.959 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.402 -8.416 5.942 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.513 -7.103 6.688 1.00 0.00 H new ATOM 0 HG SER A 12 -8.723 -6.540 6.270 1.00 0.00 H new ATOM 179 N ALA A 13 -4.750 -9.478 4.549 1.00 0.00 N ATOM 180 CA ALA A 13 -4.438 -10.843 4.167 1.00 0.00 C ATOM 181 C ALA A 13 -3.266 -11.371 4.981 1.00 0.00 C ATOM 182 O ALA A 13 -2.583 -10.622 5.680 1.00 0.00 O ATOM 183 CB ALA A 13 -4.128 -10.916 2.680 1.00 0.00 C ATOM 0 H ALA A 13 -4.064 -9.053 5.172 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.307 -11.468 4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.896 -11.945 2.407 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.993 -10.576 2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.273 -10.279 2.455 1.00 0.00 H new ATOM 189 N LYS A 14 -3.024 -12.661 4.869 1.00 0.00 N ATOM 190 CA LYS A 14 -1.915 -13.281 5.578 1.00 0.00 C ATOM 191 C LYS A 14 -0.611 -12.812 4.954 1.00 0.00 C ATOM 192 O LYS A 14 -0.482 -12.780 3.731 1.00 0.00 O ATOM 193 CB LYS A 14 -2.026 -14.810 5.524 1.00 0.00 C ATOM 194 CG LYS A 14 -0.769 -15.536 5.975 1.00 0.00 C ATOM 195 CD LYS A 14 -0.625 -16.883 5.284 1.00 0.00 C ATOM 196 CE LYS A 14 0.738 -17.035 4.638 1.00 0.00 C ATOM 197 NZ LYS A 14 1.186 -18.456 4.615 1.00 0.00 N ATOM 0 H LYS A 14 -3.575 -13.301 4.297 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.941 -12.986 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.860 -15.126 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.261 -15.111 4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.105 -14.921 5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.799 -15.681 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.776 -17.683 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.401 -16.989 4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.702 -16.649 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.467 -16.433 5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.122 -18.518 4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.245 -18.817 5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.504 -19.026 4.075 1.00 0.00 H new ATOM 211 N ALA A 15 0.350 -12.424 5.775 1.00 0.00 N ATOM 212 CA ALA A 15 1.610 -11.943 5.232 1.00 0.00 C ATOM 213 C ALA A 15 2.226 -12.984 4.323 1.00 0.00 C ATOM 214 O ALA A 15 2.809 -13.971 4.767 1.00 0.00 O ATOM 215 CB ALA A 15 2.572 -11.508 6.324 1.00 0.00 C ATOM 0 H ALA A 15 0.287 -12.431 6.793 1.00 0.00 H new ATOM 0 HA ALA A 15 1.399 -11.055 4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.500 -11.156 5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.123 -10.703 6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.785 -12.353 6.979 1.00 0.00 H new ATOM 221 N GLY A 16 2.050 -12.742 3.039 1.00 0.00 N ATOM 222 CA GLY A 16 2.541 -13.636 2.025 1.00 0.00 C ATOM 223 C GLY A 16 1.495 -13.824 0.953 1.00 0.00 C ATOM 224 O GLY A 16 1.801 -13.858 -0.228 1.00 0.00 O ATOM 0 H GLY A 16 1.564 -11.922 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.455 -13.235 1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.796 -14.598 2.469 1.00 0.00 H new ATOM 228 N SER A 17 0.238 -13.887 1.374 1.00 0.00 N ATOM 229 CA SER A 17 -0.856 -14.034 0.449 1.00 0.00 C ATOM 230 C SER A 17 -1.036 -12.754 -0.352 1.00 0.00 C ATOM 231 O SER A 17 -2.030 -12.570 -1.054 1.00 0.00 O ATOM 232 CB SER A 17 -2.127 -14.343 1.231 1.00 0.00 C ATOM 233 OG SER A 17 -1.925 -14.197 2.625 1.00 0.00 O ATOM 0 H SER A 17 -0.040 -13.838 2.354 1.00 0.00 H new ATOM 0 HA SER A 17 -0.644 -14.849 -0.243 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.927 -13.677 0.906 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.451 -15.361 1.014 1.00 0.00 H new ATOM 0 HG SER A 17 -1.702 -13.264 2.827 1.00 0.00 H new ATOM 239 N PHE A 18 -0.062 -11.865 -0.232 1.00 0.00 N ATOM 240 CA PHE A 18 -0.102 -10.602 -0.915 1.00 0.00 C ATOM 241 C PHE A 18 0.673 -10.657 -2.211 1.00 0.00 C ATOM 242 O PHE A 18 1.819 -10.216 -2.278 1.00 0.00 O ATOM 243 CB PHE A 18 0.477 -9.548 -0.009 1.00 0.00 C ATOM 244 CG PHE A 18 -0.419 -9.183 1.137 1.00 0.00 C ATOM 245 CD1 PHE A 18 -1.544 -8.401 0.929 1.00 0.00 C ATOM 246 CD2 PHE A 18 -0.144 -9.630 2.416 1.00 0.00 C ATOM 247 CE1 PHE A 18 -2.375 -8.070 1.981 1.00 0.00 C ATOM 248 CE2 PHE A 18 -0.970 -9.304 3.472 1.00 0.00 C ATOM 249 CZ PHE A 18 -2.090 -8.523 3.255 1.00 0.00 C ATOM 0 H PHE A 18 0.770 -12.007 0.341 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.136 -10.361 -1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.430 -9.902 0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.687 -8.653 -0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.773 -8.047 -0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.728 -10.242 2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.247 -7.457 1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.742 -9.658 4.466 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.740 -8.268 4.079 1.00 0.00 H new ATOM 259 N ALA A 19 0.044 -11.186 -3.238 1.00 0.00 N ATOM 260 CA ALA A 19 0.684 -11.288 -4.541 1.00 0.00 C ATOM 261 C ALA A 19 0.864 -9.898 -5.143 1.00 0.00 C ATOM 262 O ALA A 19 0.146 -8.967 -4.779 1.00 0.00 O ATOM 263 CB ALA A 19 -0.129 -12.172 -5.469 1.00 0.00 C ATOM 0 H ALA A 19 -0.907 -11.552 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 19 1.666 -11.745 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.366 -12.235 -6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.214 -13.170 -5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.124 -11.746 -5.598 1.00 0.00 H new ATOM 269 N ASP A 20 1.828 -9.761 -6.048 1.00 0.00 N ATOM 270 CA ASP A 20 2.108 -8.474 -6.686 1.00 0.00 C ATOM 271 C ASP A 20 0.822 -7.680 -6.890 1.00 0.00 C ATOM 272 O ASP A 20 -0.047 -8.087 -7.651 1.00 0.00 O ATOM 273 CB ASP A 20 2.808 -8.688 -8.028 1.00 0.00 C ATOM 274 CG ASP A 20 3.282 -7.386 -8.648 1.00 0.00 C ATOM 275 OD1 ASP A 20 4.394 -6.936 -8.303 1.00 0.00 O ATOM 276 OD2 ASP A 20 2.539 -6.820 -9.476 1.00 0.00 O ATOM 0 H ASP A 20 2.430 -10.524 -6.358 1.00 0.00 H new ATOM 0 HA ASP A 20 2.766 -7.905 -6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.661 -9.352 -7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.125 -9.187 -8.715 1.00 0.00 H new ATOM 281 N THR A 21 0.708 -6.549 -6.196 1.00 0.00 N ATOM 282 CA THR A 21 -0.486 -5.720 -6.306 1.00 0.00 C ATOM 283 C THR A 21 -0.189 -4.405 -7.016 1.00 0.00 C ATOM 284 O THR A 21 0.354 -3.481 -6.421 1.00 0.00 O ATOM 285 CB THR A 21 -1.067 -5.444 -4.920 1.00 0.00 C ATOM 286 OG1 THR A 21 -0.903 -6.569 -4.074 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.542 -5.101 -4.945 1.00 0.00 C ATOM 0 H THR A 21 1.420 -6.191 -5.559 1.00 0.00 H new ATOM 0 HA THR A 21 -1.217 -6.268 -6.901 1.00 0.00 H new ATOM 0 HB THR A 21 -0.516 -4.582 -4.544 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.638 -7.345 -4.610 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.890 -4.917 -3.929 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.698 -4.207 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.101 -5.932 -5.375 1.00 0.00 H new ATOM 295 N LYS A 22 -0.562 -4.320 -8.285 1.00 0.00 N ATOM 296 CA LYS A 22 -0.334 -3.123 -9.061 1.00 0.00 C ATOM 297 C LYS A 22 -1.224 -1.994 -8.572 1.00 0.00 C ATOM 298 O LYS A 22 -2.205 -2.214 -7.861 1.00 0.00 O ATOM 299 CB LYS A 22 -0.593 -3.391 -10.545 1.00 0.00 C ATOM 300 CG LYS A 22 0.664 -3.386 -11.394 1.00 0.00 C ATOM 301 CD LYS A 22 0.691 -2.198 -12.343 1.00 0.00 C ATOM 302 CE LYS A 22 1.454 -1.027 -11.747 1.00 0.00 C ATOM 303 NZ LYS A 22 0.867 0.276 -12.151 1.00 0.00 N ATOM 0 H LYS A 22 -1.025 -5.072 -8.795 1.00 0.00 H new ATOM 0 HA LYS A 22 0.707 -2.826 -8.935 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.088 -4.357 -10.650 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.282 -2.637 -10.927 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.541 -3.356 -10.747 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.721 -4.312 -11.967 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.153 -2.494 -13.285 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.329 -1.890 -12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.450 -1.106 -10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.495 -1.071 -12.