USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 534 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 61 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 62 THR OG1 : rot -5:sc= 0.838 USER MOD Set 2.1: A 27 MET CE :methyl -106:sc= -4.02! (180deg=-6.09!) USER MOD Set 2.2: A 68 HIS : no HD1:sc= -3.65 K(o=-7.7,f=-6.7) USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ILE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -22.9! C(o=-23!,f=-21!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0384 USER MOD Single : A 8 THR OG1 : rot -18:sc= 0.499 USER MOD Single : A 9 SER OG : rot 35:sc= 1.18 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -93:sc= -0.663 USER MOD Single : A 21 ASN : amide:sc= -3.12! C(o=-3.1!,f=-7.4!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 34:sc= 0.448 USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= -1.68 (180deg=-1.72) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 137:sc= -1.08 (180deg=-3.37!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.972 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -2.21 K(o=-2.2,f=-8.2!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -4.042 14.140 -4.006 1.00 0.00 N ATOM 2 CA ILE A 1 -3.240 12.894 -3.899 1.00 0.00 C ATOM 3 C ILE A 1 -2.426 12.877 -2.607 1.00 0.00 C ATOM 4 O ILE A 1 -1.714 13.832 -2.296 1.00 0.00 O ATOM 5 CB ILE A 1 -2.294 12.734 -5.112 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.813 11.284 -5.231 1.00 0.00 C ATOM 7 CG2 ILE A 1 -1.113 13.692 -5.012 1.00 0.00 C ATOM 8 CD1 ILE A 1 -0.856 10.860 -4.137 1.00 0.00 C ATOM 0 H1 ILE A 1 -4.586 14.128 -4.892 1.00 0.00 H new ATOM 0 H2 ILE A 1 -4.695 14.203 -3.199 1.00 0.00 H new ATOM 0 H3 ILE A 1 -3.407 14.963 -4.001 1.00 0.00 H new ATOM 0 HA ILE A 1 -3.939 12.058 -3.887 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.852 12.984 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -2.679 10.623 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -1.326 11.152 -6.197 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -0.463 13.560 -5.877 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.478 14.719 -4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -0.552 13.484 -4.101 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -0.563 9.822 -4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 1 0.030 11.495 -4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -1.345 10.957 -3.168 1.00 0.00 H new ATOM 22 N VAL A 2 -2.534 11.780 -1.863 1.00 0.00 N ATOM 23 CA VAL A 2 -1.804 11.623 -0.600 1.00 0.00 C ATOM 24 C VAL A 2 -1.678 10.138 -0.293 1.00 0.00 C ATOM 25 O VAL A 2 -1.528 9.345 -1.224 1.00 0.00 O ATOM 26 CB VAL A 2 -2.500 12.352 0.577 1.00 0.00 C ATOM 27 CG1 VAL A 2 -1.485 12.719 1.651 1.00 0.00 C ATOM 28 CG2 VAL A 2 -3.240 13.595 0.097 1.00 0.00 C ATOM 0 H VAL A 2 -3.120 10.983 -2.110 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.820 12.077 -0.715 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.234 11.670 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.991 13.230 2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.010 11.813 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.727 13.377 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.718 14.084 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.533 14.283 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.999 13.308 -0.631 1.00 0.00 H new ATOM 38 N CYS A 3 -1.780 9.718 0.975 1.00 0.00 N ATOM 39 CA CYS A 3 -1.711 8.300 1.240 1.00 0.00 C ATOM 40 C CYS A 3 -3.113 7.746 1.258 1.00 0.00 C ATOM 41 O CYS A 3 -3.897 7.948 2.182 1.00 0.00 O ATOM 42 CB CYS A 3 -0.960 7.953 2.504 1.00 0.00 C ATOM 43 SG CYS A 3 -0.597 6.171 2.635 1.00 0.00 S ATOM 0 H CYS A 3 -1.905 10.318 1.790 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.133 7.837 0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.026 8.514 2.533 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.546 8.265 3.368 1.00 0.00 H new ATOM 48 N HIS A 4 -3.404 7.088 0.178 1.00 0.00 N ATOM 49 CA HIS A 4 -4.705 6.497 -0.075 1.00 0.00 C ATOM 50 C HIS A 4 -4.790 5.095 0.496 1.00 0.00 C ATOM 51 O HIS A 4 -3.780 4.517 0.895 1.00 0.00 O ATOM 52 CB HIS A 4 -4.939 6.455 -1.579 1.00 0.00 C ATOM 53 CG HIS A 4 -3.660 6.305 -2.342 1.00 0.00 C ATOM 54 ND1 HIS A 4 -3.240 7.198 -3.299 1.00 0.00 N ATOM 55 CD2 HIS A 4 -2.681 5.382 -2.239 1.00 0.00 C ATOM 56 CE1 HIS A 4 -2.055 6.835 -3.751 1.00 0.00 C ATOM 57 NE2 HIS A 4 -1.692 5.735 -3.124 1.00 0.00 N ATOM 0 H HIS A 4 -2.735 6.937 -0.577 1.00 0.00 H new ATOM 0 HA HIS A 4 -5.469 7.103 0.411 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.604 5.625 -1.819 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -5.443 7.369 -1.893 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -3.764 8.015 -3.612 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.676 4.525 -1.582 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -1.481 7.351 -4.506 1.00 0.00 H new ATOM 66 N THR A 5 -6.005 4.555 0.531 1.00 0.00 N ATOM 67 CA THR A 5 -6.237 3.215 1.056 1.00 0.00 C ATOM 68 C THR A 5 -7.725 2.984 1.295 1.00 0.00 C ATOM 69 O THR A 5 -8.521 3.922 1.258 1.00 0.00 O ATOM 70 CB THR A 5 -5.462 3.025 2.358 1.00 0.00 C ATOM 71 OG1 THR A 5 -5.859 1.833 3.013 1.00 0.00 O ATOM 72 CG2 THR A 5 -5.649 4.172 3.331 1.00 0.00 C ATOM 0 H THR A 5 -6.846 5.028 0.200 1.00 0.00 H new ATOM 0 HA THR A 5 -5.888 2.488 0.323 1.00 0.00 H new ATOM 0 HB THR A 5 -4.412 2.979 2.068 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.349 1.731 3.843 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.074 3.979 4.236 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.303 5.098 2.872 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.705 4.265 3.585 1.00 0.00 H new ATOM 80 N THR A 6 -8.095 1.733 1.542 1.00 0.00 N ATOM 81 CA THR A 6 -9.490 1.386 1.790 1.00 0.00 C ATOM 82 C THR A 6 -9.808 1.448 3.282 1.00 0.00 C ATOM 83 O THR A 6 -10.424 0.536 3.835 1.00 0.00 O ATOM 84 CB THR A 6 -9.795 -0.011 1.246 1.00 0.00 C ATOM 85 OG1 THR A 6 -8.652 -0.843 1.333 1.00 0.00 O ATOM 86 CG2 THR A 6 -10.249 -0.004 -0.198 1.00 0.00 C ATOM 0 H THR A 6 -7.450 0.943 1.576 1.00 0.00 H new ATOM 0 HA THR A 6 -10.118 2.112 1.273 1.00 0.00 H new ATOM 0 HB THR A 6 -10.608 -0.391 1.864 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.867 -1.732 0.982 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.449 -1.026 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.158 0.590 -0.291 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.468 0.428 -0.823 1.00 0.00 H new ATOM 94 N ALA A 7 -9.386 2.530 3.928 1.00 0.00 N ATOM 95 CA ALA A 7 -9.627 2.712 5.352 1.00 0.00 C ATOM 96 C ALA A 7 -11.095 3.027 5.623 1.00 0.00 C ATOM 97 O ALA A 7 -11.810 2.229 6.232 1.00 0.00 O ATOM 98 CB ALA A 7 -8.740 3.821 5.897 1.00 0.00 C ATOM 0 H ALA A 7 -8.875 3.294 3.486 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.381 1.780 5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.929 3.948 6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.693 3.559 5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.961 4.753 5.376 1.00 0.00 H new ATOM 104 N THR A 8 -11.537 4.192 5.164 1.00 0.00 N ATOM 105 CA THR A 8 -12.919 4.618 5.352 1.00 0.00 C ATOM 106 C THR A 8 -13.281 5.727 4.370 1.00 0.00 C ATOM 107 O THR A 8 -14.142 5.551 3.507 1.00 0.00 O ATOM 108 CB THR A 8 -13.137 5.097 6.788 1.00 0.00 C ATOM 109 OG1 THR A 8 -12.809 4.076 7.713 1.00 0.00 O ATOM 110 CG2 THR A 8 -14.562 5.526 7.068 1.00 0.00 C ATOM 0 H THR A 8 -10.956 4.860 4.657 1.00 0.00 H new ATOM 0 HA THR A 8 -13.568 3.763 5.162 1.00 0.00 H new ATOM 0 HB THR A 8 -12.484 5.962 6.904 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.786 3.212 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.646 5.854 8.104 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.832 6.348 6.404 1.00 0.00 H new ATOM 0 HG23 THR A 8 -15.235 4.686 6.897 1.00 0.00 H new ATOM 118 N SER A 9 -12.614 6.868 4.504 1.00 0.00 N ATOM 119 CA SER A 9 -12.859 8.006 3.628 1.00 0.00 C ATOM 120 C SER A 9 -11.875 9.137 3.922 1.00 0.00 C ATOM 121 O SER A 9 -11.063 9.499 3.072 1.00 0.00 O ATOM 122 CB SER A 9 -14.297 8.503 3.787 1.00 0.00 C ATOM 123 OG SER A 9 -15.154 7.893 2.837 1.00 0.00 O ATOM 0 H SER A 9 -11.898 7.029 5.213 1.00 0.00 H new ATOM 0 HA SER A 9 -12.712 7.680 2.598 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.651 8.285 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.327 9.586 3.666 1.00 0.00 H new ATOM 0 HG SER A 9 -14.860 6.972 2.675 1.00 0.00 H new ATOM 129 N PRO A 10 -11.930 9.711 5.139 1.00 0.00 N ATOM 130 CA PRO A 10 -11.031 10.800 5.534 1.00 0.00 C ATOM 131 C PRO A 10 -9.575 10.352 5.609 1.00 0.00 C ATOM 132 O PRO A 10 -8.661 11.175 5.568 1.00 0.00 O ATOM 133 CB PRO A 10 -11.538 11.205 6.922 1.00 0.00 C ATOM 134 CG PRO A 10 -12.269 10.009 7.429 1.00 0.00 C ATOM 135 CD PRO A 10 -12.861 9.342 6.219 1.00 0.00 C ATOM 0 HA PRO A 10 -11.042 11.615 4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.712 11.472 7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.194 12.074 6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.595 9.334 7.956 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.047 10.298 8.135 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.922 8.261 6.345 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.872 9.697 6.018 1.00 0.00 H new ATOM 143 N ILE A 11 -9.364 9.043 5.714 1.00 0.00 N ATOM 144 CA ILE A 11 -8.016 8.491 5.789 1.00 0.00 C ATOM 145 C ILE A 11 -7.283 8.688 4.466 1.00 0.00 C ATOM 146 O ILE A 11 -6.440 9.576 4.342 1.00 0.00 O ATOM 147 CB ILE A 11 -8.042 6.987 6.150 1.00 0.00 C ATOM 148 CG1 ILE A 11 -8.477 6.797 7.605 1.00 0.00 C ATOM 149 CG2 ILE A 11 -6.677 6.348 5.919 1.00 0.00 C ATOM 150 CD1 ILE A 11 -9.871 7.310 7.892 1.00 0.00 C ATOM 0 H ILE A 11 -10.108 8.346 5.749 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.486 9.026 6.578 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.764 6.494 5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.431 5.737 7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.769 7.309 8.257 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.721 5.291 6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.400 6.451 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.933 6.845 6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.112 7.142 8.942 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.918 8.377 7.675 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.589 6.781 7.266 1.00 0.00 H new ATOM 162 N SER A 12 -7.611 7.853 3.480 1.00 0.00 N ATOM 163 CA SER A 12 -6.989 7.926 2.158 1.00 0.00 C ATOM 164 C SER A 12 -6.760 9.374 1.717 1.00 0.00 C ATOM 165 O SER A 12 -5.797 9.670 1.007 1.00 0.00 O ATOM 166 CB SER A 12 -7.861 7.206 1.127 1.00 0.00 C ATOM 167 OG SER A 12 -9.171 7.746 1.099 1.00 0.00 O ATOM 0 H SER A 12 -8.308 7.114 3.573 1.00 0.00 H new ATOM 0 HA SER A 12 -6.017 7.437 2.225 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.408 7.292 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.908 6.143 1.365 1.00 0.00 H new ATOM 0 HG SER A 12 -9.707 7.269 0.431 1.00 0.00 H new ATOM 173 N ALA A 13 -7.646 10.272 2.141 1.00 0.00 N ATOM 174 CA ALA A 13 -7.538 11.685 1.789 1.00 0.00 C ATOM 175 C ALA A 13 -6.158 12.242 2.144 1.00 0.00 C ATOM 176 O ALA A 13 -5.261 12.266 1.306 1.00 0.00 O ATOM 177 CB ALA A 13 -8.634 12.486 2.477 1.00 0.00 C ATOM 0 H ALA A 13 -8.448 10.046 2.730 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.664 11.775 0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.541 13.538 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.609 12.114 2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.538 12.380 3.558 1.00 0.00 H new ATOM 183 N VAL A 14 -5.994 12.682 3.391 1.00 0.00 N ATOM 184 CA VAL A 14 -4.720 13.230 3.850 1.00 0.00 C ATOM 185 C VAL A 14 -3.884 12.153 4.537 1.00 0.00 C ATOM 186 O VAL A 14 -2.654 12.213 4.549 1.00 0.00 O ATOM 187 CB VAL A 14 -4.933 14.405 4.825 1.00 0.00 C ATOM 188 CG1 VAL A 14 -5.674 15.540 4.138 1.00 0.00 C ATOM 189 CG2 VAL A 14 -5.683 13.943 6.066 1.00 0.00 C ATOM 0 H VAL A 14 -6.727 12.669 4.100 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.190 13.595 2.970 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.956 14.775 5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.815 16.361 4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.093 15.890 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.646 15.185 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.823 14.787 6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.655 13.545 5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.108 13.166 6.570 1.00 0.00 H new ATOM 199 N THR A 15 -4.573 11.169 5.103 1.00 0.00 N ATOM 200 CA THR A 15 -3.931 10.057 5.794 1.00 0.00 C ATOM 201 C THR A 15 -3.167 10.516 7.036 1.00 0.00 C ATOM 202 O THR A 15 -3.117 11.707 7.344 1.00 0.00 O ATOM 203 CB THR A 15 -3.007 9.288 4.858 1.00 0.00 C ATOM 204 OG1 THR A 15 -3.105 9.776 3.529 1.00 0.00 O ATOM 205 CG2 THR A 15 -3.319 7.803 4.839 1.00 0.00 C ATOM 0 H THR A 15 -5.592 11.119 5.096 1.00 0.00 H new ATOM 0 HA THR A 15 -4.727 9.390 6.124 1.00 0.00 H new ATOM 0 HB THR A 15 -1.998 9.437 5.241 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.766 9.248 3.034 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.635 7.296 4.158 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.202 7.394 5.842 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.345 7.651 4.503 1.00 0.00 H new ATOM 213 N CYS A 16 -2.578 9.553 7.751 1.00 0.00 N ATOM 214 CA CYS A 16 -1.821 9.844 8.968 1.00 0.00 C ATOM 215 C CYS A 16 -0.738 10.890 8.704 1.00 0.00 C ATOM 216 O CYS A 16 -0.682 11.921 9.375 1.00 0.00 O ATOM 217 CB CYS A 16 -1.221 8.538 9.548 1.00 0.00 C ATOM 218 SG CYS A 16 0.592 8.530 9.838 1.00 0.00 S ATOM 0 H CYS A 16 -2.612 8.564 7.506 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.501 10.264 9.709 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.719 8.324 10.494 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.462 7.720 8.869 1.00 0.00 H new ATOM 223 N PRO A 17 0.152 10.628 7.734 1.00 0.00 N ATOM 224 CA PRO A 17 1.247 11.507 7.384 1.00 0.00 C ATOM 225 C PRO A 17 1.007 12.253 6.075 1.00 0.00 C ATOM 226 O PRO A 17 0.284 11.772 5.202 1.00 0.00 O ATOM 227 CB PRO A 17 2.380 10.495 7.206 1.00 0.00 C ATOM 228 CG PRO A 17 1.702 9.201 6.816 1.00 0.00 C ATOM 229 CD PRO A 17 0.213 9.434 6.902 1.00 0.00 C ATOM 0 HA PRO A 17 1.421 12.291 8.121 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.080 10.820 6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.951 10.378 8.127 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.988 8.906 5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.004 8.392 7.482 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.234 9.595 5.921 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.308 8.591 7.356 1.00 0.00 H new ATOM 237 N PRO A 18 1.625 13.434 5.911 1.00 0.00 N ATOM 238 CA PRO A 18 1.486 14.225 4.695 1.00 0.00 C ATOM 239 C PRO A 18 2.401 13.707 3.577 1.00 0.00 C ATOM 240 O PRO A 18 2.014 12.812 2.828 1.00 0.00 O ATOM 241 CB PRO A 18 1.879 15.632 5.148 1.00 0.00 C ATOM 242 CG PRO A 18 2.821 15.430 6.291 1.00 0.00 C ATOM 243 CD PRO A 18 2.517 14.077 6.893 1.00 0.00 C ATOM 0 HA PRO A 18 0.483 14.183 4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.355 16.187 4.339 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.004 16.205 5.456 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.855 15.474 5.949 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.697 16.218 7.034 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.426 13.496 7.045 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.034 14.174 7.866 1.00 0.00 H new ATOM 251 N GLY A 19 3.618 14.259 3.482 1.00 0.00 N ATOM 252 CA GLY A 19 4.578 13.833 2.469 1.00 0.00 C ATOM 253 C GLY A 19 3.936 13.339 1.182 1.00 0.00 C ATOM 254 O GLY A 19 3.241 14.090 0.497 1.00 0.00 O ATOM 0 H GLY A 19 3.956 15.000 4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.240 14.667 2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.199 13.038 2.882 1.00 0.00 H new ATOM 258 N GLU A 20 4.173 12.071 0.861 1.00 0.00 N ATOM 259 CA GLU A 20 3.619 11.468 -0.347 1.00 0.00 C ATOM 260 C GLU A 20 