USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 567 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 70 LYS NZ :NH3+ -161:sc= 0.00271 (180deg=0) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -2.67 F(o=-7.3!,f=-2.7) USER MOD Set 2.1: A 5 THR OG1 : rot -36:sc= 1.29! USER MOD Set 2.2: A 8 THR OG1 : rot 49:sc= -2.57! USER MOD Set 2.3: A 9 SER OG : rot 180:sc= 0.115 USER MOD Single : A 1 ILE N :NH3+ 156:sc= -0.98 (180deg=-2.05!) USER MOD Single : A 4 HIS : no HD1:sc= -14.2! C(o=-14!,f=-17!) USER MOD Single : A 6 THR OG1 : rot -78:sc= -3.09! USER MOD Single : A 12 SER OG : rot 58:sc= 0.0432 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0808 USER MOD Single : A 21 ASN :FLIP amide:sc= -5.79! C(o=-8!,f=-5.8!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00422) USER MOD Single : A 27 MET CE :methyl -163:sc= -0.861 (180deg=-2.15) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 35 SER OG : rot 180:sc= 0 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 71:sc= -0.217 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0704 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -7.06! C(o=-7.1!,f=-8.2!) USER MOD Single : A 68 HIS : no HE2:sc= -13.4! C(o=-13!,f=-15!) USER MOD Single : B 3 TYR OH : rot 30:sc= -2.47! USER MOD Single : B 4 TYR OH : rot 180:sc= -4.6! USER MOD Single : B 6 SER OG : rot 180:sc= -0.0185 USER MOD Single : B 7 SER OG : rot 69:sc= 0.91 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 7.750 15.515 -1.511 1.00 0.00 N ATOM 2 CA ILE A 1 6.394 15.310 -2.098 1.00 0.00 C ATOM 3 C ILE A 1 5.494 14.565 -1.107 1.00 0.00 C ATOM 4 O ILE A 1 5.841 14.380 0.043 1.00 0.00 O ATOM 5 CB ILE A 1 6.627 14.465 -3.353 1.00 0.00 C ATOM 6 CG1 ILE A 1 7.605 13.332 -3.032 1.00 0.00 C ATOM 7 CG2 ILE A 1 7.212 15.343 -4.462 1.00 0.00 C ATOM 8 CD1 ILE A 1 7.713 12.395 -4.236 1.00 0.00 C ATOM 0 H1 ILE A 1 8.445 15.633 -2.276 1.00 0.00 H new ATOM 0 H2 ILE A 1 7.745 16.366 -0.913 1.00 0.00 H new ATOM 0 H3 ILE A 1 8.007 14.689 -0.934 1.00 0.00 H new ATOM 0 HA ILE A 1 5.898 16.253 -2.329 1.00 0.00 H new ATOM 0 HB ILE A 1 5.678 14.044 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 1 8.585 13.742 -2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 1 7.263 12.779 -2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.377 14.740 -5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.516 16.150 -4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 1 8.160 15.766 -4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 1 8.409 11.588 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 1 6.732 11.975 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.075 12.953 -5.100 1.00 0.00 H new ATOM 22 N VAL A 2 4.341 14.136 -1.544 1.00 0.00 N ATOM 23 CA VAL A 2 3.418 13.403 -0.627 1.00 0.00 C ATOM 24 C VAL A 2 3.089 12.027 -1.202 1.00 0.00 C ATOM 25 O VAL A 2 3.238 11.785 -2.383 1.00 0.00 O ATOM 26 CB VAL A 2 2.159 14.261 -0.567 1.00 0.00 C ATOM 27 CG1 VAL A 2 1.273 13.800 0.588 1.00 0.00 C ATOM 28 CG2 VAL A 2 2.551 15.723 -0.357 1.00 0.00 C ATOM 0 H VAL A 2 3.997 14.261 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 2 3.856 13.245 0.358 1.00 0.00 H new ATOM 0 HB VAL A 2 1.609 14.160 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.375 14.417 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.992 12.758 0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.819 13.896 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.652 16.338 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.103 15.821 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.178 16.054 -1.185 1.00 0.00 H new ATOM 38 N CYS A 3 2.654 11.120 -0.376 1.00 0.00 N ATOM 39 CA CYS A 3 2.332 9.758 -0.876 1.00 0.00 C ATOM 40 C CYS A 3 1.062 9.229 -0.209 1.00 0.00 C ATOM 41 O CYS A 3 0.680 9.681 0.850 1.00 0.00 O ATOM 42 CB CYS A 3 3.530 8.913 -0.472 1.00 0.00 C ATOM 43 SG CYS A 3 5.067 9.818 -0.801 1.00 0.00 S ATOM 0 H CYS A 3 2.508 11.263 0.623 1.00 0.00 H new ATOM 0 HA CYS A 3 2.152 9.743 -1.951 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.467 8.660 0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.526 7.974 -1.025 1.00 0.00 H new ATOM 48 N HIS A 4 0.420 8.255 -0.805 1.00 0.00 N ATOM 49 CA HIS A 4 -0.818 7.695 -0.183 1.00 0.00 C ATOM 50 C HIS A 4 -0.458 6.541 0.731 1.00 0.00 C ATOM 51 O HIS A 4 0.503 5.836 0.500 1.00 0.00 O ATOM 52 CB HIS A 4 -1.677 7.181 -1.319 1.00 0.00 C ATOM 53 CG HIS A 4 -1.746 8.190 -2.434 1.00 0.00 C ATOM 54 ND1 HIS A 4 -2.102 9.508 -2.212 1.00 0.00 N ATOM 55 CD2 HIS A 4 -1.527 8.085 -3.784 1.00 0.00 C ATOM 56 CE1 HIS A 4 -2.084 10.141 -3.399 1.00 0.00 C ATOM 57 NE2 HIS A 4 -1.739 9.319 -4.392 1.00 0.00 N ATOM 0 H HIS A 4 0.697 7.827 -1.688 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.338 8.452 0.404 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.268 6.243 -1.695 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.681 6.966 -0.954 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.234 7.181 -4.298 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.320 11.187 -3.532 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.650 9.546 -5.382 1.00 0.00 H new ATOM 65 N THR A 5 -1.214 6.323 1.765 1.00 0.00 N ATOM 66 CA THR A 5 -0.878 5.195 2.656 1.00 0.00 C ATOM 67 C THR A 5 -2.047 4.241 2.796 1.00 0.00 C ATOM 68 O THR A 5 -3.054 4.526 3.414 1.00 0.00 O ATOM 69 CB THR A 5 -0.525 5.781 4.014 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.645 5.676 4.875 1.00 0.00 O ATOM 71 CG2 THR A 5 -0.086 7.245 3.895 1.00 0.00 C ATOM 0 H THR A 5 -2.035 6.869 2.026 1.00 0.00 H new ATOM 0 HA THR A 5 -0.044 4.629 2.241 1.00 0.00 H new ATOM 0 HB THR A 5 0.312 5.218 4.427 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.468 5.809 4.359 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.159 7.633 4.884 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.792 7.311 3.252 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.896 7.834 3.465 1.00 0.00 H new ATOM 79 N THR A 6 -1.880 3.093 2.255 1.00 0.00 N ATOM 80 CA THR A 6 -2.918 2.042 2.369 1.00 0.00 C ATOM 81 C THR A 6 -2.582 1.184 3.588 1.00 0.00 C ATOM 82 O THR A 6 -3.394 0.436 4.089 1.00 0.00 O ATOM 83 CB THR A 6 -2.793 1.213 1.088 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.541 1.482 0.479 1.00 0.00 O ATOM 85 CG2 THR A 6 -3.916 1.573 0.118 1.00 0.00 C ATOM 0 H THR A 6 -1.053 2.821 1.724 1.00 0.00 H new ATOM 0 HA THR A 6 -3.927 2.438 2.486 1.00 0.00 H new ATOM 0 HB THR A 6 -2.865 0.154 1.338 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.585 2.339 0.006 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.818 0.978 -0.790 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.879 1.367 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.854 2.632 -0.134 1.00 0.00 H new ATOM 93 N ALA A 7 -1.357 1.270 4.039 1.00 0.00 N ATOM 94 CA ALA A 7 -0.917 0.443 5.193 1.00 0.00 C ATOM 95 C ALA A 7 -1.079 1.167 6.536 1.00 0.00 C ATOM 96 O ALA A 7 -1.238 0.538 7.564 1.00 0.00 O ATOM 97 CB ALA A 7 0.552 0.146 4.898 1.00 0.00 C ATOM 0 H ALA A 7 -0.640 1.884 3.652 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.522 -0.458 5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.968 -0.464 5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.632 -0.392 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.106 1.082 4.830 1.00 0.00 H new ATOM 103 N THR A 8 -1.039 2.469 6.554 1.00 0.00 N ATOM 104 CA THR A 8 -1.190 3.186 7.855 1.00 0.00 C ATOM 105 C THR A 8 -2.634 3.664 8.012 1.00 0.00 C ATOM 106 O THR A 8 -3.492 2.929 8.459 1.00 0.00 O ATOM 107 CB THR A 8 -0.225 4.372 7.778 1.00 0.00 C ATOM 108 OG1 THR A 8 -0.142 4.827 6.436 1.00 0.00 O ATOM 109 CG2 THR A 8 1.161 3.937 8.256 1.00 0.00 C ATOM 0 H THR A 8 -0.910 3.064 5.736 1.00 0.00 H new ATOM 0 HA THR A 8 -0.967 2.551 8.712 1.00 0.00 H new ATOM 0 HB THR A 8 -0.590 5.178 8.414 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.045 4.943 6.073 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.847 4.782 8.201 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.098 3.588 9.287 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.528 3.130 7.622 1.00 0.00 H new ATOM 117 N SER A 9 -2.920 4.875 7.629 1.00 0.00 N ATOM 118 CA SER A 9 -4.319 5.367 7.740 1.00 0.00 C ATOM 119 C SER A 9 -5.173 4.602 6.719 1.00 0.00 C ATOM 120 O SER A 9 -4.770 3.544 6.278 1.00 0.00 O ATOM 121 CB SER A 9 -4.225 6.855 7.409 1.00 0.00 C ATOM 122 OG SER A 9 -2.949 7.344 7.802 1.00 0.00 O ATOM 0 H SER A 9 -2.250 5.542 7.246 1.00 0.00 H new ATOM 0 HA SER A 9 -4.775 5.218 8.719 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.374 7.012 6.341 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.012 7.405 7.925 1.00 0.00 H new ATOM 0 HG SER A 9 -2.885 8.298 7.589 1.00 0.00 H new ATOM 128 N PRO A 10 -6.315 5.130 6.357 1.00 0.00 N