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.521 0.767 -12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.038 0.113 -12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.707 0.861 -11.306 1.00 0.00 H new ATOM 317 N ILE A 23 -0.852 -0.788 -8.944 1.00 0.00 N ATOM 318 CA ILE A 23 -1.583 0.397 -8.541 1.00 0.00 C ATOM 319 C ILE A 23 -1.431 1.528 -9.554 1.00 0.00 C ATOM 320 O ILE A 23 -0.395 1.657 -10.209 1.00 0.00 O ATOM 321 CB ILE A 23 -1.099 0.870 -7.165 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.647 -0.047 -6.077 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.504 2.314 -6.906 1.00 0.00 C ATOM 324 CD1 ILE A 23 -1.212 0.333 -4.679 1.00 0.00 C ATOM 0 H ILE A 23 -0.039 -0.600 -9.531 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.639 0.131 -8.490 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.010 0.825 -7.149 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.736 -0.039 -6.123 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.327 -1.069 -6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.147 2.621 -5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.065 2.957 -7.669 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.590 2.399 -6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.642 -0.366 -3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.125 0.297 -4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.555 1.342 -4.453 1.00 0.00 H new ATOM 336 N THR A 24 -2.468 2.350 -9.666 1.00 0.00 N ATOM 337 CA THR A 24 -2.462 3.484 -10.585 1.00 0.00 C ATOM 338 C THR A 24 -2.772 4.778 -9.839 1.00 0.00 C ATOM 339 O THR A 24 -3.933 5.101 -9.592 1.00 0.00 O ATOM 340 CB THR A 24 -3.481 3.268 -11.704 1.00 0.00 C ATOM 341 OG1 THR A 24 -3.363 1.965 -12.247 1.00 0.00 O ATOM 342 CG2 THR A 24 -3.340 4.254 -12.844 1.00 0.00 C ATOM 0 H THR A 24 -3.329 2.252 -9.128 1.00 0.00 H new ATOM 0 HA THR A 24 -1.468 3.564 -11.025 1.00 0.00 H new ATOM 0 HB THR A 24 -4.455 3.415 -11.237 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.025 1.847 -12.960 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.094 4.043 -13.603 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.478 5.268 -12.467 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.347 4.162 -13.284 1.00 0.00 H new ATOM 350 N LEU A 25 -1.723 5.508 -9.474 1.00 0.00 N ATOM 351 CA LEU A 25 -1.859 6.752 -8.751 1.00 0.00 C ATOM 352 C LEU A 25 -2.162 7.912 -9.694 1.00 0.00 C ATOM 353 O LEU A 25 -1.261 8.436 -10.345 1.00 0.00 O ATOM 354 CB LEU A 25 -0.566 7.001 -7.998 1.00 0.00 C ATOM 355 CG LEU A 25 -0.464 6.290 -6.652 1.00 0.00 C ATOM 356 CD1 LEU A 25 0.689 5.308 -6.663 1.00 0.00 C ATOM 357 CD2 LEU A 25 -0.305 7.298 -5.526 1.00 0.00 C ATOM 0 H LEU A 25 -0.758 5.247 -9.675 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.695 6.681 -8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.269 6.686 -8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.457 8.073 -7.836 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.386 5.735 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.750 4.808 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.528 4.567 -7.446 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.620 5.842 -6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.234 6.772 -4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.601 7.882 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.168 7.964 -5.509 1.00 0.00 H new ATOM 369 N THR A 26 -3.430 8.315 -9.756 1.00 0.00 N ATOM 370 CA THR A 26 -3.829 9.424 -10.619 1.00 0.00 C ATOM 371 C THR A 26 -3.272 10.729 -10.068 1.00 0.00 C ATOM 372 O THR A 26 -3.698 11.197 -9.005 1.00 0.00 O ATOM 373 CB THR A 26 -5.353 9.510 -10.733 1.00 0.00 C ATOM 374 OG1 THR A 26 -5.893 8.280 -11.188 1.00 0.00 O ATOM 375 CG2 THR A 26 -5.821 10.593 -11.681 1.00 0.00 C ATOM 0 H THR A 26 -4.192 7.894 -9.224 1.00 0.00 H new ATOM 0 HA THR A 26 -3.424 9.249 -11.616 1.00 0.00 H new ATOM 0 HB THR A 26 -5.705 9.749 -9.729 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.782 7.597 -10.494 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.910 10.600 -11.716 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.463 11.562 -11.332 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.428 10.398 -12.679 1.00 0.00 H new ATOM 383 N PRO A 27 -2.295 11.318 -10.791 1.00 0.00 N ATOM 384 CA PRO A 27 -1.624 12.563 -10.404 1.00 0.00 C ATOM 385 C PRO A 27 -2.295 13.799 -10.965 1.00 0.00 C ATOM 386 O PRO A 27 -1.790 14.899 -10.800 1.00 0.00 O ATOM 387 CB PRO A 27 -0.275 12.383 -11.064 1.00 0.00 C ATOM 388 CG PRO A 27 -0.625 11.761 -12.365 1.00 0.00 C ATOM 389 CD PRO A 27 -1.742 10.797 -12.058 1.00 0.00 C ATOM 0 HA PRO A 27 -1.615 12.716 -9.325 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.241 13.334 -11.196 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.382 11.744 -10.474 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.942 12.513 -13.088 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.232 11.245 -12.797 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.491 10.783 -12.849 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.375 9.776 -11.948 1.00 0.00 H new ATOM 397 N ASN A 28 -3.405 13.577 -11.655 1.00 0.00 N ATOM 398 CA ASN A 28 -4.191 14.603 -12.309 1.00 0.00 C ATOM 399 C ASN A 28 -4.234 15.869 -11.484 1.00 0.00 C ATOM 400 O ASN A 28 -5.266 16.272 -10.948 1.00 0.00 O ATOM 401 CB ASN A 28 -5.613 14.097 -12.558 1.00 0.00 C ATOM 402 CG ASN A 28 -6.153 14.526 -13.906 1.00 0.00 C ATOM 403 OD1 ASN A 28 -5.480 15.227 -14.664 1.00 0.00 O ATOM 404 ND2 ASN A 28 -7.375 14.108 -14.216 1.00 0.00 N ATOM 0 H ASN A 28 -3.793 12.642 -11.777 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.716 14.833 -13.263 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.624 13.009 -12.495 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.270 14.468 -11.772 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.791 14.366 -15.111 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.898 13.529 -13.559 1.00 0.00 H new ATOM 411 N GLY A 29 -3.074 16.466 -11.398 1.00 0.00 N ATOM 412 CA GLY A 29 -2.892 17.694 -10.645 1.00 0.00 C ATOM 413 C GLY A 29 -1.978 17.505 -9.450 1.00 0.00 C ATOM 414 O GLY A 29 -1.309 18.438 -9.010 1.00 0.00 O ATOM 0 H GLY A 29 -2.225 16.120 -11.845 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.477 18.461 -11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.862 18.056 -10.304 1.00 0.00 H new ATOM 418 N ASN A 30 -1.955 16.284 -8.937 1.00 0.00 N ATOM 419 CA ASN A 30 -1.131 15.930 -7.791 1.00 0.00 C ATOM 420 C ASN A 30 0.112 15.169 -8.229 1.00 0.00 C ATOM 421 O ASN A 30 0.221 14.740 -9.379 1.00 0.00 O ATOM 422 CB ASN A 30 -1.931 15.075 -6.806 1.00 0.00 C ATOM 423 CG ASN A 30 -3.431 15.172 -7.026 1.00 0.00 C ATOM 424 OD1 ASN A 30 -4.140 15.802 -6.245 1.00 0.00 O ATOM 425 ND2 ASN A 30 -3.921 14.538 -8.087 1.00 0.00 N ATOM 0 H ASN A 30 -2.508 15.510 -9.304 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.822 16.854 -7.302 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.621 14.034 -6.900 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.697 15.386 -5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.923 14.563 -8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.295 14.027 -8.709 1.00 0.00 H new ATOM 432 N THR A 31 1.044 14.998 -7.299 1.00 0.00 N ATOM 433 CA THR A 31 2.283 14.283 -7.571 1.00 0.00 C ATOM 434 C THR A 31 2.535 13.226 -6.502 1.00 0.00 C ATOM 435 O THR A 31 1.900 13.234 -5.448 1.00 0.00 O ATOM 436 CB THR A 31 3.460 15.259 -7.627 1.00 0.00 C ATOM 437 OG1 THR A 31 4.646 14.594 -8.024 1.00 0.00 O ATOM 438 CG2 THR A 31 3.736 15.940 -6.305 1.00 0.00 C ATOM 0 H THR A 31 0.963 15.348 -6.344 1.00 0.00 H new ATOM 0 HA THR A 31 2.188 13.789 -8.538 1.00 0.00 H new ATOM 0 HB THR A 31 3.171 16.017 -8.355 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.386 15.236 -8.055 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.582 16.618 -6.415 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.856 16.505 -5.996 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.969 15.189 -5.550 1.00 0.00 H new ATOM 446 N PHE A 32 3.459 12.316 -6.781 1.00 0.00 N ATOM 447 CA PHE A 32 3.791 11.246 -5.843 1.00 0.00 C ATOM 448 C PHE A 32 5.227 11.380 -5.341 1.00 0.00 C ATOM 449 O PHE A 32 6.133 11.711 -6.103 1.00 0.00 O ATOM 450 CB PHE A 32 3.604 9.882 -6.507 1.00 0.00 C ATOM 451 CG PHE A 32 3.837 8.721 -5.578 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.551 8.828 -4.226 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.350 7.528 -6.058 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.770 