USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 639 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: B 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 11 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 5 THR OG1 : rot -34:sc= 0.56! USER MOD Set 2.2: A 8 THR OG1 : rot 49:sc= 0.13 USER MOD Set 2.3: A 9 SER OG : rot 103:sc= 0.103 USER MOD Set 2.4: A 12 SER OG : rot -106:sc= 0.852 USER MOD Single : A 1 ILE N :NH3+ -117:sc= -1.95 (180deg=-2.8!) USER MOD Single : A 4 HIS : no HE2:sc= -16.3! C(o=-16!,f=-19!) USER MOD Single : A 6 THR OG1 : rot 73:sc= -9.06! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.069 USER MOD Single : A 21 ASN : amide:sc= -4.88! K(o=-4.9!,f=-2.1) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -117:sc= 0.32 (180deg=-1.04) USER MOD Single : A 27 MET CE :methyl 138:sc= -1.02 (180deg=-2.91!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00571 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 81:sc= 0.187 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0867 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -9.03! C(o=-9!,f=-11!) USER MOD Single : A 68 HIS : no HE2:sc= -6.15! C(o=-6.1!,f=-6.9!) USER MOD Single : A 70 LYS NZ :NH3+ -116:sc= -5.01! (180deg=-6.91!) USER MOD Single : A 71 GLN : amide:sc= -1.9 K(o=-1.9,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -162:sc= -0.956 (180deg=-1.71!) USER MOD Single : B 3 TYR OH : rot 180:sc= -0.44 USER MOD Single : B 4 TYR OH : rot -15:sc= -4.48! USER MOD Single : B 7 SER OG : rot 82:sc= 0.666 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 180:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 6.906 15.917 -0.121 1.00 0.00 N ATOM 2 CA ILE A 1 5.674 15.410 -0.793 1.00 0.00 C ATOM 3 C ILE A 1 4.886 14.506 0.160 1.00 0.00 C ATOM 4 O ILE A 1 4.968 14.638 1.365 1.00 0.00 O ATOM 5 CB ILE A 1 6.177 14.615 -1.998 1.00 0.00 C ATOM 6 CG1 ILE A 1 7.100 13.492 -1.518 1.00 0.00 C ATOM 7 CG2 ILE A 1 6.949 15.542 -2.939 1.00 0.00 C ATOM 8 CD1 ILE A 1 7.578 12.674 -2.719 1.00 0.00 C ATOM 0 H1 ILE A 1 6.857 16.953 -0.042 1.00 0.00 H new ATOM 0 H2 ILE A 1 6.979 15.501 0.829 1.00 0.00 H new ATOM 0 H3 ILE A 1 7.741 15.651 -0.681 1.00 0.00 H new ATOM 0 HA ILE A 1 5.004 16.216 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 1 5.327 14.187 -2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 1 7.955 13.912 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 1 6.572 12.849 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.307 14.973 -3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.292 16.342 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 1 7.799 15.972 -2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 1 8.235 11.875 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 1 6.718 12.242 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.122 13.321 -3.407 1.00 0.00 H new ATOM 22 N VAL A 2 4.119 13.591 -0.370 1.00 0.00 N ATOM 23 CA VAL A 2 3.325 12.683 0.508 1.00 0.00 C ATOM 24 C VAL A 2 3.096 11.342 -0.186 1.00 0.00 C ATOM 25 O VAL A 2 3.159 11.236 -1.395 1.00 0.00 O ATOM 26 CB VAL A 2 1.989 13.392 0.708 1.00 0.00 C ATOM 27 CG1 VAL A 2 1.228 12.746 1.864 1.00 0.00 C ATOM 28 CG2 VAL A 2 2.232 14.868 1.021 1.00 0.00 C ATOM 0 H VAL A 2 4.008 13.433 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 2 3.835 12.481 1.450 1.00 0.00 H new ATOM 0 HB VAL A 2 1.399 13.306 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.275 13.256 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.048 11.695 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.818 12.825 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.276 15.372 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.827 14.954 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.767 15.332 0.193 1.00 0.00 H new ATOM 38 N CYS A 3 2.832 10.317 0.570 1.00 0.00 N ATOM 39 CA CYS A 3 2.600 8.981 -0.040 1.00 0.00 C ATOM 40 C CYS A 3 1.441 8.275 0.667 1.00 0.00 C ATOM 41 O CYS A 3 1.103 8.602 1.786 1.00 0.00 O ATOM 42 CB CYS A 3 3.897 8.216 0.181 1.00 0.00 C ATOM 43 SG CYS A 3 5.322 9.301 -0.101 1.00 0.00 S ATOM 0 H CYS A 3 2.767 10.346 1.587 1.00 0.00 H new ATOM 0 HA CYS A 3 2.340 9.049 -1.096 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.926 7.822 1.197 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.943 7.361 -0.494 1.00 0.00 H new ATOM 48 N HIS A 4 0.837 7.298 0.035 1.00 0.00 N ATOM 49 CA HIS A 4 -0.297 6.582 0.695 1.00 0.00 C ATOM 50 C HIS A 4 0.221 5.394 1.494 1.00 0.00 C ATOM 51 O HIS A 4 1.284 4.875 1.227 1.00 0.00 O ATOM 52 CB HIS A 4 -1.194 6.093 -0.420 1.00 0.00 C ATOM 53 CG HIS A 4 -1.721 7.259 -1.217 1.00 0.00 C ATOM 54 ND1 HIS A 4 -2.577 8.197 -0.662 1.00 0.00 N ATOM 55 CD2 HIS A 4 -1.539 7.649 -2.523 1.00 0.00 C ATOM 56 CE1 HIS A 4 -2.873 9.096 -1.618 1.00 0.00 C ATOM 57 NE2 HIS A 4 -2.267 8.809 -2.772 1.00 0.00 N ATOM 0 H HIS A 4 1.078 6.969 -0.900 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.829 7.239 1.383 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.640 5.419 -1.073 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.025 5.523 -0.004 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -2.921 8.204 0.298 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.924 7.133 -3.246 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -3.522 9.946 -1.470 1.00 0.00 H new ATOM 65 N THR A 5 -0.516 4.953 2.470 1.00 0.00 N ATOM 66 CA THR A 5 -0.046 3.801 3.273 1.00 0.00 C ATOM 67 C THR A 5 -1.199 2.846 3.564 1.00 0.00 C ATOM 68 O THR A 5 -2.124 3.161 4.287 1.00 0.00 O ATOM 69 CB THR A 5 0.472 4.386 4.584 1.00 0.00 C ATOM 70 OG1 THR A 5 -0.543 4.299 5.570 1.00 0.00 O ATOM 71 CG2 THR A 5 0.905 5.848 4.411 1.00 0.00 C ATOM 0 H THR A 5 -1.419 5.340 2.744 1.00 0.00 H new ATOM 0 HA THR A 5 0.723 3.240 2.741 1.00 0.00 H new ATOM 0 HB THR A 5 1.345 3.812 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.419 4.424 5.149 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.269 6.235 5.363 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.700 5.906 3.668 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.054 6.443 4.079 1.00 0.00 H new ATOM 79 N THR A 6 -1.131 1.675 3.032 1.00 0.00 N ATOM 80 CA THR A 6 -2.187 0.666 3.298 1.00 0.00 C ATOM 81 C THR A 6 -1.770 -0.167 4.511 1.00 0.00 C ATOM 82 O THR A 6 -2.542 -0.924 5.063 1.00 0.00 O ATOM 83 CB THR A 6 -2.170 -0.210 2.059 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.954 -0.924 2.052 1.00 0.00 O ATOM 85 CG2 THR A 6 -2.274 0.667 0.809 1.00 0.00 C ATOM 0 H THR A 6 -0.382 1.362 2.415 1.00 0.00 H new ATOM 0 HA THR A 6 -3.166 1.101 3.497 1.00 0.00 H new ATOM 0 HB THR A 6 -3.012 -0.902 2.065 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.983 -1.626 2.736 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.262 0.036 -0.080 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.204 1.234 0.839 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.430 1.356 0.777 1.00 0.00 H new ATOM 93 N ALA A 7 -0.521 -0.060 4.889 1.00 0.00 N ATOM 94 CA ALA A 7 0.001 -0.870 6.021 1.00 0.00 C ATOM 95 C ALA A 7 -0.148 -0.155 7.368 1.00 0.00 C ATOM 96 O ALA A 7 -0.350 -0.785 8.387 1.00 0.00 O ATOM 97 CB ALA A 7 1.471 -1.089 5.668 1.00 0.00 C ATOM 0 H ALA A 7 0.162 0.561 4.455 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.551 -1.802 6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.948 -1.681 6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.542 -1.617 4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.973 -0.125 5.586 1.00 0.00 H new ATOM 103 N THR A 8 -0.065 1.143 7.394 1.00 0.00 N ATOM 104 CA THR A 8 -0.221 1.858 8.694 1.00 0.00 C ATOM 105 C THR A 8 -1.660 2.360 8.797 1.00 0.00 C ATOM 106 O THR A 8 -2.579 1.578 8.941 1.00 0.00 O ATOM 107 CB THR A 8 0.775 3.018 8.637 1.00 0.00 C ATOM 108 OG1 THR A 8 0.806 3.550 7.320 1.00 0.00 O ATOM 109 CG2 THR A 8 2.168 2.515 9.020 1.00 0.00 C ATOM 0 H THR A 8 0.102 1.738 6.582 1.00 0.00 H new ATOM 0 HA THR A 8 -0.028 1.230 9.564 1.00 0.00 H new ATOM 0 HB THR A 8 0.468 3.796 9.335 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.110 3.702 7.007 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.877 3.342 8.979 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.143 2.108 10.031 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.478 1.736 8.323 1.00 0.00 H new ATOM 117 N SER A 9 -1.888 3.637 8.683 1.00 0.00 N ATOM 118 CA SER A 9 -3.292 4.117 8.733 1.00 0.00 C ATOM 119 C SER A 9 -3.978 3.632 7.458 1.00 0.00 C ATOM 120 O SER A 9 -3.312 3.167 6.554 1.00 0.00 O ATOM 121 CB SER A 9 -3.194 5.643 8.761 1.00 0.00 C ATOM 122 OG SER A 9 -2.405 6.082 7.663 1.00 0.00 O ATOM 0 H SER A 9 -1.176 4.357 8.560 1.00 0.00 H new ATOM 0 HA SER A 9 -3.858 3.757 9.592 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.189 6.084 8.708 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.748 5.973 9.699 1.00 0.00 H new ATOM 0 HG SER A 9 -2.990 6.429 6.958 1.00 0.00 H new ATOM 128 N PRO A 10 -5.272 3.740 7.401 1.00 0.00 N ATOM 129 CA PRO A 10 -5.984 3.283 6.192 1.00 0.00 C ATOM 130 C PRO A 10 -5.581 4.121 4.994 1.00 0.00 C ATOM 131 O PRO A 10 -5.337 5.305 5.109 1.00 0.00 O ATOM 132 CB PRO A 10 -7.452 3.453 6.539 1.00 0.00 C ATOM 133 CG PRO A 10 -7.469 4.477 7.630 1.00 0.00 C ATOM 134 CD PRO A 10 -6.187 4.290 8.406 1.00 0.00 C ATOM 0 HA PRO A 10 -5.753 2.253 5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.027 3.786 5.675 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.892 2.513 6.872 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.530 5.484 7.217 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.337 4.343 8.275 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.820 5.232 8.813 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.320 3.609 9.247 1.00 0.00 H new ATOM 142 N ILE A 11 -5.483 3.484 3.858 1.00 0.00 N ATOM 143 CA ILE A 11 -5.067 4.175 2.604 1.00 0.00 C ATOM 144 C ILE A 11 -5.309 5.677 2.691 1.00 0.00 C ATOM 145 O ILE A 11 -6.423 6.162 2.686 1.00 