USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=30 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 1 MET N :NH3+ 175:sc= 0.926 (180deg=0.766) USER MOD Set 1.2: B 4 TYR OH : rot 0:sc= -1.01! USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 LYS NZ :NH3+ -177:sc= 0.52 (180deg=0.417) USER MOD Set 3.1: A 5 THR OG1 : rot -30:sc= 1.63 USER MOD Set 3.2: A 8 THR OG1 : rot 51:sc= 0.839 USER MOD Single : A 1 ILE N :NH3+ 144:sc= -1.58! (180deg=-2.39!) USER MOD Single : A 4 HIS : no HD1:sc= -17.3! C(o=-17!,f=-19!) USER MOD Single : A 6 THR OG1 : rot -36:sc= -10.5! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -91:sc= 0.174 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.944 F(o=-4.8!,f=-0.94) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 129:sc= -0.16 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.00725) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0025 USER MOD Single : A 50 SER OG : rot 180:sc= -0.482 USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.143) 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= -0.0225! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -7.96! C(o=-8!,f=-12!) USER MOD Single : A 68 HIS : no HD1:sc= -15.6! C(o=-16!,f=-15!) USER MOD Single : A 70 LYS NZ :NH3+ -129:sc= -3.27! (180deg=-5.38!) USER MOD Single : A 71 GLN :FLIP amide:sc= -5.64! C(o=-7.6!,f=-5.6!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 TYR OH : rot 120:sc= -1.19 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 7 SER OG : rot 180:sc= -0.48! USER MOD Single : B 9 LYS NZ :NH3+ -179:sc= 0 (180deg=-5.55e-05) USER MOD Single : B 10 SER OG : rot -128:sc= 1.42 USER MOD Single : B 11 TYR OH : rot 110:sc= -6.45! USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 8.571 13.777 2.030 1.00 0.00 N ATOM 2 CA ILE A 1 7.179 14.020 1.554 1.00 0.00 C ATOM 3 C ILE A 1 6.199 13.108 2.297 1.00 0.00 C ATOM 4 O ILE A 1 6.593 12.242 3.053 1.00 0.00 O ATOM 5 CB ILE A 1 7.206 13.678 0.064 1.00 0.00 C ATOM 6 CG1 ILE A 1 7.788 12.276 -0.126 1.00 0.00 C ATOM 7 CG2 ILE A 1 8.075 14.693 -0.681 1.00 0.00 C ATOM 8 CD1 ILE A 1 7.700 11.883 -1.601 1.00 0.00 C ATOM 0 H1 ILE A 1 9.232 13.868 1.232 1.00 0.00 H new ATOM 0 H2 ILE A 1 8.814 14.475 2.762 1.00 0.00 H new ATOM 0 H3 ILE A 1 8.639 12.819 2.429 1.00 0.00 H new ATOM 0 HA ILE A 1 6.854 15.045 1.731 1.00 0.00 H new ATOM 0 HB ILE A 1 6.191 13.710 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 1 8.826 12.253 0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 1 7.242 11.558 0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 1 8.093 14.447 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 1 7.662 15.693 -0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 1 9.090 14.663 -0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 1 8.115 10.884 -1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 1 6.657 11.889 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.266 12.595 -2.202 1.00 0.00 H new ATOM 22 N VAL A 2 4.925 13.297 2.088 1.00 0.00 N ATOM 23 CA VAL A 2 3.917 12.442 2.782 1.00 0.00 C ATOM 24 C VAL A 2 3.620 11.198 1.949 1.00 0.00 C ATOM 25 O VAL A 2 3.791 11.187 0.747 1.00 0.00 O ATOM 26 CB VAL A 2 2.664 13.305 2.885 1.00 0.00 C ATOM 27 CG1 VAL A 2 1.708 12.713 3.917 1.00 0.00 C ATOM 28 CG2 VAL A 2 3.051 14.721 3.309 1.00 0.00 C ATOM 0 H VAL A 2 4.537 14.007 1.467 1.00 0.00 H new ATOM 0 HA VAL A 2 4.270 12.107 3.757 1.00 0.00 H new ATOM 0 HB VAL A 2 2.172 13.335 1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.815 13.335 3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.425 11.705 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.199 12.676 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.155 15.337 3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.548 14.687 4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.727 15.150 2.569 1.00 0.00 H new ATOM 38 N CYS A 3 3.178 10.152 2.580 1.00 0.00 N ATOM 39 CA CYS A 3 2.870 8.907 1.828 1.00 0.00 C ATOM 40 C CYS A 3 1.604 8.253 2.375 1.00 0.00 C ATOM 41 O CYS A 3 1.204 8.507 3.489 1.00 0.00 O ATOM 42 CB CYS A 3 4.067 8.005 2.057 1.00 0.00 C ATOM 43 SG CYS A 3 5.595 8.958 1.878 1.00 0.00 S ATOM 0 H CYS A 3 3.016 10.104 3.586 1.00 0.00 H new ATOM 0 HA CYS A 3 2.696 9.101 0.770 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.017 7.564 3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.055 7.181 1.343 1.00 0.00 H new ATOM 48 N HIS A 4 0.979 7.397 1.610 1.00 0.00 N ATOM 49 CA HIS A 4 -0.263 6.738 2.113 1.00 0.00 C ATOM 50 C HIS A 4 0.084 5.499 2.926 1.00 0.00 C ATOM 51 O HIS A 4 1.095 4.867 2.709 1.00 0.00 O ATOM 52 CB HIS A 4 -1.061 6.358 0.885 1.00 0.00 C ATOM 53 CG HIS A 4 -1.115 7.522 -0.071 1.00 0.00 C ATOM 54 ND1 HIS A 4 -1.383 8.810 0.360 1.00 0.00 N ATOM 55 CD2 HIS A 4 -0.950 7.612 -1.432 1.00 0.00 C ATOM 56 CE1 HIS A 4 -1.371 9.612 -0.719 1.00 0.00 C ATOM 57 NE2 HIS A 4 -1.112 8.933 -1.838 1.00 0.00 N ATOM 0 H HIS A 4 1.270 7.128 0.670 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.829 7.402 2.766 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.606 5.496 0.397 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.071 6.065 1.173 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.728 6.783 -2.088 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -1.549 10.677 -0.684 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.047 9.303 -2.786 1.00 0.00 H new ATOM 65 N THR A 5 -0.740 5.148 3.870 1.00 0.00 N ATOM 66 CA THR A 5 -0.434 3.956 4.703 1.00 0.00 C ATOM 67 C THR A 5 -1.637 3.016 4.772 1.00 0.00 C ATOM 68 O THR A 5 -2.674 3.346 5.313 1.00 0.00 O ATOM 69 CB THR A 5 -0.125 4.493 6.101 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.286 4.387 6.910 1.00 0.00 O ATOM 71 CG2 THR A 5 0.337 5.955 6.048 1.00 0.00 C ATOM 0 H THR A 5 -1.608 5.632 4.100 1.00 0.00 H new ATOM 0 HA THR A 5 0.398 3.390 4.284 1.00 0.00 H new ATOM 0 HB THR A 5 0.684 3.900 6.527 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.085 