7.766 -3.373 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.572 6.462 -5.210 1.00 0.00 C ATOM 456 CZ PHE A 32 4.283 6.582 -3.863 1.00 0.00 C ATOM 0 H PHE A 32 3.994 12.295 -7.649 1.00 0.00 H new ATOM 0 HA PHE A 32 3.117 11.328 -4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.592 9.818 -6.908 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.287 9.802 -7.353 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.152 9.753 -3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.579 7.430 -7.109 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.540 7.861 -2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.971 5.536 -5.598 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.458 5.751 -3.196 1.00 0.00 H new ATOM 466 N ASN A 33 5.422 11.110 -4.052 1.00 0.00 N ATOM 467 CA ASN A 33 6.747 11.190 -3.447 1.00 0.00 C ATOM 468 C ASN A 33 7.225 9.811 -3.001 1.00 0.00 C ATOM 469 O ASN A 33 8.404 9.482 -3.123 1.00 0.00 O ATOM 470 CB ASN A 33 6.730 12.148 -2.254 1.00 0.00 C ATOM 471 CG ASN A 33 7.963 13.030 -2.205 1.00 0.00 C ATOM 472 OD1 ASN A 33 8.880 12.793 -1.418 1.00 0.00 O ATOM 473 ND2 ASN A 33 7.989 14.056 -3.050 1.00 0.00 N ATOM 0 H ASN A 33 4.680 10.835 -3.409 1.00 0.00 H new ATOM 0 HA ASN A 33 7.440 11.570 -4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.840 12.775 -2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.660 11.573 -1.330 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.792 14.685 -3.064 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.206 14.214 -3.685 1.00 0.00 H new ATOM 480 N GLY A 34 6.297 9.003 -2.488 1.00 0.00 N ATOM 481 CA GLY A 34 6.646 7.669 -2.035 1.00 0.00 C ATOM 482 C GLY A 34 5.908 7.268 -0.769 1.00 0.00 C ATOM 483 O GLY A 34 5.412 8.122 -0.036 1.00 0.00 O ATOM 0 H GLY A 34 5.313 9.250 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.422 6.951 -2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.720 7.620 -1.856 1.00 0.00 H new ATOM 487 N ILE A 35 5.847 5.962 -0.509 1.00 0.00 N ATOM 488 CA ILE A 35 5.177 5.448 0.673 1.00 0.00 C ATOM 489 C ILE A 35 6.196 5.206 1.781 1.00 0.00 C ATOM 490 O ILE A 35 6.863 4.172 1.812 1.00 0.00 O ATOM 491 CB ILE A 35 4.445 4.126 0.383 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.972 4.063 -1.069 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.272 3.947 1.337 1.00 0.00 C ATOM 494 CD1 ILE A 35 2.710 4.844 -1.339 1.00 0.00 C ATOM 0 H ILE A 35 6.256 5.244 -1.106 1.00 0.00 H new ATOM 0 HA ILE A 35 4.444 6.193 0.982 1.00 0.00 H new ATOM 0 HB ILE A 35 5.150 3.309 0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.765 4.440 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.807 3.021 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.765 3.007 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.637 3.932 2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.573 4.774 1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.441 4.749 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.901 4.454 -0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.874 5.895 -1.100 1.00 0.00 H new ATOM 506 N SER A 36 6.324 6.171 2.676 1.00 0.00 N ATOM 507 CA SER A 36 7.289 6.075 3.774 1.00 0.00 C ATOM 508 C SER A 36 7.031 4.872 4.668 1.00 0.00 C ATOM 509 O SER A 36 7.970 4.222 5.125 1.00 0.00 O ATOM 510 CB SER A 36 7.287 7.358 4.607 1.00 0.00 C ATOM 511 OG SER A 36 7.855 8.435 3.883 1.00 0.00 O ATOM 0 H SER A 36 5.776 7.031 2.670 1.00 0.00 H new ATOM 0 HA SER A 36 8.271 5.941 3.321 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.266 7.607 4.895 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.848 7.199 5.528 1.00 0.00 H new ATOM 0 HG SER A 36 7.841 9.244 4.436 1.00 0.00 H new ATOM 517 N GLU A 37 5.767 4.560 4.904 1.00 0.00 N ATOM 518 CA GLU A 37 5.415 3.437 5.711 1.00 0.00 C ATOM 519 C GLU A 37 6.098 2.193 5.165 1.00 0.00 C ATOM 520 O GLU A 37 6.361 1.237 5.895 1.00 0.00 O ATOM 521 CB GLU A 37 3.908 3.278 5.685 1.00 0.00 C ATOM 522 CG GLU A 37 3.236 3.891 4.471 1.00 0.00 C ATOM 523 CD GLU A 37 2.823 5.327 4.688 1.00 0.00 C ATOM 524 OE1 GLU A 37 2.723 5.751 5.859 1.00 0.00 O ATOM 525 OE2 GLU A 37 2.600 6.023 3.682 1.00 0.00 O ATOM 0 H GLU A 37 4.972 5.083 4.538 1.00 0.00 H new ATOM 0 HA GLU A 37 5.741 3.586 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.666 2.216 5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.491 3.732 6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.916 3.839 3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.357 3.301 4.212 1.00 0.00 H new ATOM 532 N LEU A 38 6.391 2.228 3.867 1.00 0.00 N ATOM 533 CA LEU A 38 7.054 1.128 3.199 1.00 0.00 C ATOM 534 C LEU A 38 8.067 1.652 2.187 1.00 0.00 C ATOM 535 O LEU A 38 7.788 1.728 0.991 1.00 0.00 O ATOM 536 CB LEU A 38 6.039 0.217 2.508 1.00 0.00 C ATOM 537 CG LEU A 38 4.635 0.802 2.329 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.277 0.886 0.855 1.00 0.00 C ATOM 539 CD2 LEU A 38 3.610 -0.032 3.080 1.00 0.00 C ATOM 0 H LEU A 38 6.174 3.017 3.258 1.00 0.00 H new ATOM 0 HA LEU A 38 7.581 0.543 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.429 -0.051 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.957 -0.706 3.082 1.00 0.00 H new ATOM 0 HG LEU A 38 4.627 1.810 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.276 1.304 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.995 1.526 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.303 -0.112 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.618 0.399 2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.619 -1.052 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.856 -0.042 4.142 1.00 0.00 H new ATOM 551 N GLN A 39 9.244 2.018 2.692 1.00 0.00 N ATOM 552 CA GLN A 39 10.327 2.543 1.893 1.00 0.00 C ATOM 553 C GLN A 39 10.324 1.937 0.512 1.00 0.00 C ATOM 554 O GLN A 39 10.876 0.870 0.259 1.00 0.00 O ATOM 555 CB GLN A 39 11.669 2.283 2.577 1.00 0.00 C ATOM 556 CG GLN A 39 11.757 0.923 3.250 1.00 0.00 C ATOM 557 CD GLN A 39 11.813 1.023 4.762 1.00 0.00 C ATOM 558 OE1 GLN A 39 11.694 2.109 5.328 1.00 0.00 O ATOM 559 NE2 GLN A 39 11.994 -0.108 5.425 1.00 0.00 N ATOM 0 H GLN A 39 9.466 1.953 3.685 1.00 0.00 H new ATOM 0 HA GLN A 39 10.182 3.619 1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.466 2.365 1.838 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.844 3.059 3.322 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.895 0.322 2.961 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.644 0.401 2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.088 -0.987 4.917 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.039 -0.100 6.444 1.00 0.00 H new ATOM 568 N SER A 40 9.666 2.685 -0.338 1.00 0.00 N ATOM 569 CA SER A 40 9.470 2.396 -1.767 1.00 0.00 C ATOM 570 C SER A 40 9.961 1.020 -2.183 1.00 0.00 C ATOM 571 O SER A 40 9.296 0.319 -2.939 1.00 0.00 O ATOM 572 CB SER A 40 10.159 3.463 -2.615 1.00 0.00 C ATOM 573 OG SER A 40 10.032 3.179 -3.998 1.00 0.00 O ATOM 0 H SER A 40 9.224 3.559 -0.054 1.00 0.00 H new ATOM 0 HA SER A 40 8.393 2.409 -1.936 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.724 4.439 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.214 3.518 -2.348 1.00 0.00 H new ATOM 0 HG SER A 40 10.683 2.492 -4.252 1.00 0.00 H new ATOM 579 N SER A 41 11.123 0.644 -1.697 1.00 0.00 N ATOM 580 CA SER A 41 11.688 -0.650 -2.024 1.00 0.00 C ATOM 581 C SER A 41 10.659 -1.754 -1.800 1.00 0.00 C ATOM 582 O SER A 41 10.724 -2.818 -2.416 1.00 0.00 O ATOM 583 CB SER A 41 12.942 -0.918 -1.190 1.00 0.00 C ATOM 584 OG SER A 41 13.255 0.187 -0.368 1.00 0.00 O ATOM 0 H SER A 41 11.696 1.214 -1.075 1.00 0.00 H new ATOM 0 HA SER A 41 11.969 -0.643 -3.077 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.788 -1.802 -0.572 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.782 -1.133 -1.850 1.00 0.00 H new ATOM 0 HG SER A 41 12.525 0.338 0.268 1.00 0.00 H new ATOM 590 N GLN A 42 9.701 -1.485 -0.919 1.00 0.00 N ATOM 591 CA GLN A 42 8.648 -2.428 -0.608 1.00 0.00 C ATOM 592 C GLN A 42 7.780 -2.705 -1.830 1.00 0.00 C ATOM 593 O GLN A 42 7.224 -3.793 -1.998 1.00 0.00 O ATOM 594 CB GLN A 42 7.806 -1.833 0.502 1.00 0.00 C ATOM 595 CG GLN A 42 8.616 -1.329 1.682 1.00 0.00 C ATOM 596 CD GLN A 42 9.939 -2.054 1.854 1.00 0.00 C ATOM 597 OE1 GLN A 42 9.985 -3.173 2.362 1.00 0.00 O ATOM 598 NE2 GLN A 42 11.023 -1.414 1.432 1.00 0.00 N ATOM 0 H GLN A 42 9.638 -0.607 -0.404 1.00 0.00 H new