ATOM 129 CA PRO A 10 -7.159 4.420 5.371 1.00 0.00 C ATOM 130 C PRO A 10 -6.524 4.526 3.991 1.00 0.00 C ATOM 131 O PRO A 10 -6.090 3.553 3.408 1.00 0.00 O ATOM 132 CB PRO A 10 -8.493 5.156 5.434 1.00 0.00 C ATOM 133 CG PRO A 10 -8.174 6.518 5.961 1.00 0.00 C ATOM 134 CD PRO A 10 -6.922 6.397 6.796 1.00 0.00 C ATOM 0 HA PRO A 10 -7.275 3.356 5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.955 5.215 4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.196 4.638 6.086 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.023 7.221 5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.000 6.901 6.561 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.250 7.239 6.630 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.154 6.379 7.861 1.00 0.00 H new ATOM 142 N ILE A 11 -6.458 5.711 3.483 1.00 0.00 N ATOM 143 CA ILE A 11 -5.849 5.937 2.163 1.00 0.00 C ATOM 144 C ILE A 11 -5.937 7.415 1.824 1.00 0.00 C ATOM 145 O ILE A 11 -6.997 7.967 1.606 1.00 0.00 O ATOM 146 CB ILE A 11 -6.644 5.052 1.214 1.00 0.00 C ATOM 147 CG1 ILE A 11 -5.656 4.047 0.610 1.00 0.00 C ATOM 148 CG2 ILE A 11 -7.327 5.882 0.109 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.045 3.687 -0.826 1.00 0.00 C ATOM 0 H ILE A 11 -6.810 6.552 3.940 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.790 5.684 2.109 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.442 4.540 1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.651 4.468 0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.632 3.144 1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.886 5.219 -0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.009 6.601 0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.570 6.414 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.327 2.973 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.041 3.244 -0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.045 4.588 -1.440 1.00 0.00 H new ATOM 161 N SER A 12 -4.819 8.047 1.795 1.00 0.00 N ATOM 162 CA SER A 12 -4.779 9.494 1.489 1.00 0.00 C ATOM 163 C SER A 12 -3.333 9.906 1.301 1.00 0.00 C ATOM 164 O SER A 12 -2.434 9.288 1.845 1.00 0.00 O ATOM 165 CB SER A 12 -5.384 10.180 2.699 1.00 0.00 C ATOM 166 OG SER A 12 -6.568 10.863 2.310 1.00 0.00 O ATOM 0 H SER A 12 -3.910 7.620 1.973 1.00 0.00 H new ATOM 0 HA SER A 12 -5.323 9.756 0.582 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.612 9.446 3.472 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.670 10.883 3.128 1.00 0.00 H new ATOM 0 HG SER A 12 -7.195 10.227 1.906 1.00 0.00 H new ATOM 172 N ALA A 13 -3.088 10.924 0.536 1.00 0.00 N ATOM 173 CA ALA A 13 -1.684 11.340 0.320 1.00 0.00 C ATOM 174 C ALA A 13 -1.199 12.237 1.441 1.00 0.00 C ATOM 175 O ALA A 13 -1.424 13.432 1.438 1.00 0.00 O ATOM 176 CB ALA A 13 -1.681 12.110 -0.981 1.00 0.00 C ATOM 0 H ALA A 13 -3.793 11.482 0.054 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.023 10.474 0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.668 12.448 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.031 11.465 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.341 12.973 -0.894 1.00 0.00 H new ATOM 182 N VAL A 14 -0.509 11.686 2.384 1.00 0.00 N ATOM 183 CA VAL A 14 0.016 12.531 3.475 1.00 0.00 C ATOM 184 C VAL A 14 1.519 12.666 3.307 1.00 0.00 C ATOM 185 O VAL A 14 2.204 11.745 2.898 1.00 0.00 O ATOM 186 CB VAL A 14 -0.322 11.821 4.793 1.00 0.00 C ATOM 187 CG1 VAL A 14 -1.680 11.140 4.675 1.00 0.00 C ATOM 188 CG2 VAL A 14 0.755 10.781 5.121 1.00 0.00 C ATOM 0 H VAL A 14 -0.286 10.693 2.448 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.421 13.530 3.465 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.357 12.558 5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.917 10.637 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.444 11.887 4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.651 10.408 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.506 10.283 6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.805 10.044 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.721 11.276 5.219 1.00 0.00 H new ATOM 198 N THR A 15 2.028 13.802 3.618 1.00 0.00 N ATOM 199 CA THR A 15 3.491 14.006 3.497 1.00 0.00 C ATOM 200 C THR A 15 4.216 12.883 4.242 1.00 0.00 C ATOM 201 O THR A 15 3.652 12.239 5.105 1.00 0.00 O ATOM 202 CB THR A 15 3.757 15.347 4.164 1.00 0.00 C ATOM 203 OG1 THR A 15 2.777 16.287 3.744 1.00 0.00 O ATOM 204 CG2 THR A 15 5.147 15.839 3.768 1.00 0.00 C ATOM 0 H THR A 15 1.500 14.608 3.953 1.00 0.00 H new ATOM 0 HA THR A 15 3.838 13.996 2.464 1.00 0.00 H new ATOM 0 HB THR A 15 3.707 15.236 5.247 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.947 17.151 4.175 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.342 16.800 4.244 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.895 15.115 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.198 15.953 2.685 1.00 0.00 H new ATOM 212 N CYS A 16 5.450 12.628 3.915 1.00 0.00 N ATOM 213 CA CYS A 16 6.184 11.534 4.604 1.00 0.00 C ATOM 214 C CYS A 16 7.228 12.098 5.573 1.00 0.00 C ATOM 215 O CYS A 16 7.602 13.250 5.487 1.00 0.00 O ATOM 216 CB CYS A 16 6.854 10.772 3.469 1.00 0.00 C ATOM 217 SG CYS A 16 5.602 10.336 2.239 1.00 0.00 S ATOM 0 H CYS A 16 5.981 13.128 3.202 1.00 0.00 H new ATOM 0 HA CYS A 16 5.529 10.904 5.206 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.634 11.382 3.014 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.336 9.872 3.852 1.00 0.00 H new ATOM 222 N PRO A 17 7.660 11.249 6.467 1.00 0.00 N ATOM 223 CA PRO A 17 8.675 11.645 7.476 1.00 0.00 C ATOM 224 C PRO A 17 10.046 11.817 6.818 1.00 0.00 C ATOM 225 O PRO A 17 10.207 11.555 5.643 1.00 0.00 O ATOM 226 CB PRO A 17 8.682 10.471 8.454 1.00 0.00 C ATOM 227 CG PRO A 17 8.186 9.305 7.662 1.00 0.00 C ATOM 228 CD PRO A 17 7.246 9.850 6.619 1.00 0.00 C ATOM 0 HA PRO A 17 8.451 12.596 7.960 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.684 10.287 8.842 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.039 10.668 9.312 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.016 8.775 7.194 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.674 8.590 8.307 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.332 9.304 5.680 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.207 9.773 6.939 1.00 0.00 H new ATOM 236 N PRO A 18 10.994 12.252 7.605 1.00 0.00 N ATOM 237 CA PRO A 18 12.371 12.460 7.094 1.00 0.00 C ATOM 238 C PRO A 18 13.041 11.114 6.805 1.00 0.00 C ATOM 239 O PRO A 18 13.253 10.309 7.690 1.00 0.00 O ATOM 240 CB PRO A 18 13.071 13.190 8.237 1.00 0.00 C ATOM 241 CG PRO A 18 12.302 12.814 9.462 1.00 0.00 C ATOM 242 CD PRO A 18 10.877 12.590 9.029 1.00 0.00 C ATOM 0 HA PRO A 18 12.404 13.019 6.159 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.115 12.888 8.318 1.00 0.00 H new ATOM 0 HB3 PRO A 18 13.062 14.269 8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.714 11.913 9.916 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.359 13.603 10.212 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.409 11.784 9.594 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.268 13.481 9.180 1.00 0.00 H new ATOM 250 N GLY A 19 13.373 10.866 5.568 1.00 0.00 N ATOM 251 CA GLY A 19 14.027 9.575 5.211 1.00 0.00 C ATOM 252 C GLY A 19 13.605 9.174 3.805 1.00 0.00 C ATOM 253 O GLY A 19 14.426 8.982 2.933 1.00 0.00 O ATOM 0 H GLY A 19 13.219 11.503 4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.111 9.676 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.744 8.800 5.924 1.00 0.00 H new ATOM 257 N GLU A 20 12.330 9.050 3.571 1.00 0.00 N ATOM 258 CA GLU A 20 11.874 8.670 2.220 1.00 0.00 C ATOM 259 C GLU A 20 12.172 9.816 1.252 1.00 0.00 C ATOM 260 O GLU A 20 11.972 10.973 1.562 1.00 0.00 O ATOM 261 CB GLU A 20 10.360 8.457 2.362 1.00 0.00 C ATOM 262 CG GLU A 20 9.649 9.005 1.122 1.00 0.00 C ATOM 263 CD GLU A 20 9.414 10.507 1.291 1.00 0.00 C ATOM 264 OE1 GLU A 20 9.657 11.006 2.377 1.00 0.00 O ATOM 265 OE2 GLU A 20 8.994 11.133 0.332 1.00 0.00 O ATOM 0 H GLU A 20 11.591 9.196 4.258 1.00 0.00 H new ATOM 0 HA GLU A 20 12.369 7.779 1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.141 7.396 2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.993 8.960 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.250 8.818 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.699 8.491 0.978 1.00 0.00 H new ATOM 272 N ASN A 21 12.622 9.501 0.078 1.00 0.00 N ATOM 273 CA ASN A 21 12.902 10.557 -0.913 1.00 0.00 C ATOM 274 C ASN A 21 11.738 10.590 -1.906 1.00 0.00 C ATOM 275 O ASN A 21 11.538 11.548 -2.627 1.00 0.00 O ATOM 276 CB ASN A 21 14.203 10.134 -1.600 1.00 0.00 C ATOM 277 CG ASN A 21 15.156 9.451 -0.604 1.00 0.00 C ATOM 278 OD1 ASN A 21 15.073 9.713 0.676 1.00 0.00 O flip ATOM 279 ND2 ASN A 21 15.993 8.665 -1.001 1.00 0.00 N flip ATOM 0 H ASN A 21 12.808 8.549 -0.238 1.00 0.00 H new ATOM 0 HA ASN A 21 13.005 11.551 -0.477 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.980 9.453 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.690 11.007 -2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.064 8.455 -1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.625 8.215 -0.339 1.00 0.00 H new ATOM 286 N LEU A 22 10.961 9.535 -1.930 1.00 0.00 N ATOM 287 CA LEU A 22 9.793 9.466 -2.848 1.00 0.00 C ATOM 288 C LEU A 22 8.717 8.557 -2.254 1.00 0.00 C ATOM 289 O LEU A 22 8.814 8.115 -1.129 1.00 0.00 O ATOM 290 CB LEU A 22 10.333 8.844 -4.131 1.00 0.00 C ATOM 291 CG LEU A 22 10.877 7.445 -3.835 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.103 6.408 -4.657 1.00 0.00 C ATOM 293 CD2 LEU A 22 12.358 7.391 -4.213 1.00 0.00 C ATOM 0 H LEU A 22 11.092 8.711 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 22 9.346 10.446 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.543 8.787 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.122 9.471 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 22 10.760 7.225 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.492 5.412 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.046 6.449 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.220 6.625 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.751 6.396 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.471 7.610 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.909 8.129 -3.630 1.00 0.00 H new ATOM 305 N CYS A 23 7.705 8.258 -3.013 1.00 0.00 N ATOM 306 CA CYS A 23 6.633 7.360 -2.515 1.00 0.00 C ATOM 307 C CYS A 23 6.871 5.960 -3.061 1.00 0.00 C ATOM 308 O CYS A 23 7.838 5.715 -3.754 1.00 0.00 O ATOM 309 CB CYS A 23 5.351 7.920 -3.099 1.00 0.00 C ATOM 310 SG CYS A 23 5.275 9.699 -2.801 1.00 0.00 S ATOM 0 H CYS A 23 7.574 8.600 -3.965 1.00 0.00 H new ATOM 0 HA CYS A 23 6.600 7.305 -1.427 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.309 7.718 -4.169 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.489 7.428 -2.648 1.00 0.00 H new ATOM 315 N TYR A 24 5.998 5.040 -2.789 1.00 0.00 N ATOM 316 CA TYR A 24 6.216 3.681 -3.330 1.00 0.00 C ATOM 317 C TYR A 24 4.932 2.871 -3.363 1.00 0.00 C ATOM 318 O TYR A 24 3.896 3.296 -2.909 1.00 0.00 O ATOM 319 CB TYR A 24 7.245 3.034 -2.405 1.00 0.00 C ATOM 320 CG TYR A 24 6.571 2.567 -1.143 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.439 3.435 -0.060 1.00 0.00 C ATOM 322 CD2 TYR A 24 6.083 1.263 -1.061 1.00 0.00 C ATOM 323 CE1 TYR A 24 5.816 2.999 1.116 1.00 0.00 C ATOM 324 CE2 TYR A 24 5.459 0.824 0.112 1.00 0.00 C ATOM 325 CZ TYR A 24 5.326 1.692 1.201 1.00 0.00 C ATOM 326 OH TYR A 24 4.711 1.259 2.359 1.00 0.00 O ATOM 0 H TYR A 24 5.157 5.167 -2.226 1.00 0.00 H new ATOM 0 HA TYR A 24 6.563 3.722 -4.362 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.721 2.192 -2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.032 3.748 -2.165 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.817 4.444 -0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.187 0.593 -1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.714 3.671 1.956 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.080 -0.185 0.177 1.00 0.00 H new ATOM 0 HH TYR A 24 4.428 0.327 2.250 1.00 0.00 H new ATOM 336 N ARG A 25 5.008 1.698 -3.909 1.00 0.00 N ATOM 337 CA ARG A 25 3.798 0.829 -3.988 1.00 0.00 C ATOM 338 C ARG A 25 4.190 -0.609 -3.627 1.00 0.00 C ATOM 339 O ARG A 25 4.994 -1.215 -4.301 1.00 0.00 O ATOM 340 CB ARG A 25 3.335 0.897 -5.452 1.00 0.00 C ATOM 341 CG ARG A 25 3.663 2.268 -6.059 1.00 0.00 C ATOM 342 CD ARG A 25 3.013 2.383 -7.439 1.00 0.00 C ATOM 343 NE ARG A 25 4.152 2.386 -8.399 1.00 0.00 N ATOM 344 CZ ARG A 25 3.925 2.412 -9.684 1.00 0.00 C ATOM 345 NH1 ARG A 25 3.405 1.371 -10.275 1.00 0.00 N ATOM 346 NH2 ARG A 25 4.222 3.476 -10.378 1.00 0.00 N ATOM 0 H ARG A 25 5.857 1.296 -4.307 1.00 0.00 H new ATOM 0 HA ARG A 25 3.011 1.149 -3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.822 0.111 -6.030 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.262 0.716 -5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.300 3.063 -5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.743 2.392 -6.142 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.338 1.548 -7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.423 3.295 -7.523 1.00 0.00 H new ATOM 0 HE ARG A 25 5.111 2.368 -8.052 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.176 0.538 -9.733 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.227 1.391 -11.279 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.632 4.288 -9.916 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.044 3.496 -11.382 1.00 0.00 H new ATOM 360 N LYS A 26 3.646 -1.177 -2.584 1.00 0.00 N ATOM 361 CA LYS A 26 4.048 -2.567 -2.246 1.00 0.00 C ATOM 362 C LYS A 26 2.911 -3.537 -2.488 1.00 0.00 C ATOM 363 O LYS A 26 1.767 -3.167 -2.662 1.00 0.00 O ATOM 364 CB LYS A 26 4.414 -2.566 -0.762 1.00 0.00 C ATOM 365 CG LYS A 26 5.924 -2.748 -0.617 1.00 0.00 C ATOM 366 CD LYS A 26 6.346 -2.443 0.821 1.00 0.00 C ATOM 367 CE LYS A 26 7.241 -1.203 0.842 1.00 0.00 C ATOM 368 NZ LYS A 26 8.579 -1.701 1.264 1.00 0.00 N ATOM 0 H LYS A 26 2.957 -0.749 -1.966 1.00 0.00 H new ATOM 0 HA LYS A 26 4.884 -2.883 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.102 -1.630 -0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.888 -3.368 -0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.204 -3.768 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.447 -2.087 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.465 -2.279 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.879 -3.295 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.287 -0.733 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.861 -0.454 1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.268 -0.924 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.524 -2.061 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.881 -2.467 0.629 1.00 0.00 H new ATOM 382 N MET A 27 3.238 -4.784 -2.477 1.00 0.00 N ATOM 383 CA MET A 27 2.223 -5.833 -2.679 1.00 0.00 C ATOM 384 C MET A 27 2.767 -7.126 -2.131 1.00 0.00 C ATOM 385 O MET A 27 3.931 -7.440 -2.278 1.00 0.00 O ATOM 386 CB MET A 27 2.004 -5.910 -4.188 1.00 0.00 C ATOM 387 CG MET A 27 0.596 -5.420 -4.528 1.00 0.00 C ATOM 388 SD MET A 27 0.594 -4.698 -6.187 1.00 0.00 S ATOM 389 CE MET A 27 1.330 -3.106 -5.742 1.00 0.00 C ATOM 0 H MET A 27 4.187 -5.129 -2.333 1.00 0.00 H new ATOM 0 HA MET A 27 1.280 -5.628 -2.172 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.746 -5.302 -4.705 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.136 -6.936 -4.533 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.111 -6.248 -4.479 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.270 -4.680 -3.797 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.152 -2.387 -6.542 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.878 -2.742 -4.819 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.403 -3.229 -5.597 1.00 0.00 H new ATOM 399 N TRP A 28 1.950 -7.859 -1.459 1.00 0.00 N ATOM 400 CA TRP A 28 2.448 -9.104 -0.858 1.00 0.00 C ATOM 401 C TRP A 28 1.328 -10.131 -0.711 1.00 0.00 C ATOM 402 O TRP A 28 1.024 -10.861 -1.631 1.00 0.00 O ATOM 403 CB TRP A 28 2.993 -8.678 0.511 1.00 0.00 C ATOM 404 CG TRP A 28 2.308 -7.443 1.046 1.00 0.00 C ATOM 405 CD1 TRP A 28 0.968 -7.277 1.203 1.00 0.00 C ATOM 406 CD2 TRP A 28 2.922 -6.209 1.516 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.735 -6.021 1.749 1.00 0.00 N ATOM 408 CE2 TRP A 28 1.908 -5.328 1.956 1.00 0.00 C ATOM 409 CE3 TRP A 28 4.252 -5.779 1.601 1.00 0.00 C ATOM 410 CZ2 TRP A 28 2.208 -4.065 2.467 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.561 -4.508 2.112 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.540 -3.653 2.546 1.00 0.00 C ATOM 0 H TRP A 28 0.964 -7.653 -1.300 1.00 0.00 H new ATOM 0 HA TRP A 28 3.209 -9.584 -1.473 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.866 -9.496 1.220 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.064 -8.490 0.430 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.210 -8.002 0.946 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.192 -5.656 1.970 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.047 -6.431 1.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.416 -3.411 2.