3.709 9.945 -0.288 1.00 0.00 C ATOM 261 O GLU A 20 2.769 9.245 -0.666 1.00 0.00 O ATOM 262 CB GLU A 20 4.347 11.986 -1.589 1.00 0.00 C ATOM 263 CG GLU A 20 5.853 12.101 -1.412 1.00 0.00 C ATOM 264 CD GLU A 20 6.570 12.404 -2.714 1.00 0.00 C ATOM 265 OE1 GLU A 20 6.085 11.959 -3.776 1.00 0.00 O ATOM 266 OE2 GLU A 20 7.615 13.086 -2.671 1.00 0.00 O ATOM 0 H GLU A 20 4.746 11.440 1.421 1.00 0.00 H new ATOM 0 HA GLU A 20 2.568 11.750 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.138 11.319 -2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.945 12.964 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.072 12.887 -0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.239 11.170 -0.997 1.00 0.00 H new ATOM 273 N ASN A 21 4.842 9.435 0.190 1.00 0.00 N ATOM 274 CA ASN A 21 5.045 7.995 0.297 1.00 0.00 C ATOM 275 C ASN A 21 4.759 7.508 1.714 1.00 0.00 C ATOM 276 O ASN A 21 4.819 6.312 1.992 1.00 0.00 O ATOM 277 CB ASN A 21 6.480 7.622 -0.091 1.00 0.00 C ATOM 278 CG ASN A 21 7.172 8.702 -0.904 1.00 0.00 C ATOM 279 OD1 ASN A 21 8.240 9.187 -0.531 1.00 0.00 O ATOM 280 ND2 ASN A 21 6.565 9.083 -2.022 1.00 0.00 N ATOM 0 H ASN A 21 5.631 9.998 0.508 1.00 0.00 H new ATOM 0 HA ASN A 21 4.350 7.511 -0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.057 7.429 0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.467 6.695 -0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.984 9.804 -2.609 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.680 8.654 -2.294 1.00 0.00 H new ATOM 287 N LEU A 22 4.456 8.443 2.608 1.00 0.00 N ATOM 288 CA LEU A 22 4.173 8.114 3.995 1.00 0.00 C ATOM 289 C LEU A 22 2.893 7.287 4.104 1.00 0.00 C ATOM 290 O LEU A 22 1.921 7.533 3.391 1.00 0.00 O ATOM 291 CB LEU A 22 4.040 9.396 4.829 1.00 0.00 C ATOM 292 CG LEU A 22 5.161 10.454 4.706 1.00 0.00 C ATOM 293 CD1 LEU A 22 5.722 10.793 6.079 1.00 0.00 C ATOM 294 CD2 LEU A 22 6.287 10.013 3.774 1.00 0.00 C ATOM 0 H LEU A 22 4.401 9.438 2.393 1.00 0.00 H new ATOM 0 HA LEU A 22 5.003 7.522 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.097 9.874 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.965 9.108 5.877 1.00 0.00 H new ATOM 0 HG LEU A 22 4.709 11.343 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.510 11.539 5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.926 11.190 6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.132 9.893 6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.046 10.794 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.735 9.095 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.885 9.835 2.777 1.00 0.00 H new ATOM 306 N CYS A 23 2.909 6.295 4.995 1.00 0.00 N ATOM 307 CA CYS A 23 1.759 5.410 5.201 1.00 0.00 C ATOM 308 C CYS A 23 1.633 4.451 4.015 1.00 0.00 C ATOM 309 O CYS A 23 0.618 3.788 3.811 1.00 0.00 O ATOM 310 CB CYS A 23 0.494 6.253 5.440 1.00 0.00 C ATOM 311 SG CYS A 23 -1.011 5.717 4.566 1.00 0.00 S ATOM 0 H CYS A 23 3.710 6.082 5.589 1.00 0.00 H new ATOM 0 HA CYS A 23 1.899 4.796 6.090 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.284 6.259 6.510 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.709 7.282 5.151 1.00 0.00 H new ATOM 316 N TYR A 24 2.717 4.396 3.258 1.00 0.00 N ATOM 317 CA TYR A 24 2.861 3.546 2.074 1.00 0.00 C ATOM 318 C TYR A 24 2.140 2.211 2.205 1.00 0.00 C ATOM 319 O TYR A 24 1.738 1.801 3.293 1.00 0.00 O ATOM 320 CB TYR A 24 4.350 3.298 1.837 1.00 0.00 C ATOM 321 CG TYR A 24 5.114 2.992 3.114 1.00 0.00 C ATOM 322 CD1 TYR A 24 5.594 4.010 3.935 1.00 0.00 C ATOM 323 CD2 TYR A 24 5.351 1.680 3.503 1.00 0.00 C ATOM 324 CE1 TYR A 24 6.286 3.726 5.097 1.00 0.00 C ATOM 325 CE2 TYR A 24 6.042 1.389 4.663 1.00 0.00 C ATOM 326 CZ TYR A 24 6.507 2.414 5.456 1.00 0.00 C ATOM 327 OH TYR A 24 7.196 2.128 6.613 1.00 0.00 O ATOM 0 H TYR A 24 3.548 4.955 3.451 1.00 0.00 H new ATOM 0 HA TYR A 24 2.403 4.067 1.233 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.468 2.466 1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.787 4.176 1.361 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.422 5.040 3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.988 0.871 2.886 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.652 4.528 5.721 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.217 0.362 4.947 1.00 0.00 H new ATOM 0 HH TYR A 24 7.265 1.156 6.721 1.00 0.00 H new ATOM 337 N ARG A 25 1.994 1.534 1.068 1.00 0.00 N ATOM 338 CA ARG A 25 1.327 0.237 1.027 1.00 0.00 C ATOM 339 C ARG A 25 2.271 -0.841 0.518 1.00 0.00 C ATOM 340 O ARG A 25 1.914 -1.650 -0.337 1.00 0.00 O ATOM 341 CB ARG A 25 0.087 0.316 0.148 1.00 0.00 C ATOM 342 CG ARG A 25 -0.985 1.217 0.727 1.00 0.00 C ATOM 343 CD ARG A 25 -1.905 0.440 1.656 1.00 0.00 C ATOM 344 NE ARG A 25 -2.601 1.305 2.603 1.00 0.00 N ATOM 345 CZ ARG A 25 -2.021 1.868 3.660 1.00 0.00 C ATOM 346 NH1 ARG A 25 -0.742 1.640 3.923 1.00 0.00 N ATOM 347 NH2 ARG A 25 -2.726 2.654 4.462 1.00 0.00 N ATOM 0 H ARG A 25 2.329 1.863 0.163 1.00 0.00 H new ATOM 0 HA ARG A 25 1.025 -0.029 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.369 0.682 -0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.321 -0.686 0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.520 2.038 1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.568 1.661 -0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.637 -0.108 1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.322 -0.300 2.205 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.592 1.489 2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.197 1.030 3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.303 2.074 4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.712 2.827 4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.282 3.086 5.272 1.00 0.00 H new ATOM 361 N LYS A 26 3.478 -0.827 1.064 1.00 0.00 N ATOM 362 CA LYS A 26 4.529 -1.785 0.700 1.00 0.00 C ATOM 363 C LYS A 26 3.961 -3.167 0.374 1.00 0.00 C ATOM 364 O LYS A 26 2.905 -3.552 0.877 1.00 0.00 O ATOM 365 CB LYS A 26 5.546 -1.900 1.837 1.00 0.00 C ATOM 366 CG LYS A 26 6.979 -2.071 1.360 1.00 0.00 C ATOM 367 CD LYS A 26 7.974 -1.653 2.430 1.00 0.00 C ATOM 368 CE LYS A 26 8.348 -2.820 3.331 1.00 0.00 C ATOM 369 NZ LYS A 26 9.238 -2.398 4.450 1.00 0.00 N ATOM 0 H LYS A 26 3.764 -0.153 1.774 1.00 0.00 H new ATOM 0 HA LYS A 26 5.017 -1.408 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.484 -1.008 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.279 -2.748 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.151 -3.112 1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.138 -1.476 0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.872 -1.255 1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.547 -0.850 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.442 -3.269 3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.847 -3.588 2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.469 -3.223 5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.114 -1.993 4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.753 -1.683 5.029 1.00 0.00 H new ATOM 383 N MET A 27 4.670 -3.905 -0.478 1.00 0.00 N ATOM 384 CA MET A 27 4.242 -5.239 -0.882 1.00 0.00 C ATOM 385 C MET A 27 4.750 -6.301 0.086 1.00 0.00 C ATOM 386 O MET A 27 5.943 -6.604 0.121 1.00 0.00 O ATOM 387 CB MET A 27 4.738 -5.544 -2.297 1.00 0.00 C ATOM 388 CG MET A 27 3.619 -5.659 -3.316 1.00 0.00 C ATOM 389 SD MET A 27 4.230 -5.735 -5.011 1.00 0.00 S ATOM 390 CE MET A 27 3.060 -6.877 -5.742 1.00 0.00 C ATOM 0 H MET A 27 5.546 -3.599 -0.902 1.00 0.00 H new ATOM 0 HA MET A 27 3.152 -5.261 -0.868 1.00 0.00 H new ATOM 0 HB2 MET A 27 5.425 -4.758 -2.610 1.00 0.00 H new ATOM 0 HB3 MET A 27 5.304 -6.476 -2.283 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.031 -6.552 -3.105 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.949 -4.805 -3.213 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.541 -7.843 -5.894 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.205 -6.998 -5.076 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.720 -6.486 -6.701 1.00 0.00 H new ATOM 400 N TRP A 28 3.828 -6.872 0.859 1.00 0.00 N ATOM 401 CA TRP A 28 4.153 -7.916 1.835 1.00 0.00 C ATOM 402 C TRP A 28 5.444 -7.605 2.595 1.00 0.00 C ATOM 403 O TRP A 28 5.991 -6.507 2.492 1.00 0.00 O ATOM 404 CB TRP A 28 4.257 -9.288 1.150 1.00 0.00 C ATOM 405 CG TRP A 28 4.812 -9.240 -0.242 1.00 0.00 C ATOM 406 CD1 TRP A 28 4.176 -8.792 -1.365 1.00 0.00 C ATOM 407 CD2 TRP A 28 6.114 -9.666 -0.661 1.00 0.00 C ATOM 408 NE1 TRP A 28 5.006 -8.907 -2.454 1.00 0.00 N ATOM 409 CE2 TRP A 28 6.201 -9.442 -2.048 1.00 0.00 C ATOM 410 CE3 TRP A 28 7.217 -10.212 0.003 1.00 0.00 C ATOM 411 CZ2 TRP A 28 7.345 -9.744 -2.782 1.00 0.00 C ATOM 412 CZ3 TRP A 28 8.352 -10.514 -0.726 1.00 0.00 C ATOM 413 CH2 TRP A 28 8.408 -10.278 -2.107 1.00 0.00 C ATOM 0 H TRP A 28 2.838 -6.627 0.829 1.00 0.00 H new ATOM 0 HA TRP A 28 3.340 -7.943 2.560 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.886 -9.938 1.758 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.266 -9.742 1.119 1.00 0.00 H new ATOM 0 HD1 TRP A 28 3.168 -8.404 -1.393 1.00 0.00 H new ATOM 0 HE1 TRP A 28 4.771 -8.638 -3.409 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.183 -10.395 1.