ATOM 0 HA GLN A 42 9.085 -3.376 -0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.219 -1.009 0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.100 -2.585 0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.807 -0.264 1.554 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.027 -1.440 2.592 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.938 -0.486 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.941 -1.850 1.523 1.00 0.00 H new ATOM 607 N TYR A 43 7.670 -1.696 -2.673 1.00 0.00 N ATOM 608 CA TYR A 43 6.874 -1.783 -3.888 1.00 0.00 C ATOM 609 C TYR A 43 7.679 -1.382 -5.113 1.00 0.00 C ATOM 610 O TYR A 43 8.901 -1.239 -5.059 1.00 0.00 O ATOM 611 CB TYR A 43 5.619 -0.911 -3.763 1.00 0.00 C ATOM 612 CG TYR A 43 5.905 0.538 -3.475 1.00 0.00 C ATOM 613 CD1 TYR A 43 6.211 1.422 -4.501 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.863 1.027 -2.177 1.00 0.00 C ATOM 615 CE1 TYR A 43 6.465 2.754 -4.239 1.00 0.00 C ATOM 616 CE2 TYR A 43 6.114 2.357 -1.911 1.00 0.00 C ATOM 617 CZ TYR A 43 6.414 3.217 -2.946 1.00 0.00 C ATOM 618 OH TYR A 43 6.668 4.544 -2.685 1.00 0.00 O ATOM 0 H TYR A 43 8.127 -0.794 -2.538 1.00 0.00 H new ATOM 0 HA TYR A 43 6.573 -2.823 -4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.047 -0.981 -4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.989 -1.311 -2.968 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.251 1.063 -5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.630 0.356 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.703 3.429 -5.047 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.076 2.723 -0.896 1.00 0.00 H new ATOM 0 HH TYR A 43 7.094 4.955 -3.466 1.00 0.00 H new ATOM 628 N THR A 44 6.973 -1.205 -6.213 1.00 0.00 N ATOM 629 CA THR A 44 7.572 -0.828 -7.475 1.00 0.00 C ATOM 630 C THR A 44 6.875 0.401 -8.020 1.00 0.00 C ATOM 631 O THR A 44 5.887 0.309 -8.749 1.00 0.00 O ATOM 632 CB THR A 44 7.479 -1.973 -8.480 1.00 0.00 C ATOM 633 OG1 THR A 44 7.361 -3.217 -7.811 1.00 0.00 O ATOM 634 CG2 THR A 44 8.673 -2.060 -9.405 1.00 0.00 C ATOM 0 H THR A 44 5.960 -1.320 -6.254 1.00 0.00 H new ATOM 0 HA THR A 44 8.626 -0.604 -7.310 1.00 0.00 H new ATOM 0 HB THR A 44 6.594 -1.759 -9.079 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.491 -3.266 -7.362 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.541 -2.895 -10.093 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.762 -1.134 -9.972 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.578 -2.214 -8.817 1.00 0.00 H new ATOM 642 N LYS A 45 7.395 1.550 -7.637 1.00 0.00 N ATOM 643 CA LYS A 45 6.831 2.828 -8.052 1.00 0.00 C ATOM 644 C LYS A 45 7.038 3.062 -9.542 1.00 0.00 C ATOM 645 O LYS A 45 7.929 2.481 -10.161 1.00 0.00 O ATOM 646 CB LYS A 45 7.455 3.996 -7.271 1.00 0.00 C ATOM 647 CG LYS A 45 8.638 3.618 -6.391 1.00 0.00 C ATOM 648 CD LYS A 45 9.848 3.219 -7.222 1.00 0.00 C ATOM 649 CE LYS A 45 11.076 4.024 -6.838 1.00 0.00 C ATOM 650 NZ LYS A 45 10.837 5.491 -6.949 1.00 0.00 N ATOM 0 H LYS A 45 8.214 1.629 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 45 5.763 2.786 -7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.777 4.758 -7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.685 4.448 -6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.898 4.459 -5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.357 2.793 -5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.051 2.157 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.630 3.368 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.365 3.780 -5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.910 3.743 -7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.718 5.966 -7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.101 5.670 -7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.525 5.862 -6.029 1.00 0.00 H new ATOM 664 N GLY A 46 6.200 3.925 -10.106 1.00 0.00 N ATOM 665 CA GLY A 46 6.286 4.240 -11.514 1.00 0.00 C ATOM 666 C GLY A 46 5.502 5.489 -11.863 1.00 0.00 C ATOM 667 O GLY A 46 4.386 5.404 -12.379 1.00 0.00 O ATOM 0 H GLY A 46 5.458 4.414 -9.605 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.331 4.378 -11.792 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.909 3.400 -12.098 1.00 0.00 H new ATOM 671 N THR A 47 6.091 6.651 -11.567 1.00 0.00 N ATOM 672 CA THR A 47 5.467 7.949 -11.837 1.00 0.00 C ATOM 673 C THR A 47 3.974 7.818 -12.139 1.00 0.00 C ATOM 674 O THR A 47 3.586 7.472 -13.254 1.00 0.00 O ATOM 675 CB THR A 47 6.169 8.638 -13.008 1.00 0.00 C ATOM 676 OG1 THR A 47 5.518 9.851 -13.343 1.00 0.00 O ATOM 677 CG2 THR A 47 6.222 7.786 -14.258 1.00 0.00 C ATOM 0 H THR A 47 7.012 6.718 -11.134 1.00 0.00 H new ATOM 0 HA THR A 47 5.573 8.552 -10.935 1.00 0.00 H new ATOM 0 HB THR A 47 7.188 8.819 -12.666 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.984 10.276 -14.093 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.733 8.334 -15.050 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.764 6.864 -14.047 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.208 7.546 -14.578 1.00 0.00 H new ATOM 685 N ASN A 48 3.145 8.100 -11.137 1.00 0.00 N ATOM 686 CA ASN A 48 1.693 8.017 -11.283 1.00 0.00 C ATOM 687 C ASN A 48 1.194 6.590 -11.065 1.00 0.00 C ATOM 688 O ASN A 48 -0.005 6.345 -11.060 1.00 0.00 O ATOM 689 CB ASN A 48 1.259 8.516 -12.666 1.00 0.00 C ATOM 690 CG ASN A 48 2.047 9.730 -13.119 1.00 0.00 C ATOM 691 OD1 ASN A 48 2.567 10.486 -12.301 1.00 0.00 O ATOM 692 ND2 ASN A 48 2.139 9.919 -14.432 1.00 0.00 N ATOM 0 H ASN A 48 3.456 8.390 -10.210 1.00 0.00 H new ATOM 0 HA ASN A 48 1.249 8.656 -10.520 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.383 7.714 -13.394 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.198 8.764 -12.643 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.658 10.718 -14.797 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.691 9.265 -15.074 1.00 0.00 H new ATOM 699 N GLU A 49 2.120 5.654 -10.883 1.00 0.00 N ATOM 700 CA GLU A 49 1.757 4.260 -10.664 1.00 0.00 C ATOM 701 C GLU A 49 2.688 3.599 -9.650 1.00 0.00 C ATOM 702 O GLU A 49 3.767 4.109 -9.355 1.00 0.00 O ATOM 703 CB GLU A 49 1.798 3.486 -11.981 1.00 0.00 C ATOM 704 CG GLU A 49 0.529 3.620 -12.806 1.00 0.00 C ATOM 705 CD GLU A 49 0.813 3.882 -14.272 1.00 0.00 C ATOM 706 OE1 GLU A 49 1.836 4.530 -14.573 1.00 0.00 O ATOM 707 OE2 GLU A 49 0.013 3.440 -15.120 1.00 0.00 O ATOM 0 H GLU A 49 3.124 5.835 -10.883 1.00 0.00 H new ATOM 0 HA GLU A 49 0.743 4.240 -10.265 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.644 3.836 -12.572 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.973 2.431 -11.768 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.060 2.708 -12.711 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.076 4.433 -12.406 1.00 0.00 H new ATOM 714 N VAL A 50 2.257 2.457 -9.125 1.00 0.00 N ATOM 715 CA VAL A 50 3.043 1.706 -8.147 1.00 0.00 C ATOM 716 C VAL A 50 2.621 0.244 -8.145 1.00 0.00 C ATOM 717 O VAL A 50 1.487 -0.079 -8.491 1.00 0.00 O ATOM 718 CB VAL A 50 2.881 2.273 -6.724 1.00 0.00 C ATOM 719 CG1 VAL A 50 3.588 1.387 -5.711 1.00 0.00 C ATOM 720 CG2 VAL A 50 3.401 3.701 -6.646 1.00 0.00 C ATOM 0 H VAL A 50 1.362 2.027 -9.361 1.00 0.00 H new ATOM 0 HA VAL A 50 4.089 1.796 -8.439 1.00 0.00 H new ATOM 0 HB VAL A 50 1.818 2.288 -6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.462 1.804 -4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.160 0.385 -5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.650 1.335 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.276 4.079 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.458 3.718 -6.912 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.842 4.330 -7.339 1.00 0.00 H new ATOM 730 N THR A 51 3.538 -0.633 -7.764 1.00 0.00 N ATOM 731 CA THR A 51 3.243 -2.057 -7.731 1.00 0.00 C ATOM 732 C THR A 51 3.797 -2.723 -6.474 1.00 0.00 C ATOM 733 O THR A 51 5.010 -2.802 -6.283 1.00 0.00 O ATOM 734 CB THR A 51 3.820 -2.736 -8.971 1.00 0.00 C ATOM 735 OG1 THR A 51 3.256 -2.190 -10.149 1.00 0.00 O ATOM 736 CG2 THR A 51 3.589 -4.232 -8.999 1.00 0.00 C ATOM 0 H THR A 51 4.485 -0.386 -7.476 1.00 0.00 H new ATOM 0 HA THR A 51 2.159 -2.170 -7.718 1.00 0.00 H new ATOM 0 HB THR A 51 4.894 -2.554 -8.926 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.514 -2.738 -10.920 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.024 -4.650 -9.907 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.058 -4.689 -8.128 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.518 -4.435 -8.983 1.00 0.00 H new ATOM 744 N LEU A 52 2.898 -3.224 -5.636 1.00 0.00 N ATOM 745 CA LEU A 52 3.285 -3.909 -4.412 1.00 0.00 C ATOM 746 C LEU A 52 3.942 -5.231 -4.760 1.00 0.00 C ATOM 747 O LEU A 52 3.435 -5.968 -5.607 1.00 0.00 O ATOM 748 CB LEU A 52 2.054 -4.172 -3.548 1.00 0.00 C ATOM 749 CG LEU A 52 1.450 -2.941 -2.883 1.00 0.00 C ATOM 750 CD1 LEU A 52 0.813 -2.028 -3.920 1.00 0.00 C ATOM 751 CD2 LEU A 52 0.432 -3.348 -1.830 1.00 0.00 C ATOM 0 H LEU A 52 1.890 -3.167 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 52 3.985 -3.282 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.290 -4.642 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.322 -4.889 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 52 2.251 -2.390 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.388 -1.155 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.570 -1.706 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.024 -2.568 -4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.012 -2.456 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.366 -3.924 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.920 -3.957 -1.069 1.00 0.00 H new ATOM 763 N LEU A 53 5.072 -5.533 -4.134 1.00 0.00 N ATOM 764 CA LEU A 53 5.758 -6.775 -4.435 1.00 0.00 C ATOM 765 C LEU A 53 5.581 -7.812 -3.330 1.00 0.00 C ATOM 766 O LEU A 53 6.156 -7.694 -2.249 1.00 0.00 O ATOM 767 CB LEU A 53 7.245 -6.520 -4.686 1.00 0.00 C ATOM 768 CG LEU A 53 7.606 -6.158 -6.130 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.062 -5.728 -6.221 1.00 0.00 C ATOM 770 CD2 LEU A 53 7.333 -7.334 -7.055 1.00 0.00 C ATOM 0 H LEU A 53 5.522 -4.948 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 53 5.306 -7.180 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.575 -5.713 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.804 -7.411 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 53 6.982 -5.322 -6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.303 -5.474 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.225 -4.857 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.704 -6.544 -5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.595 -7.061 -8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.933 -8.189 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.276 -7.596 -7.008 1.00 0.00 H new ATOM 782 N ALA A 54 4.792 -8.840 -3.626 1.00 0.00 N ATOM 783 CA ALA A 54 4.526 -9.921 -2.675 1.00 0.00 C ATOM 784 C ALA A 54 5.758 -10.309 -1.857 1.00 0.00 C ATOM 785 O ALA A 54 5.632 -10.935 -0.805 1.00 0.00 O ATOM 786 CB ALA A 54 3.989 -11.137 -3.416 1.00 0.00 C ATOM 0 H ALA A 54 4.321 -8.950 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 54 3.782 -9.552 -1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.792 -11.939 -2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.064 -10.872 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.725 -11.472 -4.146 1.00 0.00 H new ATOM 792 N SER A 55 6.941 -9.939 -2.329 1.00 0.00 N ATOM 793 CA SER A 55 8.173 -10.261 -1.616 1.00 0.00 C ATOM 794 C SER A 55 8.273 -9.442 -0.340 1.00 0.00 C ATOM 795 O SER A 55 8.586 -9.964 0.726 1.00 0.00 O ATOM 796 CB SER A 55 9.391 -10.004 -2.504 1.00 0.00 C ATOM 797 OG SER A 55 10.568 -10.539 -1.924 1.00 0.00 O ATOM 0 H SER A 55 7.075 -9.419 -3.196 1.00 0.00 H new ATOM 0 HA SER A 55 8.152 -11.319 -1.354 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.230 -10.451 -3.485 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.513 -8.932 -2.658 1.00 0.00 H new ATOM 0 HG SER A 55 11.332 -10.363 -2.512 1.00 0.00 H new ATOM 803 N TYR A 56 7.984 -8.153 -0.462 1.00 0.00 N ATOM 804 CA TYR A 56 8.014 -7.248 0.659 1.00 0.00 C ATOM 805 C TYR A 56 6.886 -7.587 1.614 1.00 0.00 C ATOM 806 O TYR A 56 7.100 -7.925 2.778 1.00 0.00 O ATOM 807 CB TYR A 56 7.848 -5.823 0.142 1.00 0.00 C ATOM 808 CG TYR A 56 7.039 -4.924 1.051 1.00 0.00 C ATOM 809 CD1 TYR A 56 7.565 -4.463 2.250 1.00 0.00 C ATOM 810 CD2 TYR A 56 5.749 -4.542 0.707 1.00 0.00 C ATOM 811 CE1 TYR A 56 6.825 -3.644 3.080 1.00 0.00 C ATOM 812 CE2 TYR A 56 5.005 -3.723 1.532 1.00 0.00 C ATOM 813 CZ TYR A 56 5.546 -3.276 2.717 1.00 0.00 C ATOM 814 OH TYR A 56 4.808 -2.462 3.542 1.00 0.00 O ATOM 0 H TYR A 56 7.723 -7.714 -1.345 1.00 0.00 H new ATOM 0 HA TYR A 56 8.963 -7.338 1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.835 -5.383 -0.001 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.369 -5.857 -0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.566 -4.749 2.538 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.321 -4.891 -0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.246 -3.293 4.010 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.003 -3.434 1.250 1.00 0.00 H new ATOM 0 HH TYR A 56 3.874 -2.760 3.546 1.00 0.00 H new ATOM 824 N LEU A 57 5.681 -7.482 1.086 1.00 0.00 N ATOM 825 CA LEU A 57 4.476 -7.769 1.853 1.00 0.00 C ATOM 826 C LEU A 57 4.602 -9.106 2.576 1.00 0.00 C ATOM 827 O LEU A 57 4.259 -9.222 3.753 1.00 0.00 O ATOM 828 CB LEU A 57 3.254 -7.780 0.925 1.00 0.00 C ATOM 829 CG LEU A 57 1.998 -7.074 1.456 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.358 -5.967 2.437 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.185 -6.508 0.302 1.00 0.00 C ATOM 0 H LEU A 57 5.507 -7.198 0.122 1.00 0.00 H new ATOM 0 HA LEU A 57 4.347 -6.987 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.536 -7.315 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.998 -8.817 0.706 1.00 0.00 H new ATOM 0 HG LEU A 57 1.398 -7.813 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.447 -5.487 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.900 -6.392 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.985 -5.228 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.297 -6.010 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.790 -5.790 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.884 -7.318 -0.363 1.00 0.00 H new ATOM 843 N ASN A 58 5.101 -10.110 1.865 1.00 0.00 N ATOM 844 CA ASN A 58 5.279 -11.438 2.441 1.00 0.00 C ATOM 845 C ASN A 58 6.324 -11.423 3.550 1.00 0.00 C ATOM 846 O ASN A 58 6.372 -12.327 4.385 1.00 0.00 O ATOM 847 CB ASN A 58 5.688 -12.436 1.358 1.00 0.00 C ATOM 848 CG ASN A 58 5.862 -13.841 1.900 1.00 0.00 C ATOM 849 OD1 ASN A 58 5.362 -14.169 2.978 1.00 0.00 O ATOM 850 ND2 ASN A 58 6.574 -14.679 1.159 1.00 0.00 N ATOM 0 H ASN A 58 5.389 -10.030 0.890 1.00 0.00 H new ATOM 0 HA ASN A 58 4.326 -11.745 2.872 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.933 -12.444 0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.621 -12.108 0.900 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.726 -15.637 1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.970 -14.366 0.273 1.00 0.00 H new ATOM 857 N THR A 59 7.176 -10.402 3.547 1.00 0.00 N ATOM 858 CA THR A 59 8.233 -10.286 4.546 1.00 0.00 C ATOM 859 C THR A 59 7.835 -9.358 5.689 1.00 0.00 C ATOM 860 O THR A 59 8.428 -9.408 6.768 1.00 0.00 O ATOM 861 CB THR A 59 9.522 -9.782 3.895 1.00 0.00 C ATOM 862 OG1 THR A 59 9.937 -10.659 2.862 1.00 0.00 O ATOM 863 CG2 THR A 59 10.669 -9.642 4.869 1.00 0.00 C ATOM 0 H THR A 59 7.155 -9.644 2.865 1.00 0.00 H new ATOM 0 HA THR A 59 8.398 -11.279 4.964 1.00 0.00 H new ATOM 0 HB THR A 59 9.281 -8.795 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.330 -10.574 2.097 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.552 -9.281 4.342 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.398 -8.933 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.886 -10.611 5.318 1.00 0.00 H new ATOM 871 N LEU A 60 6.839 -8.513 5.458 1.00 0.00 N ATOM 872 CA LEU A 60 6.389 -7.580 6.487 1.00 0.00 C ATOM 873 C LEU A 60 6.141 -8.301 7.809 1.00 0.00 C ATOM 874 O LEU A 60 5.907 -9.509 7.838 1.00 0.00 O ATOM 875 CB LEU A 60 5.122 -6.851 6.034 1.00 0.00 C ATOM 876 CG LEU A 60 5.365 -5.600 5.184 1.00 0.00 C ATOM 877 CD1 LEU A 60 4.105 -4.754 5.107 1.00 0.00 C ATOM 878 CD2 LEU A 60 6.516 -4.785 5.749 1.00 0.00 C ATOM 0 H LEU A 60 6.330 -8.453 4.576 1.00 0.00 H new ATOM 0 HA LEU A 60 7.179 -6.845 6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.505 -7.546 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.549 -6.567 6.917 1.00 0.00 H new ATOM 0 HG LEU A 60 5.630 -5.918 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.297 -3.870 