0.00 O ATOM 146 CB ILE A 11 -5.864 3.506 1.473 1.00 0.00 C ATOM 147 CG1 ILE A 11 -4.847 2.913 0.486 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.781 4.516 0.762 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.391 2.936 -0.946 1.00 0.00 C ATOM 0 H ILE A 11 -5.679 2.489 3.745 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.997 4.078 2.422 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.509 2.727 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.916 3.479 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.612 1.888 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.331 4.012 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.485 4.936 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.178 5.317 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.651 2.510 -1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.308 2.349 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.602 3.965 -1.239 1.00 0.00 H new ATOM 161 N SER A 12 -4.245 6.396 2.781 1.00 0.00 N ATOM 162 CA SER A 12 -4.318 7.868 2.880 1.00 0.00 C ATOM 163 C SER A 12 -2.926 8.407 2.609 1.00 0.00 C ATOM 164 O SER A 12 -1.941 7.777 2.954 1.00 0.00 O ATOM 165 CB SER A 12 -4.750 8.159 4.317 1.00 0.00 C ATOM 166 OG SER A 12 -4.070 7.276 5.200 1.00 0.00 O ATOM 0 H SER A 12 -3.298 6.017 2.791 1.00 0.00 H new ATOM 0 HA SER A 12 -5.012 8.325 2.175 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.524 9.194 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.828 8.033 4.417 1.00 0.00 H new ATOM 0 HG SER A 12 -4.694 6.595 5.526 1.00 0.00 H new ATOM 172 N ALA A 13 -2.822 9.533 1.973 1.00 0.00 N ATOM 173 CA ALA A 13 -1.473 10.062 1.667 1.00 0.00 C ATOM 174 C ALA A 13 -0.984 10.988 2.765 1.00 0.00 C ATOM 175 O ALA A 13 -1.403 12.124 2.868 1.00 0.00 O ATOM 176 CB ALA A 13 -1.618 10.838 0.371 1.00 0.00 C ATOM 0 H ALA A 13 -3.604 10.105 1.654 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.748 9.252 1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.652 11.257 0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.969 10.170 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.337 11.645 0.509 1.00 0.00 H new ATOM 182 N VAL A 14 -0.076 10.529 3.568 1.00 0.00 N ATOM 183 CA VAL A 14 0.460 11.409 4.629 1.00 0.00 C ATOM 184 C VAL A 14 1.928 11.672 4.351 1.00 0.00 C ATOM 185 O VAL A 14 2.655 10.813 3.883 1.00 0.00 O ATOM 186 CB VAL A 14 0.283 10.666 5.960 1.00 0.00 C ATOM 187 CG1 VAL A 14 -1.018 9.875 5.934 1.00 0.00 C ATOM 188 CG2 VAL A 14 1.466 9.718 6.192 1.00 0.00 C ATOM 0 H VAL A 14 0.316 9.588 3.536 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.058 12.367 4.664 1.00 0.00 H new ATOM 0 HB VAL A 14 0.247 11.391 6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.142 9.348 6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.855 10.557 5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.989 9.153 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.333 9.195 7.139 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.515 8.992 5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.392 10.292 6.222 1.00 0.00 H new ATOM 198 N THR A 15 2.362 12.846 4.630 1.00 0.00 N ATOM 199 CA THR A 15 3.789 13.173 4.393 1.00 0.00 C ATOM 200 C THR A 15 4.670 12.107 5.046 1.00 0.00 C ATOM 201 O THR A 15 4.221 11.346 5.881 1.00 0.00 O ATOM 202 CB THR A 15 4.004 14.520 5.065 1.00 0.00 C ATOM 203 OG1 THR A 15 2.923 15.386 4.749 1.00 0.00 O ATOM 204 CG2 THR A 15 5.313 15.122 4.562 1.00 0.00 C ATOM 0 H THR A 15 1.797 13.604 5.014 1.00 0.00 H new ATOM 0 HA THR A 15 4.041 13.206 3.333 1.00 0.00 H new ATOM 0 HB THR A 15 4.052 14.391 6.146 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.061 16.253 5.184 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.476 16.089 5.039 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.139 14.453 4.806 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.261 15.254 3.481 1.00 0.00 H new ATOM 212 N CYS A 16 5.914 12.034 4.670 1.00 0.00 N ATOM 213 CA CYS A 16 6.808 11.007 5.264 1.00 0.00 C ATOM 214 C CYS A 16 7.878 11.667 6.138 1.00 0.00 C ATOM 215 O CYS A 16 8.107 12.858 6.053 1.00 0.00 O ATOM 216 CB CYS A 16 7.445 10.318 4.061 1.00 0.00 C ATOM 217 SG CYS A 16 6.167 9.935 2.837 1.00 0.00 S ATOM 0 H CYS A 16 6.350 12.642 3.977 1.00 0.00 H new ATOM 0 HA CYS A 16 6.272 10.309 5.907 1.00 0.00 H new ATOM 0 HB2 CYS A 16 8.205 10.963 3.619 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.947 9.403 4.376 1.00 0.00 H new ATOM 222 N PRO A 17 8.499 10.859 6.952 1.00 0.00 N ATOM 223 CA PRO A 17 9.564 11.353 7.860 1.00 0.00 C ATOM 224 C PRO A 17 10.830 11.687 7.066 1.00 0.00 C ATOM 225 O PRO A 17 10.893 11.457 5.875 1.00 0.00 O ATOM 226 CB PRO A 17 9.803 10.174 8.801 1.00 0.00 C ATOM 227 CG PRO A 17 9.362 8.969 8.034 1.00 0.00 C ATOM 228 CD PRO A 17 8.269 9.418 7.100 1.00 0.00 C ATOM 0 HA PRO A 17 9.291 12.266 8.389 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.854 10.100 9.082 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.234 10.284 9.724 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.195 8.541 7.476 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.999 8.194 8.709 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.327 8.904 6.141 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.281 9.212 7.513 1.00 0.00 H new ATOM 236 N PRO A 18 11.803 12.220 7.757 1.00 0.00 N ATOM 237 CA PRO A 18 13.085 12.589 7.107 1.00 0.00 C ATOM 238 C PRO A 18 13.857 11.332 6.697 1.00 0.00 C ATOM 239 O PRO A 18 14.340 10.587 7.527 1.00 0.00 O ATOM 240 CB PRO A 18 13.828 13.364 8.193 1.00 0.00 C ATOM 241 CG PRO A 18 13.242 12.879 9.479 1.00 0.00 C ATOM 242 CD PRO A 18 11.805 12.527 9.193 1.00 0.00 C ATOM 0 HA PRO A 18 12.954 13.171 6.195 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.900 13.174 8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 18 13.690 14.439 8.076 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.787 12.011 9.850 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.306 13.648 10.248 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.476 11.674 9.786 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.135 13.355 9.427 1.00 0.00 H new ATOM 250 N GLY A 19 13.972 11.091 5.420 1.00 0.00 N ATOM 251 CA GLY A 19 14.706 9.884 4.945 1.00 0.00 C ATOM 252 C GLY A 19 14.142 9.455 3.592 1.00 0.00 C ATOM 253 O GLY A 19 14.832 9.456 2.593 1.00 0.00 O ATOM 0 H GLY A 19 13.587 11.681 4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.770 10.102 4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.606 9.074 5.668 1.00 0.00 H new ATOM 257 N GLU A 20 12.890 9.094 3.550 1.00 0.00 N ATOM 258 CA GLU A 20 12.278 8.675 2.266 1.00 0.00 C ATOM 259 C GLU A 20 12.145 9.884 1.340 1.00 0.00 C ATOM 260 O GLU A 20 11.366 10.784 1.585 1.00 0.00 O ATOM 261 CB GLU A 20 10.906 8.140 2.663 1.00 0.00 C ATOM 262 CG GLU A 20 11.077 6.790 3.362 1.00 0.00 C ATOM 263 CD GLU A 20 11.353 7.017 4.849 1.00 0.00 C ATOM 264 OE1 GLU A 20 10.399 7.077 5.607 1.00 0.00 O ATOM 265 OE2 GLU A 20 12.515 7.126 5.206 1.00 0.00 O ATOM 0 H GLU A 20 12.264 9.072 4.355 1.00 0.00 H new ATOM 0 HA GLU A 20 12.868 7.931 1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.405 8.846 3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.276 8.029 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.178 6.187 3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.899 6.235 2.909 1.00 0.00 H new ATOM 272 N ASN A 21 12.908 9.919 0.285 1.00 0.00 N ATOM 273 CA ASN A 21 12.834 11.076 -0.647 1.00 0.00 C ATOM 274 C ASN A 21 11.638 10.925 -1.587 1.00 0.00 C ATOM 275 O ASN A 21 11.240 11.861 -2.253 1.00 0.00 O ATOM 276 CB ASN A 21 14.144 11.031 -1.432 1.00 0.00 C ATOM 277 CG ASN A 21 15.319 10.815 -0.472 1.00 0.00 C ATOM 278 OD1 ASN A 21 16.391 10.425 -0.890 1.00 0.00 O ATOM 279 ND2 ASN A 21 15.167 11.052 0.804 1.00 0.00 N ATOM 0 H ASN A 21 13.580 9.196 0.028 1.00 0.00 H new ATOM 0 HA ASN A 21 12.704 12.023 -0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.111 10.227 -2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.280 11.961 -1.984 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.947 10.909 1.446 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.268 11.380 1.158 1.00 0.00 H new ATOM 286 N LEU A 22 11.059 9.757 -1.652 1.00 0.00 N ATOM 287 CA LEU A 22 9.891 9.564 -2.555 1.00 0.00 C ATOM 288 C LEU A 22 8.933 8.521 -1.987 1.00 0.00 C ATOM 289 O LEU A 22 9.135 7.992 -0.916 1.00 0.00 O ATOM 290 CB LEU A 22 10.480 9.068 -3.873 1.00 0.00 C ATOM 291 CG LEU A 22 11.046 7.658 -3.692 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.272 6.675 -4.576 1.00 0.00 C ATOM 293 CD2 LEU A 22 12.519 7.653 -4.100 1.00 0.00 C ATOM 0 H LEU A 22 11.343 8.933 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 22 9.322 10.486 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.712 9.065 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.266 9.745 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 22 10.950 7.358 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.677 5.672 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.220 6.681 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.368 6.972 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.928 6.651 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.608 7.952 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.072 8.353 -3.474 1.00 0.00 H new ATOM 305 N CYS A 23 7.893 8.223 -2.709 1.00 0.00 N ATOM 306 CA CYS A 23 6.915 7.213 -2.236 1.00 0.00 C ATOM 307 C CYS A 23 7.175 5.882 -2.933 1.00 0.00 C ATOM 308 O CYS A 23 8.029 5.777 -3.791 1.00 0.00 O ATOM 309 CB CYS A 23 5.568 7.766 -2.663 1.00 0.00 C ATOM 310 SG CYS A 23 5.412 9.475 -2.105 1.00 0.00 S ATOM 0 H CYS A 23 7.678 8.640 -3.614 1.00 0.00 H new ATOM 0 HA CYS A 23 6.974 7.038 -1.162 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.470 7.716 -3.747 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.765 7.161 -2.243 1.00 0.00 H new ATOM 315 N