4.462 6.347 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.549 6.307 7.058 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.239 6.030 5.441 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.448 6.569 5.607 1.00 0.00 H new ATOM 79 N THR A 6 -1.486 1.841 4.257 1.00 0.00 N ATOM 80 CA THR A 6 -2.584 0.840 4.314 1.00 0.00 C ATOM 81 C THR A 6 -2.416 -0.013 5.574 1.00 0.00 C ATOM 82 O THR A 6 -3.279 -0.784 5.944 1.00 0.00 O ATOM 83 CB THR A 6 -2.328 -0.037 3.101 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.157 -0.788 3.355 1.00 0.00 O ATOM 85 CG2 THR A 6 -2.135 0.840 1.863 1.00 0.00 C ATOM 0 H THR A 6 -0.638 1.521 3.790 1.00 0.00 H new ATOM 0 HA THR A 6 -3.576 1.290 4.328 1.00 0.00 H new ATOM 0 HB THR A 6 -3.172 -0.703 2.920 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.520 -0.240 3.860 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.951 0.208 0.994 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.032 1.435 1.695 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.283 1.503 2.016 1.00 0.00 H new ATOM 93 N ALA A 7 -1.265 0.077 6.185 1.00 0.00 N ATOM 94 CA ALA A 7 -0.962 -0.769 7.372 1.00 0.00 C ATOM 95 C ALA A 7 -1.361 -0.116 8.701 1.00 0.00 C ATOM 96 O ALA A 7 -1.839 -0.782 9.598 1.00 0.00 O ATOM 97 CB ALA A 7 0.549 -0.970 7.291 1.00 0.00 C ATOM 0 H ALA A 7 -0.514 0.709 5.907 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.530 -1.699 7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.879 -1.586 8.127 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.800 -1.466 6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.048 -0.002 7.334 1.00 0.00 H new ATOM 103 N THR A 8 -1.179 1.163 8.853 1.00 0.00 N ATOM 104 CA THR A 8 -1.566 1.801 10.145 1.00 0.00 C ATOM 105 C THR A 8 -2.948 2.430 9.988 1.00 0.00 C ATOM 106 O THR A 8 -3.945 1.736 9.960 1.00 0.00 O ATOM 107 CB THR A 8 -0.495 2.862 10.409 1.00 0.00 C ATOM 108 OG1 THR A 8 -0.026 3.378 9.172 1.00 0.00 O ATOM 109 CG2 THR A 8 0.668 2.232 11.177 1.00 0.00 C ATOM 0 H THR A 8 -0.785 1.790 8.151 1.00 0.00 H new ATOM 0 HA THR A 8 -1.622 1.096 10.974 1.00 0.00 H new ATOM 0 HB THR A 8 -0.922 3.672 11.000 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.789 3.653 8.622 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.431 2.987 11.365 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.306 1.837 12.126 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.097 1.422 10.587 1.00 0.00 H new ATOM 117 N SER A 9 -3.034 3.721 9.846 1.00 0.00 N ATOM 118 CA SER A 9 -4.374 4.327 9.649 1.00 0.00 C ATOM 119 C SER A 9 -4.867 3.905 8.268 1.00 0.00 C ATOM 120 O SER A 9 -4.118 3.324 7.508 1.00 0.00 O ATOM 121 CB SER A 9 -4.150 5.837 9.712 1.00 0.00 C ATOM 122 OG SER A 9 -4.292 6.278 11.056 1.00 0.00 O ATOM 0 H SER A 9 -2.249 4.372 9.858 1.00 0.00 H new ATOM 0 HA SER A 9 -5.111 4.019 10.391 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.156 6.085 9.339 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.868 6.350 9.071 1.00 0.00 H new ATOM 0 HG SER A 9 -4.147 7.246 11.100 1.00 0.00 H new ATOM 128 N PRO A 10 -6.096 4.199 7.969 1.00 0.00 N ATOM 129 CA PRO A 10 -6.633 3.821 6.648 1.00 0.00 C ATOM 130 C PRO A 10 -5.929 4.605 5.557 1.00 0.00 C ATOM 131 O PRO A 10 -5.503 5.724 5.765 1.00 0.00 O ATOM 132 CB PRO A 10 -8.107 4.177 6.732 1.00 0.00 C ATOM 133 CG PRO A 10 -8.188 5.215 7.808 1.00 0.00 C ATOM 134 CD PRO A 10 -7.085 4.902 8.790 1.00 0.00 C ATOM 0 HA PRO A 10 -6.484 2.769 6.406 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.476 4.563 5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.712 3.304 6.978 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.065 6.215 7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.162 5.191 8.298 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.670 5.808 9.232 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.441 4.281 9.611 1.00 0.00 H new ATOM 142 N ILE A 11 -5.789 4.006 4.407 1.00 0.00 N ATOM 143 CA ILE A 11 -5.098 4.676 3.273 1.00 0.00 C ATOM 144 C ILE A 11 -5.275 6.189 3.351 1.00 0.00 C ATOM 145 O ILE A 11 -6.338 6.736 3.133 1.00 0.00 O ATOM 146 CB ILE A 11 -5.697 4.060 1.998 1.00 0.00 C ATOM 147 CG1 ILE A 11 -4.545 3.439 1.200 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.418 5.118 1.153 1.00 0.00 C ATOM 149 CD1 ILE A 11 -4.917 3.322 -0.283 1.00 0.00 C ATOM 0 H ILE A 11 -6.130 3.066 4.203 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.019 4.519 3.290 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.437 3.305 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.649 4.050 1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.308 2.453 1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.830 4.650 0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.225 5.561 1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.711 5.895 0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.086 2.879 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.799 2.691 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.130 4.313 -0.684 1.00 0.00 H new ATOM 161 N SER A 12 -4.215 6.844 3.682 1.00 0.00 N ATOM 162 CA SER A 12 -4.225 8.319 3.815 1.00 0.00 C ATOM 163 C SER A 12 -2.779 8.783 3.803 1.00 0.00 C ATOM 164 O SER A 12 -1.903 8.091 4.290 1.00 0.00 O ATOM 165 CB SER A 12 -4.882 8.601 5.166 1.00 0.00 C ATOM 166 OG SER A 12 -3.994 8.221 6.208 1.00 0.00 O ATOM 0 H SER A 12 -3.312 6.409 3.873 1.00 0.00 H new ATOM 0 HA SER A 12 -4.762 8.832 3.017 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.128 9.660 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.818 8.049 5.251 1.00 0.00 H new ATOM 0 HG SER A 12 -4.164 7.289 6.459 1.00 0.00 H new ATOM 172 N ALA A 13 -2.506 9.915 3.227 1.00 0.00 N ATOM 173 CA ALA A 13 -1.095 10.367 3.165 1.00 0.00 C ATOM 174 C ALA A 13 -0.689 11.161 4.394 1.00 0.00 C ATOM 175 O ALA A 13 -1.093 12.292 4.581 1.00 0.00 O ATOM 176 CB ALA A 13 -1.005 11.254 1.940 1.00 0.00 C ATOM 