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.391 -9.563 -3.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 9.209 -10.938 -0.224 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.309 -10.523 -2.649 1.00 0.00 H new ATOM 424 N CYS A 29 5.921 -8.578 3.367 1.00 0.00 N ATOM 425 CA CYS A 29 7.142 -8.408 4.148 1.00 0.00 C ATOM 426 C CYS A 29 8.375 -8.709 3.298 1.00 0.00 C ATOM 427 O CYS A 29 8.294 -8.769 2.072 1.00 0.00 O ATOM 428 CB CYS A 29 7.121 -9.321 5.380 1.00 0.00 C ATOM 429 SG CYS A 29 5.463 -9.602 6.086 1.00 0.00 S ATOM 0 H CYS A 29 5.480 -9.492 3.468 1.00 0.00 H new ATOM 0 HA CYS A 29 7.191 -7.370 4.477 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.555 -10.284 5.110 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.761 -8.887 6.149 1.00 0.00 H new ATOM 434 N ASP A 30 9.513 -8.902 3.958 1.00 0.00 N ATOM 435 CA ASP A 30 10.760 -9.204 3.261 1.00 0.00 C ATOM 436 C ASP A 30 11.359 -10.511 3.768 1.00 0.00 C ATOM 437 O ASP A 30 12.576 -10.695 3.756 1.00 0.00 O ATOM 438 CB ASP A 30 11.765 -8.064 3.444 1.00 0.00 C ATOM 439 CG ASP A 30 13.016 -8.254 2.608 1.00 0.00 C ATOM 440 OD1 ASP A 30 13.031 -9.173 1.762 1.00 0.00 O ATOM 441 OD2 ASP A 30 13.980 -7.486 2.801 1.00 0.00 O ATOM 0 H ASP A 30 9.598 -8.855 4.973 1.00 0.00 H new ATOM 0 HA ASP A 30 10.537 -9.312 2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.292 -7.120 3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.042 -7.993 4.496 1.00 0.00 H new ATOM 446 N ALA A 31 10.495 -11.417 4.212 1.00 0.00 N ATOM 447 CA ALA A 31 10.937 -12.708 4.723 1.00 0.00 C ATOM 448 C ALA A 31 10.067 -13.836 4.184 1.00 0.00 C ATOM 449 O ALA A 31 10.501 -14.619 3.338 1.00 0.00 O ATOM 450 CB ALA A 31 10.923 -12.707 6.245 1.00 0.00 C ATOM 0 H ALA A 31 9.484 -11.281 4.228 1.00 0.00 H new ATOM 0 HA ALA A 31 11.958 -12.877 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.255 -13.678 6.613 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.593 -11.930 6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.911 -12.512 6.599 1.00 0.00 H new ATOM 456 N PHE A 32 8.835 -13.916 4.676 1.00 0.00 N ATOM 457 CA PHE A 32 7.906 -14.952 4.240 1.00 0.00 C ATOM 458 C PHE A 32 6.526 -14.749 4.859 1.00 0.00 C ATOM 459 O PHE A 32 6.209 -15.329 5.897 1.00 0.00 O ATOM 460 CB PHE A 32 8.448 -16.335 4.610 1.00 0.00 C ATOM 461 CG PHE A 32 8.654 -16.527 6.086 1.00 0.00 C ATOM 462 CD1 PHE A 32 9.695 -15.892 6.745 1.00 0.00 C ATOM 463 CD2 PHE A 32 7.805 -17.344 6.815 1.00 0.00 C ATOM 464 CE1 PHE A 32 9.885 -16.069 8.102 1.00 0.00 C ATOM 465 CE2 PHE A 32 7.990 -17.525 8.173 1.00 0.00 C ATOM 466 CZ PHE A 32 9.032 -16.886 8.816 1.00 0.00 C ATOM 0 H PHE A 32 8.457 -13.277 5.376 1.00 0.00 H new ATOM 0 HA PHE A 32 7.807 -14.883 3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.757 -17.096 4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.396 -16.494 4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 32 10.365 -15.251 6.191 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.989 -17.846 6.316 1.00 0.00 H new ATOM 0 HE1 PHE A 32 10.700 -15.569 8.604 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.321 -18.165 8.730 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.179 -17.026 9.877 1.00 0.00 H new ATOM 476 N CYS A 33 5.705 -13.927 4.213 1.00 0.00 N ATOM 477 CA CYS A 33 4.358 -13.655 4.703 1.00 0.00 C ATOM 478 C CYS A 33 3.308 -14.037 3.668 1.00 0.00 C ATOM 479 O CYS A 33 2.214 -13.472 3.649 1.00 0.00 O ATOM 480 CB CYS A 33 4.207 -12.180 5.079 1.00 0.00 C ATOM 481 SG CYS A 33 5.385 -11.614 6.350 1.00 0.00 S ATOM 0 H CYS A 33 5.948 -13.439 3.351 1.00 0.00 H new ATOM 0 HA CYS A 33 4.202 -14.264 5.593 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.335 -11.572 4.183 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.192 -12.009 5.437 1.00 0.00 H new ATOM 486 N SER A 34 3.629 -15.015 2.824 1.00 0.00 N ATOM 487 CA SER A 34 2.687 -15.481 1.814 1.00 0.00 C ATOM 488 C SER A 34 1.571 -16.259 2.498 1.00 0.00 C ATOM 489 O SER A 34 1.429 -17.468 2.316 1.00 0.00 O ATOM 490 CB SER A 34 3.393 -16.364 0.781 1.00 0.00 C ATOM 491 OG SER A 34 4.491 -15.686 0.196 1.00 0.00 O ATOM 0 H SER A 34 4.528 -15.496 2.820 1.00 0.00 H new ATOM 0 HA SER A 34 2.268 -14.622 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.740 -17.281 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.686 -16.656 0.004 1.00 0.00 H new ATOM 0 HG SER A 34 4.926 -16.271 -0.459 1.00 0.00 H new ATOM 497 N SER A 35 0.805 -15.549 3.319 1.00 0.00 N ATOM 498 CA SER A 35 -0.277 -16.148 4.080 1.00 0.00 C ATOM 499 C SER A 35 -1.642 -15.834 3.461 1.00 0.00 C ATOM 500 O SER A 35 -1.741 -15.564 2.265 1.00 0.00 O ATOM 501 CB SER A 35 -0.200 -15.642 5.524 1.00 0.00 C ATOM 502 OG SER A 35 -1.197 -16.241 6.334 1.00 0.00 O ATOM 0 H SER A 35 0.918 -14.547 3.473 1.00 0.00 H new ATOM 0 HA SER A 35 -0.167 -17.232 4.064 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.785 -15.860 5.936 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.319 -14.559 5.539 1.00 0.00 H new ATOM 0 HG SER A 35 -1.354 -17.160 6.033 1.00 0.00 H new ATOM 508 N ARG A 36 -2.691 -15.894 4.288 1.00 0.00 N ATOM 509 CA ARG A 36 -4.066 -15.642 3.853 1.00 0.00 C ATOM 510 C ARG A 36 -4.158 -14.605 2.722 1.00 0.00 C ATOM 511 O ARG A 36 -4.026 -14.953 1.549 1.00 0.00 O ATOM 512 CB ARG A 36 -4.925 -15.216 5.051 1.00 0.00 C ATOM 513 CG ARG A 36 -4.203 -14.332 6.064 1.00 0.00 C ATOM 514 CD ARG A 36 -4.604 -14.677 7.490 1.00 0.00 C ATOM 515 NE ARG A 36 -4.542 -13.513 8.372 1.00 0.00 N ATOM 516 CZ ARG A 36 -5.300 -12.428 8.224 1.00 0.00 C ATOM 517 NH1 ARG A 36 -6.188 -12.357 7.240 1.00 0.00 N ATOM 518 NH2 ARG A 36 -5.171 -11.410 9.065 1.00 0.00 N ATOM 0 H ARG A 36 -2.609 -16.119 5.279 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.449 -16.577 3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.802 -14.683 4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.286 -16.110 5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.126 -14.450 5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.432 -13.285 5.864 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.616 -15.082 7.494 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.947 -15.458 7.873 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.879 -13.533 9.147 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.293 -13.137 6.591 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.765 -11.523 7.133 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.492 -11.459 9.824 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.751 -10.579 8.952 1.00 0.00 H new ATOM 532 N GLY A 37 -4.405 -13.342 3.070 1.00 0.00 N ATOM 533 CA GLY A 37 -4.529 -12.308 2.058 1.00 0.00 C ATOM 534 C GLY A 37 -3.202 -11.677 1.680 1.00 0.00 C ATOM 535 O GLY A 37 -2.984 -11.340 0.517 1.00 0.00 O ATOM 0 H GLY A 37 -4.521 -13.019 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.988 -12.735 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.202 -11.532 2.422 1.00 0.00 H new ATOM 539 N LYS A 38 -2.319 -11.507 2.662 1.00 