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.591 -4.188 2.171 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.782 -2.677 2.941 1.00 0.00 H new ATOM 423 N CYS A 29 0.728 -10.205 0.440 1.00 0.00 N ATOM 424 CA CYS A 29 -0.356 -11.194 0.667 1.00 0.00 C ATOM 425 C CYS A 29 -0.919 -10.995 2.080 1.00 0.00 C ATOM 426 O CYS A 29 -0.219 -11.168 3.058 1.00 0.00 O ATOM 427 CB CYS A 29 0.357 -12.538 0.571 1.00 0.00 C ATOM 428 SG CYS A 29 0.067 -13.318 -1.041 1.00 0.00 S ATOM 0 H CYS A 29 0.945 -9.615 1.243 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.184 -11.108 -0.036 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.427 -12.397 0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.006 -13.197 1.365 1.00 0.00 H new ATOM 433 N ASP A 30 -2.163 -10.626 2.206 1.00 0.00 N ATOM 434 CA ASP A 30 -2.731 -10.415 3.572 1.00 0.00 C ATOM 435 C ASP A 30 -2.865 -11.754 4.302 1.00 0.00 C ATOM 436 O ASP A 30 -3.728 -12.553 3.997 1.00 0.00 O ATOM 437 CB ASP A 30 -4.108 -9.791 3.345 1.00 0.00 C ATOM 438 CG ASP A 30 -4.650 -9.258 4.673 1.00 0.00 C ATOM 439 OD1 ASP A 30 -4.101 -8.287 5.167 1.00 0.00 O ATOM 440 OD2 ASP A 30 -5.603 -9.831 5.174 1.00 0.00 O ATOM 0 H ASP A 30 -2.808 -10.462 1.433 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.094 -9.778 4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.037 -8.982 2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.792 -10.533 2.932 1.00 0.00 H new ATOM 445 N ALA A 31 -2.016 -12.005 5.264 1.00 0.00 N ATOM 446 CA ALA A 31 -2.087 -13.294 6.015 1.00 0.00 C ATOM 447 C ALA A 31 -1.753 -14.465 5.085 1.00 0.00 C ATOM 448 O ALA A 31 -0.623 -14.903 5.007 1.00 0.00 O ATOM 449 CB ALA A 31 -3.530 -13.393 6.516 1.00 0.00 C ATOM 0 H ALA A 31 -1.275 -11.371 5.563 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.374 -13.330 6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.657 -14.318 7.078 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.750 -12.543 7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.212 -13.389 5.665 1.00 0.00 H new ATOM 455 N PHE A 32 -2.723 -14.968 4.371 1.00 0.00 N ATOM 456 CA PHE A 32 -2.453 -16.100 3.439 1.00 0.00 C ATOM 457 C PHE A 32 -2.969 -15.739 2.048 1.00 0.00 C ATOM 458 O PHE A 32 -3.187 -16.590 1.208 1.00 0.00 O ATOM 459 CB PHE A 32 -3.226 -17.288 4.014 1.00 0.00 C ATOM 460 CG PHE A 32 -2.549 -17.766 5.276 1.00 0.00 C ATOM 461 CD1 PHE A 32 -1.183 -18.077 5.265 1.00 0.00 C ATOM 462 CD2 PHE A 32 -3.287 -17.899 6.458 1.00 0.00 C ATOM 463 CE1 PHE A 32 -0.556 -18.520 6.437 1.00 0.00 C ATOM 464 CE2 PHE A 32 -2.660 -18.342 7.629 1.00 0.00 C ATOM 465 CZ PHE A 32 -1.295 -18.653 7.619 1.00 0.00 C ATOM 0 H PHE A 32 -3.690 -14.644 4.393 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.391 -16.327 3.346 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.254 -16.997 4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.269 -18.096 3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.613 -17.975 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.340 -17.660 6.467 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.497 -18.759 6.429 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.230 -18.444 8.541 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.812 -18.995 8.522 1.00 0.00 H new ATOM 475 N CYS A 33 -3.165 -14.473 1.806 1.00 0.00 N ATOM 476 CA CYS A 33 -3.667 -14.028 0.479 1.00 0.00 C ATOM 477 C CYS A 33 -5.038 -14.634 0.194 1.00 0.00 C ATOM 478 O CYS A 33 -5.184 -15.830 0.035 1.00 0.00 O ATOM 479 CB CYS A 33 -2.641 -14.529 -0.530 1.00 0.00 C ATOM 480 SG CYS A 33 -1.910 -13.110 -1.375 1.00 0.00 S ATOM 0 H CYS A 33 -2.997 -13.723 2.477 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.786 -12.945 0.433 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.867 -15.107 -0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.116 -15.194 -1.252 1.00 0.00 H new ATOM 485 N SER A 34 -6.043 -13.812 0.124 1.00 0.00 N ATOM 486 CA SER A 34 -7.412 -14.331 -0.157 1.00 0.00 C ATOM 487 C SER A 34 -7.493 -14.831 -1.603 1.00 0.00 C ATOM 488 O SER A 34 -6.489 -15.044 -2.252 1.00 0.00 O ATOM 489 CB SER A 34 -8.341 -13.135 0.052 1.00 0.00 C ATOM 490 OG SER A 34 -7.982 -12.466 1.255 1.00 0.00 O ATOM 0 H SER A 34 -5.979 -12.802 0.249 1.00 0.00 H new ATOM 0 HA SER A 34 -7.680 -15.168 0.487 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.268 -12.451 -0.794 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.377 -13.469 0.103 1.00 0.00 H new ATOM 0 HG SER A 34 -8.575 -11.697 1.391 1.00 0.00 H new ATOM 496 N SER A 35 -8.679 -15.022 -2.112 1.00 0.00 N ATOM 497 CA SER A 35 -8.816 -15.509 -3.516 1.00 0.00 C ATOM 498 C SER A 35 -8.972 -14.325 -4.472 1.00 0.00 C ATOM 499 O SER A 35 -9.625 -14.420 -5.493 1.00 0.00 O ATOM 500 CB SER A 35 -10.081 -16.366 -3.515 1.00 0.00 C ATOM 501 OG SER A 35 -9.847 -17.549 -4.266 1.00 0.00 O ATOM 0 H SER A 35 -9.558 -14.863 -1.619 1.00 0.00 H new ATOM 0 HA SER A 35 -7.942 -16.071 -3.846 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.361 -16.620 -2.493 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.913 -15.808 -3.944 1.00 0.00 H new ATOM 0 HG SER A 35 -10.656 -18.102 -4.266 1.00 0.00 H new ATOM 507 N ARG A 36 -8.380 -13.208 -4.150 1.00 0.00 N ATOM 508 CA ARG A 36 -8.499 -12.019 -5.041 1.00 0.00 C ATOM 509 C ARG A 36 -7.114 -11.449 -5.360 1.00 0.00 C ATOM 510 O ARG A 36 -6.978 -10.518 -6.128 1.00 0.00 O ATOM 511 CB ARG A 36 -9.321 -11.011 -4.240 1.00 0.00 C ATOM 512 CG ARG A 36 -10.559 -11.704 -3.668 1.00 0.00 C ATOM 513 CD ARG A 36 -11.545 -12.005 -4.800 1.00 0.00 C ATOM 514 NE ARG A 36 -12.850 -12.239 -4.122 1.00 0.00 N ATOM 515 CZ ARG A 36 -13.332 -13.449 -4.032 1.00 0.00 C ATOM 516 NH1 ARG A 36 -13.965 -13.977 -5.045 1.00 0.00 N ATOM 517 NH2 ARG A 36 -13.184 -14.130 -2.929 1.00 0.00 N ATOM 0 H ARG A 36 -7.820 -13.067 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.965 -12.264 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.719 -10.594 -3.433 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.619 -10.179 -4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.272 -12.628 -3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.032 -11.068 -2.919 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.608 -11.172 -5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.235 -12.880 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.368 -11.454 -3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.083 -13.444 -5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.341 -14.922 -4.975 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.692 -13.717 -2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.561 -15.075 -2.859 1.00 0.00 H new ATOM 531 N GLY A 37 -6.086 -12.000 -4.777 1.00 0.00 N ATOM 532 CA GLY A 37 -4.714 -11.486 -5.049 1.00 0.00 C ATOM 533 C GLY A 37 -4.076 -11.020 -3.740 1.00 0.00 C ATOM 534 O GLY A 37 -4.483 -11.417 -2.666 1.00 0.00 O ATOM 0 H GLY A 37 -6.136 -12.783 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.105 -12.267 -5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.758 -10.660 -5.759 1.00 0.00 H new ATOM 538 N LYS A 38 -3.094 -10.164 -3.817 1.00 0.00 N ATOM 539 CA LYS A 38 -2.454 -9.657 -2.576 1.00 0.00 C ATOM 540 C LYS A 38 -3.140 -8.356 -2.184 1.00 0.00 C ATOM 541 O LYS A 38 -4.345 -8.225 -2.265 1.00 0.00 O ATOM 542 CB LYS A 38 -0.987 -9.391 -2.934 1.00 0.00 C ATOM 543 CG LYS A 38 -0.457 -10.463 -3.887 1.00 0.00 C ATOM 544 CD LYS A 38 -0.584 -9.977 -5.333 1.00 0.00 C ATOM 545 CE LYS A 38 0.800 -9.949 -5.986 1.00 0.00 C ATOM 546 NZ LYS A 38 0.577 -9.353 -7.333 1.00 0.00 N ATOM 0 H LYS A 38 -2.709 -9.795 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.531 -10.360 -1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.893 -8.408 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.384 -9.375 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.586 -10.684 -3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.016 -11.390 -3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.248 -10.636 -5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.029 -8.982 -5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.501 -9.353 -5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.221 -10.951 -6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.482 -9.300 -7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.089 -9.946 -7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.182 -8.397 -7.228 1.00 0.00 H new ATOM 560 N VAL A 39 -2.377 -7.380 -1.806 1.00 0.00 N ATOM 561 CA VAL A 39 -2.964 -6.069 -1.461 1.00 0.00 C ATOM 562 C VAL A 39 -2.262 -5.015 -2.307 1.00 0.00 C ATOM 563 O VAL A 39 -1.662 -5.318 -3.318 1.00 0.00 O ATOM 564 CB VAL A 39 -2.669 -5.852 0.029 1.00 0.00 C ATOM 565 CG1 VAL A 39 -3.701 -4.889 0.620 1.00 0.00 C ATOM 566 CG2 VAL A 39 -2.742 -7.186 0.778 1.00 0.00 C ATOM 0 H VAL A 39 -1.362 -7.436 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.037 -6.014 -1.647 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.668 -5.433 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.491 -4.735 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.649 -3.934 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.700 -5.311 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.531 -7.022 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.740 -7.611 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.007 -7.876 0.364 1.00 0.00 H new ATOM 576 N VAL A 40 -2.305 -3.796 -1.895 1.00 0.00 N ATOM 577 CA VAL A 40 -1.615 -2.720 -2.652 1.00 0.00 C ATOM 578 C VAL A 40 -1.326 -1.633 -1.649 1.00 0.00 C ATOM 579 O VAL A 40 -2.048 -0.668 -1.500 1.00 0.00 O ATOM 580 CB VAL A 40 -2.564 -2.250 -3.756 1.00 0.00 C ATOM 581 CG1 VAL A 40 -1.774 -2.136 -5.059 1.00 0.00 C ATOM 582 CG2 VAL A 40 -3.692 -3.263 -3.946 1.00 0.00 C ATOM 0 H VAL A 40 -2.794 -3.486 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.685 -3.037 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.993 -1.287 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.436 -1.802 -5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.965 -1.416 -4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.356 -3.109 -5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.362 -2.918 -4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.271 -4.229 -4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.250 -3.365 -3.015 1.00 0.00 H new ATOM 592 N GLU A 41 -0.301 -1.855 -0.904 1.00 0.00 N ATOM 593 CA GLU A 41 0.056 -0.930 0.190 1.00 0.00 C ATOM 594 C GLU A 41 1.156 0.051 -0.224 1.00 0.00 C ATOM 595 O GLU A 41 2.325 -0.165 0.023 1.00 0.00 O ATOM 596 CB GLU A 41 0.542 -1.864 1.295 1.00 0.00 C ATOM 597 CG GLU A 41 -0.434 -3.037 1.442 1.00 0.00 C ATOM 598 CD GLU A 41 -0.924 -3.115 2.889 1.00 0.00 C ATOM 599 OE1 GLU A 41 -1.620 -2.205 3.309 1.00 0.00 O ATOM 600 OE2 GLU A 41 -0.598 -4.085 3.553 1.00 0.00 O ATOM 0 H GLU A 41 0.322 -2.656 -1.006 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.781 -0.301 0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.539 -2.235 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.618 -1.321 2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.280 -2.907 0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.057 -3.969 1.162 1.00 0.00 H new ATOM 607 N LEU A 42 0.778 1.140 -0.838 1.00 0.00 N ATOM 608 CA LEU A 42 1.784 2.157 -1.256 1.00 0.00 C ATOM 609 C LEU A 42 2.129 3.049 -0.063 1.00 0.00 C ATOM 610 O LEU A 42 1.620 2.867 1.024 1.00 0.00 O ATOM 611 CB LEU A 42 1.103 2.991 -2.351 1.00 0.00 C ATOM 612 CG LEU A 42 0.200 2.118 -3.229 1.00 0.00 C ATOM 613 CD1 LEU A 42 -1.236 2.627 -3.128 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.665 2.219 -4.680 1.00 0.00 C ATOM 0 H LEU A 42 -0.189 1.369 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 42 2.706 1.699 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.513 3.785 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.860 3.473 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 42 0.250 1.081 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.885 2.011 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.569 2.573 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.280 3.661 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.027 1.600 -5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.605 3.256 -5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.696 1.873 -4.757 1.00 0.00 H new ATOM 626 N GLY A 43 2.981 4.019 -0.253 1.00 0.00 N ATOM 627 CA GLY A 43 3.330 4.916 0.891 1.00 0.00 C ATOM 628 C GLY A 43 4.623 5.683 0.600 1.00 0.00 C ATOM 629 O GLY A 43 4.830 6.180 -0.486 1.00 0.00 O ATOM 0 H GLY A 43 3.446 4.230 -1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.516 5.619 1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.448 4.326 1.800 1.00 0.00 H new ATOM 633 N CYS A 44 5.486 5.801 1.573 1.00 0.00 N ATOM 634 CA CYS A 44 6.755 6.547 1.364 1.00 0.00 C ATOM 635 C CYS A 44 7.957 5.607 1.494 1.00 0.00 C ATOM 636 O CYS A 44 7.871 4.550 2.088 1.00 0.00 O ATOM 637 CB CYS A 44 6.782 7.574 2.492 1.00 0.00 C ATOM 638 SG CYS A 44 5.177 8.400 2.622 1.00 0.00 S ATOM 0 H CYS A 44 5.364 5.410 2.507 1.00 0.00 H new ATOM 0 HA CYS A 44 6.807 7.001 0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.024 7.083 3.435 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.564 8.310 2.305 1.00 0.00 H new ATOM 643 N ALA A 45 9.079 5.992 0.954 1.00 0.00 N ATOM 644 CA ALA A 45 10.289 5.142 1.054 1.00 0.00 C ATOM 645 C ALA A 45 11.511 5.915 0.557 1.00 0.00 C ATOM 646 O ALA A 45 11.412 6.768 -0.302 1.00 0.00 O ATOM 647 CB ALA A 45 10.010 3.930 0.165 1.00 0.00 C ATOM 0 H ALA A 45 9.207 6.866 0.445 1.00 0.00 H new ATOM 0 HA ALA A 45 10.499 4.840 2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.866 3.255 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.125 3.408 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.840 4.262 -0.859 1.00 0.00 H new ATOM 653 N ALA A 46 12.662 5.632 1.100 1.00 0.00 N ATOM 654 CA ALA A 46 13.885 6.362 0.666 1.00 0.00 C ATOM 655 C ALA A 46 14.243 6.009 -0.781 1.00 0.00 C ATOM 656 O ALA A 46 14.621 6.862 -1.560 1.00 0.00 O ATOM 657 CB ALA A 46 14.984 5.895 1.620 1.00 0.00 C ATOM 0 H ALA A 46 12.808 4.928 1.824 1.00 0.00 H new ATOM 0 HA ALA A 46 13.747 7.443 0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.921 6.389 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.708 6.146 2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.108 4.816 1.532 1.00 0.00 H new ATOM 663 N THR A 47 14.133 4.763 -1.147 1.00 0.00 N ATOM 664 CA THR A 47 14.474 4.367 -2.544 1.00 0.00 C ATOM 665 C THR A 47 13.745 3.075 -2.918 1.00 0.00 C ATOM 666 O THR A 47 13.519 2.219 -2.088 1.00 0.00 O ATOM 667 CB THR A 47 15.988 4.148 -2.533 1.00 0.00 C ATOM 668 OG1 THR A 47 16.445 3.956 -3.865 1.00 0.00 O ATOM 669 CG2 THR A 47 16.322 2.916 -1.692 1.00 0.00 C ATOM 0 H THR A 47 13.823 4.003 -0.542 1.00 0.00 H new ATOM 0 HA THR A 47 14.177 5.120 -3.274 1.00 0.00 H new ATOM 0 HB THR A 47 16.480 5.020 -2.102 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.415 3.817 -3.861 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.401 2.762 -1.685 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.971 3.066 -0.671 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.833 2.040 -2.119 1.00 0.00 H new ATOM 677 N CYS A 48 13.375 2.933 -4.162 1.00 0.00 N ATOM 678 CA CYS A 48 12.655 1.698 -4.595 1.00 0.00 C ATOM 679 C CYS A 48 13.273 0.463 -3.932 1.00 0.00 C ATOM 680 O CYS A 48 14.294 -0.031 -4.369 1.00 0.00 O ATOM 681 CB CYS A 48 12.839 1.635 -6.114 1.00 0.00 C ATOM 682 SG CYS A 48 12.237 3.167 -6.873 1.00 0.00 S ATOM 0 H CYS A 48 13.540 3.619 -4.899 1.00 0.00 H new ATOM 0 HA CYS A 48 11.602 1.719 -4.313 1.00 0.00 H new ATOM 0 HB2 CYS A 48 13.892 1.489 -6.356 1.00 0.00 H new ATOM 0 HB3 CYS A 48 12.297 0.781 -6.520 1.00 0.00 H new ATOM 687 N PRO A 49 12.629 0.005 -2.893 1.00 0.00 N ATOM 688 CA PRO A 49 13.120 -1.183 -2.158 1.00 0.00 C ATOM 689 C PRO A 49 12.740 -2.465 -2.906 1.00 0.00 C ATOM 690 O PRO A 49 11.583 -2.715 -3.172 1.00 0.00 O ATOM 691 CB PRO A 49 12.389 -1.103 -0.823 1.00 0.00 C ATOM 692 CG PRO A 49 11.143 -0.319 -1.098 1.00 0.00 C ATOM 693 CD PRO A 49 11.397 0.546 -2.310 1.00 0.00 C ATOM 0 HA PRO A 49 14.204 -1.201 -2.047 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.152 -2.097 -0.445 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.003 -0.613 -0.068 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.302 -0.989 -1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.882 0.297 -0.237 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.568 0.495 -3.016 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.515 1.593 -2.033 1.00 0.00 H new ATOM 701 N SER A 50 13.700 -3.279 -3.244 1.00 0.00 N ATOM 702 CA SER A 50 13.379 -4.542 -3.971 1.00 0.00 C ATOM 703 C SER A 50 13.564 -5.747 -3.045 1.00 0.00 C ATOM 704 O SER A 50 14.432 -5.760 -2.195 1.00 0.00 O ATOM 705 CB SER A 50 14.375 -4.599 -5.129 1.00 0.00 C ATOM 706 OG SER A 50 13.840 -3.898 -6.244 1.00 0.00 O ATOM 0 H SER A 50 14.690 -3.127 -3.050 1.00 0.00 H new ATOM 0 HA SER A 50 12.347 -4.565 -4.321 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.325 -4.157 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.577 -5.635 -5.399 1.00 0.00 H new ATOM 0 HG SER A 50 14.477 -3.931 -6.988 1.00 0.00 H new ATOM 712 N LYS A 51 12.757 -6.762 -3.201 1.00 0.00 N ATOM 713 CA LYS A 51 12.895 -7.962 -2.326 1.00 0.00 C ATOM 714 C LYS A 51 13.323 -9.176 -3.155 1.00 0.00 C ATOM 715 O LYS A 51 13.225 -9.181 -4.366 1.00 0.00 O ATOM 716 CB LYS A 51 11.510 -8.177 -1.716 1.00 0.00 C ATOM 717 CG LYS A 51 11.574 -7.912 -0.210 1.00 0.00 C ATOM 718 CD LYS A 51 11.186 -6.458 0.070 1.00 0.00 C ATOM 719 CE LYS A 51 10.604 -6.346 1.480 1.00 0.00 C ATOM 720 NZ LYS A 51 11.721 -5.825 2.315 1.00 0.00 N ATOM 0 H LYS A 51 12.010 -6.812 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 51 13.654 -7.826 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.786 -7.510 -2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.172 -9.196 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.900 -8.587 0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.579 -8.109 0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.059 -5.813 -0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.456 -6.118 -0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.747 -5.672 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.258 -7.314 1.