TYR A 24 6.438 4.867 -2.593 1.00 0.00 N ATOM 316 CA TYR A 24 6.655 3.562 -3.255 1.00 0.00 C ATOM 317 C TYR A 24 5.397 2.713 -3.231 1.00 0.00 C ATOM 318 O TYR A 24 4.702 2.648 -2.245 1.00 0.00 O ATOM 319 CB TYR A 24 7.756 2.878 -2.454 1.00 0.00 C ATOM 320 CG TYR A 24 7.187 2.397 -1.145 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.476 1.197 -1.097 1.00 0.00 C ATOM 322 CD2 TYR A 24 7.365 3.152 0.010 1.00 0.00 C ATOM 323 CE1 TYR A 24 5.943 0.749 0.117 1.00 0.00 C ATOM 324 CE2 TYR A 24 6.834 2.708 1.228 1.00 0.00 C ATOM 325 CZ TYR A 24 6.123 1.504 1.281 1.00 0.00 C ATOM 326 OH TYR A 24 5.598 1.064 2.478 1.00 0.00 O ATOM 0 H TYR A 24 5.700 4.886 -1.889 1.00 0.00 H new ATOM 0 HA TYR A 24 6.923 3.696 -4.303 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.165 2.039 -3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.577 3.572 -2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.337 0.615 -1.996 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.913 4.082 -0.032 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.393 -0.180 0.155 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.973 3.294 2.124 1.00 0.00 H new ATOM 0 HH TYR A 24 5.815 1.706 3.186 1.00 0.00 H new ATOM 336 N ARG A 25 5.123 2.034 -4.299 1.00 0.00 N ATOM 337 CA ARG A 25 3.924 1.154 -4.323 1.00 0.00 C ATOM 338 C ARG A 25 4.388 -0.294 -4.144 1.00 0.00 C ATOM 339 O ARG A 25 5.167 -0.794 -4.925 1.00 0.00 O ATOM 340 CB ARG A 25 3.303 1.355 -5.706 1.00 0.00 C ATOM 341 CG ARG A 25 3.062 2.847 -5.949 1.00 0.00 C ATOM 342 CD ARG A 25 4.027 3.352 -7.024 1.00 0.00 C ATOM 343 NE ARG A 25 3.284 4.432 -7.731 1.00 0.00 N ATOM 344 CZ ARG A 25 2.750 4.201 -8.899 1.00 0.00 C ATOM 345 NH1 ARG A 25 1.560 3.672 -8.979 1.00 0.00 N ATOM 346 NH2 ARG A 25 3.406 4.498 -9.987 1.00 0.00 N ATOM 0 H ARG A 25 5.673 2.047 -5.158 1.00 0.00 H new ATOM 0 HA ARG A 25 3.206 1.382 -3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.964 0.953 -6.474 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.363 0.808 -5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.032 3.013 -6.263 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.207 3.405 -5.024 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.948 3.731 -6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.308 2.552 -7.709 1.00 0.00 H new ATOM 0 HE ARG A 25 3.193 5.353 -7.302 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.047 3.439 -8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.142 3.491 -9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.337 4.911 -9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.988 4.317 -10.900 1.00 0.00 H new ATOM 360 N LYS A 26 3.946 -0.974 -3.125 1.00 0.00 N ATOM 361 CA LYS A 26 4.423 -2.367 -2.928 1.00 0.00 C ATOM 362 C LYS A 26 3.289 -3.372 -3.054 1.00 0.00 C ATOM 363 O LYS A 26 2.132 -3.023 -3.181 1.00 0.00 O ATOM 364 CB LYS A 26 4.977 -2.387 -1.510 1.00 0.00 C ATOM 365 CG LYS A 26 6.451 -2.800 -1.529 1.00 0.00 C ATOM 366 CD LYS A 26 7.237 -1.987 -0.496 1.00 0.00 C ATOM 367 CE LYS A 26 6.554 -2.079 0.872 1.00 0.00 C ATOM 368 NZ LYS A 26 7.248 -3.197 1.571 1.00 0.00 N ATOM 0 H LYS A 26 3.284 -0.631 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 26 5.162 -2.644 -3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.873 -1.401 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.404 -3.082 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.542 -3.864 -1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.869 -2.641 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.259 -2.361 -0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.299 -0.945 -0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.651 -1.145 1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.487 -2.279 0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.569 -3.962 1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.016 -3.558 0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.643 -2.853 2.469 1.00 0.00 H new ATOM 382 N MET A 27 3.628 -4.626 -3.023 1.00 0.00 N ATOM 383 CA MET A 27 2.601 -5.683 -3.142 1.00 0.00 C ATOM 384 C MET A 27 3.186 -7.027 -2.750 1.00 0.00 C ATOM 385 O MET A 27 4.357 -7.290 -2.935 1.00 0.00 O ATOM 386 CB MET A 27 2.237 -5.679 -4.621 1.00 0.00 C ATOM 387 CG MET A 27 0.964 -4.868 -4.844 1.00 0.00 C ATOM 388 SD MET A 27 1.259 -3.623 -6.125 1.00 0.00 S ATOM 389 CE MET A 27 0.006 -4.200 -7.297 1.00 0.00 C ATOM 0 H MET A 27 4.585 -4.965 -2.919 1.00 0.00 H new ATOM 0 HA MET A 27 1.741 -5.511 -2.495 1.00 0.00 H new ATOM 0 HB2 MET A 27 3.055 -5.255 -5.204 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.093 -6.701 -4.971 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.148 -5.526 -5.143 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.660 -4.385 -3.915 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.518 -3.343 -7.720 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.488 -4.762 -8.097 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.707 -4.842 -6.780 1.00 0.00 H new ATOM 399 N TRP A 28 2.375 -7.884 -2.210 1.00 0.00 N ATOM 400 CA TRP A 28 2.886 -9.211 -1.812 1.00 0.00 C ATOM 401 C TRP A 28 1.776 -10.258 -1.834 1.00 0.00 C ATOM 402 O TRP A 28 1.840 -11.264 -2.514 1.00 0.00 O ATOM 403 CB TRP A 28 3.403 -9.058 -0.369 1.00 0.00 C ATOM 404 CG TRP A 28 2.764 -7.926 0.408 1.00 0.00 C ATOM 405 CD1 TRP A 28 1.597 -7.993 1.109 1.00 0.00 C ATOM 406 CD2 TRP A 28 3.291 -6.595 0.655 1.00 0.00 C ATOM 407 NE1 TRP A 28 1.361 -6.775 1.713 1.00 0.00 N ATOM 408 CE2 TRP A 28 2.377 -5.884 1.470 1.00 0.00 C ATOM 409 CE3 TRP A 28 4.452 -5.937 0.239 1.00 0.00 C ATOM 410 CZ2 TRP A 28 2.612 -4.572 1.861 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.699 -4.616 0.634 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.780 -3.932 1.442 1.00 0.00 C ATOM 0 H TRP A 28 1.384 -7.722 -2.029 1.00 0.00 H new ATOM 0 HA TRP A 28 3.664 -9.540 -2.501 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.232 -9.992 0.166 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.481 -8.900 -0.397 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.959 -8.861 1.180 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.534 -6.563 2.271 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.163 -6.450 -0.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.898 -4.052 2.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.604 -4.121 0.314 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.975 -2.912 1.740 1.00 0.00 H new ATOM 423 N CYS A 29 0.791 -10.013 -1.046 1.00 0.00 N ATOM 424 CA CYS A 29 -0.367 -10.930 -0.881 1.00 0.00 C ATOM 425 C CYS A 29 -1.112 -10.478 0.379 1.00 0.00 C ATOM 426 O CYS A 29 -1.117 -9.310 0.704 1.00 0.00 O ATOM 427 CB CYS A 29 0.251 -12.312 -0.671 1.00 0.00 C ATOM 428 SG CYS A 29 -0.407 -13.461 -1.903 1.00 0.00 S ATOM 0 H CYS A 29 0.730 -9.170 -0.475 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.059 -10.938 -1.723 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.336 -12.253 -0.756 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.029 -12.673 0.333 1.00 0.00 H new ATOM 433 N ASP A 30 -1.713 -11.370 1.114 1.00 0.00 N ATOM 434 CA ASP A 30 -2.413 -10.934 2.358 1.00 0.00 C ATOM 435 C ASP A 30 -2.672 -12.137 3.275 1.00 0.00 C ATOM 436 O ASP A 30 -1.766 -12.884 3.588 1.00 0.00 O ATOM 437 CB ASP A 30 -3.714 -10.293 1.878 1.00 0.00 C ATOM 438 CG ASP A 30 -4.326 -9.462 3.008 1.00 0.00 C ATOM 439 OD1 ASP A 30 -3.577 -9.016 3.861 1.00 0.00 O ATOM 440 OD2 ASP A 30 -5.533 -9.286 3.001 1.00 0.00 O ATOM 0 H ASP A 30 -1.752 -12.369 0.913 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.823 -10.232 2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.521 -9.660 1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.415 -11.064 1.560 1.00 0.00 H new ATOM 445 N ALA A 31 -3.888 -12.331 3.718 1.00 0.00 N ATOM 446 CA ALA A 31 -4.175 -13.487 4.618 1.00 0.00 C ATOM 447 C ALA A 31 -3.436 -14.733 4.126 1.00 0.00 C ATOM 448 O ALA A 31 -2.437 -15.137 4.687 1.00 0.00 O ATOM 449 CB ALA A 31 -5.688 -13.691 4.530 1.00 0.00 C ATOM 0 H ALA A 31 -4.691 -11.742 3.496 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.848 -13.306 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.980 -14.527 5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.197 -12.786 4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.967 -13.906 3.498 1.00 0.00 H new ATOM 455 N PHE A 32 -3.916 -15.336 3.077 1.00 0.00 N ATOM 456 CA PHE A 32 -3.241 -16.549 2.537 1.00 0.00 C ATOM 457 C PHE A 32 -3.252 -16.503 1.008 1.00 0.00 C ATOM 458 O PHE A 32 -3.416 -17.509 0.347 1.00 0.00 O ATOM 459 CB PHE A 32 -4.072 -17.727 3.049 1.00 0.00 C ATOM 460 CG PHE A 32 -3.760 -17.967 4.506 1.00 0.00 C ATOM 461 CD1 PHE A 32 -4.303 -17.126 5.486 1.00 0.00 C ATOM 462 CD2 PHE A 32 -2.929 -19.030 4.879 1.00 0.00 C ATOM 463 CE1 PHE A 32 -4.014 -17.348 6.837 1.00 0.00 C ATOM 464 CE2 PHE A 32 -2.641 -19.252 6.231 1.00 0.00 C ATOM 465 CZ PHE A 32 -3.183 -18.411 7.210 1.00 0.00 C ATOM 0 H PHE A 32 -4.749 -15.041 2.568 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.200 -16.626 2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.134 -17.518 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.852 -18.622 2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.945 -16.306 5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.510 -19.679 4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.432 -16.699 7.592 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.000 -20.072 6.519 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.960 -18.582 8.253 1.00 0.00 H new ATOM 475 N CYS A 33 -3.087 -15.336 0.444 1.00 0.00 N ATOM 476 CA CYS A 33 -3.098 -15.217 -1.042 1.00 0.00 C ATOM 477 C CYS A 33 -4.409 -15.779 -1.591 1.00 0.00 C ATOM 478 O CYS A 33 -4.650 -16.969 -1.552 1.00 0.00 O ATOM 479 CB CYS A 33 -1.908 -16.046 -1.520 1.00 0.00 C ATOM 480 SG CYS A 33 -0.373 -15.256 -0.980 1.00 0.00 S ATOM 0 H CYS A 33 -2.945 -14.461 0.948 