0.00 N ATOM 540 CA LYS A 38 -1.009 -10.903 2.421 1.00 0.00 C ATOM 541 C LYS A 38 -1.143 -9.631 1.581 1.00 0.00 C ATOM 542 O LYS A 38 -2.240 -9.098 1.420 1.00 0.00 O ATOM 543 CB LYS A 38 -0.078 -11.905 1.728 1.00 0.00 C ATOM 544 CG LYS A 38 -0.456 -12.206 0.287 1.00 0.00 C ATOM 545 CD LYS A 38 0.692 -12.849 -0.471 1.00 0.00 C ATOM 546 CE LYS A 38 0.261 -13.297 -1.859 1.00 0.00 C ATOM 547 NZ LYS A 38 -0.341 -12.181 -2.639 1.00 0.00 N ATOM 0 H LYS A 38 -2.486 -11.778 3.631 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.576 -10.632 3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.940 -11.516 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.077 -12.836 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.321 -12.869 0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.751 -11.283 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.516 -12.140 -0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.065 -13.706 0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.122 -13.693 -2.397 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.460 -14.109 -1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.591 -12.518 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.197 -11.842 -2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.344 -11.402 -2.716 1.00 0.00 H new ATOM 561 N VAL A 39 -0.023 -9.154 1.047 1.00 0.00 N ATOM 562 CA VAL A 39 -0.024 -7.950 0.223 1.00 0.00 C ATOM 563 C VAL A 39 -0.484 -6.732 1.022 1.00 0.00 C ATOM 564 O VAL A 39 -1.355 -6.833 1.885 1.00 0.00 O ATOM 565 CB VAL A 39 -0.939 -8.116 -1.014 1.00 0.00 C ATOM 566 CG1 VAL A 39 -1.135 -6.791 -1.738 1.00 0.00 C ATOM 567 CG2 VAL A 39 -0.372 -9.162 -1.963 1.00 0.00 C ATOM 0 H VAL A 39 0.895 -9.582 1.170 1.00 0.00 H new ATOM 0 HA VAL A 39 1.002 -7.794 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.914 -8.455 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.782 -6.941 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.595 -6.071 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.169 -6.411 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.029 -9.264 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.619 -8.852 -2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.299 -10.119 -1.447 1.00 0.00 H new ATOM 577 N VAL A 40 0.100 -5.580 0.709 1.00 0.00 N ATOM 578 CA VAL A 40 -0.254 -4.332 1.375 1.00 0.00 C ATOM 579 C VAL A 40 0.036 -4.383 2.874 1.00 0.00 C ATOM 580 O VAL A 40 -0.180 -5.403 3.530 1.00 0.00 O ATOM 581 CB VAL A 40 -1.744 -3.994 1.155 1.00 0.00 C ATOM 582 CG1 VAL A 40 -2.134 -2.720 1.894 1.00 0.00 C ATOM 583 CG2 VAL A 40 -2.043 -3.869 -0.332 1.00 0.00 C ATOM 0 H VAL A 40 0.823 -5.485 -0.004 1.00 0.00 H new ATOM 0 HA VAL A 40 0.365 -3.553 0.931 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.342 -4.809 1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.189 -2.507 1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.961 -2.852 2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.531 -1.889 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.097 -3.630 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.431 -3.075 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.815 -4.812 -0.829 1.00 0.00 H new ATOM 593 N GLU A 41 0.516 -3.263 3.405 1.00 0.00 N ATOM 594 CA GLU A 41 0.830 -3.149 4.823 1.00 0.00 C ATOM 595 C GLU A 41 0.406 -1.769 5.341 1.00 0.00 C ATOM 596 O GLU A 41 -0.653 -1.268 4.961 1.00 0.00 O ATOM 597 CB GLU A 41 2.325 -3.400 5.055 1.00 0.00 C ATOM 598 CG GLU A 41 3.230 -2.371 4.398 1.00 0.00 C ATOM 599 CD GLU A 41 4.672 -2.495 4.850 1.00 0.00 C ATOM 600 OE1 GLU A 41 5.299 -3.534 4.555 1.00 0.00 O ATOM 601 OE2 GLU A 41 5.175 -1.554 5.499 1.00 0.00 O ATOM 0 H GLU A 41 0.697 -2.415 2.868 1.00 0.00 H new ATOM 0 HA GLU A 41 0.275 -3.905 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.520 -3.409 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.581 -4.389 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.181 -2.487 3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.865 -1.370 4.629 1.00 0.00 H new ATOM 608 N LEU A 42 1.216 -1.149 6.199 1.00 0.00 N ATOM 609 CA LEU A 42 0.880 0.166 6.733 1.00 0.00 C ATOM 610 C LEU A 42 2.048 0.771 7.507 1.00 0.00 C ATOM 611 O LEU A 42 2.542 0.179 8.467 1.00 0.00 O ATOM 612 CB LEU A 42 -0.352 0.075 7.636 1.00 0.00 C ATOM 613 CG LEU A 42 -0.135 -0.651 8.966 1.00 0.00 C ATOM 614 CD1 LEU A 42 -1.419 -0.670 9.779 1.00 0.00 C ATOM 615 CD2 LEU A 42 0.367 -2.067 8.727 1.00 0.00 C ATOM 0 H LEU A 42 2.099 -1.533 6.535 1.00 0.00 H new ATOM 0 HA LEU A 42 0.660 0.819 5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.704 1.085 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.146 -0.433 7.089 1.00 0.00 H new ATOM 0 HG LEU A 42 0.623 -0.110 9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.246 -1.190 10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.736 0.353 9.982 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.198 -1.186 9.217 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.515 -2.567 9.684 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.367 -2.619 8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.313 -2.031 8.186 1.00 0.00 H new ATOM 627 N GLY A 43 2.480 1.957 7.086 1.00 0.00 N ATOM 628 CA GLY A 43 3.579 2.626 7.756 1.00 0.00 C ATOM 629 C GLY A 43 3.211 4.030 8.195 1.00 0.00 C ATOM 630 O GLY A 43 2.418 4.203 9.116 1.00 0.00 O ATOM 0 H GLY A 43 2.088 2.465 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.882 2.043 8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.438 2.670 7.087 1.00 0.00 H new ATOM 634 N CYS A 44 3.793 5.022 7.513 1.00 0.00 N ATOM 635 CA CYS A 44 3.559 6.455 7.780 1.00 0.00 C ATOM 636 C CYS A 44 4.860 7.241 7.613 1.00 0.00 C ATOM 637 O CYS A 44 5.129 8.184 8.357 1.00 0.00 O ATOM 638 CB CYS A 44 2.992 6.711 9.180 1.00 0.00 C ATOM 639 SG CYS A 44 1.163 6.656 9.276 1.00 0.00 S ATOM 0 H CYS A 44 4.449 4.856 6.750 1.00 0.00 H new ATOM 0 HA CYS A 44 2.817 6.791 7.056 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.402 5.970 9.866 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.333 7.688 9.524 1.00 0.00 H new ATOM 644 N ALA A 45 5.667 6.840 6.634 1.00 0.00 N ATOM 645 CA ALA A 45 6.944 7.503 6.373 1.00 0.00 C ATOM 646 C ALA A 45 7.428 7.228 4.958 1.00 0.00 C ATOM 647 O ALA A 45 7.037 6.241 4.344 1.00 0.00 O ATOM 648 CB ALA A 45 7.987 7.052 7.385 1.00 0.00 C ATOM 0 H ALA A 45 5.461 6.061 6.009 1.00 0.00 H new ATOM 0 HA ALA A 45 6.793 8.578 6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.933 7.553 7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.652 7.307 8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.124 5.973 7.310 1.00 0.00 H new ATOM 654 N ALA A 46 8.287 8.101 4.438 1.00 0.00 N ATOM 655 CA ALA A 46 8.811 7.924 3.089 1.00 0.00 C ATOM 656 C ALA A 46 10.010 6.998 3.101 1.00 0.00 C ATOM 657 O ALA A 46 11.017 7.231 2.433 1.00 0.00 O ATOM 658 CB ALA A 46 9.160 9.263 2.460 1.00 0.00 C ATOM 0 H ALA A 46 8.631 8.929 4.925 1.00 0.00 H new ATOM 0 HA ALA A 46 8.034 7.464 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.549 9.102 1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.266 9.885 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.916 9.763 3.065 1.00 0.00 H new ATOM 664 N THR A 47 9.863 5.937 3.868 1.00 0.00 N ATOM 665 CA THR A 47 10.879 4.912 4.015 1.00 0.00 C ATOM 666 C THR A 47 11.492 4.515 2.667 1.00 0.00 C ATOM 667 O THR A 47 12.609 4.919 2.345 1.00 0.00 O ATOM 668 CB THR A 47 10.212 3.714 4.680 1.00 0.00 C ATOM 669 OG1 THR A 47 10.210 3.862 6.089 1.00 0.00 O ATOM 670 CG2 THR A 47 10.850 2.376 4.361 1.00 0.00 C ATOM 0 H THR A 47 9.021 5.759 4.416 1.00 0.00 H new ATOM 0 HA THR A 47 11.702 5.289 4.622 1.00 0.00 H new ATOM 0 HB THR A 47 9.202 3.704 4.270 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.776 3.085 6.499 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.309 1.583 4.877 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.811 2.201 3.286 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.889 2.381 4.690 1.00 0.00 H new ATOM 678 N CYS A 48 10.745 3.707 1.901 1.00 0.00 N ATOM 679 CA CYS A 48 11.174 3.206 0.585 