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.302 -5.337 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.811 -4.447 6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.673 -3.901 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.279 -4.479 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.423 -5.390 5.753 1.00 0.00 H new ATOM 890 N PRO A 61 6.199 -7.559 8.928 1.00 0.00 N ATOM 891 CA PRO A 61 5.994 -8.118 10.268 1.00 0.00 C ATOM 892 C PRO A 61 4.749 -8.998 10.364 1.00 0.00 C ATOM 893 O PRO A 61 4.054 -9.224 9.374 1.00 0.00 O ATOM 894 CB PRO A 61 5.833 -6.873 11.143 1.00 0.00 C ATOM 895 CG PRO A 61 6.614 -5.820 10.440 1.00 0.00 C ATOM 896 CD PRO A 61 6.481 -6.112 8.970 1.00 0.00 C ATOM 0 HA PRO A 61 6.816 -8.770 10.562 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.785 -6.590 11.242 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.214 -7.044 12.150 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.230 -4.827 10.676 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.659 -5.839 10.748 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.676 -5.533 8.518 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.394 -5.866 8.428 1.00 0.00 H new ATOM 904 N GLU A 62 4.483 -9.493 11.570 1.00 0.00 N ATOM 905 CA GLU A 62 3.332 -10.350 11.818 1.00 0.00 C ATOM 906 C GLU A 62 2.031 -9.581 11.699 1.00 0.00 C ATOM 907 O GLU A 62 2.002 -8.473 11.170 1.00 0.00 O ATOM 908 CB GLU A 62 3.435 -10.988 13.204 1.00 0.00 C ATOM 909 CG GLU A 62 3.175 -10.015 14.344 1.00 0.00 C ATOM 910 CD GLU A 62 4.007 -10.324 15.574 1.00 0.00 C ATOM 911 OE1 GLU A 62 5.250 -10.346 15.462 1.00 0.00 O ATOM 912 OE2 GLU A 62 3.411 -10.545 16.650 1.00 0.00 O ATOM 0 H GLU A 62 5.055 -9.312 12.395 1.00 0.00 H new ATOM 0 HA GLU A 62 3.333 -11.133 11.059 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.723 -11.810 13.270 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.430 -11.418 13.324 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.392 -9.001 14.008 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.118 -10.044 14.608 1.00 0.00 H new ATOM 919 N ASN A 63 0.962 -10.200 12.178 1.00 0.00 N ATOM 920 CA ASN A 63 -0.364 -9.632 12.128 1.00 0.00 C ATOM 921 C ASN A 63 -0.357 -8.132 12.405 1.00 0.00 C ATOM 922 O ASN A 63 -0.827 -7.680 13.450 1.00 0.00 O ATOM 923 CB ASN A 63 -1.274 -10.336 13.136 1.00 0.00 C ATOM 924 CG ASN A 63 -1.976 -11.544 12.543 1.00 0.00 C ATOM 925 OD1 ASN A 63 -3.198 -11.556 12.392 1.00 0.00 O ATOM 926 ND2 ASN A 63 -1.202 -12.567 12.201 1.00 0.00 N ATOM 0 H ASN A 63 0.998 -11.121 12.616 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.743 -9.782 11.117 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.683 -10.650 13.996 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.020 -9.630 13.502 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.616 -13.406 11.795 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.193 -12.514 12.344 1.00 0.00 H new ATOM 933 N THR A 64 0.170 -7.369 11.461 1.00 0.00 N ATOM 934 CA THR A 64 0.237 -5.917 11.594 1.00 0.00 C ATOM 935 C THR A 64 -0.415 -5.234 10.403 1.00 0.00 C ATOM 936 O THR A 64 -0.310 -5.704 9.273 1.00 0.00 O ATOM 937 CB THR A 64 1.687 -5.451 11.720 1.00 0.00 C ATOM 938 OG1 THR A 64 2.481 -5.982 10.674 1.00 0.00 O ATOM 939 CG2 THR A 64 2.332 -5.841 13.032 1.00 0.00 C ATOM 0 H THR A 64 0.560 -7.730 10.590 1.00 0.00 H new ATOM 0 HA THR A 64 -0.304 -5.642 12.499 1.00 0.00 H new ATOM 0 HB THR A 64 1.643 -4.363 11.666 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.643 -6.935 10.837 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.360 -5.479 13.054 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.774 -5.399 13.857 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.328 -6.926 13.131 1.00 0.00 H new ATOM 947 N THR A 65 -1.095 -4.122 10.661 1.00 0.00 N ATOM 948 CA THR A 65 -1.769 -3.388 9.602 1.00 0.00 C ATOM 949 C THR A 65 -0.848 -2.381 8.950 1.00 0.00 C ATOM 950 O THR A 65 -0.977 -1.171 9.142 1.00 0.00 O ATOM 951 CB THR A 65 -3.001 -2.700 10.140 1.00 0.00 C ATOM 952 OG1 THR A 65 -3.463 -1.709 9.241 1.00 0.00 O ATOM 953 CG2 THR A 65 -2.796 -2.047 11.490 1.00 0.00 C ATOM 0 H THR A 65 -1.193 -3.713 11.590 1.00 0.00 H new ATOM 0 HA THR A 65 -2.068 -4.107 8.840 1.00 0.00 H new ATOM 0 HB THR A 65 -3.737 -3.496 10.257 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.803 -0.986 9.184 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.724 -1.574 11.810 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.504 -2.803 12.219 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.012 -1.293 11.414 1.00 0.00 H new ATOM 961 N LYS A 66 0.058 -2.903 8.160 1.00 0.00 N ATOM 962 CA LYS A 66 1.004 -2.090 7.434 1.00 0.00 C ATOM 963 C LYS A 66 0.274 -1.263 6.387 1.00 0.00 C ATOM 964 O LYS A 66 -0.321 -1.807 5.462 1.00 0.00 O ATOM 965 CB LYS A 66 2.062 -2.979 6.796 1.00 0.00 C ATOM 966 CG LYS A 66 3.469 -2.645 7.253 1.00 0.00 C ATOM 967 CD LYS A 66 4.081 -1.561 6.390 1.00 0.00 C ATOM 968 CE LYS A 66 5.590 -1.496 6.567 1.00 0.00 C ATOM 969 NZ LYS A 66 6.288 -1.191 5.290 1.00 0.00 N ATOM 0 H LYS A 66 0.161 -3.905 8.002 1.00 0.00 H new ATOM 0 HA LYS A 66 1.503 -1.405 8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.846 -4.020 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.005 -2.882 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.449 -2.318 8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.090 -3.540 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.844 -1.750 5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.641 -0.597 6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.836 -0.733 7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.950 -2.447 6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.292 -1.450 5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.852 -1.734 4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.209 -0.174 5.085 1.00 0.00 H new ATOM 983 N THR A 67 0.307 0.044 6.552 1.00 0.00 N ATOM 984 CA THR A 67 -0.375 0.941 5.632 1.00 0.00 C ATOM 985 C THR A 67 0.551 1.433 4.529 1.00 0.00 C ATOM 986 O THR A 67 1.754 1.574 4.738 1.00 0.00 O ATOM 987 CB THR A 67 -0.971 2.121 6.411 1.00 0.00 C ATOM 988 OG1 THR A 67 -2.351 1.916 6.649 1.00 0.00 O ATOM 989 CG2 THR A 67 -0.826 3.460 5.715 1.00 0.00 C ATOM 0 H THR A 67 0.798 0.512 7.314 1.00 0.00 H new ATOM 0 HA THR A 67 -1.178 0.386 5.148 1.00 0.00 H new ATOM 0 HB THR A 67 -0.400 2.157 7.339 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.858 2.133 5.839 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.273 4.241 6.331 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.231 3.678 5.563 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.332 3.425 4.750 1.00 0.00 H new ATOM 997 N LEU A 68 -0.021 1.693 3.353 1.00 0.00 N ATOM 998 CA LEU A 68 0.736 2.173 2.211 1.00 0.00 C ATOM 999 C LEU A 68 0.211 3.544 1.779 1.00 0.00 C ATOM 1000 O LEU A 68 -0.605 3.644 0.867 1.00 0.00 O ATOM 1001 CB LEU A 68 0.629 1.152 1.071 1.00 0.00 C ATOM 1002 CG LEU A 68 0.741 1.707 -0.345 1.00 0.00 C ATOM 1003 CD1 LEU A 68 1.791 0.940 -1.134 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -0.600 1.626 -1.048 1.00 0.00 C ATOM 0 H LEU A 68 -1.018 1.575 3.172 1.00 0.00 H new ATOM 0 HA LEU A 68 1.786 2.286 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.409 0.403 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.327 0.636 1.162 1.00 0.00 H new ATOM 0 HG LEU A 68 1.044 2.752 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.859 1.348 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.758 1.033 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.510 -0.112 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.506 2.025 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.923 0.586 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.337 2.208 -0.495 1.00 0.00 H new ATOM 1016 N THR A 69 0.682 4.600 2.445 1.00 0.00 N ATOM 1017 CA THR A 69 0.251 5.957 2.129 1.00 0.00 C ATOM 1018 C THR A 69 1.192 6.613 1.140 1.00 0.00 C ATOM 1019 O THR A 69 2.380 6.785 1.408 1.00 0.00 O ATOM 1020 CB THR A 69 0.169 6.812 3.398 1.00 0.00 C ATOM 1021 OG1 THR A 69 -0.145 6.012 4.521 1.00 0.00 O ATOM 1022 CG2 THR A 69 -0.858 7.917 3.310 1.00 0.00 C ATOM 0 H THR A 69 1.360 4.539 3.204 1.00 0.00 H new ATOM 0 HA THR A 69 -0.740 5.887 1.679 1.00 0.00 H new ATOM 0 HB THR A 69 1.153 7.268 3.505 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.270 6.585 5.306 