0 H ALA A 13 -3.190 10.540 2.801 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.427 9.507 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.015 11.624 1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.277 10.680 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.687 12.097 2.050 1.00 0.00 H new ATOM 182 N VAL A 14 0.150 10.599 5.207 1.00 0.00 N ATOM 183 CA VAL A 14 0.629 11.346 6.390 1.00 0.00 C ATOM 184 C VAL A 14 2.147 11.405 6.337 1.00 0.00 C ATOM 185 O VAL A 14 2.812 10.481 5.901 1.00 0.00 O ATOM 186 CB VAL A 14 0.143 10.596 7.646 1.00 0.00 C ATOM 187 CG1 VAL A 14 -1.124 9.814 7.326 1.00 0.00 C ATOM 188 CG2 VAL A 14 1.228 9.636 8.151 1.00 0.00 C ATOM 0 H VAL A 14 0.524 9.656 5.103 1.00 0.00 H new ATOM 0 HA VAL A 14 0.244 12.366 6.411 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.070 11.327 8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.461 9.287 8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.902 10.502 6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.917 9.093 6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.868 9.115 9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.462 8.909 7.373 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.126 10.201 8.401 1.00 0.00 H new ATOM 198 N THR A 15 2.685 12.486 6.767 1.00 0.00 N ATOM 199 CA THR A 15 4.162 12.638 6.760 1.00 0.00 C ATOM 200 C THR A 15 4.790 11.626 7.724 1.00 0.00 C ATOM 201 O THR A 15 4.268 11.370 8.791 1.00 0.00 O ATOM 202 CB THR A 15 4.402 14.056 7.255 1.00 0.00 C ATOM 203 OG1 THR A 15 3.437 14.926 6.678 1.00 0.00 O ATOM 204 CG2 THR A 15 5.806 14.504 6.853 1.00 0.00 C ATOM 0 H THR A 15 2.169 13.287 7.130 1.00 0.00 H new ATOM 0 HA THR A 15 4.600 12.464 5.777 1.00 0.00 H new ATOM 0 HB THR A 15 4.312 14.086 8.341 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.589 15.840 6.997 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.979 15.520 7.207 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.543 13.835 7.297 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.900 14.477 5.767 1.00 0.00 H new ATOM 212 N CYS A 16 5.902 11.048 7.364 1.00 0.00 N ATOM 213 CA CYS A 16 6.547 10.054 8.273 1.00 0.00 C ATOM 214 C CYS A 16 7.618 10.733 9.136 1.00 0.00 C ATOM 215 O CYS A 16 7.824 11.927 9.043 1.00 0.00 O ATOM 216 CB CYS A 16 7.171 9.014 7.344 1.00 0.00 C ATOM 217 SG CYS A 16 6.348 7.421 7.595 1.00 0.00 S ATOM 0 H CYS A 16 6.391 11.218 6.485 1.00 0.00 H new ATOM 0 HA CYS A 16 5.835 9.603 8.964 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.070 9.329 6.306 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.238 8.922 7.547 1.00 0.00 H new ATOM 222 N PRO A 17 8.261 9.943 9.957 1.00 0.00 N ATOM 223 CA PRO A 17 9.317 10.472 10.856 1.00 0.00 C ATOM 224 C PRO A 17 10.579 10.826 10.062 1.00 0.00 C ATOM 225 O PRO A 17 10.654 10.583 8.874 1.00 0.00 O ATOM 226 CB PRO A 17 9.579 9.317 11.819 1.00 0.00 C ATOM 227 CG PRO A 17 9.157 8.088 11.081 1.00 0.00 C ATOM 228 CD PRO A 17 8.069 8.497 10.121 1.00 0.00 C ATOM 0 HA PRO A 17 9.022 11.388 11.368 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.632 9.267 12.097 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.011 9.437 12.742 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.000 7.653 10.544 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.794 7.329 11.774 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.159 7.973 9.170 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.080 8.269 10.519 1.00 0.00 H new ATOM 236 N PRO A 18 11.529 11.398 10.755 1.00 0.00 N ATOM 237 CA PRO A 18 12.807 11.802 10.115 1.00 0.00 C ATOM 238 C PRO A 18 13.627 10.574 9.707 1.00 0.00 C ATOM 239 O PRO A 18 14.388 10.034 10.485 1.00 0.00 O ATOM 240 CB PRO A 18 13.518 12.597 11.209 1.00 0.00 C ATOM 241 CG PRO A 18 12.932 12.093 12.488 1.00 0.00 C ATOM 242 CD PRO A 18 11.506 11.718 12.187 1.00 0.00 C ATOM 0 HA PRO A 18 12.661 12.377 9.200 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.596 12.437 11.177 1.00 0.00 H new ATOM 0 HB3 PRO A 18 13.351 13.668 11.092 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.490 11.232 12.857 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.976 12.858 13.263 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.181 10.865 12.783 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.821 12.538 12.404 1.00 0.00 H new ATOM 250 N GLY A 19 13.479 10.138 8.487 1.00 0.00 N ATOM 251 CA GLY A 19 14.248 8.953 8.011 1.00 0.00 C ATOM 252 C GLY A 19 13.865 8.662 6.566 1.00 0.00 C ATOM 253 O GLY A 19 14.711 8.545 5.705 1.00 0.00 O ATOM 0 H GLY A 19 12.855 10.554 7.795 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.319 9.144 8.086 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.034 8.088 8.639 1.00 0.00 H new ATOM 257 N GLU A 20 12.594 8.550 6.290 1.00 0.00 N ATOM 258 CA GLU A 20 12.161 8.277 4.906 1.00 0.00 C ATOM 259 C GLU A 20 12.446 9.501 4.033 1.00 0.00 C ATOM 260 O GLU A 20 12.332 10.631 4.466 1.00 0.00 O ATOM 261 CB GLU A 20 10.652 8.021 5.021 1.00 0.00 C ATOM 262 CG GLU A 20 9.942 8.523 3.762 1.00 0.00 C ATOM 263 CD GLU A 20 9.634 10.014 3.909 1.00 0.00 C ATOM 264 OE1 GLU A 20 9.848 10.540 4.989 1.00 0.00 O ATOM 265 OE2 GLU A 20 9.188 10.605 2.939 1.00 0.00 O ATOM 0 H GLU A 20 11.840 8.637 6.972 1.00 0.00 H new ATOM 0 HA GLU A 20 12.680 7.434 4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.464 6.956 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.254 8.528 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.569 8.355 2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.019 7.964 3.605 1.00 0.00 H new ATOM 272 N ASN A 21 12.798 9.278 2.806 1.00 0.00 N ATOM 273 CA ASN A 21 13.073 10.405 1.891 1.00 0.00 C ATOM 274 C ASN A 21 12.021 10.392 0.779 1.00 0.00 C ATOM 275 O ASN A 21 11.857 11.343 0.042 1.00 0.00 O ATOM 276 CB ASN A 21 14.477 10.125 1.361 1.00 0.00 C ATOM 277 CG ASN A 21 15.496 10.417 2.468 1.00 0.00 C ATOM 278 OD1 ASN A 21 15.427 9.751 3.589 1.00 