1.00 0.00 C ATOM 680 C CYS A 48 12.395 3.945 0.029 1.00 0.00 C ATOM 681 O CYS A 48 12.267 4.839 -0.808 1.00 0.00 O ATOM 682 CB CYS A 48 10.015 3.292 -0.414 1.00 0.00 C ATOM 683 SG CYS A 48 9.397 4.979 -0.700 1.00 0.00 S ATOM 0 H CYS A 48 9.820 3.380 2.178 1.00 0.00 H new ATOM 0 HA CYS A 48 11.470 2.167 0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.339 2.870 -1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.193 2.673 -0.054 1.00 0.00 H new ATOM 688 N PRO A 49 13.603 3.573 0.490 1.00 0.00 N ATOM 689 CA PRO A 49 14.845 4.184 0.049 1.00 0.00 C ATOM 690 C PRO A 49 15.461 3.450 -1.139 1.00 0.00 C ATOM 691 O PRO A 49 15.499 3.973 -2.253 1.00 0.00 O ATOM 692 CB PRO A 49 15.744 4.061 1.282 1.00 0.00 C ATOM 693 CG PRO A 49 15.163 2.954 2.117 1.00 0.00 C ATOM 694 CD PRO A 49 13.859 2.526 1.482 1.00 0.00 C ATOM 0 HA PRO A 49 14.703 5.208 -0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.770 3.834 0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.769 4.997 1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 49 15.855 2.113 2.171 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.996 3.295 3.139 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.942 1.544 1.017 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.056 2.464 2.217 1.00 0.00 H new ATOM 702 N SER A 50 15.942 2.234 -0.895 1.00 0.00 N ATOM 703 CA SER A 50 16.553 1.427 -1.944 1.00 0.00 C ATOM 704 C SER A 50 15.496 0.618 -2.690 1.00 0.00 C ATOM 705 O SER A 50 15.512 0.538 -3.918 1.00 0.00 O ATOM 706 CB SER A 50 17.604 0.489 -1.351 1.00 0.00 C ATOM 707 OG SER A 50 18.808 1.182 -1.073 1.00 0.00 O ATOM 0 H SER A 50 15.920 1.787 0.021 1.00 0.00 H new ATOM 0 HA SER A 50 17.037 2.101 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 50 17.220 0.040 -0.435 1.00 0.00 H new ATOM 0 HB3 SER A 50 17.802 -0.326 -2.047 1.00 0.00 H new ATOM 0 HG SER A 50 19.463 0.560 -0.693 1.00 0.00 H new ATOM 713 N LYS A 51 14.576 0.022 -1.937 1.00 0.00 N ATOM 714 CA LYS A 51 13.507 -0.780 -2.524 1.00 0.00 C ATOM 715 C LYS A 51 14.068 -2.007 -3.236 1.00 0.00 C ATOM 716 O LYS A 51 15.277 -2.120 -3.442 1.00 0.00 O ATOM 717 CB LYS A 51 12.687 0.062 -3.503 1.00 0.00 C ATOM 718 CG LYS A 51 11.348 0.517 -2.944 1.00 0.00 C ATOM 719 CD LYS A 51 10.615 1.422 -3.921 1.00 0.00 C ATOM 720 CE LYS A 51 10.361 0.722 -5.247 1.00 0.00 C ATOM 721 NZ LYS A 51 9.106 1.194 -5.896 1.00 0.00 N ATOM 0 H LYS A 51 14.549 0.079 -0.919 1.00 0.00 H new ATOM 0 HA LYS A 51 12.860 -1.119 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.268 0.939 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.514 -0.517 -4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.731 -0.353 -2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.506 1.046 -2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.666 1.735 -3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.201 2.325 -4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.203 0.897 -5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.302 -0.354 -5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.272 1.333 -6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.358 0.484 -5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.811 2.094 -5.467 1.00 0.00 H new ATOM 735 N LYS A 52 13.179 -2.921 -3.610 1.00 0.00 N ATOM 736 CA LYS A 52 13.576 -4.141 -4.302 1.00 0.00 C ATOM 737 C LYS A 52 12.640 -4.421 -5.477 1.00 0.00 C ATOM 738 O LYS A 52 11.586 -3.800 -5.600 1.00 0.00 O ATOM 739 CB LYS A 52 13.575 -5.326 -3.333 1.00 0.00 C ATOM 740 CG LYS A 52 14.966 -5.749 -2.889 1.00 0.00 C ATOM 741 CD LYS A 52 14.907 -6.907 -1.906 1.00 0.00 C ATOM 742 CE LYS A 52 16.223 -7.668 -1.862 1.00 0.00 C ATOM 743 NZ LYS A 52 16.211 -8.849 -2.770 1.00 0.00 N ATOM 0 H LYS A 52 12.176 -2.839 -3.445 1.00 0.00 H new ATOM 0 HA LYS A 52 14.586 -4.004 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.985 -5.066 -2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.081 -6.173 -3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.555 -6.038 -3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.475 -4.903 -2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.670 -6.530 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.102 -7.586 -2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.038 -7.001 -2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.419 -7.997 -0.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.125 -9.341 -2.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.450 -9.498 -2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.050 -8.534 -3.748 1.00 0.00 H new ATOM 757 N PRO A 53 13.016 -5.362 -6.360 1.00 0.00 N ATOM 758 CA PRO A 53 12.201 -5.715 -7.527 1.00 0.00 C ATOM 759 C PRO A 53 10.879 -6.369 -7.140 1.00 0.00 C ATOM 760 O PRO A 53 9.813 -5.949 -7.592 1.00 0.00 O ATOM 761 CB PRO A 53 13.081 -6.703 -8.298 1.00 0.00 C ATOM 762 CG PRO A 53 14.021 -7.255 -7.284 1.00 0.00 C ATOM 763 CD PRO A 53 14.260 -6.151 -6.294 1.00 0.00 C ATOM 0 HA PRO A 53 11.922 -4.834 -8.105 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.483 -7.493 -8.753 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.619 -6.206 -9.105 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.596 -8.132 -6.795 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.955 -7.570 -7.749 1.00 0.00 H new ATOM 0 HD2 PRO A 53 14.437 -6.541 -5.291 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.131 -5.552 -6.561 1.00 0.00 H new ATOM 771 N TYR A 54 10.953 -7.398 -6.303 1.00 0.00 N ATOM 772 CA TYR A 54 9.759 -8.111 -5.861 1.00 0.00 C ATOM 773 C TYR A 54 9.053 -7.358 -4.737 1.00 0.00 C ATOM 774 O TYR A 54 8.035 -6.702 -4.962 1.00 0.00 O ATOM 775 CB TYR A 54 10.127 -9.522 -5.396 1.00 0.00 C ATOM 776 CG TYR A 54 10.572 -10.430 -6.520 1.00 0.00 C ATOM 777 CD1 TYR A 54 9.898 -10.445 -7.735 1.00 0.00 C ATOM 778 CD2 TYR A 54 11.666 -11.271 -6.368 1.00 0.00 C ATOM 779 CE1 TYR A 54 10.301 -11.273 -8.764 1.00 0.00 C ATOM 780 CE2 TYR A 54 12.077 -12.102 -7.393 1.00 0.00 C ATOM 781 CZ TYR A 54 11.391 -12.099 -8.589 1.00 0.00 C ATOM 782 OH TYR A 54 11.797 -12.924 -9.611 1.00 0.00 O ATOM 0 H TYR A 54 11.826 -7.757 -5.917 1.00 0.00 H new ATOM 0 HA TYR A 54 9.075 -8.180 -6.707 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.924 -9.456 -4.656 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.266 -9.968 -4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.045 -9.798 -7.877 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.205 -11.276 -5.432 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.765 -11.274 -9.702 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.930 -12.750 -7.258 1.00 0.00 H new ATOM 0 HH TYR A 54 12.580 -13.439 -9.324 1.00 0.00 H new ATOM 792 N GLU A 55 9.596 -7.459 -3.526 1.00 0.00 N ATOM 793 CA GLU A 55 9.013 -6.788 -2.367 1.00 0.00 C ATOM 794 C GLU A 55 8.811 -5.299 -2.638 1.00 0.00 C ATOM 795 O GLU A 55 9.268 -4.776 -3.653 1.00 0.00 O ATOM 796 CB GLU A 55 9.907 -6.978 -1.141 1.00 0.00 C ATOM 797 CG GLU A 55 11.353 -6.568 -1.370 1.00 0.00 C ATOM 798 CD GLU A 55 12.315 -7.277 -0.438 1.00 0.00 C ATOM 799 OE1 GLU A 55 12.472 -8.509 -0.574 1.00 0.00 O ATOM 800 OE2 GLU A 55 12.910 -6.602 0.427 1.00 0.00 O ATOM 0 H GLU A 55 10.437 -7.998 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 55 8.038 -7.236 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.501 -6.398 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.879 -8.025 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.628 -6.783 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.447 -5.491 -1.233 1.00 0.00 H new ATOM 807 N GLU A 56 8.117 -4.624 -1.724 1.00 0.00 N ATOM 808 CA GLU A 56 7.850 -3.197 -1.868 1.00 0.00 C ATOM 809 C GLU A 56 7.015 -2.928 -3.116 1.00 0.00 C ATOM 810 O GLU A 56 7.413 -3.280 -4.226 1.00 0.00 O ATOM 811 CB GLU A 56 9.161 -2.413 -1.938 1.00 0.00 C ATOM 812 CG GLU A 56 9.682 -1.978 -0.576 1.00 0.00 C ATOM 813 CD GLU A 56 11.148 -2.310 -0.377 1.00 0.00 C ATOM 814 OE1 GLU A 56 11.624 -3.291 -0.987 1.00 0.00 O ATOM 815 OE2 GLU A 56 11.820 -1.589 0.390 1.00 0.00 O ATOM 0 H GLU A 56 7.731 -5.042 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 56 7.287 -2.867 -0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.917 -3.027 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.015 -1.531 -2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.538 -0.903 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.095 -2.462 0.205 1.00 0.00 H new ATOM 822 N VAL A 57 5.855 -2.305 -2.931 1.00 0.00 N ATOM 823 CA VAL A 57 4.976 -1.997 -4.051 1.00 0.00 C ATOM 824 C VAL A 57 5.388 -0.694 -4.724 1.00 0.00 C ATOM 825 O VAL A 57 5.507 -0.628 -5.947 1.00 0.00 O ATOM 826 CB VAL A 57 3.499 -1.901 -3.613 1.00 0.00 C ATOM 827 CG1 VAL A 57 3.294 -0.771 -2.614 1.00 0.00 C ATOM 828 CG2 VAL A 57 2.598 -1.713 -4.825 1.00 0.00 C ATOM 0 H VAL A 57 5.504 -2.006 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 57 5.072 -2.818 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 57 3.231 -2.836 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.244 -0.728 -2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.907 -0.950 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.583 0.175 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.560 -1.647 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.874 -0.796 -5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.714 -2.561 -5.499 1.00 0.00 H new ATOM 838 N THR A 58 5.603 0.339 -3.914 1.00 0.00 N ATOM 839 CA THR A 58 6.002 1.650 -4.417 1.00 0.00 C ATOM 840 C THR A 58 5.903 2.697 -3.314 1.00 0.00 C ATOM 841 O THR A 58 5.452 2.409 -2.205 1.00 0.00 O ATOM 842 CB THR A 58 5.131 2.076 -5.606 1.00 0.00 C ATOM 843 OG1 THR A 58 3.885 1.397 -5.592 1.00 0.00 O ATOM 844 CG2 THR A 58 5.788 1.829 -6.950 1.00 0.00 C ATOM 0 H THR A 58 5.507 0.292 -2.900 1.00 0.00 H new ATOM 0 HA THR A 58 7.036 1.574 -4.752 1.00 0.00 H new ATOM 0 HB THR A 58 4.987 3.150 -5.487 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.347 1.686 -6.358 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.119 2.152 -7.747 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.720 2.391 -7.008 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.998 0.765 -7.062 1.00 0.00 H new ATOM 852 N CYS A 59 6.329 3.912 -3.630 1.00 0.00 N ATOM 853 CA CYS A 59 6.296 5.016 -2.681 1.00 0.00 C ATOM 854 C CYS A 59 5.041 5.862 -2.860 1.00 0.00 C ATOM 855 O CYS A 59 5.038 7.059 -2.573 1.00 0.00 O ATOM 856 CB CYS A 59 7.516 5.897 -2.888 1.00 0.00 C ATOM 857 SG CYS A 59 9.108 5.035 -2.707 1.00 0.00 S ATOM 0 H CYS A 59 6.705 4.159 -4.545 1.00 0.00 H new ATOM 0 HA CYS A 59 6.293 4.597 -1.675 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.466 6.337 -3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.480 6.720 -2.174 1.00 0.00 H new ATOM 862 N CYS A 60 3.987 5.232 -3.343 1.00 0.00 N ATOM 863 CA CYS A 60 2.718 5.912 -3.577 1.00 0.00 C ATOM 864 C CYS A 60 2.843 6.941 -4.692 1.00 0.00 C ATOM 865 O CYS A 60 3.426 8.011 -4.513 1.00 0.00 O ATOM 866 CB CYS A 60 2.221 6.596 -2.303 1.00 0.00 C ATOM 867 SG CYS A 60 1.054 5.614 -1.296 1.00 0.00 S ATOM 0 H CYS A 60 3.981 4.241 -3.584 1.00 0.00 H new ATOM 0 HA CYS A 60 1.995 5.154 -3.878 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.083 6.850 -1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.738 7.534 -2.578 1.00 0.00 H new ATOM 872 N SER A 61 2.275 6.603 -5.836 1.00 0.00 N ATOM 873 CA SER A 61 2.288 7.479 -7.003 1.00 0.00 C ATOM 874 C SER A 61 0.966 7.372 -7.765 1.00 0.00 C ATOM 875 O SER A 61 0.847 7.845 -8.895 1.00 0.00 O ATOM 876 CB SER A 61 3.456 7.122 -7.925 1.00 0.00 C ATOM 877 OG SER A 61 3.155 5.984 -8.712 1.00 0.00 O ATOM 0 H SER A 61 1.792 5.717 -5.986 1.00 0.00 H new ATOM 0 HA SER A 61 2.413 8.506 -6.661 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.682 7.968 -8.575 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.348 6.930 -7.329 1.00 0.00 H new ATOM 0 HG SER A 61 3.916 5.778 -9.293 1.00 0.00 H new ATOM 883 N THR A 62 -0.022 6.746 -7.126 1.00 0.00 N ATOM 884 CA THR A 62 -1.344 6.560 -7.709 1.00 0.00 C ATOM 885 C THR A 62 -2.290 6.023 -6.641 1.00 0.00 C ATOM 886 O THR A 62 -1.878 5.232 -5.794 1.00 0.00 O ATOM 887 CB THR A 62 -1.282 5.589 -8.894 1.00 0.00 C ATOM 888 OG1 THR A 62 -0.507 6.130 -9.949 1.00 0.00 O ATOM 889 CG2 THR A 62 -2.643 5.243 -9.461 1.00 0.00 C ATOM 0 H THR A 62 0.075 6.354 -6.189 1.00 0.00 H new ATOM 0 HA THR A 62 -1.710 7.519 -8.076 1.00 0.00 H new ATOM 0 HB THR A 62 -0.830 4.681 -8.494 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.245 7.047 -9.725 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.524 4.552 -10.296 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.251 4.775 -8.687 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.134 6.152 -9.809 1.00 0.00 H new ATOM 897 N ASP A 63 -3.547 6.466 -6.680 1.00 0.00 N ATOM 898 CA ASP A 63 -4.563 6.047 -5.706 1.00 0.00 C ATOM 899 C ASP A 63 -4.310 4.624 -5.183 1.00 0.00 C ATOM 900 O ASP A 63 -3.733 3.788 -5.877 1.00 0.00 O ATOM 901 CB ASP A 63 -5.954 6.120 -6.336 1.00 0.00 C ATOM 902 CG ASP A 63 -6.017 5.422 -7.680 1.00 0.00 C ATOM 903 OD1 ASP A 63 -5.683 4.220 -7.742 1.00 0.00 O ATOM 904 OD2 ASP A 63 -6.402 6.077 -8.672 1.00 0.00 O ATOM 0 H ASP A 63 -3.891 7.121 -7.382 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.501 6.730 -4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.680 5.668 -5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.240 7.165 -6.458 1.00 0.00 H new ATOM 909 N LYS A 64 -4.761 4.365 -3.957 1.00 0.00 N ATOM 910 CA LYS A 64 -4.608 3.056 -3.310 1.00 0.00 C ATOM 911 C LYS A 64 -3.170 2.730 -2.936 1.00 0.00 C ATOM 912 O LYS A 64 -2.928 2.212 -1.845 1.00 0.00 O ATOM 913 CB LYS A 64 -5.157 1.944 -4.198 1.00 0.00 C ATOM 914 CG LYS A 64 -6.640 2.080 -4.500 1.00 0.00 C ATOM 915 CD LYS A 64 -7.493 1.491 -3.386 1.00 0.00 C ATOM 916 CE LYS A 64 -8.659 0.689 -3.941 1.00 0.00 C ATOM 917 NZ LYS A 64 -8.358 -0.768 -3.993 1.00 0.00 N ATOM 0 H LYS A 64 -5.244 5.055 -3.381 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.181 3.118 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.603 1.934 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.980 0.984 -3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.890 3.133 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.869 1.577 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.877 0.850 -2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.871 2.294 -2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.541 0.855 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.900 1.045 -4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.179 -1.279 -4.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.532 -0.930 -4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.153 -1.115 -3.034 1.00 0.00 H new ATOM 931 N CYS A 65 -2.212 2.993 -3.824 1.00 0.00 N ATOM 932 CA CYS A 65 -0.815 2.672 -3.533 1.00 0.00 C ATOM 933 C CYS A 65 -0.615 1.170 -3.653 1.00 0.00 C ATOM 934 O CYS A 65 0.404 0.694 -4.153 1.00 0.00 O ATOM 935 CB CYS A 65 -0.437 3.110 -2.114 1.00 0.00 C ATOM 936 SG CYS A 65 1.277 3.699 -1.936 1.00 0.00 S ATOM 0 H CYS A 65 -2.373 3.420 -4.736 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.182 3.202 -4.244 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.115 3.904 -1.800 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -0.592 2.271 -1.435 1.00 0.00 H new ATOM 941 N ASN A 66 -1.616 0.441 -3.171 1.00 0.00 N ATOM 942 CA ASN A 66 -1.611 -1.023 -3.186 1.00 0.00 C ATOM 943 C ASN A 66 -1.000 -1.579 -4.472 1.00 0.00 C ATOM 944 O ASN A 66 -0.958 -0.898 -5.496 1.00 0.00 O ATOM 945 CB ASN A 66 -3.036 -1.558 -3.024 1.00 0.00 C ATOM 946 CG ASN A 66 -3.764 -0.931 -1.852 1.00 0.00 C ATOM 947 OD1 ASN A 66 -3.186 -0.158 -1.089 1.00 0.00 O ATOM 948 ND2 ASN A 66 -5.042 -1.262 -1.703 1.00 0.00 N ATOM 0 H ASN A 66 -2.456 0.846 -2.758 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.995 -1.353 -2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.597 -1.369 -3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.001 -2.639 -2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.584 -0.871 -0.932 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.482 -1.907 -2.360 1.00 0.00 H new ATOM 955 N PRO A 67 -0.514 -2.834 -4.429 1.00 0.00 N ATOM 956 