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.400 -5.721 3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.520 -6.490 2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.025 -4.900 1.950 1.00 0.00 H new ATOM 734 N LYS A 52 13.817 -10.198 -2.510 1.00 0.00 N ATOM 735 CA LYS A 52 14.276 -11.407 -3.256 1.00 0.00 C ATOM 736 C LYS A 52 13.211 -12.525 -3.295 1.00 0.00 C ATOM 737 O LYS A 52 13.154 -13.264 -4.258 1.00 0.00 O ATOM 738 CB LYS A 52 15.514 -11.884 -2.494 1.00 0.00 C ATOM 739 CG LYS A 52 16.744 -11.790 -3.402 1.00 0.00 C ATOM 740 CD LYS A 52 17.976 -12.299 -2.648 1.00 0.00 C ATOM 741 CE LYS A 52 19.246 -11.885 -3.399 1.00 0.00 C ATOM 742 NZ LYS A 52 19.719 -13.127 -4.073 1.00 0.00 N ATOM 0 H LYS A 52 13.923 -10.249 -1.497 1.00 0.00 H new ATOM 0 HA LYS A 52 14.478 -11.165 -4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.661 -11.276 -1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.374 -12.912 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.588 -12.380 -4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.898 -10.758 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.990 -11.892 -1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.935 -13.384 -2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.037 -11.098 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.000 -11.496 -2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.587 -12.922 -4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.917 -13.856 -3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.984 -13.470 -4.724 1.00 0.00 H new ATOM 756 N PRO A 53 12.415 -12.647 -2.255 1.00 0.00 N ATOM 757 CA PRO A 53 11.393 -13.723 -2.227 1.00 0.00 C ATOM 758 C PRO A 53 10.204 -13.399 -3.138 1.00 0.00 C ATOM 759 O PRO A 53 10.164 -13.801 -4.284 1.00 0.00 O ATOM 760 CB PRO A 53 10.964 -13.777 -0.765 1.00 0.00 C ATOM 761 CG PRO A 53 11.261 -12.420 -0.213 1.00 0.00 C ATOM 762 CD PRO A 53 12.378 -11.826 -1.036 1.00 0.00 C ATOM 0 HA PRO A 53 11.782 -14.674 -2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.904 -14.014 -0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.510 -14.549 -0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.375 -11.787 -0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.552 -12.489 0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.186 -10.779 -1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.328 -11.865 -0.503 1.00 0.00 H new ATOM 770 N TYR A 54 9.226 -12.700 -2.633 1.00 0.00 N ATOM 771 CA TYR A 54 8.027 -12.380 -3.471 1.00 0.00 C ATOM 772 C TYR A 54 7.550 -10.947 -3.218 1.00 0.00 C ATOM 773 O TYR A 54 6.553 -10.514 -3.760 1.00 0.00 O ATOM 774 CB TYR A 54 6.941 -13.386 -3.046 1.00 0.00 C ATOM 775 CG TYR A 54 7.191 -13.863 -1.631 1.00 0.00 C ATOM 776 CD1 TYR A 54 7.287 -12.935 -0.587 1.00 0.00 C ATOM 777 CD2 TYR A 54 7.342 -15.229 -1.369 1.00 0.00 C ATOM 778 CE1 TYR A 54 7.531 -13.374 0.719 1.00 0.00 C ATOM 779 CE2 TYR A 54 7.587 -15.669 -0.063 1.00 0.00 C ATOM 780 CZ TYR A 54 7.682 -14.741 0.982 1.00 0.00 C ATOM 781 OH TYR A 54 7.924 -15.174 2.270 1.00 0.00 O ATOM 0 H TYR A 54 9.201 -12.336 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 54 8.256 -12.453 -4.534 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.958 -12.920 -3.111 1.00 0.00 H new ATOM 0 HB3 TYR A 54 6.936 -14.236 -3.728 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.173 -11.880 -0.790 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.269 -15.944 -2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.603 -12.658 1.525 1.00 0.00 H new ATOM 0 HE2 TYR A 54 7.703 -16.724 0.139 1.00 0.00 H new ATOM 0 HH TYR A 54 8.002 -16.151 2.278 1.00 0.00 H new ATOM 791 N GLU A 55 8.248 -10.207 -2.403 1.00 0.00 N ATOM 792 CA GLU A 55 7.821 -8.805 -2.129 1.00 0.00 C ATOM 793 C GLU A 55 8.034 -7.939 -3.372 1.00 0.00 C ATOM 794 O GLU A 55 9.149 -7.699 -3.789 1.00 0.00 O ATOM 795 CB GLU A 55 8.720 -8.336 -0.987 1.00 0.00 C ATOM 796 CG GLU A 55 7.893 -8.205 0.292 1.00 0.00 C ATOM 797 CD GLU A 55 7.925 -9.529 1.057 1.00 0.00 C ATOM 798 OE1 GLU A 55 8.985 -10.131 1.116 1.00 0.00 O ATOM 799 OE2 GLU A 55 6.889 -9.920 1.569 1.00 0.00 O ATOM 0 H GLU A 55 9.092 -10.509 -1.916 1.00 0.00 H new ATOM 0 HA GLU A 55 6.764 -8.735 -1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.534 -9.045 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.175 -7.378 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.290 -7.403 0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.865 -7.939 0.047 1.00 0.00 H new ATOM 806 N GLU A 56 6.973 -7.470 -3.970 1.00 0.00 N ATOM 807 CA GLU A 56 7.119 -6.623 -5.187 1.00 0.00 C ATOM 808 C GLU A 56 6.797 -5.165 -4.854 1.00 0.00 C ATOM 809 O GLU A 56 5.657 -4.747 -4.896 1.00 0.00 O ATOM 810 CB GLU A 56 6.106 -7.183 -6.185 1.00 0.00 C ATOM 811 CG GLU A 56 6.831 -8.039 -7.226 1.00 0.00 C ATOM 812 CD GLU A 56 6.051 -8.011 -8.541 1.00 0.00 C ATOM 813 OE1 GLU A 56 5.263 -7.097 -8.720 1.00 0.00 O ATOM 814 OE2 GLU A 56 6.254 -8.905 -9.347 1.00 0.00 O ATOM 0 H GLU A 56 6.013 -7.637 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 56 8.133 -6.642 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.359 -7.782 -5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.575 -6.368 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.842 -7.662 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.925 -9.064 -6.868 1.00 0.00 H new ATOM 821 N VAL A 57 7.791 -4.389 -4.524 1.00 0.00 N ATOM 822 CA VAL A 57 7.536 -2.959 -4.190 1.00 0.00 C ATOM 823 C VAL A 57 7.717 -2.088 -5.436 1.00 0.00 C ATOM 824 O VAL A 57 8.250 -2.523 -6.438 1.00 0.00 O ATOM 825 CB VAL A 57 8.580 -2.606 -3.133 1.00 0.00 C ATOM 826 CG1 VAL A 57 8.253 -1.239 -2.533 1.00 0.00 C ATOM 827 CG2 VAL A 57 8.567 -3.665 -2.028 1.00 0.00 C ATOM 0 H VAL A 57 8.767 -4.681 -4.471 1.00 0.00 H new ATOM 0 HA VAL A 57 6.521 -2.793 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 57 9.568 -2.575 -3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.997 -0.985 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.262 -0.485 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.266 -1.271 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.312 -3.413 -1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.580 -3.697 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.799 -4.640 -2.456 1.00 0.00 H new ATOM 837 N THR A 58 7.282 -0.859 -5.381 1.00 0.00 N ATOM 838 CA THR A 58 7.431 0.042 -6.558 1.00 0.00 C ATOM 839 C THR A 58 7.759 1.457 -6.086 1.00 0.00 C ATOM 840 O THR A 58 8.068 1.678 -4.931 1.00 0.00 O ATOM 841 CB THR A 58 6.073 0.008 -7.262 1.00 0.00 C ATOM 842 OG1 THR A 58 5.415 -1.215 -6.959 1.00 0.00 O ATOM 843 CG2 THR A 58 6.278 0.118 -8.774 1.00 0.00 C ATOM 0 H THR A 58 6.829 -0.439 -4.569 1.00 0.00 H new ATOM 0 HA THR A 58 8.236 -0.270 -7.224 1.00 0.00 H new ATOM 0 HB THR A 58 5.464 0.844 -6.918 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.127 -1.208 -6.022 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.310 0.094 -9.275 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.783 1.056 -9.005 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.887 -0.717 -9.120 1.00 0.00 H new ATOM 851 N CYS A 59 7.682 2.423 -6.958 1.00 0.00 N ATOM 852 CA CYS A 59 7.979 3.818 -6.534 1.00 0.00 C ATOM 853 C CYS A 59 7.021 4.801 -7.176 1.00 0.00 C ATOM 854 O CYS A 59 6.233 4.466 -8.038 1.00 0.00 O ATOM 855 CB CYS A 59 9.373 4.131 -7.042 1.00 0.00 C ATOM 856 SG CYS A 59 10.599 3.658 -5.797 1.00 0.00 S ATOM 0 H CYS A 59 7.428 2.308 -7.939 1.00 0.00 H new ATOM 0 HA CYS A 59 7.888 3.903 -5.451 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.560 3.595 -7.972 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.459 5.195 -7.265 1.00 0.00 H new ATOM 861 N CYS A 60 7.127 6.029 -6.783 1.00 0.00 N ATOM 862 CA CYS A 60 6.274 7.082 -7.385 1.00 0.00 C ATOM 863 C CYS A 60 6.747 8.458 -6.900 1.00 0.00 C ATOM 864 O CYS A 60 6.665 8.776 -5.732 1.00 0.00 O ATOM 865 CB CYS A 60 4.829 6.728 -6.960 1.00 0.00 C ATOM 866 SG CYS A 60 4.008 8.092 -6.078 1.00 0.00 S ATOM 0 H CYS A 60 7.773 6.355 -6.064 1.00 0.00 H new ATOM 0 HA CYS A 60 6.329 7.128 -8.473 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.247 6.469 -7.844 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.848 5.845 -6.321 1.00 0.00 H new ATOM 871 N SER A 61 7.263 9.267 -7.787 1.00 