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.024 -14.184 -1.381 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.970 -17.058 -1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.923 -16.132 -2.606 1.00 0.00 H new ATOM 485 N SER A 34 -5.266 -14.934 -2.093 1.00 0.00 N ATOM 486 CA SER A 34 -6.567 -15.433 -2.627 1.00 0.00 C ATOM 487 C SER A 34 -6.813 -14.908 -4.044 1.00 0.00 C ATOM 488 O SER A 34 -5.904 -14.483 -4.728 1.00 0.00 O ATOM 489 CB SER A 34 -7.622 -14.886 -1.667 1.00 0.00 C ATOM 490 OG SER A 34 -8.236 -15.968 -0.979 1.00 0.00 O ATOM 0 H SER A 34 -5.125 -13.926 -2.157 1.00 0.00 H new ATOM 0 HA SER A 34 -6.589 -16.521 -2.691 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.162 -14.201 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.372 -14.318 -2.217 1.00 0.00 H new ATOM 0 HG SER A 34 -8.912 -15.621 -0.361 1.00 0.00 H new ATOM 496 N SER A 35 -8.042 -14.937 -4.485 1.00 0.00 N ATOM 497 CA SER A 35 -8.360 -14.445 -5.856 1.00 0.00 C ATOM 498 C SER A 35 -8.235 -12.920 -5.912 1.00 0.00 C ATOM 499 O SER A 35 -8.392 -12.313 -6.952 1.00 0.00 O ATOM 500 CB SER A 35 -9.804 -14.876 -6.105 1.00 0.00 C ATOM 501 OG SER A 35 -9.959 -16.238 -5.727 1.00 0.00 O ATOM 0 H SER A 35 -8.841 -15.281 -3.953 1.00 0.00 H new ATOM 0 HA SER A 35 -7.681 -14.846 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.487 -14.248 -5.533 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.058 -14.747 -7.157 1.00 0.00 H new ATOM 0 HG SER A 35 -10.885 -16.518 -5.884 1.00 0.00 H new ATOM 507 N ARG A 36 -7.948 -12.298 -4.801 1.00 0.00 N ATOM 508 CA ARG A 36 -7.807 -10.814 -4.792 1.00 0.00 C ATOM 509 C ARG A 36 -6.369 -10.424 -5.147 1.00 0.00 C ATOM 510 O ARG A 36 -5.868 -9.407 -4.709 1.00 0.00 O ATOM 511 CB ARG A 36 -8.133 -10.393 -3.358 1.00 0.00 C ATOM 512 CG ARG A 36 -9.649 -10.314 -3.176 1.00 0.00 C ATOM 513 CD ARG A 36 -9.990 -10.380 -1.686 1.00 0.00 C ATOM 514 NE ARG A 36 -9.832 -11.815 -1.320 1.00 0.00 N ATOM 515 CZ ARG A 36 -10.676 -12.376 -0.497 1.00 0.00 C ATOM 516 NH1 ARG A 36 -10.652 -12.070 0.771 1.00 0.00 N ATOM 517 NH2 ARG A 36 -11.543 -13.244 -0.943 1.00 0.00 N ATOM 0 H ARG A 36 -7.805 -12.753 -3.899 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.462 -10.331 -5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.709 -11.109 -2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.680 -9.426 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.029 -9.387 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.133 -11.134 -3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.324 -9.747 -1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.006 -10.034 -1.498 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.064 -12.360 -1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.974 -11.392 1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.311 -12.508 1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.561 -13.484 -1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.203 -13.682 -0.300 1.00 0.00 H new ATOM 531 N GLY A 37 -5.698 -11.227 -5.929 1.00 0.00 N ATOM 532 CA GLY A 37 -4.293 -10.899 -6.297 1.00 0.00 C ATOM 533 C GLY A 37 -3.546 -10.454 -5.041 1.00 0.00 C ATOM 534 O GLY A 37 -3.916 -10.800 -3.936 1.00 0.00 O ATOM 0 H GLY A 37 -6.062 -12.093 -6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.806 -11.769 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.274 -10.109 -7.047 1.00 0.00 H new ATOM 538 N LYS A 38 -2.511 -9.679 -5.191 1.00 0.00 N ATOM 539 CA LYS A 38 -1.768 -9.208 -3.994 1.00 0.00 C ATOM 540 C LYS A 38 -2.362 -7.883 -3.532 1.00 0.00 C ATOM 541 O LYS A 38 -3.038 -7.207 -4.282 1.00 0.00 O ATOM 542 CB LYS A 38 -0.325 -9.012 -4.460 1.00 0.00 C ATOM 543 CG LYS A 38 0.299 -10.369 -4.788 1.00 0.00 C ATOM 544 CD LYS A 38 0.165 -10.644 -6.287 1.00 0.00 C ATOM 545 CE LYS A 38 1.338 -11.509 -6.755 1.00 0.00 C ATOM 546 NZ LYS A 38 0.707 -12.679 -7.428 1.00 0.00 N ATOM 0 H LYS A 38 -2.149 -9.353 -6.087 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.823 -9.910 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.301 -8.368 -5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.254 -8.513 -3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.350 -10.377 -4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.195 -11.156 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.778 -11.150 -6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.149 -9.705 -6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.985 -10.961 -7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.957 -11.823 -5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.448 -13.320 -7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.103 -13.185 -6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.129 -12.350 -8.228 1.00 0.00 H new ATOM 560 N VAL A 39 -2.106 -7.485 -2.322 1.00 0.00 N ATOM 561 CA VAL A 39 -2.655 -6.182 -1.866 1.00 0.00 C ATOM 562 C VAL A 39 -1.922 -5.079 -2.626 1.00 0.00 C ATOM 563 O VAL A 39 -1.127 -5.350 -3.499 1.00 0.00 O ATOM 564 CB VAL A 39 -2.360 -6.099 -0.358 1.00 0.00 C ATOM 565 CG1 VAL A 39 -3.156 -4.952 0.265 1.00 0.00 C ATOM 566 CG2 VAL A 39 -2.770 -7.396 0.340 1.00 0.00 C ATOM 0 H VAL A 39 -1.549 -7.996 -1.637 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.725 -6.078 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.290 -5.933 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.943 -4.899 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.872 -4.012 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.222 -5.126 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.554 -7.320 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.837 -7.564 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.211 -8.230 -0.084 1.00 0.00 H new ATOM 576 N VAL A 40 -2.145 -3.853 -2.283 1.00 0.00 N ATOM 577 CA VAL A 40 -1.427 -2.746 -2.950 1.00 0.00 C ATOM 578 C VAL A 40 -1.037 -1.805 -1.851 1.00 0.00 C ATOM 579 O VAL A 40 -1.780 -0.925 -1.464 1.00 0.00 O ATOM 580 CB VAL A 40 -2.398 -2.086 -3.907 1.00 0.00 C ATOM 581 CG1 VAL A 40 -1.743 -0.816 -4.433 1.00 0.00 C ATOM 582 CG2 VAL A 40 -2.678 -3.025 -5.075 1.00 0.00 C ATOM 0 H VAL A 40 -2.803 -3.565 -1.559 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.548 -3.065 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.335 -1.856 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.420 -0.318 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.521 -0.149 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.818 -1.071 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.377 -2.550 -5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.747 -3.244 -5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.111 -3.952 -4.700 1.00 0.00 H new ATOM 592 N GLU A 41 0.087 -2.039 -1.286 1.00 0.00 N ATOM 593 CA GLU A 41 0.493 -1.223 -0.139 1.00 0.00 C ATOM 594 C GLU A 41 1.698 -0.355 -0.466 1.00 0.00 C ATOM 595 O GLU A 41 2.827 -0.802 -0.480 1.00 0.00 O ATOM 596 CB GLU A 41 0.796 -2.268 0.928 1.00 0.00 C ATOM 597 CG GLU A 41 -0.362 -3.266 1.009 1.00 0.00 C ATOM 598 CD GLU A 41 -0.450 -3.833 2.427 1.00 0.00 C ATOM 599 OE1 GLU A 41 -0.157 -3.098 3.357 1.00 0.00 O ATOM 600 OE2 GLU A 41 -0.809 -4.991 2.560 1.00 0.00 O ATOM 0 H GLU A 41 0.748 -2.763 -1.568 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.267 -0.508 0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.723 -2.789 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.942 -1.785 1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.298 -2.775 0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.211 -4.073 0.292 1.00 0.00 H new ATOM 607 N LEU A 42 1.448 0.896 -0.724 1.00 0.00 N ATOM 608 CA LEU A 42 2.551 1.834 -1.053 1.00 0.00 C ATOM 609 C LEU A 42 2.966 2.591 0.207 1.00 0.00 C ATOM 610 O LEU A 42 2.617 2.221 1.310 1.00 0.00 O ATOM 611 CB LEU A 42 1.981 2.824 -2.087 1.00 0.00 C ATOM 612 CG LEU A 42 0.787 2.221 -2.837 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.514 2.683 -2.179 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.811 2.699 -4.287 1.00 0.00 C ATOM 0 H LEU A 42 0.517 1.312 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 42 3.423 1.309 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.672 3.740 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.760 3.098 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 42 0.848 1.133 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.363 2.255 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.533 2.353 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.574 3.771 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.036 2.273 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.747 3.787 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.739 2.379 -4.760 1.00 0.00 H new ATOM 626 N GLY A 43 3.693 3.660 0.051 1.00 0.00 N ATOM 627 CA GLY A 43 4.110 4.451 1.253 1.00 0.00 C ATOM 628 C GLY A 43 5.346 5.303 0.932 1.00 0.00 C ATOM 629 O GLY A 43 5.441 5.890 -0.124 1.00 0.00 O ATOM 0 H GLY A 43 4.017 4.022 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.291 5.094 1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.330 3.777 2.081 1.00 0.00 H new ATOM 633 N CYS A 44 6.282 5.403 1.842 1.00 0.00 N ATOM 634 CA CYS A 44 7.485 6.240 1.578 1.00 0.00 C ATOM 635 C CYS A 44 8.760 5.394 1.599 1.00 0.00 C ATOM 636 O CYS A 44 8.791 4.306 2.138 1.00 0.00 O ATOM 637 CB CYS A 44 7.525 7.242 2.725 1.00 0.00 C ATOM 638 SG CYS A 44 5.881 7.943 3.004 1.00 0.00 S ATOM 0 H CYS A 44 6.263 4.942 2.752 1.00 0.00 H new ATOM 0 HA CYS A 44 7.431 6.715 0.598 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.878 6.752 3.633 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.233 8.038 2.497 1.00 0.00 H new ATOM 643 N ALA A 45 9.817 5.896 1.025 1.00 0.00 N ATOM 644 CA ALA A 45 11.093 5.140 1.017 1.00 0.00 C ATOM 645 C ALA A 45 12.240 6.035 0.542 1.00 0.00 C ATOM 646 O ALA A 45 12.047 6.952 -0.233 1.00 0.00 O ATOM 647 CB ALA A 45 10.870 3.985 0.042 1.00 0.00 C ATOM 0 H ALA A 45 9.849 6.803 0.559 