CA PRO A 67 0.096 -3.483 -5.582 1.00 0.00 C ATOM 957 C PRO A 67 -0.934 -4.140 -6.498 1.00 0.00 C ATOM 958 O PRO A 67 -1.000 -3.829 -7.687 1.00 0.00 O ATOM 959 CB PRO A 67 1.003 -4.532 -4.944 1.00 0.00 C ATOM 960 CG PRO A 67 0.346 -4.886 -3.650 1.00 0.00 C ATOM 961 CD PRO A 67 -0.520 -3.714 -3.247 1.00 0.00 C ATOM 0 HA PRO A 67 0.621 -2.776 -6.224 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.105 -5.407 -5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.006 -4.138 -4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.256 -5.788 -3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.093 -5.092 -2.884 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.531 -4.034 -2.995 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.119 -3.206 -2.370 1.00 0.00 H new ATOM 969 N HIS A 68 -1.738 -5.047 -5.946 1.00 0.00 N ATOM 970 CA HIS A 68 -2.755 -5.731 -6.736 1.00 0.00 C ATOM 971 C HIS A 68 -3.879 -6.274 -5.855 1.00 0.00 C ATOM 972 O HIS A 68 -3.790 -7.388 -5.338 1.00 0.00 O ATOM 973 CB HIS A 68 -2.125 -6.872 -7.537 1.00 0.00 C ATOM 974 CG HIS A 68 -1.323 -7.823 -6.703 1.00 0.00 C ATOM 975 ND1 HIS A 68 0.023 -7.656 -6.454 1.00 0.00 N ATOM 976 CD2 HIS A 68 -1.684 -8.960 -6.060 1.00 0.00 C ATOM 977 CE1 HIS A 68 0.456 -8.648 -5.698 1.00 0.00 C ATOM 978 NE2 HIS A 68 -0.560 -9.453 -5.444 1.00 0.00 N ATOM 0 H HIS A 68 -1.705 -5.322 -4.964 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.186 -5.002 -7.422 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.914 -7.426 -8.046 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.483 -6.450 -8.310 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.671 -9.397 -6.036 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.469 -8.779 -5.347 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.517 -10.303 -4.882 1.00 0.00 H new ATOM 987 N PRO A 69 -4.962 -5.495 -5.677 1.00 0.00 N ATOM 988 CA PRO A 69 -6.104 -5.909 -4.862 1.00 0.00 C ATOM 989 C PRO A 69 -7.021 -6.873 -5.611 1.00 0.00 C ATOM 990 O PRO A 69 -7.475 -7.872 -5.057 1.00 0.00 O ATOM 991 CB PRO A 69 -6.823 -4.592 -4.585 1.00 0.00 C ATOM 992 CG PRO A 69 -6.529 -3.747 -5.776 1.00 0.00 C ATOM 993 CD PRO A 69 -5.160 -4.153 -6.261 1.00 0.00 C ATOM 0 HA PRO A 69 -5.801 -6.444 -3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.895 -4.744 -4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -6.459 -4.127 -3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.277 -3.899 -6.554 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.550 -2.689 -5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.113 -4.180 -7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.394 -3.454 -5.926 1.00 0.00 H new ATOM 1001 N LYS A 70 -7.284 -6.562 -6.877 1.00 0.00 N ATOM 1002 CA LYS A 70 -8.142 -7.396 -7.711 1.00 0.00 C ATOM 1003 C LYS A 70 -8.088 -6.940 -9.167 1.00 0.00 C ATOM 1004 O LYS A 70 -9.004 -6.281 -9.657 1.00 0.00 O ATOM 1005 CB LYS A 70 -9.584 -7.353 -7.204 1.00 0.00 C ATOM 1006 CG LYS A 70 -10.179 -5.954 -7.177 1.00 0.00 C ATOM 1007 CD LYS A 70 -11.563 -5.922 -7.807 1.00 0.00 C ATOM 1008 CE LYS A 70 -12.641 -6.292 -6.801 1.00 0.00 C ATOM 1009 NZ LYS A 70 -13.801 -6.963 -7.449 1.00 0.00 N ATOM 0 H LYS A 70 -6.914 -5.736 -7.348 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.777 -8.422 -7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.202 -7.989 -7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.619 -7.773 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.239 -5.604 -6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.520 -5.268 -7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.760 -4.926 -8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.597 -6.613 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.218 -6.951 -6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.982 -5.393 -6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.513 -7.198 -6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.221 -6.325 -8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.481 -7.835 -7.917 1.00 0.00 H new ATOM 1023 N GLN A 71 -7.005 -7.294 -9.853 1.00 0.00 N ATOM 1024 CA GLN A 71 -6.828 -6.920 -11.251 1.00 0.00 C ATOM 1025 C GLN A 71 -7.957 -7.471 -12.118 1.00 0.00 C ATOM 1026 O GLN A 71 -8.281 -6.904 -13.161 1.00 0.00 O ATOM 1027 CB GLN A 71 -5.480 -7.425 -11.768 1.00 0.00 C ATOM 1028 CG GLN A 71 -4.922 -6.600 -12.917 1.00 0.00 C ATOM 1029 CD GLN A 71 -3.653 -7.192 -13.497 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -2.623 -6.524 -13.579 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -3.723 -8.455 -13.905 1.00 0.00 N ATOM 0 H GLN A 71 -6.237 -7.840 -9.462 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.851 -5.832 -11.312 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.762 -7.423 -10.948 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.589 -8.459 -12.094 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.674 -6.522 -13.702 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -4.720 -5.588 -12.568 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.598 -8.971 -13.818 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.901 -8.908 -14.305 1.00 0.00 H new ATOM 1040 N ARG A 72 -8.553 -8.578 -11.680 1.00 0.00 N ATOM 1041 CA ARG A 72 -9.647 -9.203 -12.417 1.00 0.00 C ATOM 1042 C ARG A 72 -9.171 -9.695 -13.785 1.00 0.00 C ATOM 1043 O ARG A 72 -8.430 -8.998 -14.478 1.00 0.00 O ATOM 1044 CB ARG A 72 -10.806 -8.216 -12.589 1.00 0.00 C ATOM 1045 CG ARG A 72 -11.983 -8.782 -13.367 1.00 0.00 C ATOM 1046 CD ARG A 72 -13.062 -9.315 -12.438 1.00 0.00 C ATOM 1047 NE ARG A 72 -13.782 -8.237 -11.763 1.00 0.00 N ATOM 1048 CZ ARG A 72 -14.986 -8.377 -11.216 1.00 0.00 C ATOM 1049 NH1 ARG A 72 -15.609 -9.548 -11.255 1.00 0.00 N ATOM 1050 NH2 ARG A 72 -15.571 -7.341 -10.628 1.00 0.00 N ATOM 0 H ARG A 72 -8.296 -9.060 -10.818 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.995 -10.062 -11.843 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.151 -7.900 -11.605 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.440 -7.325 -13.099 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.404 -8.007 -14.007 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.637 -9.582 -14.021 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.766 -9.920 -13.009 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.609 -9.970 -11.694 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.334 -7.322 -11.708 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.164 -10.347 -11.706 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.532 -9.649 -10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.097 -6.438 -10.596 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.494 -7.447 -10.208 1.00 0.00 H new ATOM 1064 N PRO A 73 -9.594 -10.906 -14.194 1.00 0.00 N ATOM 1065 CA PRO A 73 -9.206 -11.480 -15.487 1.00 0.00 C ATOM 1066 C PRO A 73 -9.424 -10.510 -16.643 1.00 0.00 C ATOM 1067 O PRO A 73 -8.578 -10.380 -17.526 1.00 0.00 O ATOM 1068 CB PRO A 73 -10.126 -12.694 -15.626 1.00 0.00 C ATOM 1069 CG PRO A 73 -10.446 -13.087 -14.227 1.00 0.00 C ATOM 1070 CD PRO A 73 -10.482 -11.809 -13.434 1.00 0.00 C ATOM 0 HA PRO A 73 -8.145 -11.726 -15.521 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.029 -12.445 -16.184 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.633 -13.505 -16.162 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.404 -13.604 -14.177 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.694 -13.770 -13.832 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.494 -11.410 -13.362 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.125 -11.959 -12.415 1.00 0.00 H new ATOM 1078 N GLY A 74 -10.568 -9.831 -16.630 1.00 0.00 N ATOM 1079 CA GLY A 74 -10.877 -8.880 -17.682 1.00 0.00 C ATOM 1080 C GLY A 74 -10.614 -7.447 -17.263 1.00 0.00 C ATOM 1081 O GLY A 74 -11.533 -6.611 -17.397 1.00 0.00 O ATOM 1082 OXT GLY A 74 -9.491 -7.160 -16.800 1.00 0.00 O ATOM 0 H GLY A 74 -11.285 -9.923 -15.910 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.281 -9.113 -18.564 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.924 -8.986 -17.967 1.00 0.00 H new TER 1086 GLY A 74