0.00 O flip ATOM 279 ND2 ASN A 21 16.360 11.258 2.311 1.00 0.00 N flip ATOM 0 H ASN A 21 12.908 8.351 2.394 1.00 0.00 H new ATOM 0 HA ASN A 21 13.025 11.388 2.359 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.558 9.087 1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.681 10.746 0.489 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.413 11.778 1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 21 17.032 11.444 3.055 1.00 0.00 H new ATOM 286 N LEU A 22 11.290 9.311 0.683 1.00 0.00 N ATOM 287 CA LEU A 22 10.218 9.201 -0.340 1.00 0.00 C ATOM 288 C LEU A 22 9.166 8.201 0.138 1.00 0.00 C ATOM 289 O LEU A 22 9.245 7.681 1.232 1.00 0.00 O ATOM 290 CB LEU A 22 10.905 8.688 -1.601 1.00 0.00 C ATOM 291 CG LEU A 22 11.375 7.249 -1.394 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.608 6.319 -2.339 1.00 0.00 C ATOM 293 CD2 LEU A 22 12.870 7.165 -1.704 1.00 0.00 C ATOM 0 H LEU A 22 11.395 8.491 1.280 1.00 0.00 H new ATOM 0 HA LEU A 22 9.717 10.152 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.217 8.736 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.755 9.325 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 22 11.192 6.947 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.944 5.293 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.541 6.386 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.793 6.616 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.215 6.141 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.045 7.464 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.418 7.830 -1.037 1.00 0.00 H new ATOM 305 N CYS A 23 8.187 7.926 -0.669 1.00 0.00 N ATOM 306 CA CYS A 23 7.137 6.958 -0.263 1.00 0.00 C ATOM 307 C CYS A 23 7.390 5.614 -0.938 1.00 0.00 C ATOM 308 O CYS A 23 8.306 5.468 -1.720 1.00 0.00 O ATOM 309 CB CYS A 23 5.849 7.578 -0.764 1.00 0.00 C ATOM 310 SG CYS A 23 5.714 9.256 -0.111 1.00 0.00 S ATOM 0 H CYS A 23 8.067 8.331 -1.597 1.00 0.00 H new ATOM 0 HA CYS A 23 7.114 6.773 0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.838 7.596 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.995 6.980 -0.447 1.00 0.00 H new ATOM 315 N TYR A 24 6.591 4.629 -0.656 1.00 0.00 N ATOM 316 CA TYR A 24 6.820 3.315 -1.294 1.00 0.00 C ATOM 317 C TYR A 24 5.534 2.513 -1.387 1.00 0.00 C ATOM 318 O TYR A 24 4.710 2.549 -0.510 1.00 0.00 O ATOM 319 CB TYR A 24 7.819 2.600 -0.391 1.00 0.00 C ATOM 320 CG TYR A 24 7.108 2.093 0.837 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.377 0.906 0.768 1.00 0.00 C ATOM 322 CD2 TYR A 24 7.172 2.809 2.033 1.00 0.00 C ATOM 323 CE1 TYR A 24 5.705 0.430 1.899 1.00 0.00 C ATOM 324 CE2 TYR A 24 6.503 2.337 3.169 1.00 0.00 C ATOM 325 CZ TYR A 24 5.768 1.145 3.102 1.00 0.00 C ATOM 326 OH TYR A 24 5.105 0.679 4.218 1.00 0.00 O ATOM 0 H TYR A 24 5.797 4.678 -0.017 1.00 0.00 H new ATOM 0 HA TYR A 24 7.187 3.430 -2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.281 1.770 -0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.621 3.281 -0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.330 0.354 -0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.738 3.728 2.083 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.138 -0.488 1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.553 2.890 4.095 1.00 0.00 H new ATOM 0 HH TYR A 24 5.253 1.293 4.967 1.00 0.00 H new ATOM 336 N ARG A 25 5.375 1.769 -2.435 1.00 0.00 N ATOM 337 CA ARG A 25 4.146 0.941 -2.571 1.00 0.00 C ATOM 338 C ARG A 25 4.507 -0.540 -2.397 1.00 0.00 C ATOM 339 O ARG A 25 5.260 -1.088 -3.174 1.00 0.00 O ATOM 340 CB ARG A 25 3.657 1.204 -3.996 1.00 0.00 C ATOM 341 CG ARG A 25 3.415 2.702 -4.188 1.00 0.00 C ATOM 342 CD ARG A 25 4.486 3.280 -5.116 1.00 0.00 C ATOM 343 NE ARG A 25 4.160 2.738 -6.464 1.00 0.00 N ATOM 344 CZ ARG A 25 3.623 3.513 -7.366 1.00 0.00 C ATOM 345 NH1 ARG A 25 2.492 4.114 -7.120 1.00 0.00 N ATOM 346 NH2 ARG A 25 4.218 3.687 -8.514 1.00 0.00 N ATOM 0 H ARG A 25 6.039 1.695 -3.206 1.00 0.00 H new ATOM 0 HA ARG A 25 3.387 1.183 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.395 0.850 -4.716 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.737 0.650 -4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.424 2.869 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.441 3.211 -3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.465 4.370 -5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.485 2.980 -4.801 1.00 0.00 H new ATOM 0 HE ARG A 25 4.356 1.761 -6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.027 3.978 -6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.072 4.720 -7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.103 3.217 -8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.798 4.293 -9.219 1.00 0.00 H new ATOM 360 N LYS A 26 3.987 -1.204 -1.398 1.00 0.00 N ATOM 361 CA LYS A 26 4.344 -2.637 -1.229 1.00 0.00 C ATOM 362 C LYS A 26 3.184 -3.534 -1.632 1.00 0.00 C ATOM 363 O LYS A 26 2.088 -3.088 -1.910 1.00 0.00 O ATOM 364 CB LYS A 26 4.685 -2.830 0.254 1.00 0.00 C ATOM 365 CG LYS A 26 6.140 -3.290 0.375 1.00 0.00 C ATOM 366 CD LYS A 26 6.918 -2.346 1.294 1.00 0.00 C ATOM 367 CE LYS A 26 6.339 -2.400 2.708 1.00 0.00 C ATOM 368 NZ LYS A 26 7.116 -1.392 3.482 1.00 0.00 N ATOM 0 H LYS A 26 3.343 -0.822 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 26 5.188 -2.905 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.539 -1.897 0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.018 -3.568 0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.176 -4.305 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.605 -3.314 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.971 -2.628 1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.867 -1.327 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.275 -2.163 2.708 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.444 -3.395 3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.811 -1.407 