1.00 0.00 H new ATOM 0 HA ALA A 45 11.364 4.783 2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.774 3.379 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.042 3.368 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.635 4.383 -0.945 1.00 0.00 H new ATOM 653 N ALA A 46 13.434 5.777 1.005 1.00 0.00 N ATOM 654 CA ALA A 46 14.596 6.611 0.587 1.00 0.00 C ATOM 655 C ALA A 46 14.958 6.320 -0.872 1.00 0.00 C ATOM 656 O ALA A 46 15.490 7.160 -1.570 1.00 0.00 O ATOM 657 CB ALA A 46 15.737 6.196 1.515 1.00 0.00 C ATOM 0 H ALA A 46 13.654 5.023 1.656 1.00 0.00 H new ATOM 0 HA ALA A 46 14.384 7.678 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.632 6.768 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.454 6.391 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.940 5.133 1.389 1.00 0.00 H new ATOM 663 N THR A 47 14.673 5.134 -1.337 1.00 0.00 N ATOM 664 CA THR A 47 15.001 4.787 -2.750 1.00 0.00 C ATOM 665 C THR A 47 14.270 3.506 -3.159 1.00 0.00 C ATOM 666 O THR A 47 14.127 2.587 -2.378 1.00 0.00 O ATOM 667 CB THR A 47 16.515 4.569 -2.763 1.00 0.00 C ATOM 668 OG1 THR A 47 16.928 4.055 -1.505 1.00 0.00 O ATOM 669 CG2 THR A 47 17.221 5.899 -3.030 1.00 0.00 C ATOM 0 H THR A 47 14.227 4.390 -0.800 1.00 0.00 H new ATOM 0 HA THR A 47 14.696 5.565 -3.450 1.00 0.00 H new ATOM 0 HB THR A 47 16.774 3.859 -3.549 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.898 3.913 -1.512 1.00 0.00 H new ATOM 0 HG21 THR A 47 18.300 5.743 -3.039 1.00 0.00 H new ATOM 0 HG22 THR A 47 16.903 6.292 -3.996 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.964 6.611 -2.246 1.00 0.00 H new ATOM 677 N CYS A 48 13.805 3.440 -4.379 1.00 0.00 N ATOM 678 CA CYS A 48 13.079 2.219 -4.841 1.00 0.00 C ATOM 679 C CYS A 48 13.778 0.958 -4.323 1.00 0.00 C ATOM 680 O CYS A 48 14.776 0.533 -4.869 1.00 0.00 O ATOM 681 CB CYS A 48 13.142 2.273 -6.369 1.00 0.00 C ATOM 682 SG CYS A 48 12.429 3.830 -6.957 1.00 0.00 S ATOM 0 H CYS A 48 13.896 4.179 -5.076 1.00 0.00 H new ATOM 0 HA CYS A 48 12.053 2.188 -4.475 1.00 0.00 H new ATOM 0 HB2 CYS A 48 14.176 2.187 -6.703 1.00 0.00 H new ATOM 0 HB3 CYS A 48 12.598 1.430 -6.795 1.00 0.00 H new ATOM 687 N PRO A 49 13.224 0.402 -3.279 1.00 0.00 N ATOM 688 CA PRO A 49 13.799 -0.823 -2.675 1.00 0.00 C ATOM 689 C PRO A 49 13.450 -2.049 -3.523 1.00 0.00 C ATOM 690 O PRO A 49 12.295 -2.357 -3.738 1.00 0.00 O ATOM 691 CB PRO A 49 13.122 -0.899 -1.311 1.00 0.00 C ATOM 692 CG PRO A 49 11.834 -0.153 -1.467 1.00 0.00 C ATOM 693 CD PRO A 49 12.024 0.859 -2.570 1.00 0.00 C ATOM 0 HA PRO A 49 14.887 -0.798 -2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.944 -1.934 -1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.745 -0.451 -0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.022 -0.838 -1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.563 0.343 -0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.159 0.892 -3.233 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.157 1.864 -2.169 1.00 0.00 H new ATOM 701 N SER A 50 14.438 -2.753 -4.006 1.00 0.00 N ATOM 702 CA SER A 50 14.153 -3.957 -4.839 1.00 0.00 C ATOM 703 C SER A 50 15.054 -5.122 -4.419 1.00 0.00 C ATOM 704 O SER A 50 16.260 -5.071 -4.559 1.00 0.00 O ATOM 705 CB SER A 50 14.463 -3.532 -6.272 1.00 0.00 C ATOM 706 OG SER A 50 13.542 -2.527 -6.674 1.00 0.00 O ATOM 0 H SER A 50 15.427 -2.548 -3.861 1.00 0.00 H new ATOM 0 HA SER A 50 13.124 -4.297 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.483 -3.154 -6.339 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.397 -4.390 -6.940 1.00 0.00 H new ATOM 0 HG SER A 50 13.740 -2.251 -7.593 1.00 0.00 H new ATOM 712 N LYS A 51 14.474 -6.172 -3.908 1.00 0.00 N ATOM 713 CA LYS A 51 15.291 -7.345 -3.481 1.00 0.00 C ATOM 714 C LYS A 51 14.378 -8.524 -3.141 1.00 0.00 C ATOM 715 O LYS A 51 14.456 -9.094 -2.072 1.00 0.00 O ATOM 716 CB LYS A 51 16.044 -6.873 -2.237 1.00 0.00 C ATOM 717 CG LYS A 51 15.056 -6.250 -1.248 1.00 0.00 C ATOM 718 CD LYS A 51 15.564 -4.872 -0.819 1.00 0.00 C ATOM 719 CE LYS A 51 16.806 -5.037 0.059 1.00 0.00 C ATOM 720 NZ LYS A 51 17.377 -3.666 0.177 1.00 0.00 N ATOM 0 H LYS A 51 13.469 -6.270 -3.767 1.00 0.00 H new ATOM 0 HA LYS A 51 15.971 -7.683 -4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 51 16.561 -7.712 -1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.806 -6.144 -2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.072 -6.159 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.942 -6.895 -0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.803 -4.271 -1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.786 -4.340 -0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.547 -5.443 1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.521 -5.725 -0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.234 -3.696 0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 17.620 -3.308 -0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.677 -3.035 0.616 1.00 0.00 H new ATOM 734 N LYS A 52 13.512 -8.893 -4.044 1.00 0.00 N ATOM 735 CA LYS A 52 12.592 -10.034 -3.774 1.00 0.00 C ATOM 736 C LYS A 52 11.848 -10.419 -5.054 1.00 0.00 C ATOM 737 O LYS A 52 10.884 -9.782 -5.429 1.00 0.00 O ATOM 738 CB LYS A 52 11.615 -9.516 -2.718 1.00 0.00 C ATOM 739 CG LYS A 52 12.127 -9.885 -1.324 1.00 0.00 C ATOM 740 CD LYS A 52 10.942 -10.224 -0.417 1.00 0.00 C ATOM 741 CE LYS A 52 11.441 -10.461 1.010 1.00 0.00 C ATOM 742 NZ LYS A 52 10.246 -10.941 1.758 1.00 0.00 N ATOM 0 H LYS A 52 13.401 -8.454 -4.958 1.00 0.00 H new ATOM 0 HA LYS A 52 13.122 -10.923 -3.433 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.510 -8.434 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.627 -9.946 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.805 -10.736 -1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.695 -9.056 -0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.217 -9.410 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.430 -11.113 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.243 -11.199 1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.839 -9.545 1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.507 -11.126 2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.502 -10.215 1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.893 -11.818 1.323 1.00 0.00 H new ATOM 756 N PRO A 53 12.329 -11.455 -5.684 1.00 0.00 N ATOM 757 CA PRO A 53 11.713 -11.945 -6.946 1.00 0.00 C ATOM 758 C PRO A 53 10.289 -12.483 -6.728 1.00 0.00 C ATOM 759 O PRO A 53 9.632 -12.896 -7.663 1.00 0.00 O ATOM 760 CB PRO A 53 12.664 -13.053 -7.396 1.00 0.00 C ATOM 761 CG PRO A 53 13.344 -13.496 -6.144 1.00 0.00 C ATOM 762 CD PRO A 53 13.487 -12.263 -5.294 1.00 0.00 C ATOM 0 HA PRO A 53 11.596 -11.153 -7.685 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.122 -13.874 -7.865 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.382 -12.686 -8.129 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.759 -14.259 -5.630 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.318 -13.935 -6.363 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.472 -12.502 -4.231 1.00 0.00 H new ATOM 0 HD3 PRO A 53 14.425 -11.744 -5.491 1.00 0.00 H new ATOM 770 N TYR A 54 9.796 -12.474 -5.519 1.00 0.00 N ATOM 771 CA TYR A 54 8.406 -12.978 -5.278 1.00 0.00 C ATOM 772 C TYR A 54 7.515 -11.833 -4.789 1.00 0.00 C ATOM 773 O TYR A 54 6.332 -12.002 -4.572 1.00 0.00 O ATOM 774 CB TYR A 54 8.502 -14.080 -4.204 1.00 0.00 C ATOM 775 CG TYR A 54 9.799 -13.977 -3.433 1.00 0.00 C ATOM 776 CD1 TYR A 54 11.005 -14.302 -4.060 1.00 0.00 C ATOM 777 CD2 TYR A 54 9.793 -13.556 -2.098 1.00 0.00 C ATOM 778 CE1 TYR A 54 12.206 -14.205 -3.357 1.00 0.00 C ATOM 779 CE2 TYR A 54 10.998 -13.459 -1.392 1.00 0.00 C ATOM 780 CZ TYR A 54 12.206 -13.783 -2.022 1.00 0.00 C ATOM 781 OH TYR A 54 13.394 -13.688 -1.327 1.00 0.00 O ATOM 0 H TYR A 54 10.289 -12.142 -4.690 1.00 0.00 H new ATOM 0 HA TYR A 54 7.969 -13.374 -6.194 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.660 -13.997 -3.517 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.433 -15.060 -4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.007 -14.628 -5.089 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.861 -13.306 -1.614 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.137 -14.456 -3.843 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.996 -13.134 -0.362 1.00 0.00 H new ATOM 0 HH TYR A 54 13.215 -13.380 -0.414 1.00 0.00 H new ATOM 791 N GLU A 55 8.075 -10.666 -4.623 1.00 0.00 N ATOM 792 CA GLU A 55 7.263 -9.506 -4.158 1.00 0.00 C ATOM 793 C GLU A 55 7.091 -8.505 -5.305 1.00 0.00 C ATOM 794 O GLU A 55 7.247 -8.844 -6.461 1.00 0.00 O ATOM 795 CB GLU A 55 8.073 -8.891 -3.016 1.00 0.00 C ATOM 796 CG GLU A 55 7.869 -9.720 -1.747 1.00 0.00 C ATOM 797 CD GLU A 55 7.274 -8.837 -0.649 1.00 0.00 C ATOM 798 OE1 GLU A 55 6.656 -7.841 -0.988 1.00 0.00 O ATOM 799 OE2 GLU A 55 7.445 -9.172 0.511 1.00 0.00 O ATOM 0 H GLU A 55 9.061 -10.466 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 55 6.264 -9.794 -3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.130 -8.862 -3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.759 -7.861 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.205 -10.560 -1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.820 -10.138 -1.416 1.00 0.00 H new ATOM 806 N GLU A 56 6.770 -7.277 -5.003 1.00 0.00 N ATOM 807 CA GLU A 56 6.593 -6.272 -6.090 1.00 0.00 C ATOM 808 C GLU A 56 6.631 -4.852 -5.519 1.00 0.00 C ATOM 809 O GLU A 56 5.628 -4.321 -5.084 1.00 0.00 O ATOM 810 CB GLU A 56 5.217 -6.574 -6.683 1.00 0.00 C ATOM 811 CG GLU A 56 5.284 -6.471 -8.208 1.00 0.00 C ATOM 812 CD GLU A 56 5.255 -7.875 -8.815 1.00 0.00 C ATOM 813 OE1 GLU A 56 4.239 -8.537 -8.681 1.00 0.00 O ATOM 814 OE2 GLU A 56 6.250 -8.264 -9.405 1.00 0.00 O ATOM 0 H GLU A 56 6.623 -6.927 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 56 7.385 -6.330 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.894 -7.573 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.479 -5.873 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.444 -5.884 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.194 -5.952 -8.509 1.00 0.00 H new ATOM 821 N VAL A 57 7.779 -4.232 -5.519 1.00 0.00 N ATOM 822 CA VAL A 57 7.874 -2.846 -4.979 1.00 0.00 C ATOM 823 C VAL A 57 7.955 -1.837 -6.132 1.00 0.00 C ATOM 824 O VAL A 57 8.432 -2.147 -7.206 1.00 0.00 O ATOM 825 CB VAL A 57 9.160 -2.825 -4.154 1.00 0.00 C ATOM 826 CG1 VAL A 57 9.324 -1.454 -3.495 1.00 0.00 C ATOM 827 CG2 VAL A 57 9.088 -3.904 -3.070 1.00 0.00 C ATOM 0 H VAL A 57 8.653 -4.624 -5.869 1.00 0.00 H new ATOM 0 HA VAL A 57 7.005 -2.576 -4.379 1.00 0.00 H new ATOM 0 HB VAL A 57 10.011 -3.019 -4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.242 -1.440 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.375 -0.684 -4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.472 -1.259 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.005 -3.890 -2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.236 -3.710 -2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.972 -4.882 -3.537 1.00 0.00 H new ATOM 837 N THR A 58 7.492 -0.635 -5.920 1.00 0.00 N ATOM 838 CA THR A 58 7.542 0.391 -7.003 1.00 0.00 C ATOM 839 C THR A 58 7.837 1.768 -6.406 1.00 0.00 C ATOM 840 O THR A 58 8.047 1.904 -5.217 1.00 0.00 O ATOM 841 CB THR A 58 6.153 0.369 -7.643 1.00 0.00 C ATOM 842 OG1 THR A 58 5.462 -0.805 -7.238 1.00 0.00 O ATOM 843 CG2 THR A 58 6.291 0.381 -9.167 1.00 0.00 C ATOM 0 H THR A 58 7.080 -0.318 -5.042 1.00 0.00 H new ATOM 0 HA THR A 58 8.325 0.183 -7.732 1.00 0.00 H new ATOM 0 HB THR A 58 5.593 1.248 -7.323 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.078 -0.668 -6.347 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.301 0.365 -9.622 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.819 1.283 -9.477 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.852 -0.497 -9.488 1.00 0.00 H new ATOM 851 N CYS A 59 7.835 2.794 -7.213 1.00 0.00 N ATOM 852 CA CYS A 59 8.101 4.155 -6.670 1.00 0.00 C ATOM 853 C CYS A 59 7.129 5.173 -7.235 1.00 0.00 C ATOM 854 O CYS A 59 6.348 4.899 -8.124 1.00 0.00 O ATOM 855 CB CYS A 59 9.493 4.538 -7.137 1.00 0.00 C ATOM 856 SG CYS A 59 10.716 4.025 -5.904 1.00 0.00 S ATOM 0 H CYS A 59 7.662 2.749 -8.217 1.00 0.00 H new ATOM 0 HA CYS A 59 7.999 4.145 -5.585 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.708 4.065 -8.095 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.551 5.615 -7.294 1.00 0.00 H new ATOM 861 N CYS A 60 7.221 6.366 -6.741 1.00 0.00 N ATOM 862 CA CYS A 60 6.361 7.460 -7.252 1.00 0.00 C ATOM 863 C CYS A 60 6.824 8.789 -6.636 1.00 0.00 C ATOM 864 O CYS A 60 6.845 8.950 -5.432 1.00 0.00 O ATOM 865 CB CYS A 60 4.915 7.060 -6.878 1.00 0.00 C ATOM 866 SG CYS A 60 4.178 8.190 -5.660 1.00 0.00 S ATOM 0 H CYS A 60 7.863 6.635 -5.995 1.00 0.00 H new ATOM 0 HA CYS A 60 6.420 7.604 -8.331 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.300 7.048 -7.778 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.913 6.046 -6.477 1.00 0.00 H new ATOM 871 N SER A 61 7.228 9.729 -7.449 1.00 0.00 N ATOM 872 CA SER A 61 7.726 11.024 -6.896 1.00 0.00 C ATOM 873 C SER A 61 6.755 12.183 -7.170 1.00 0.00 C ATOM 874 O SER A 61 6.967 13.287 -6.709 1.00 0.00 O ATOM 875 CB SER A 61 9.051 11.266 -7.616 1.00 0.00 C ATOM 876 OG SER A 61 8.822 11.318 -9.018 1.00 0.00 O ATOM 0 H SER A 61 7.235 9.658 -8.466 1.00 0.00 H new ATOM 0 HA SER A 61 7.830 10.975 -5.812 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.498 12.199 -7.274 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.757 10.469 -7.381 1.00 0.00 H new ATOM 0 HG SER A 61 9.671 11.475 -9.482 1.00 0.00 H new ATOM 882 N THR A 62 5.700 11.962 -7.907 1.00 0.00 N ATOM 883 CA THR A 62 4.755 13.089 -8.176 1.00 0.00 C ATOM 884 C THR A 62 3.858 13.324 -6.957 1.00 0.00 C ATOM 885 O THR A 62 3.943 12.624 -5.969 1.00 0.00 O ATOM 886 CB THR A 62 3.921 12.656 -9.387 1.00 0.00 C ATOM 887 OG1 THR A 62 4.529 11.536 -10.016 1.00 0.00 O ATOM 888 CG2 THR A 62 3.834 13.813 -10.383 1.00 0.00 C ATOM 0 H THR A 62 5.452 11.067 -8.329 1.00 0.00 H new ATOM 0 HA THR A 62 5.282 14.023 -8.373 1.00 0.00 H new ATOM 0 HB THR A 62 2.920 12.381 -9.055 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.991 11.262 -10.788 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.241 13.507 -11.245 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.362 14.671 -9.904 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.837 14.087 -10.711 1.00 0.00 H new ATOM 896 N ASP A 63 2.998 14.304 -7.014 1.00 0.00 N ATOM 897 CA ASP A 63 2.102 14.571 -5.853 1.00 0.00 C ATOM 898 C ASP A 63 1.091 13.432 -5.708 1.00 0.00 C ATOM 899 O ASP A 63 0.392 13.091 -6.641 1.00 0.00 O ATOM 900 CB ASP A 63 1.393 15.883 -6.189 1.00 0.00 C ATOM 901 CG ASP A 63 1.804 16.959 -5.182 1.00 0.00 C ATOM 902 OD1 ASP A 63 2.821 16.776 -4.532 1.00 0.00 O ATOM 903 OD2 ASP A 63 1.096 17.947 -5.077 1.00 0.00 O ATOM 0 H ASP A 63 2.877 14.929 -7.811 1.00 0.00 H new ATOM 0 HA ASP A 63 2.647 14.639 -4.912 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.650 16.199 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.313 15.741 -6.165 1.00 0.00 H new ATOM 908 N LYS A 64 1.013 12.831 -4.550 1.00 0.00 N ATOM 909 CA LYS A 64 0.052 11.706 -4.364 1.00 0.00 C ATOM 910 C LYS A 64 0.118 10.774 -5.576 1.00 0.00 C ATOM 911 O LYS A 64 -0.886 10.440 -6.174 1.00 0.00 O ATOM 912 CB LYS A 64 -1.324 12.367 -4.264 1.00 0.00 C ATOM 913 CG LYS A 64 -2.402 11.288 -4.150 1.00 0.00 C ATOM 914 CD LYS A 64 -3.526 11.580 -5.146 1.00 0.00 C ATOM 915 CE LYS A 64 -4.879 11.454 -4.441 1.00 0.00 C ATOM 916 NZ LYS A 64 -5.892 11.680 -5.510 1.00 0.00 N ATOM 0 H LYS A 64 1.570 13.069 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 64 0.272 11.107 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.361 13.025 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.506 12.987 -5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.971 10.307 -4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.799 11.262 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.410 12.583 -5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.474 10.884 -5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.997 10.470 -3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.978 12.189 -3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.847 11.609 -5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.759 12.627 -5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.778 10.962 -6.254 1.00 0.00 H new ATOM 930 N CYS A 65 1.299 10.357 -5.943 1.00 0.00 N ATOM 931 CA CYS A 65 1.436 9.447 -7.122 1.00 0.00 C ATOM 932 C CYS A 65 1.390 7.982 -6.678 1.00 0.00 C ATOM 933 O CYS A 65 1.845 7.098 -7.377 1.00 0.00 O ATOM 934 CB CYS A 65 2.774 9.785 -7.802 1.00 0.00 C ATOM 935 SG CYS A 65 4.099 9.973 -6.586 1.00 0.00 S ATOM 0 H CYS A 65 2.174 10.605 -5.481 1.00 0.00 H new ATOM 0 HA CYS A 65 0.613 9.588 -7.822 1.00 0.00 H new ATOM 0 HB2 CYS A 65 3.035 8.997 -8.508 1.00 0.00 H new ATOM 0 HB3 CYS A 65 2.671 10.706 -8.376 1.00 0.00 H new ATOM 940 N ASN A 66 0.823 7.714 -5.529 1.00 0.00 N ATOM 941 CA ASN A 66 0.728 6.305 -5.056 1.00 0.00 C ATOM 942 C ASN A 66 -0.723 5.762 -5.122 1.00 0.00 C ATOM 943 O ASN A 66 -1.050 4.854 -4.387 1.00 0.00 O ATOM 944 CB ASN A 66 1.200 6.354 -3.598 1.00 0.00 C ATOM 945 CG ASN A 66 2.568 5.681 -3.450 1.00 0.00 C ATOM 946 OD1 ASN A 66 2.907 5.202 -2.387 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.374 5.627 -4.471 1.00 0.00 N ATOM 0 H ASN A 66 0.423 8.411 -4.901 1.00 0.00 H new ATOM 0 HA ASN A 66 1.325 5.641 -5.681 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.261 7.390 -3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.472 5.855 -2.958 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.288 5.183 -4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.092 6.029 -5.365 1.00 0.00 H new ATOM 954 N PRO A 67 -1.559 6.309 -5.988 1.00 0.00 N ATOM 955 CA PRO A 67 -2.950 5.808 -6.086 1.00 0.00 C ATOM 956 C PRO A 67 -3.005 4.582 -7.002 1.00 0.00 C ATOM 957 O PRO A 67 -3.321 4.694 -8.169 1.00 0.00 O ATOM 958 CB PRO A 67 -3.704 6.963 -6.731 1.00 0.00 C ATOM 959 CG PRO A 67 -2.677 7.718 -7.516 1.00 0.00 C ATOM 960 CD PRO A 67 -1.321 7.414 -6.927 1.00 0.00 C ATOM 0 HA PRO A 67 -3.361 5.509 -5.122 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.503 6.599 -7.377 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.168 7.599 -5.977 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.710 7.427 -8.566 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.878 8.789 -7.476 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.608 7.129 -7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.907 8.284 -6.417 1.00 0.00 H new ATOM 968 N HIS A 68 -2.696 3.418 -6.497 1.00 0.00 N ATOM 969 CA HIS A 68 -2.736 2.209 -7.370 1.00 0.00 C ATOM 970 C HIS A 68 -3.990 2.235 -8.246 1.00 0.00 C ATOM 971 O HIS A 68 -4.962 2.888 -7.922 1.00 0.00 O ATOM 972 CB HIS A 68 -2.743 1.008 -6.424 1.00 0.00 C ATOM 973 CG HIS A 68 -3.877 1.110 -5.440 1.00 0.00 C ATOM 974 ND1 HIS A 68 -4.911 0.184 -5.403 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.143 2.006 -4.434 1.00 0.00 C ATOM 976 CE1 HIS A 68 -5.740 0.543 -4.409 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.320 1.647 -3.785 1.00 0.00 N ATOM 0 H HIS A 68 -2.421 3.252 -5.529 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.882 2.164 -8.046 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.836 0.087 -6.999 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.795 0.955 -5.889 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -5.021 -0.622 -6.018 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.531 2.860 -4.184 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.638 0.004 -4.146 1.00 0.00 H new ATOM 985 N PRO A 69 -3.908 1.543 -9.347 1.00 0.00 N ATOM 986 CA PRO