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.864 8.483 4.241 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.608 8.581 2.483 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.844 7.484 3.142 1.00 0.00 H new ATOM 1030 N PHE A 70 0.649 6.985 -0.002 1.00 0.00 N ATOM 1031 CA PHE A 70 1.430 7.633 -1.033 1.00 0.00 C ATOM 1032 C PHE A 70 1.628 9.100 -0.698 1.00 0.00 C ATOM 1033 O PHE A 70 0.671 9.871 -0.650 1.00 0.00 O ATOM 1034 CB PHE A 70 0.720 7.507 -2.380 1.00 0.00 C ATOM 1035 CG PHE A 70 0.357 6.096 -2.754 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -0.761 5.488 -2.215 1.00 0.00 C ATOM 1037 CD2 PHE A 70 1.132 5.386 -3.655 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -1.099 4.196 -2.570 1.00 0.00 C ATOM 1039 CE2 PHE A 70 0.800 4.096 -4.011 1.00 0.00 C ATOM 1040 CZ PHE A 70 -0.313 3.498 -3.468 1.00 0.00 C ATOM 0 H PHE A 70 -0.334 6.848 -0.239 1.00 0.00 H new ATOM 0 HA PHE A 70 2.404 7.147 -1.091 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.187 8.110 -2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.361 7.924 -3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.376 6.028 -1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.008 5.849 -4.085 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.977 3.732 -2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.414 3.555 -4.716 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.572 2.486 -3.742 1.00 0.00 H new ATOM 1050 N ASP A 71 2.874 9.492 -0.474 1.00 0.00 N ATOM 1051 CA ASP A 71 3.170 10.878 -0.152 1.00 0.00 C ATOM 1052 C ASP A 71 2.916 11.751 -1.363 1.00 0.00 C ATOM 1053 O ASP A 71 3.814 12.054 -2.144 1.00 0.00 O ATOM 1054 CB ASP A 71 4.604 11.031 0.307 1.00 0.00 C ATOM 1055 CG ASP A 71 4.983 12.477 0.563 1.00 0.00 C ATOM 1056 OD1 ASP A 71 4.957 13.277 -0.393 1.00 0.00 O ATOM 1057 OD2 ASP A 71 5.307 12.810 1.722 1.00 0.00 O ATOM 0 H ASP A 71 3.687 8.877 -0.509 1.00 0.00 H new ATOM 0 HA ASP A 71 2.517 11.191 0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.753 10.453 1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.270 10.613 -0.448 1.00 0.00 H new ATOM 1062 N PHE A 72 1.664 12.135 -1.495 1.00 0.00 N ATOM 1063 CA PHE A 72 1.213 12.971 -2.600 1.00 0.00 C ATOM 1064 C PHE A 72 1.240 14.445 -2.209 1.00 0.00 C ATOM 1065 O PHE A 72 0.550 15.269 -2.803 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.201 12.568 -3.020 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.262 11.851 -4.342 1.00 0.00 C ATOM 1068 CD1 PHE A 72 0.536 10.754 -4.591 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -1.125 12.287 -5.334 1.00 0.00 C ATOM 1070 CE1 PHE A 72 0.481 10.102 -5.804 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -1.187 11.637 -6.550 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.379 10.542 -6.786 1.00 0.00 C ATOM 0 H PHE A 72 0.925 11.879 -0.841 1.00 0.00 H new ATOM 0 HA PHE A 72 1.892 12.824 -3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.630 11.927 -2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.823 13.462 -3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.212 10.402 -3.826 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.756 13.145 -5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.113 9.245 -5.985 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.866 11.984 -7.315 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.421 10.032 -7.737 1.00 0.00 H new ATOM 1082 N GLY A 73 2.044 14.768 -1.199 1.00 0.00 N ATOM 1083 CA GLY A 73 2.147 16.143 -0.745 1.00 0.00 C ATOM 1084 C GLY A 73 0.824 16.706 -0.260 1.00 0.00 C ATOM 1085 O GLY A 73 0.713 17.905 0.000 1.00 0.00 O ATOM 0 H GLY A 73 2.625 14.103 -0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.878 16.200 0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.523 16.762 -1.560 1.00 0.00 H new ATOM 1089 N VAL A 74 -0.178 15.845 -0.140 1.00 0.00 N ATOM 1090 CA VAL A 74 -1.494 16.275 0.314 1.00 0.00 C ATOM 1091 C VAL A 74 -1.714 15.898 1.776 1.00 0.00 C ATOM 1092 O VAL A 74 -2.324 16.650 2.536 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.617 15.658 -0.539 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -2.406 15.981 -2.008 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.695 14.154 -0.320 1.00 0.00 C ATOM 0 H VAL A 74 -0.106 14.849 -0.350 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.528 17.359 0.208 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.566 16.093 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.209 15.537 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.409 17.062 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.449 15.576 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.495 13.738 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.747 13.696 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.899 13.949 0.731 1.00 0.00 H new ATOM 1105 N GLY A 75 -1.204 14.733 2.162 1.00 0.00 N ATOM 1106 CA GLY A 75 -1.346 14.278 3.535 1.00 0.00 C ATOM 1107 C GLY A 75 -2.786 14.047 3.940 1.00 0.00 C ATOM 1108 O GLY A 75 -3.239 12.909 4.044 1.00 0.00 O ATOM 0 H GLY A 75 -0.695 14.095 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.786 13.352 3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.901 15.015 4.203 1.00 0.00 H new ATOM 1112 N THR A 76 -3.496 15.136 4.179 1.00 0.00 N ATOM 1113 CA THR A 76 -4.892 15.075 4.591 1.00 0.00 C ATOM 1114 C THR A 76 -5.688 14.112 3.716 1.00 0.00 C ATOM 1115 O THR A 76 -6.194 13.096 4.193 1.00 0.00 O ATOM 1116 CB THR A 76 -5.521 16.465 4.530 1.00 0.00 C ATOM 1117 OG1 THR A 76 -4.818 17.371 5.366 1.00 0.00 O ATOM 1118 CG2 THR A 76 -6.976 16.487 4.952 1.00 0.00 C ATOM 0 H THR A 76 -3.126 16.083 4.094 1.00 0.00 H new ATOM 0 HA THR A 76 -4.920 14.708 5.617 1.00 0.00 H new ATOM 0 HB THR A 76 -5.460 16.762 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.235 18.256 5.312 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.359 17.505 4.885 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.555 15.837 4.296 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.062 16.134 5.980 1.00 0.00 H new ATOM 1126 N LYS A 77 -5.800 14.443 2.436 1.00 0.00 N ATOM 1127 CA LYS A 77 -6.539 13.617 1.493 1.00 0.00 C ATOM 1128 C LYS A 77 -5.629 12.582 0.838 1.00 0.00 C ATOM 1129 O LYS A 77 -5.996 11.966 -0.156 1.00 0.00 O ATOM 1130 CB LYS A 77 -7.199 14.486 0.425 1.00 0.00 C ATOM 1131 CG LYS A 77 -6.231 15.413 -0.284 1.00 0.00 C ATOM 1132 CD LYS A 77 -6.529 16.871 0.017 1.00 0.00 C ATOM 1133 CE LYS A 77 -5.307 17.585 0.572 1.00 0.00 C ATOM 1134 NZ LYS A 77 -5.660 18.888 1.199 1.00 0.00 N ATOM 0 H LYS A 77 -5.387 15.281 2.027 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.314 13.088 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.678 13.841 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.987 15.081 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.212 15.179 0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.287 15.244 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.862 17.371 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.347 16.936 0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.819 16.948 1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.589 17.752 -0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.799 19.342 1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.103 19.506 0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.326 18.728 1.982 1.00 0.00 H new ATOM 1148 N ASN A 78 -4.441 12.400 1.403 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.483 11.443 0.868 1.00 0.00 C ATOM 1150 C ASN A 78 -3.971 10.008 1.066 1.00 0.00 C ATOM 1151 O ASN A 78 -4.098 9.536 2.195 1.00 0.00 O ATOM 1152 CB ASN A 78 -2.119 11.626 1.538 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.132 10.535 1.168 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -1.459 9.611 0.423 1.00 0.00 O ATOM 1155 ND2 ASN A 78 0.082 10.638 1.687 1.00 0.00 N ATOM 0 H ASN A 78 -4.119 12.902 2.230 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.384 11.628 -0.202 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.707 12.594 1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.250 11.640 2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.789 9.935 1.474 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.310 11.421 2.300 1.00 0.00 H new ATOM 1162 N PRO A 79 -4.253 9.294 -0.035 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.727 7.909 0.019 1.00 0.00 C ATOM 