4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.130 -1.619 3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.951 -0.446 3.083 1.00 0.00 H new ATOM 382 N MET A 27 3.437 -4.803 -1.659 1.00 0.00 N ATOM 383 CA MET A 27 2.387 -5.783 -2.041 1.00 0.00 C ATOM 384 C MET A 27 2.729 -7.130 -1.479 1.00 0.00 C ATOM 385 O MET A 27 3.801 -7.663 -1.685 1.00 0.00 O ATOM 386 CB MET A 27 2.375 -5.810 -3.570 1.00 0.00 C ATOM 387 CG MET A 27 0.997 -5.387 -4.082 1.00 0.00 C ATOM 388 SD MET A 27 0.932 -5.594 -5.879 1.00 0.00 S ATOM 389 CE MET A 27 1.535 -3.946 -6.319 1.00 0.00 C ATOM 0 H MET A 27 4.342 -5.214 -1.429 1.00 0.00 H new ATOM 0 HA MET A 27 1.406 -5.511 -1.652 1.00 0.00 H new ATOM 0 HB2 MET A 27 3.140 -5.140 -3.961 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.615 -6.811 -3.928 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.221 -5.988 -3.608 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.802 -4.348 -3.818 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.576 -3.851 -7.404 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.860 -3.192 -5.914 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.533 -3.801 -5.904 1.00 0.00 H new ATOM 399 N TRP A 28 1.821 -7.675 -0.747 1.00 0.00 N ATOM 400 CA TRP A 28 2.083 -8.977 -0.143 1.00 0.00 C ATOM 401 C TRP A 28 0.803 -9.619 0.325 1.00 0.00 C ATOM 402 O TRP A 28 -0.280 -9.157 0.049 1.00 0.00 O ATOM 403 CB TRP A 28 2.980 -8.669 1.036 1.00 0.00 C ATOM 404 CG TRP A 28 2.343 -7.694 1.986 1.00 0.00 C ATOM 405 CD1 TRP A 28 1.029 -7.613 2.331 1.00 0.00 C ATOM 406 CD2 TRP A 28 3.016 -6.670 2.745 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.874 -6.578 3.241 1.00 0.00 N ATOM 408 CE2 TRP A 28 2.074 -5.973 3.528 1.00 0.00 C ATOM 409 CE3 TRP A 28 4.350 -6.290 2.812 1.00 0.00 C ATOM 410 CZ2 TRP A 28 2.452 -4.923 4.358 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.749 -5.234 3.647 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.799 -4.549 4.422 1.00 0.00 C ATOM 0 H TRP A 28 0.907 -7.270 -0.543 1.00 0.00 H new ATOM 0 HA TRP A 28 2.537 -9.674 -0.847 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.213 -9.593 1.566 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.925 -8.261 0.676 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.239 -8.248 1.958 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.020 -6.300 3.647 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.086 -6.811 2.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.713 -4.401 4.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.789 -4.948 3.693 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.107 -3.737 5.064 1.00 0.00 H new ATOM 423 N CYS A 29 0.929 -10.674 1.048 1.00 0.00 N ATOM 424 CA CYS A 29 -0.284 -11.371 1.556 1.00 0.00 C ATOM 425 C CYS A 29 -0.767 -10.715 2.851 1.00 0.00 C ATOM 426 O CYS A 29 0.016 -10.377 3.717 1.00 0.00 O ATOM 427 CB CYS A 29 0.166 -12.809 1.815 1.00 0.00 C ATOM 428 SG CYS A 29 -0.780 -13.938 0.764 1.00 0.00 S ATOM 0 H CYS A 29 1.818 -11.095 1.317 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.114 -11.326 0.851 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.231 -12.910 1.609 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.019 -13.064 2.865 1.00 0.00 H new ATOM 433 N ASP A 30 -2.050 -10.531 2.989 1.00 0.00 N ATOM 434 CA ASP A 30 -2.582 -9.894 4.231 1.00 0.00 C ATOM 435 C ASP A 30 -2.406 -10.838 5.424 1.00 0.00 C ATOM 436 O ASP A 30 -1.445 -11.577 5.502 1.00 0.00 O ATOM 437 CB ASP A 30 -4.065 -9.654 3.949 1.00 0.00 C ATOM 438 CG ASP A 30 -4.804 -10.993 3.923 1.00 0.00 C ATOM 439 OD1 ASP A 30 -4.406 -11.852 3.153 1.00 0.00 O ATOM 440 OD2 ASP A 30 -5.756 -11.137 4.673 1.00 0.00 O ATOM 0 H ASP A 30 -2.754 -10.793 2.299 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.061 -8.969 4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.491 -9.006 4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.186 -9.141 2.995 1.00 0.00 H new ATOM 445 N ALA A 31 -3.324 -10.817 6.354 1.00 0.00 N ATOM 446 CA ALA A 31 -3.204 -11.714 7.542 1.00 0.00 C ATOM 447 C ALA A 31 -2.726 -13.101 7.106 1.00 0.00 C ATOM 448 O ALA A 31 -1.578 -13.459 7.288 1.00 0.00 O ATOM 449 CB ALA A 31 -4.616 -11.791 8.124 1.00 0.00 C ATOM 0 H ALA A 31 -4.150 -10.219 6.343 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.484 -11.343 8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.612 -12.434 9.004 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.948 -10.792 8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.295 -12.202 7.377 1.00 0.00 H new ATOM 455 N PHE A 32 -3.594 -13.881 6.524 1.00 0.00 N ATOM 456 CA PHE A 32 -3.187 -15.241 6.067 1.00 0.00 C ATOM 457 C PHE A 32 -3.587 -15.434 4.603 1.00 0.00 C ATOM 458 O PHE A 32 -4.194 -16.422 4.238 1.00 0.00 O ATOM 459 CB PHE A 32 -3.948 -16.212 6.970 1.00 0.00 C ATOM 460 CG PHE A 32 -3.121 -16.508 8.199 1.00 0.00 C ATOM 461 CD1 PHE A 32 -3.010 -15.551 9.214 1.00 0.00 C ATOM 462 CD2 PHE A 32 -2.464 -17.738 8.322 1.00 0.00 C ATOM 463 CE1 PHE A 32 -2.243 -15.823 10.353 1.00 0.00 C ATOM 464 CE2 PHE A 32 -1.696 -18.011 9.461 1.00 0.00 C ATOM 465 CZ PHE A 32 -1.586 -17.053 10.476 1.00 0.00 C ATOM 0 H PHE A 32 -4.568 -13.636 6.345 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.110 -15.398 6.129 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.907 -15.782 7.259 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.162 -17.135 6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.516 -14.602 9.119 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.549 -18.476 7.539 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.158 -15.084 11.136 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.189 -18.960 9.556 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.994 -17.263 11.354 1.00 0.00 H new ATOM 475 N CYS A 33 -3.251 -14.493 3.762 1.00 0.00 N ATOM 476 CA CYS A 33 -3.610 -14.613 2.321 1.00 0.00 C ATOM 477 C CYS A 33 -5.122 -14.796 2.165 1.00 0.00 C ATOM 478 O CYS