0.00 N ATOM 872 CA SER A 61 7.767 10.606 -7.367 1.00 0.00 C ATOM 873 C SER A 61 6.848 11.740 -7.846 1.00 0.00 C ATOM 874 O SER A 61 7.033 12.882 -7.477 1.00 0.00 O ATOM 875 CB SER A 61 9.139 10.725 -8.027 1.00 0.00 C ATOM 876 OG SER A 61 9.017 10.449 -9.416 1.00 0.00 O ATOM 0 H SER A 61 7.357 9.059 -8.781 1.00 0.00 H new ATOM 0 HA SER A 61 7.807 10.693 -6.281 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.542 11.727 -7.877 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.839 10.028 -7.566 1.00 0.00 H new ATOM 0 HG SER A 61 9.896 10.526 -9.843 1.00 0.00 H new ATOM 882 N THR A 62 5.866 11.454 -8.660 1.00 0.00 N ATOM 883 CA THR A 62 4.971 12.552 -9.133 1.00 0.00 C ATOM 884 C THR A 62 3.944 12.899 -8.051 1.00 0.00 C ATOM 885 O THR A 62 3.974 12.366 -6.960 1.00 0.00 O ATOM 886 CB THR A 62 4.274 12.005 -10.381 1.00 0.00 C ATOM 887 OG1 THR A 62 4.995 10.887 -10.879 1.00 0.00 O ATOM 888 CG2 THR A 62 4.220 13.096 -11.452 1.00 0.00 C ATOM 0 H THR A 62 5.646 10.523 -9.014 1.00 0.00 H new ATOM 0 HA THR A 62 5.526 13.464 -9.352 1.00 0.00 H new ATOM 0 HB THR A 62 3.261 11.695 -10.124 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.546 10.537 -11.677 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.724 12.708 -12.342 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.664 13.953 -11.071 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.233 13.405 -11.708 1.00 0.00 H new ATOM 896 N ASP A 63 3.036 13.789 -8.343 1.00 0.00 N ATOM 897 CA ASP A 63 2.010 14.164 -7.329 1.00 0.00 C ATOM 898 C ASP A 63 0.980 13.041 -7.198 1.00 0.00 C ATOM 899 O ASP A 63 0.415 12.590 -8.174 1.00 0.00 O ATOM 900 CB ASP A 63 1.356 15.434 -7.875 1.00 0.00 C ATOM 901 CG ASP A 63 1.907 16.652 -7.132 1.00 0.00 C ATOM 902 OD1 ASP A 63 1.367 16.979 -6.087 1.00 0.00 O ATOM 903 OD2 ASP A 63 2.858 17.239 -7.620 1.00 0.00 O ATOM 0 H ASP A 63 2.960 14.272 -9.238 1.00 0.00 H new ATOM 0 HA ASP A 63 2.439 14.325 -6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.553 15.527 -8.943 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.274 15.380 -7.754 1.00 0.00 H new ATOM 908 N LYS A 64 0.734 12.578 -6.003 1.00 0.00 N ATOM 909 CA LYS A 64 -0.255 11.479 -5.830 1.00 0.00 C ATOM 910 C LYS A 64 -0.015 10.398 -6.887 1.00 0.00 C ATOM 911 O LYS A 64 -0.934 9.923 -7.525 1.00 0.00 O ATOM 912 CB LYS A 64 -1.622 12.134 -6.033 1.00 0.00 C ATOM 913 CG LYS A 64 -1.705 13.412 -5.196 1.00 0.00 C ATOM 914 CD LYS A 64 -2.920 14.232 -5.633 1.00 0.00 C ATOM 915 CE LYS A 64 -2.912 15.581 -4.910 1.00 0.00 C ATOM 916 NZ LYS A 64 -4.170 16.254 -5.337 1.00 0.00 N ATOM 0 H LYS A 64 1.172 12.911 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.179 11.000 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.773 12.367 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.414 11.444 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.784 13.162 -4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.794 13.999 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.900 14.385 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.838 13.691 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.882 15.449 -3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.037 16.170 -5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.236 17.187 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.167 16.372 -6.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.986 15.674 -5.057 1.00 0.00 H new ATOM 930 N CYS A 65 1.216 10.005 -7.073 1.00 0.00 N ATOM 931 CA CYS A 65 1.513 8.948 -8.090 1.00 0.00 C ATOM 932 C CYS A 65 1.452 7.560 -7.443 1.00 0.00 C ATOM 933 O CYS A 65 2.031 6.610 -7.931 1.00 0.00 O ATOM 934 CB CYS A 65 2.914 9.241 -8.654 1.00 0.00 C ATOM 935 SG CYS A 65 4.080 9.661 -7.336 1.00 0.00 S ATOM 0 H CYS A 65 2.026 10.366 -6.570 1.00 0.00 H new ATOM 0 HA CYS A 65 0.777 8.958 -8.894 1.00 0.00 H new ATOM 0 HB2 CYS A 65 3.278 8.371 -9.200 1.00 0.00 H new ATOM 0 HB3 CYS A 65 2.856 10.063 -9.367 1.00 0.00 H new ATOM 940 N ASN A 66 0.738 7.436 -6.352 1.00 0.00 N ATOM 941 CA ASN A 66 0.619 6.112 -5.675 1.00 0.00 C ATOM 942 C ASN A 66 -0.803 5.517 -5.813 1.00 0.00 C ATOM 943 O ASN A 66 -1.234 4.790 -4.940 1.00 0.00 O ATOM 944 CB ASN A 66 0.911 6.410 -4.200 1.00 0.00 C ATOM 945 CG ASN A 66 2.227 5.763 -3.779 1.00 0.00 C ATOM 946 OD1 ASN A 66 2.410 5.427 -2.626 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.163 5.584 -4.663 1.00 0.00 N ATOM 0 H ASN A 66 0.232 8.198 -5.901 1.00 0.00 H new ATOM 0 HA ASN A 66 1.298 5.381 -6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.961 7.487 -4.043 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.098 6.035 -3.578 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.050 5.162 -4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.011 5.866 -5.631 1.00 0.00 H new ATOM 954 N PRO A 67 -1.500 5.831 -6.887 1.00 0.00 N ATOM 955 CA PRO A 67 -2.870 5.293 -7.066 1.00 0.00 C ATOM 956 C PRO A 67 -2.810 3.843 -7.546 1.00 0.00 C ATOM 957 O PRO A 67 -2.506 3.574 -8.691 1.00 0.00 O ATOM 958 CB PRO A 67 -3.471 6.179 -8.150 1.00 0.00 C ATOM 959 CG PRO A 67 -2.302 6.692 -8.928 1.00 0.00 C ATOM 960 CD PRO A 67 -1.108 6.692 -8.009 1.00 0.00 C ATOM 0 HA PRO A 67 -3.450 5.297 -6.143 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.152 5.615 -8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.045 6.998 -7.716 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.115 6.063 -9.798 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.500 7.698 -9.298 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.221 6.307 -8.512 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.870 7.700 -7.670 1.00 0.00 H new ATOM 968 N HIS A 68 -3.100 2.906 -6.690 1.00 0.00 N ATOM 969 CA HIS A 68 -3.060 1.484 -7.123 1.00 0.00 C ATOM 970 C HIS A 68 -4.387 1.109 -7.786 1.00 0.00 C ATOM 971 O HIS A 68 -5.333 1.866 -7.728 1.00 0.00 O ATOM 972 CB HIS A 68 -2.819 0.674 -5.841 1.00 0.00 C ATOM 973 CG HIS A 68 -3.942 0.845 -4.851 1.00 0.00 C ATOM 974 ND1 HIS A 68 -4.912 -0.130 -4.661 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.227 1.833 -3.940 1.00 0.00 C ATOM 976 CE1 HIS A 68 -5.719 0.285 -3.671 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.347 1.476 -3.195 1.00 0.00 N ATOM 0 H HIS A 68 -3.361 3.061 -5.716 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.278 1.289 -7.857 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.714 -0.381 -6.092 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.881 0.988 -5.384 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.996 -1.004 -5.180 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.667 2.748 -3.820 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.566 -0.276 -3.304 1.00 0.00 H new ATOM 985 N PRO A 69 -4.420 -0.046 -8.402 1.00 0.00 N ATOM 986 CA PRO A 69 -5.664 -0.502 -9.066 1.00 0.00 C ATOM 987 C PRO A 69 -6.684 -0.909 -8.001 1.00 0.00 C ATOM 988 O PRO A 69 -6.640 -2.000 -7.468 1.00 0.00 O ATOM 989 CB PRO A 69 -5.215 -1.700 -9.897 1.00 0.00 C ATOM 990 CG PRO A 69 -3.982 -2.202 -9.218 1.00 0.00 C ATOM 991 CD PRO A 69 -3.329 -1.019 -8.549 1.00 0.00 C ATOM 0 HA PRO A 69 -6.143 0.260 -9.681 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.987 -2.468 -9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.008 -1.410 -10.927 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -4.232 -2.969 -8.485 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.304 -2.659 -9.939 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.904 -1.291 -7.583 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.515 -0.618 -9.153 1.00 0.00 H new ATOM 999 N LYS A 70 -7.588 -0.029 -7.675 1.00 0.00 N ATOM 1000 CA LYS A 70 -8.599 -0.352 -6.626 1.00 0.00 C ATOM 1001 C LYS A 70 -10.011 -0.100 -7.152 1.00 0.00 C ATOM 1002 O LYS A 70 -10.756 -1.017 -7.425 1.00 0.00 O ATOM 1003 CB LYS A 70 -8.333 0.590 -5.432 1.00 0.00 C ATOM 1004 CG LYS A 70 -7.179 1.571 -5.709 1.00 0.00 C ATOM 1005 CD LYS A 70 -7.684 2.768 -6.523 1.00 0.00 C ATOM 1006 CE LYS A 70 -6.723 3.945 -6.351 1.00 0.00 C ATOM 1007 NZ LYS A 70 -7.306 5.039 -7.178 1.00 0.00 N ATOM 0 H LYS A 70 -7.672 0.900 -8.088 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.520 -1.400 -6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.239 1.152 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.098 -0.004 -4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.752 1.917 -4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.383 1.063 -6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.761 2.498 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.684 3.050 -6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.643 4.240 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.719 3.688 -6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.574 5.751 -7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.661 