1164 C PRO A 79 -3.780 7.007 0.806 1.00 0.00 C ATOM 1165 O PRO A 79 -2.772 6.535 0.276 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.782 7.467 -1.446 1.00 0.00 C ATOM 1167 CG PRO A 79 -4.040 8.513 -2.213 1.00 0.00 C ATOM 1168 CD PRO A 79 -4.133 9.779 -1.413 1.00 0.00 C ATOM 0 HA PRO A 79 -5.690 7.839 0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.323 6.487 -1.577 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.812 7.385 -1.792 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.000 8.222 -2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.474 8.648 -3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.250 10.405 -1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.995 10.378 -1.706 1.00 0.00 H new ATOM 1176 N LYS A 80 -4.112 6.770 2.069 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.296 5.921 2.932 1.00 0.00 C ATOM 1178 C LYS A 80 -3.853 4.500 2.953 1.00 0.00 C ATOM 1179 O LYS A 80 -4.864 4.235 3.605 1.00 0.00 O ATOM 1180 CB LYS A 80 -3.249 6.478 4.357 1.00 0.00 C ATOM 1181 CG LYS A 80 -3.732 7.917 4.477 1.00 0.00 C ATOM 1182 CD LYS A 80 -3.613 8.427 5.904 1.00 0.00 C ATOM 1183 CE LYS A 80 -3.151 9.875 5.941 1.00 0.00 C ATOM 1184 NZ LYS A 80 -3.825 10.646 7.021 1.00 0.00 N ATOM 0 H LYS A 80 -4.942 7.154 2.520 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.283 5.905 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.858 5.846 5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.225 6.418 4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.149 8.554 3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.770 7.982 4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.577 8.339 6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.909 7.805 6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.072 9.908 6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.354 10.345 4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.482 11.628 7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.853 10.637 6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.611 10.213 7.942 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.198 3.591 2.242 1.00 0.00 N ATOM 1199 CA LEU A 81 -3.642 2.208 2.188 1.00 0.00 C ATOM 1200 C LEU A 81 -3.389 1.507 3.512 1.00 0.00 C ATOM 1201 O LEU A 81 -2.437 1.827 4.218 1.00 0.00 O ATOM 1202 CB LEU A 81 -2.925 1.464 1.059 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.637 1.494 -0.288 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -4.882 0.623 -0.256 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -3.988 2.924 -0.670 1.00 0.00 C ATOM 0 H LEU A 81 -2.359 3.788 1.696 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.714 2.203 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.930 1.893 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.790 0.425 1.358 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.963 1.092 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.376 0.658 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.601 -0.405 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.564 0.991 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.496 2.929 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.644 3.352 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.076 3.517 -0.737 1.00 0.00 H new ATOM 1217 N THR A 82 -4.241 0.550 3.845 1.00 0.00 N ATOM 1218 CA THR A 82 -4.085 -0.184 5.088 1.00 0.00 C ATOM 1219 C THR A 82 -3.972 -1.682 4.813 1.00 0.00 C ATOM 1220 O THR A 82 -4.983 -2.374 4.664 1.00 0.00 O ATOM 1221 CB THR A 82 -5.258 0.089 6.028 1.00 0.00 C ATOM 1222 OG1 THR A 82 -5.771 1.392 5.820 1.00 0.00 O ATOM 1223 CG2 THR A 82 -4.894 -0.031 7.492 1.00 0.00 C ATOM 0 H THR A 82 -5.040 0.266 3.277 1.00 0.00 H new ATOM 0 HA THR A 82 -3.168 0.155 5.570 1.00 0.00 H new ATOM 0 HB THR A 82 -6.001 -0.673 5.792 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.257 1.420 4.969 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.772 0.175 8.103 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.538 -1.041 7.697 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.109 0.686 7.732 1.00 0.00 H new ATOM 1231 N ILE A 83 -2.740 -2.169 4.740 1.00 0.00 N ATOM 1232 CA ILE A 83 -2.492 -3.582 4.474 1.00 0.00 C ATOM 1233 C ILE A 83 -2.241 -4.362 5.761 1.00 0.00 C ATOM 1234 O ILE A 83 -1.283 -4.097 6.492 1.00 0.00 O ATOM 1235 CB ILE A 83 -1.289 -3.773 3.530 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -1.455 -2.905 2.276 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -1.129 -5.245 3.173 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -1.386 -3.672 0.972 1.00 0.00 C ATOM 0 H ILE A 83 -1.897 -1.608 4.861 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.391 -3.969 3.995 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.380 -3.452 4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.414 -2.389 2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.680 -2.138 2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.276 -5.367 2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.965 -5.824 4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.032 -5.599 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.513 -2.983 0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.418 -4.166 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.178 -4.420 0.948 1.00 0.00 H new ATOM 1250 N THR A 84 -3.107 -5.337 6.024 1.00 0.00 N ATOM 1251 CA THR A 84 -2.985 -6.170 7.210 1.00 0.00 C ATOM 1252 C THR A 84 -2.203 -7.439 6.896 1.00 0.00 C ATOM 1253 O THR A 84 -2.716 -8.350 6.250 1.00 0.00 O ATOM 1254 CB THR A 84 -4.367 -6.530 7.755 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.294 -5.487 7.496 1.00 0.00 O ATOM 1256 CG2 THR A 84 -4.375 -6.791 9.245 1.00 0.00 C ATOM 0 H THR A 84 -3.902 -5.568 5.428 1.00 0.00 H new ATOM 0 HA THR A 84 -2.444 -5.604 7.968 1.00 0.00 H new ATOM 0 HB THR A 84 -4.650 -7.449 7.241 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.081 -5.600 8.068 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.387 -7.041 9.565 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.707 -7.622 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.037 -5.899 9.772 1.00 0.00 H new ATOM 1264 N VAL A 85 -0.956 -7.487 7.355 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.103 -8.646 7.120 1.00 0.00 C ATOM 1266 C VAL A 85 -0.155 -9.611 8.297 1.00 0.00 C ATOM 1267 O VAL A 85 0.399 -9.337 9.360 1.00 0.00 O ATOM 1268 CB VAL A 85 1.366 -8.241 6.872 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.800 -8.639 5.469 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.570 -6.748 7.090 1.00 0.00 C ATOM 0 H VAL A 85 -0.515 -6.739 7.890 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.487 -9.136 6.225 1.00 0.00 H new ATOM 0 HB VAL A 85 1.987 -8.773 7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.838 -8.346 5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.706 -9.719 5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.167 -8.138 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.614 -6.493 6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.935 -6.190 6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.307 -6.491 8.116 1.00 0.00 H new ATOM 1280 N LEU A 86 -0.833 -10.739 8.103 1.00 0.00 N ATOM 1281 CA LEU A 86 -0.958 -11.740 9.154 1.00 0.00 C ATOM 1282 C LEU A 86 -0.458 -13.105 8.686 1.00 0.00 C ATOM 1283 O LEU A 86 -1.239 -13.945 8.247 1.00 0.00 O ATOM 1284 CB LEU A 86 -2.412 -11.847 9.615 1.00 0.00 C ATOM 1285 CG LEU A 86 -3.442 -11.967 8.490 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -3.863 -13.416 8.304 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -4.652 -11.093 8.782 1.00 0.00 C ATOM 0 H LEU A 86 -1.302 -10.981 7.230 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.338 -11.421 9.992 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.507 -12.715 10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.652 -10.969 10.215 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.983 -11.622 7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.596 -13.482 7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.991 -14.019 8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.305 -13.788 9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.375 -11.190 7.972 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.112 -11.409 9.718 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.338 -10.053 8.865 1.00 0.00 H new