A 33 -5.655 -15.864 2.391 1.00 0.00 O ATOM 479 CB CYS A 33 -2.865 -15.851 1.827 1.00 0.00 C ATOM 480 SG CYS A 33 -1.081 -15.561 1.927 1.00 0.00 S ATOM 0 H CYS A 33 -2.742 -13.645 4.012 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.339 -13.723 1.753 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.138 -16.717 2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.151 -16.075 0.799 1.00 0.00 H new ATOM 485 N SER A 34 -5.815 -13.760 1.778 1.00 0.00 N ATOM 486 CA SER A 34 -7.291 -13.872 1.606 1.00 0.00 C ATOM 487 C SER A 34 -7.629 -14.151 0.140 1.00 0.00 C ATOM 488 O SER A 34 -6.757 -14.235 -0.702 1.00 0.00 O ATOM 489 CB SER A 34 -7.842 -12.513 2.035 1.00 0.00 C ATOM 490 OG SER A 34 -7.468 -12.259 3.383 1.00 0.00 O ATOM 0 H SER A 34 -5.423 -12.841 1.574 1.00 0.00 H new ATOM 0 HA SER A 34 -7.717 -14.687 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.455 -11.729 1.384 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.928 -12.501 1.938 1.00 0.00 H new ATOM 0 HG SER A 34 -7.052 -11.374 3.446 1.00 0.00 H new ATOM 496 N SER A 35 -8.887 -14.294 -0.173 1.00 0.00 N ATOM 497 CA SER A 35 -9.275 -14.566 -1.586 1.00 0.00 C ATOM 498 C SER A 35 -9.413 -13.251 -2.358 1.00 0.00 C ATOM 499 O SER A 35 -9.988 -13.205 -3.428 1.00 0.00 O ATOM 500 CB SER A 35 -10.622 -15.281 -1.497 1.00 0.00 C ATOM 501 OG SER A 35 -10.410 -16.687 -1.516 1.00 0.00 O ATOM 0 H SER A 35 -9.662 -14.234 0.487 1.00 0.00 H new ATOM 0 HA SER A 35 -8.531 -15.165 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.140 -14.992 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.259 -14.986 -2.331 1.00 0.00 H new ATOM 0 HG SER A 35 -11.272 -17.149 -1.457 1.00 0.00 H new ATOM 507 N ARG A 36 -8.890 -12.181 -1.824 1.00 0.00 N ATOM 508 CA ARG A 36 -8.992 -10.870 -2.528 1.00 0.00 C ATOM 509 C ARG A 36 -7.615 -10.432 -3.037 1.00 0.00 C ATOM 510 O ARG A 36 -7.356 -9.260 -3.223 1.00 0.00 O ATOM 511 CB ARG A 36 -9.510 -9.892 -1.473 1.00 0.00 C ATOM 512 CG ARG A 36 -11.002 -9.639 -1.701 1.00 0.00 C ATOM 513 CD ARG A 36 -11.819 -10.706 -0.968 1.00 0.00 C ATOM 514 NE ARG A 36 -12.578 -9.960 0.073 1.00 0.00 N ATOM 515 CZ ARG A 36 -13.732 -9.424 -0.219 1.00 0.00 C ATOM 516 NH1 ARG A 36 -13.782 -8.265 -0.816 1.00 0.00 N ATOM 517 NH2 ARG A 36 -14.836 -10.049 0.086 1.00 0.00 N ATOM 0 H ARG A 36 -8.397 -12.157 -0.931 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.649 -10.919 -3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.347 -10.298 -0.474 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.958 -8.954 -1.529 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.273 -8.647 -1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.227 -9.662 -2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.491 -11.226 -1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.172 -11.461 -0.520 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.196 -9.868 1.014 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.919 -7.777 -1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.684 -7.847 -1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.797 -10.955 0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.738 -9.631 -0.142 1.00 0.00 H new ATOM 531 N GLY A 37 -6.732 -11.365 -3.267 1.00 0.00 N ATOM 532 CA GLY A 37 -5.376 -11.000 -3.767 1.00 0.00 C ATOM 533 C GLY A 37 -4.397 -10.927 -2.593 1.00 0.00 C ATOM 534 O GLY A 37 -4.612 -11.524 -1.557 1.00 0.00 O ATOM 0 H GLY A 37 -6.891 -12.363 -3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.034 -11.738 -4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.414 -10.040 -4.282 1.00 0.00 H new ATOM 538 N LYS A 38 -3.333 -10.183 -2.737 1.00 0.00 N ATOM 539 CA LYS A 38 -2.359 -10.058 -1.618 1.00 0.00 C ATOM 540 C LYS A 38 -2.742 -8.820 -0.800 1.00 0.00 C ATOM 541 O LYS A 38 -3.724 -8.814 -0.086 1.00 0.00 O ATOM 542 CB LYS A 38 -0.964 -9.909 -2.273 1.00 0.00 C ATOM 543 CG LYS A 38 -0.878 -10.662 -3.589 1.00 0.00 C ATOM 544 CD LYS A 38 -1.566 -12.024 -3.460 1.00 0.00 C ATOM 545 CE LYS A 38 -0.613 -13.125 -3.928 1.00 0.00 C ATOM 546 NZ LYS A 38 0.331 -13.325 -2.793 1.00 0.00 N ATOM 0 H LYS A 38 -3.098 -9.658 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.356 -10.917 -0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.753 -8.853 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.200 -10.281 -1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.350 -10.081 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.166 -10.798 -3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.859 -12.198 -2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.478 -12.040 -4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.153 -14.043 -4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.084 -12.830 -4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.307 -13.333 -3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.219 -12.551 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.126 -14.232 -2.327 1.00 0.00 H new ATOM 560 N VAL A 39 -1.995 -7.764 -0.938 1.00 0.00 N ATOM 561 CA VAL A 39 -2.297 -6.502 -0.240 1.00 0.00 C ATOM 562 C VAL A 39 -1.565 -5.398 -1.006 1.00 0.00 C ATOM 563 O VAL A 39 -0.628 -5.666 -1.729 1.00 0.00 O ATOM 564 CB VAL A 39 -1.735 -6.637 1.178 1.00 0.00 C ATOM 565 CG1 VAL A 39 -2.209 -5.458 2.023 1.00 0.00 C ATOM 566 CG2 VAL A 39 -2.228 -7.928 1.835 1.00 0.00 C ATOM 0 H VAL A 39 -1.162 -7.730 -1.526 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.362 -6.276 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.647 -6.656 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.811 -5.551 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.857 -4.527 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.298 -5.453 2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.817 -8.004 2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.317 -7.917 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.902 -8.784 1.244 1.00 0.00 H new ATOM 576 N VAL A 