4.646 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.090 5.485 -6.661 1.00 0.00 H new ATOM 1021 N GLN A 71 -10.386 1.146 -7.272 1.00 0.00 N ATOM 1022 CA GLN A 71 -11.755 1.477 -7.755 1.00 0.00 C ATOM 1023 C GLN A 71 -11.836 1.385 -9.284 1.00 0.00 C ATOM 1024 O GLN A 71 -12.402 2.242 -9.934 1.00 0.00 O ATOM 1025 CB GLN A 71 -11.992 2.917 -7.296 1.00 0.00 C ATOM 1026 CG GLN A 71 -11.088 3.863 -8.089 1.00 0.00 C ATOM 1027 CD GLN A 71 -10.690 5.048 -7.207 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -10.274 4.828 -5.990 1.00 0.00 O flip ATOM 1029 NE2 GLN A 71 -10.758 6.185 -7.629 1.00 0.00 N flip ATOM 0 H GLN A 71 -9.799 1.951 -7.055 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.502 0.786 -7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.037 3.189 -7.442 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.785 3.008 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.198 3.333 -8.428 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.607 4.217 -8.980 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.083 6.357 -8.580 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.490 6.967 -7.032 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.059 -3.873 3.008 1.00 0.00 N ATOM 1105 CA ARG B 2 -8.695 -3.578 2.481 1.00 0.00 C ATOM 1106 C ARG B 2 -8.761 -2.768 1.194 1.00 0.00 C ATOM 1107 O ARG B 2 -9.749 -2.765 0.487 1.00 0.00 O ATOM 1108 CB ARG B 2 -8.073 -4.946 2.165 1.00 0.00 C ATOM 1109 CG ARG B 2 -6.781 -5.119 2.967 1.00 0.00 C ATOM 1110 CD ARG B 2 -7.098 -5.109 4.463 1.00 0.00 C ATOM 1111 NE ARG B 2 -8.198 -6.099 4.629 1.00 0.00 N ATOM 1112 CZ ARG B 2 -7.917 -7.350 4.867 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -7.254 -7.676 5.943 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -8.301 -8.275 4.031 1.00 0.00 N ATOM 0 HA ARG B 2 -8.121 -3.000 3.206 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -8.776 -5.742 2.412 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -7.864 -5.024 1.098 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.295 -6.056 2.695 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -6.083 -4.317 2.728 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.225 -5.386 5.054 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -7.406 -4.117 4.795 1.00 0.00 H new ATOM 0 HE ARG B 2 -9.170 -5.799 4.557 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -6.956 -6.952 6.597 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -7.034 -8.654 6.130 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.821 -8.020 3.191 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.081 -9.254 4.217 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.670 -2.155 0.851 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.593 -1.419 -0.436 1.00 0.00 C ATOM 1130 C TYR B 3 -6.895 -2.387 -1.354 1.00 0.00 C ATOM 1131 O TYR B 3 -5.872 -2.106 -1.945 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.724 -0.173 -0.215 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.772 0.250 1.230 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -5.900 -0.340 2.148 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -7.680 1.227 1.647 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -5.936 0.045 3.492 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -7.717 1.615 2.990 1.00 0.00 C ATOM 1138 CZ TYR B 3 -6.844 1.023 3.914 1.00 0.00 C ATOM 1139 OH TYR B 3 -6.880 1.401 5.240 1.00 0.00 O ATOM 0 H TYR B 3 -6.819 -2.131 1.412 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.556 -1.097 -0.831 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.695 -0.383 -0.505 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -7.074 0.640 -0.851 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -5.199 -1.093 1.820 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -8.352 1.681 0.934 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -5.264 -0.412 4.203 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.417 2.370 3.315 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.988 1.299 5.634 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.428 -3.566 -1.405 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.802 -4.633 -2.199 1.00 0.00 C ATOM 1151 C TYR B 4 -6.836 -4.295 -3.671 1.00 0.00 C ATOM 1152 O TYR B 4 -7.220 -3.219 -4.085 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.686 -5.856 -1.962 1.00 0.00 C ATOM 1154 CG TYR B 4 -6.944 -6.920 -1.196 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.253 -6.596 -0.025 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -6.966 -8.242 -1.655 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -5.580 -7.595 0.687 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -6.293 -9.241 -0.945 1.00 0.00 C ATOM 1159 CZ TYR B 4 -5.599 -8.918 0.226 1.00 0.00 C ATOM 1160 OH TYR B 4 -4.935 -9.904 0.926 1.00 0.00 O ATOM 0 H TYR B 4 -8.284 -3.835 -0.921 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.760 -4.784 -1.916 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.579 -5.562 -1.410 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -8.020 -6.258 -2.918 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -6.239 -5.576 0.330 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -7.503 -8.491 -2.558 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -5.046 -7.346 1.592 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -6.309 -10.261 -1.300 1.00 0.00 H new ATOM 0 HH TYR B 4 -5.051 -10.764 0.470 1.00 0.00 H new ATOM 1170 N GLU B 5 -6.446 -5.235 -4.451 1.00 0.00 N ATOM 1171 CA GLU B 5 -6.447 -5.039 -5.927 1.00 0.00 C ATOM 1172 C GLU B 5 -7.868 -5.223 -6.465 1.00 0.00 C ATOM 1173 O GLU B 5 -8.188 -6.231 -7.063 1.00 0.00 O ATOM 1174 CB GLU B 5 -5.515 -6.121 -6.475 1.00 0.00 C ATOM 1175 CG GLU B 5 -6.107 -7.503 -6.191 1.00 0.00 C ATOM 1176 CD GLU B 5 -6.269 -8.268 -7.506 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -7.058 -7.833 -8.328 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -5.600 -9.275 -7.668 1.00 0.00 O ATOM 0 H GLU B 5 -6.119 -6.149 -4.138 1.00 0.00 H new ATOM 0 HA GLU B 5 -6.116 -4.042 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -5.378 -5.987 -7.548 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.531 -6.034 -6.014 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -5.457 -8.057 -5.513 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -7.072 -7.402 -5.695 1.00 0.00 H new ATOM 1185 N SER B 6 -8.729 -4.262 -6.253 1.00 0.00 N ATOM 1186 CA SER B 6 -10.129 -4.406 -6.758 1.00 0.00 C ATOM 1187 C SER B 6 -11.049 -3.273 -6.268 1.00 0.00 C ATOM 1188 O SER B 6 -12.149 -3.120 -6.760 1.00 0.00 O ATOM 1189 CB SER B 6 -10.607 -5.746 -6.200 1.00 0.00 C ATOM 1190 OG SER B 6 -12.001 -5.671 -5.932 1.00 0.00 O ATOM 0 H SER B 6 -8.528 -3.393 -5.758 1.00 0.00 H new ATOM 0 HA SER B 6 -10.157 -4.358 -7.847 1.00 0.00 H new ATOM 0 HB2 SER B 6 -10.404 -6.544 -6.914 1.00 0.00 H new ATOM 0 HB3 SER B 6 -10.062 -5.989 -5.288 1.00 0.00 H new ATOM 0 HG SER B 6 -12.312 -6.529 -5.575 1.00 0.00 H new ATOM 1196 N SER B 7 -10.635 -2.477 -5.312 1.00 0.00 N ATOM 1197 CA SER B 7 -11.535 -1.376 -4.835 1.00 0.00 C ATOM 1198 C SER B 7 -10.972 -0.699 -3.580 1.00 0.00 C ATOM 1199 O SER B 7 -9.986 -1.129 -3.015 1.00 0.00 O ATOM 1200 CB SER B 7 -12.863 -2.063 -4.513 1.00 0.00 C ATOM 1201 OG SER B 7 -13.757 -1.890 -5.604 1.00 0.00 O ATOM 0 H SER B 7 -9.729 -2.538 -4.847 1.00 0.00 H new ATOM 0 HA SER B 7 -11.640 -0.593 -5.586 1.00 0.00 H new ATOM 0 HB2 SER B 7 -12.701 -3.124 -4.326 1.00 0.00 H new ATOM 0 HB3 SER B 7 -13.293 -1.641 -3.605 1.00 0.00 H new ATOM 0 HG SER B 7 -13.437 -2.406 -6.374 1.00 0.00 H new ATOM 1207 N LEU B 8 -11.603 0.361 -3.141 1.00 0.00 N ATOM 1208 CA LEU B 8 -11.123 1.076 -1.921 1.00 0.00 C ATOM 1209 C LEU B 8 -12.132 0.908 -0.785 1.00 0.00 C ATOM 1210 O LEU B 8 -11.818 1.098 0.373 1.00 0.00 O ATOM 1211 CB LEU B 8 -11.035 2.550 -2.324 1.00 0.00 C ATOM 1212 CG LEU B 8 -9.904 2.750 -3.333 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -9.579 4.239 -3.439 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -8.659 1.992 -2.868 1.00 0.00 C ATOM 0 H LEU B 8 -12.433 0.763 -3.577 1.00 0.00 H new ATOM 0 HA LEU B 8 -10.166 0.688 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -11.981 2.874 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -10.860 3.167 -1.442 1.00 0.00 H new ATOM 0 HG LEU B 8 -10.216 2.371 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -8.773 4.385 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.464 4.782 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.268 4.614 -2.464 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.855 2.136 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -8.346 2.369 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -8.889 0.929 -2.788 1.00 0.00 H new