A 69 -5.029 1.503 -10.307 1.00 0.00 C ATOM 987 C PRO A 69 -6.060 0.446 -9.910 1.00 0.00 C ATOM 988 O PRO A 69 -5.977 -0.696 -10.318 1.00 0.00 O ATOM 989 CB PRO A 69 -4.349 1.127 -11.619 1.00 0.00 C ATOM 990 CG PRO A 69 -3.095 0.397 -11.233 1.00 0.00 C ATOM 991 CD PRO A 69 -2.773 0.735 -9.795 1.00 0.00 C ATOM 0 HA PRO A 69 -5.577 2.444 -10.358 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.997 0.497 -12.229 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.119 2.014 -12.209 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.230 -0.678 -11.349 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -2.271 0.687 -11.885 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.663 -0.165 -9.190 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.837 1.288 -9.717 1.00 0.00 H new ATOM 999 N LYS A 70 -7.041 0.814 -9.132 1.00 0.00 N ATOM 1000 CA LYS A 70 -8.076 -0.182 -8.737 1.00 0.00 C ATOM 1001 C LYS A 70 -9.288 0.515 -8.116 1.00 0.00 C ATOM 1002 O LYS A 70 -9.915 -0.001 -7.212 1.00 0.00 O ATOM 1003 CB LYS A 70 -7.394 -1.089 -7.702 1.00 0.00 C ATOM 1004 CG LYS A 70 -7.364 -2.585 -8.111 1.00 0.00 C ATOM 1005 CD LYS A 70 -8.107 -2.877 -9.429 1.00 0.00 C ATOM 1006 CE LYS A 70 -9.615 -2.657 -9.238 1.00 0.00 C ATOM 1007 NZ LYS A 70 -10.046 -1.820 -10.395 1.00 0.00 N ATOM 0 H LYS A 70 -7.170 1.753 -8.756 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.441 -0.745 -9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.372 -0.743 -7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.913 -0.992 -6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.327 -2.906 -8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.808 -3.181 -7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.733 -2.226 -10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.917 -3.903 -9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.151 -3.606 -9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.822 -2.156 -8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.384 -0.899 -10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.241 -1.675 -11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.814 -2.302 -10.905 1.00 0.00 H new ATOM 1021 N GLN A 71 -9.628 1.675 -8.596 1.00 0.00 N ATOM 1022 CA GLN A 71 -10.803 2.392 -8.037 1.00 0.00 C ATOM 1023 C GLN A 71 -12.087 1.901 -8.711 1.00 0.00 C ATOM 1024 O GLN A 71 -12.931 2.683 -9.102 1.00 0.00 O ATOM 1025 CB GLN A 71 -10.549 3.860 -8.364 1.00 0.00 C ATOM 1026 CG GLN A 71 -10.297 4.627 -7.068 1.00 0.00 C ATOM 1027 CD GLN A 71 -8.974 5.385 -7.171 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -8.864 6.340 -7.913 1.00 0.00 O ATOM 1029 NE2 GLN A 71 -7.959 4.997 -6.450 1.00 0.00 N ATOM 0 H GLN A 71 -9.143 2.158 -9.352 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.926 2.227 -6.967 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.690 3.954 -9.029 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.406 4.281 -8.889 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.114 5.324 -6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.268 3.937 -6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.053 4.195 -5.827 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.071 5.496 -6.509 1.00 0.00 H new ATOM 1038 N ARG A 72 -12.241 0.610 -8.851 1.00 0.00 N ATOM 1039 CA ARG A 72 -13.471 0.070 -9.502 1.00 0.00 C ATOM 1040 C ARG A 72 -13.842 0.917 -10.724 1.00 0.00 C ATOM 1041 O ARG A 72 -14.701 1.773 -10.649 1.00 0.00 O ATOM 1042 CB ARG A 72 -14.561 0.166 -8.433 1.00 0.00 C ATOM 1043 CG ARG A 72 -15.372 -1.132 -8.412 1.00 0.00 C ATOM 1044 CD ARG A 72 -16.043 -1.338 -9.772 1.00 0.00 C ATOM 1045 NE ARG A 72 -17.302 -2.074 -9.472 1.00 0.00 N ATOM 1046 CZ ARG A 72 -18.457 -1.509 -9.697 1.00 0.00 C ATOM 1047 NH1 ARG A 72 -18.686 -0.923 -10.840 1.00 0.00 N ATOM 1048 NH2 ARG A 72 -19.384 -1.531 -8.778 1.00 0.00 N ATOM 0 H ARG A 72 -11.569 -0.093 -8.543 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.334 -0.952 -9.855 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.112 0.342 -7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.215 1.013 -8.641 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -14.721 -1.976 -8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.126 -1.090 -7.626 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.249 -0.385 -10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.403 -1.908 -10.446 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.262 -3.019 -9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -17.962 -0.906 -11.559 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.589 -0.482 -11.015 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.206 -1.990 -7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.287 -1.090 -8.953 1.00 0.00 H new ATOM 1062 N PRO A 73 -13.174 0.646 -11.812 1.00 0.00 N ATOM 1063 CA PRO A 73 -13.430 1.390 -13.070 1.00 0.00 C ATOM 1064 C PRO A 73 -14.766 0.962 -13.683 1.00 0.00 C ATOM 1065 O PRO A 73 -15.319 -0.063 -13.337 1.00 0.00 O ATOM 1066 CB PRO A 73 -12.264 0.984 -13.968 1.00 0.00 C ATOM 1067 CG PRO A 73 -11.819 -0.345 -13.447 1.00 0.00 C ATOM 1068 CD PRO A 73 -12.128 -0.368 -11.972 1.00 0.00 C ATOM 0 HA PRO A 73 -13.496 2.468 -12.925 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.574 0.915 -15.011 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.458 1.716 -13.923 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.337 -1.154 -13.962 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.752 -0.489 -13.620 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.473 -1.351 -11.652 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.247 -0.130 -11.376 1.00 0.00 H new ATOM 1076 N GLY A 74 -15.288 1.739 -14.592 1.00 0.00 N ATOM 1077 CA GLY A 74 -16.587 1.376 -15.226 1.00 0.00 C ATOM 1078 C GLY A 74 -17.725 1.620 -14.234 1.00 0.00 C ATOM 1079 O GLY A 74 -18.799 1.994 -14.675 1.00 0.00 O ATOM 1080 OXT GLY A 74 -17.503 1.428 -13.050 1.00 0.00 O ATOM 0 H GLY A 74 -14.871 2.609 -14.923 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.742 1.969 -16.127 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.575 0.330 -15.532 1.00 0.00 H new TER 1084 GLY A 74 ATOM 1085 N MET B 1 -13.560 -4.359 1.138 1.00 0.00 N ATOM 1086 CA MET B 1 -12.944 -3.817 2.384 1.00 0.00 C ATOM 1087 C MET B 1 -11.417 -3.811 2.265 1.00 0.00 C ATOM 1088 O MET B 1 -10.716 -4.203 3.176 1.00 0.00 O ATOM 1089 CB MET B 1 -13.387 -4.773 3.492 1.00 0.00 C ATOM 1090 CG MET B 1 -14.888 -5.043 3.367 1.00 0.00 C ATOM 1091 SD MET B 1 -15.560 -5.473 4.992 1.00 0.00 S ATOM 1092 CE MET B 1 -17.233 -5.894 4.445 1.00 0.00 C ATOM 0 H1 MET B 1 -14.562 -4.084 1.098 1.00 0.00 H new ATOM 0 H2 MET B 1 -13.062 -3.975 0.309 1.00 0.00 H new ATOM 0 H3 MET B 1 -13.486 -5.396 1.137 1.00 0.00 H new ATOM 0 HA MET B 1 -13.251 -2.790 2.580 1.00 0.00 H new ATOM 0 HB2 MET B 1 -12.832 -5.709 3.423 1.00 0.00 H new ATOM 0 HB3 MET B 1 -13.165 -4.342 4.468 1.00 0.00 H new ATOM 0 HG2 MET B 1 -15.395 -4.162 2.973 1.00 0.00 H new ATOM 0 HG3 MET B 1 -15.065 -5.855 2.662 1.00 0.00 H new ATOM 0 HE1 MET B 1 -17.832 -6.194 5.305 1.00 0.00 H new ATOM 0 HE2 MET B 1 -17.690 -5.026 3.970 1.00 0.00 H new ATOM 0 HE3 MET B 1 -17.186 -6.716 3.731 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.894 -3.370 1.153 1.00 0.00 N ATOM 1105 CA ARG B 2 -9.412 -3.346 0.991 1.00 0.00 C ATOM 1106 C ARG B 2 -9.011 -2.529 -0.228 1.00 0.00 C ATOM 1107 O ARG B 2 -9.748 -2.417 -1.187 1.00 0.00 O ATOM 1108 CB ARG B 2 -9.003 -4.808 0.758 1.00 0.00 C ATOM 1109 CG ARG B 2 -8.289 -5.349 1.998 1.00 0.00 C ATOM 1110 CD ARG B 2 -7.043 -4.507 2.281 1.00 0.00 C ATOM 1111 NE ARG B 2 -7.280 -3.910 3.624 1.00 0.00 N ATOM 1112 CZ ARG B 2 -7.317 -4.676 4.680 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -6.485 -5.675 4.790 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -8.185 -4.441 5.626 1.00 0.00 N ATOM 0 H ARG B 2 -11.426 -3.027 0.353 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.933 -2.901 1.863 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -9.884 -5.412 0.542 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -8.348 -4.878 -0.110 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.960 -5.324 2.857 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.009 -6.391 1.843 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.142 -5.120 2.275 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.908 -3.735 1.524 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.413 -2.903 3.719 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.806 -5.857 4.051 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.513 -6.274 5.615 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.834 -3.659 5.540 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.214 -5.039 6.451 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.812 -2.028 -0.230 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.321 -1.295 -1.426 1.00 0.00 C ATOM 1130 C TYR B 3 -6.505 -2.315 -2.189 1.00 0.00 C ATOM 1131 O TYR B 3 -5.373 -2.092 -2.570 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.421 -0.140 -0.954 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.476 0.014 0.547 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -7.558 0.666 1.147 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -5.440 -0.498 1.334 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -7.603 0.808 2.538 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -5.483 -0.357 2.725 1.00 0.00 C ATOM 1138 CZ TYR B 3 -6.565 0.297 3.328 1.00 0.00 C ATOM 1139 OH TYR B 3 -6.609 0.436 4.701 1.00 0.00 O ATOM 0 H TYR B 3 -7.150 -2.094 0.543 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.120 -0.876 -2.037 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.393 -0.325 -1.266 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.736 0.789 -1.430 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -8.358 1.059 0.537 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -4.606 -1.002 0.868 