40 -1.934 -4.171 -0.836 1.00 0.00 N ATOM 577 CA VAL A 40 -1.202 -3.077 -1.527 1.00 0.00 C ATOM 578 C VAL A 40 -0.939 -2.065 -0.457 1.00 0.00 C ATOM 579 O VAL A 40 -1.742 -1.197 -0.180 1.00 0.00 O ATOM 580 CB VAL A 40 -2.112 -2.528 -2.625 1.00 0.00 C ATOM 581 CG1 VAL A 40 -1.762 -1.067 -2.913 1.00 0.00 C ATOM 582 CG2 VAL A 40 -1.889 -3.336 -3.905 1.00 0.00 C ATOM 0 H VAL A 40 -2.712 -3.872 -0.248 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.269 -3.384 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.149 -2.600 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.416 -0.684 -3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.896 -0.475 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.725 -0.999 -3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.534 -2.952 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.847 -3.249 -4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.127 -4.384 -3.720 1.00 0.00 H new ATOM 592 N GLU A 41 0.141 -2.228 0.206 1.00 0.00 N ATOM 593 CA GLU A 41 0.416 -1.339 1.331 1.00 0.00 C ATOM 594 C GLU A 41 1.632 -0.468 1.078 1.00 0.00 C ATOM 595 O GLU A 41 2.762 -0.895 1.195 1.00 0.00 O ATOM 596 CB GLU A 41 0.635 -2.312 2.476 1.00 0.00 C ATOM 597 CG GLU A 41 -0.534 -3.290 2.538 1.00 0.00 C ATOM 598 CD GLU A 41 -1.077 -3.347 3.967 1.00 0.00 C ATOM 599 OE1 GLU A 41 -0.276 -3.444 4.881 1.00 0.00 O ATOM 600 OE2 GLU A 41 -2.286 -3.291 4.123 1.00 0.00 O ATOM 0 H GLU A 41 0.848 -2.939 0.019 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.385 -0.625 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.570 -2.854 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.721 -1.770 3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.320 -2.977 1.851 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.210 -4.281 2.221 1.00 0.00 H new ATOM 607 N LEU A 42 1.392 0.763 0.744 1.00 0.00 N ATOM 608 CA LEU A 42 2.512 1.697 0.485 1.00 0.00 C ATOM 609 C LEU A 42 2.848 2.435 1.777 1.00 0.00 C ATOM 610 O LEU A 42 2.437 2.043 2.851 1.00 0.00 O ATOM 611 CB LEU A 42 2.015 2.702 -0.575 1.00 0.00 C ATOM 612 CG LEU A 42 0.811 2.155 -1.355 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.470 2.799 -0.825 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.970 2.503 -2.830 1.00 0.00 C ATOM 0 H LEU A 42 0.460 1.165 0.639 1.00 0.00 H new ATOM 0 HA LEU A 42 3.403 1.173 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.739 3.637 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.825 2.930 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 42 0.757 1.073 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.327 2.413 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.584 2.564 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.414 3.880 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.118 2.117 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.019 3.586 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.887 2.056 -3.213 1.00 0.00 H new ATOM 626 N GLY A 43 3.575 3.509 1.686 1.00 0.00 N ATOM 627 CA GLY A 43 3.908 4.270 2.929 1.00 0.00 C ATOM 628 C GLY A 43 5.184 5.095 2.735 1.00 0.00 C ATOM 629 O GLY A 43 5.394 5.694 1.704 1.00 0.00 O ATOM 0 H GLY A 43 3.951 3.893 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.080 4.929 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.040 3.578 3.761 1.00 0.00 H new ATOM 633 N CYS A 44 6.025 5.159 3.731 1.00 0.00 N ATOM 634 CA CYS A 44 7.267 5.975 3.604 1.00 0.00 C ATOM 635 C CYS A 44 8.512 5.098 3.765 1.00 0.00 C ATOM 636 O CYS A 44 8.458 4.018 4.320 1.00 0.00 O ATOM 637 CB CYS A 44 7.220 7.036 4.724 1.00 0.00 C ATOM 638 SG CYS A 44 5.725 6.893 5.750 1.00 0.00 S ATOM 0 H CYS A 44 5.907 4.683 4.625 1.00 0.00 H new ATOM 0 HA CYS A 44 7.321 6.440 2.620 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.102 6.933 5.356 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.260 8.031 4.281 1.00 0.00 H new ATOM 643 N ALA A 45 9.636 5.562 3.285 1.00 0.00 N ATOM 644 CA ALA A 45 10.887 4.777 3.406 1.00 0.00 C ATOM 645 C ALA A 45 12.073 5.652 3.002 1.00 0.00 C ATOM 646 O ALA A 45 11.965 6.494 2.133 1.00 0.00 O ATOM 647 CB ALA A 45 10.723 3.599 2.445 1.00 0.00 C ATOM 0 H ALA A 45 9.736 6.460 2.811 1.00 0.00 H new ATOM 0 HA ALA A 45 11.070 4.431 4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.614 2.973 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.853 3.010 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.584 3.973 1.431 1.00 0.00 H new ATOM 653 N ALA A 46 13.198 5.473 3.630 1.00 0.00 N ATOM 654 CA ALA A 46 14.377 6.313 3.283 1.00 0.00 C ATOM 655 C ALA A 46 14.855 6.005 1.861 1.00 0.00 C ATOM 656 O ALA A 46 15.438 6.841 1.200 1.00 0.00 O ATOM 657 CB ALA A 46 15.448 5.938 4.307 1.00 0.00 C ATOM 0 H ALA A 46 13.354 4.784 4.366 1.00 0.00 H new ATOM 0 HA ALA A 46 14.144 7.378 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.352 6.517 4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.083 6.154 5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.674 4.875 4.224 1.00 0.00 H new ATOM 663 N THR A 47 14.614 4.815 1.386 1.00 0.00 N ATOM 664 CA THR A 47 15.057 4.462 0.007 1.00 0.00 C ATOM 665 C THR A 47 14.358 3.184 -0.462 1.00 0.00 C ATOM 666 O THR A 47 14.124 2.276 0.310 1.00 0.00 O ATOM 667 CB THR A 47 16.565 4.240 0.119 1.00 0.00 C ATOM 668 OG1 THR A 47 16.885 3.840 1.445 1.00 0.00 O ATOM 669 CG2 THR A 47 17.301 5.538 -0.217 1.00 0.00 C ATOM 0 H THR A 47 14.131 4.072 1.891 1.00 0.00 H new ATOM 0 HA THR A 47 14.814 5.240 -0.717 1.00 0.00 H new ATOM 0 HB THR A 47 16.871 3.462 -0.580 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.851 3.696 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 47 18.376 5.378 -0.137 1.00 0.00 H new ATOM 0 HG22 THR A 47 17.055 5.843 -1.234 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.997 6.319 0.480 1.00 0.00 H new ATOM 677 N CYS A 48 14.023 3.108 -1.722 1.00 0.00 N ATOM 678 CA CYS A 48 13.338 1.889 -2.241 1.00 0.00 C ATOM 679 