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -8.438 1.311 3.003 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -4.683 -0.752 3.333 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.812 0.025 5.097 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.089 -3.462 -2.366 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.394 -4.569 -3.048 1.00 0.00 C ATOM 1151 C TYR B 4 -6.156 -4.221 -4.504 1.00 0.00 C ATOM 1152 O TYR B 4 -6.250 -3.085 -4.922 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.384 -5.736 -2.966 1.00 0.00 C ATOM 1154 CG TYR B 4 -6.780 -6.911 -2.236 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -5.536 -7.419 -2.624 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -7.481 -7.508 -1.180 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -4.990 -8.520 -1.954 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -6.936 -8.610 -0.513 1.00 0.00 C ATOM 1159 CZ TYR B 4 -5.690 -9.115 -0.899 1.00 0.00 C ATOM 1160 OH TYR B 4 -5.154 -10.203 -0.243 1.00 0.00 O ATOM 0 H TYR B 4 -8.037 -3.678 -2.059 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.425 -4.790 -2.600 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.290 -5.413 -2.454 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -7.677 -6.040 -3.971 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -4.997 -6.962 -3.440 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -8.442 -7.117 -0.881 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -4.028 -8.910 -2.252 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -7.477 -9.071 0.300 1.00 0.00 H new ATOM 0 HH TYR B 4 -4.420 -10.577 -0.774 1.00 0.00 H new ATOM 1170 N GLU B 5 -5.862 -5.212 -5.268 1.00 0.00 N ATOM 1171 CA GLU B 5 -5.621 -4.995 -6.722 1.00 0.00 C ATOM 1172 C GLU B 5 -6.907 -5.284 -7.501 1.00 0.00 C ATOM 1173 O GLU B 5 -6.893 -5.490 -8.698 1.00 0.00 O ATOM 1174 CB GLU B 5 -4.514 -5.982 -7.093 1.00 0.00 C ATOM 1175 CG GLU B 5 -4.292 -5.972 -8.608 1.00 0.00 C ATOM 1176 CD GLU B 5 -4.742 -7.310 -9.199 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -5.920 -7.445 -9.485 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -3.899 -8.178 -9.356 1.00 0.00 O ATOM 0 H GLU B 5 -5.774 -6.179 -4.955 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.331 -3.971 -6.957 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -3.590 -5.715 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.784 -6.985 -6.763 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -4.852 -5.155 -9.063 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -3.239 -5.800 -8.831 1.00 0.00 H new ATOM 1185 N SER B 6 -8.025 -5.289 -6.824 1.00 0.00 N ATOM 1186 CA SER B 6 -9.320 -5.553 -7.515 1.00 0.00 C ATOM 1187 C SER B 6 -10.357 -4.494 -7.126 1.00 0.00 C ATOM 1188 O SER B 6 -11.478 -4.515 -7.595 1.00 0.00 O ATOM 1189 CB SER B 6 -9.755 -6.933 -7.024 1.00 0.00 C ATOM 1190 OG SER B 6 -10.672 -6.779 -5.949 1.00 0.00 O ATOM 0 H SER B 6 -8.097 -5.121 -5.820 1.00 0.00 H new ATOM 0 HA SER B 6 -9.223 -5.516 -8.600 1.00 0.00 H new ATOM 0 HB2 SER B 6 -10.219 -7.492 -7.837 1.00 0.00 H new ATOM 0 HB3 SER B 6 -8.887 -7.506 -6.698 1.00 0.00 H new ATOM 0 HG SER B 6 -10.955 -7.662 -5.631 1.00 0.00 H new ATOM 1196 N SER B 7 -9.985 -3.564 -6.278 1.00 0.00 N ATOM 1197 CA SER B 7 -10.935 -2.487 -5.846 1.00 0.00 C ATOM 1198 C SER B 7 -10.429 -1.839 -4.553 1.00 0.00 C ATOM 1199 O SER B 7 -9.686 -2.436 -3.800 1.00 0.00 O ATOM 1200 CB SER B 7 -12.276 -3.180 -5.593 1.00 0.00 C ATOM 1201 OG SER B 7 -13.090 -3.067 -6.753 1.00 0.00 O ATOM 0 H SER B 7 -9.055 -3.504 -5.863 1.00 0.00 H new ATOM 0 HA SER B 7 -11.027 -1.705 -6.600 1.00 0.00 H new ATOM 0 HB2 SER B 7 -12.115 -4.230 -5.348 1.00 0.00 H new ATOM 0 HB3 SER B 7 -12.777 -2.727 -4.738 1.00 0.00 H new ATOM 0 HG SER B 7 -12.836 -3.759 -7.399 1.00 0.00 H new ATOM 1207 N LEU B 8 -10.827 -0.624 -4.286 1.00 0.00 N ATOM 1208 CA LEU B 8 -10.365 0.050 -3.037 1.00 0.00 C ATOM 1209 C LEU B 8 -11.503 0.862 -2.412 1.00 0.00 C ATOM 1210 O LEU B 8 -11.280 1.880 -1.787 1.00 0.00 O ATOM 1211 CB LEU B 8 -9.226 0.969 -3.476 1.00 0.00 C ATOM 1212 CG LEU B 8 -9.710 1.899 -4.587 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -9.959 3.295 -4.012 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -8.641 1.980 -5.679 1.00 0.00 C ATOM 0 H LEU B 8 -11.449 -0.071 -4.875 1.00 0.00 H new ATOM 0 HA LEU B 8 -10.041 -0.667 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -8.872 1.555 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -8.383 0.375 -3.828 1.00 0.00 H new ATOM 0 HG LEU B 8 -10.637 1.512 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -10.304 3.959 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.717 3.237 -3.231 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.033 3.685 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -8.983 2.643 -6.474 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -7.716 2.369 -5.254 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -8.462 0.985 -6.088 1.00 0.00 H new ATOM 1226 N LYS B 9 -12.720 0.421 -2.573 1.00 0.00 N ATOM 1227 CA LYS B 9 -13.867 1.171 -1.985 1.00 0.00 C ATOM 1228 C LYS B 9 -14.735 0.233 -1.143 1.00 0.00 C ATOM 1229 O LYS B 9 -15.922 0.102 -1.370 1.00 0.00 O ATOM 1230 CB LYS B 9 -14.659 1.695 -3.184 1.00 0.00 C ATOM 1231 CG LYS B 9 -13.722 2.452 -4.128 1.00 0.00 C ATOM 1232 CD LYS B 9 -14.124 2.172 -5.577 1.00 0.00 C ATOM 1233 CE LYS B 9 -14.155 3.486 -6.360 1.00 0.00 C ATOM 1234 NZ LYS B 9 -15.507 4.057 -6.100 1.00 0.00 N ATOM 0 H LYS B 9 -12.970 -0.425 -3.085 1.00 0.00 H new ATOM 0 HA LYS B 9 -13.538 1.978 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -15.131 0.866 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -15.459 2.353 -2.845 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -13.771 3.522 -3.926 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -12.691 2.143 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -13.417 1.480 -6.035 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -15.103 1.694 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -13.369 4.163 -6.026 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -13.997 3.315 -7.425 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -15.605 4.961 -6.604 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -16.234 3.393 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -15.626 4.216 -5.079 1.00 0.00 H new ATOM 1248 N SER B 10 -14.154 -0.424 -0.177 1.00 0.00 N ATOM 1249 CA SER B 10 -14.953 -1.355 0.671 1.00 0.00 C ATOM 1250 C SER B 10 -15.886 -2.188 -0.211 1.00 0.00 C ATOM 1251 O SER B 10 -17.028 -2.429 0.127 1.00 0.00 O ATOM 1252 CB SER B 10 -15.759 -0.450 1.602 1.00 0.00 C ATOM 1253 OG SER B 10 -15.146 0.831 1.658 1.00 0.00 O ATOM 0 H SER B 10 -13.165 -0.357 0.062 1.00 0.00 H new ATOM 0 HA SER B 10 -14.328 -2.053 1.228 1.00 0.00 H new ATOM 0 HB2 SER B 10 -16.784 -0.360 1.243 1.00 0.00 H new ATOM 0 HB3 SER B 10 -15.808 -0.886 2.600 1.00 0.00 H new ATOM 0 HG SER B 10 -15.661 1.415 2.253 1.00 0.00 H new ATOM 1259 N TYR B 11 -15.406 -2.624 -1.344 1.00 0.00 N ATOM 1260 CA TYR B 11 -16.260 -3.436 -2.257 1.00 0.00 C ATOM 1261 C TYR B 11 -16.524 -4.820 -1.654 1.00 0.00 C ATOM 1262 O TYR B 11 -15.601 -5.558 -1.370 1.00 0.00 O ATOM 1263 CB TYR B 11 -15.448 -3.559 -3.547 1.00 0.00 C ATOM 1264 CG TYR B 11 -14.268 -4.476 -3.319 1.00 0.00 C ATOM 1265 CD1 TYR B 11 -13.067 -3.963 -2.812 1.00 0.00 C ATOM 1266 CD2 TYR B 11 -14.376 -5.840 -3.616 1.00 0.00 C ATOM 1267 CE1 TYR B 11 -11.975 -4.815 -2.603 1.00 0.00 C ATOM 1268 CE2 TYR B 11 -13.284 -6.691 -3.406 1.00 0.00 C ATOM 1269 CZ TYR B 11 -12.084 -6.178 -2.900 1.00 0.00 C ATOM 1270 OH TYR B 11 -11.007 -7.017 -2.695 1.00 0.00 O ATOM 0 H TYR B 11 -14.457 -2.452 -1.677 1.00 0.00 H new ATOM 0 HA TYR B 11 -17.234 -2.977 -2.427 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -16.076 -3.950 -4.348 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -15.101 -2.576 -3.865 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -12.983 -2.911 -2.582 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -15.302 -6.236 -4.007 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -11.049 -4.420 -2.213 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -13.368 -7.743 -3.634 1.00 0.00 H new ATOM 0 HH TYR B 11 -11.330 -7.917 -2.481 1.00 0.00 H new ATOM 1280 N PRO B 12 -17.783 -5.127 -1.480 1.00 0.00 N ATOM 1281 CA PRO B 12 -18.174 -6.438 -0.908 1.00 0.00 C ATOM 1282 C PRO B 12 -17.984 -7.551 -1.944 1.00 0.00 C ATOM 1283 O PRO B 12 -18.895 -7.900 -2.668 1.00 0.00 O ATOM 1284 CB PRO B 12 -19.651 -6.256 -0.571 1.00 0.00 C ATOM 1285 CG PRO B 12 -20.130 -5.175 -1.488 1.00 0.00 C ATOM 1286 CD PRO B 12 -18.947 -4.292 -1.795 1.00 0.00 C ATOM 0 HA PRO B 12 -17.577 -6.723 -0.042 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -20.208 -7.180 -0.727 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -19.785 -5.975 0.474 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -20.540 -5.601 -2.404 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -20.928 -4.599 -1.020 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -18.943 -3.981 -2.840 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -18.961 -3.384 -1.192 1.00 0.00 H new ATOM 1294 N ASP B 13 -16.807 -8.110 -2.020 1.00 0.00 N ATOM 1295 CA ASP B 13 -16.560 -9.199 -3.009 1.00 0.00 C ATOM 1296 C ASP B 13 -16.904 -8.720 -4.421 1.00 0.00 C ATOM 1297 O ASP B 13 -16.074 -8.056 -5.019 1.00 0.00 O ATOM 1298 CB ASP B 13 -17.491 -10.337 -2.586 1.00 0.00 C ATOM 1299 CG ASP B 13 -17.007 -10.926 -1.260 1.00 0.00 C ATOM 1300 OD1 ASP B 13 -15.851 -10.722 -0.930 1.00 0.00 O ATOM 1301 OD2 ASP B 13 -17.802 -11.573 -0.597 1.00 0.00 O ATOM 1302 OXT ASP B 13 -17.992 -9.026 -4.881 1.00 0.00 O ATOM 0 H ASP B 13 -16.006 -7.860 -1.440 1.00 0.00 H new ATOM 0 HA ASP B 13 -15.516 -9.512 -3.027 1.00 0.00 H new ATOM 0 HB2 ASP B 13 -18.511 -9.967 -2.481 1.00 0.00 H new ATOM 0 HB3 ASP B 13 -17.510 -11.110 -3.354 1.00 0.00 H new TER 1307 ASP B 13