C CYS A 48 13.983 0.631 -1.655 1.00 0.00 C ATOM 680 O CYS A 48 15.036 0.211 -2.093 1.00 0.00 O ATOM 681 CB CYS A 48 13.537 1.936 -3.757 1.00 0.00 C ATOM 682 SG CYS A 48 12.871 3.488 -4.409 1.00 0.00 S ATOM 0 H CYS A 48 14.194 3.837 -2.414 1.00 0.00 H new ATOM 0 HA CYS A 48 12.283 1.862 -1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 48 14.597 1.854 -3.998 1.00 0.00 H new ATOM 0 HB3 CYS A 48 13.037 1.089 -4.226 1.00 0.00 H new ATOM 687 N PRO A 49 13.325 0.073 -0.676 1.00 0.00 N ATOM 688 CA PRO A 49 13.836 -1.151 -0.015 1.00 0.00 C ATOM 689 C PRO A 49 13.635 -2.371 -0.920 1.00 0.00 C ATOM 690 O PRO A 49 14.252 -3.401 -0.735 1.00 0.00 O ATOM 691 CB PRO A 49 12.987 -1.256 1.248 1.00 0.00 C ATOM 692 CG PRO A 49 11.722 -0.519 0.935 1.00 0.00 C ATOM 693 CD PRO A 49 12.054 0.525 -0.101 1.00 0.00 C ATOM 0 HA PRO A 49 14.904 -1.111 0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.784 -2.297 1.500 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.498 -0.815 2.104 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.961 -1.204 0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.317 -0.053 1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.275 0.593 -0.861 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.149 1.514 0.347 1.00 0.00 H new ATOM 701 N SER A 50 12.782 -2.259 -1.901 1.00 0.00 N ATOM 702 CA SER A 50 12.546 -3.408 -2.823 1.00 0.00 C ATOM 703 C SER A 50 12.161 -4.663 -2.034 1.00 0.00 C ATOM 704 O SER A 50 12.123 -4.659 -0.820 1.00 0.00 O ATOM 705 CB SER A 50 13.881 -3.617 -3.538 1.00 0.00 C ATOM 706 OG SER A 50 14.656 -2.430 -3.442 1.00 0.00 O ATOM 0 H SER A 50 12.237 -1.421 -2.105 1.00 0.00 H new ATOM 0 HA SER A 50 11.730 -3.213 -3.519 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.419 -4.453 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.711 -3.870 -4.584 1.00 0.00 H new ATOM 0 HG SER A 50 15.513 -2.561 -3.898 1.00 0.00 H new ATOM 712 N LYS A 51 11.880 -5.738 -2.720 1.00 0.00 N ATOM 713 CA LYS A 51 11.501 -6.998 -2.017 1.00 0.00 C ATOM 714 C LYS A 51 12.708 -7.936 -1.939 1.00 0.00 C ATOM 715 O LYS A 51 13.539 -7.967 -2.825 1.00 0.00 O ATOM 716 CB LYS A 51 10.397 -7.616 -2.874 1.00 0.00 C ATOM 717 CG LYS A 51 10.907 -7.813 -4.302 1.00 0.00 C ATOM 718 CD LYS A 51 10.850 -9.299 -4.665 1.00 0.00 C ATOM 719 CE LYS A 51 11.759 -9.565 -5.866 1.00 0.00 C ATOM 720 NZ LYS A 51 11.064 -8.931 -7.020 1.00 0.00 N ATOM 0 H LYS A 51 11.897 -5.798 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 51 11.167 -6.818 -0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.087 -8.572 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.519 -6.970 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.301 -7.234 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.930 -7.446 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.166 -9.904 -3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.826 -9.588 -4.899 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.749 -9.134 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.898 -10.634 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.467 -9.291 -7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.050 -9.159 -6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.189 -7.899 -6.976 1.00 0.00 H new ATOM 734 N LYS A 52 12.815 -8.698 -0.885 1.00 0.00 N ATOM 735 CA LYS A 52 13.973 -9.627 -0.755 1.00 0.00 C ATOM 736 C LYS A 52 13.615 -11.022 -1.281 1.00 0.00 C ATOM 737 O LYS A 52 14.328 -11.577 -2.093 1.00 0.00 O ATOM 738 CB LYS A 52 14.273 -9.679 0.744 1.00 0.00 C ATOM 739 CG LYS A 52 15.669 -9.112 1.006 1.00 0.00 C ATOM 740 CD LYS A 52 15.564 -7.895 1.928 1.00 0.00 C ATOM 741 CE LYS A 52 15.630 -8.350 3.388 1.00 0.00 C ATOM 742 NZ LYS A 52 14.292 -8.023 3.954 1.00 0.00 N ATOM 0 H LYS A 52 12.152 -8.718 -0.110 1.00 0.00 H new ATOM 0 HA LYS A 52 14.832 -9.289 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.527 -9.106 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.214 -10.707 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.302 -9.873 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.140 -8.828 0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.373 -7.196 1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.629 -7.366 1.743 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.839 -9.417 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.424 -7.833 3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.260 -8.306 4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.124 -7.000 3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.557 -8.535 3.425 1.00 0.00 H new ATOM 756 N PRO A 53 12.522 -11.549 -0.794 1.00 0.00 N ATOM 757 CA PRO A 53 12.078 -12.894 -1.217 1.00 0.00 C ATOM 758 C PRO A 53 11.289 -12.822 -2.527 1.00 0.00 C ATOM 759 O PRO A 53 11.835 -12.966 -3.603 1.00 0.00 O ATOM 760 CB PRO A 53 11.179 -13.343 -0.071 1.00 0.00 C ATOM 761 CG PRO A 53 10.678 -12.082 0.569 1.00 0.00 C ATOM 762 CD PRO A 53 11.608 -10.955 0.184 1.00 0.00 C ATOM 0 HA PRO A 53 12.907 -13.576 -1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.352 -13.952 -0.437 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.731 -13.953 0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.662 -11.866 0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.644 -12.193 1.653 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.059 -10.117 -0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.148 -10.573 1.050 1.00 0.00 H new ATOM 770 N TYR A 54 10.005 -12.614 -2.441 1.00 0.00 N ATOM 771 CA TYR A 54 9.168 -12.548 -3.677 1.00 0.00 C ATOM 772 C TYR A 54 8.114 -11.447 -3.545 1.00 0.00 C ATOM 773 O TYR A 54 7.147 -11.409 -4.280 1.00 0.00 O ATOM 774 CB TYR A 54 8.490 -13.924 -3.793 1.00 0.00 C ATOM 775 CG TYR A 54 8.335 -14.545 -2.421 1.00 0.00 C ATOM 776 CD1 TYR A 54 7.623 -13.868 -1.424 1.00 0.00 C ATOM 777 CD2 TYR A 54 8.918 -15.786 -2.145 1.00 0.00 C ATOM 778 CE1 TYR A 54 7.491 -14.435 -0.151 1.00 0.00 C ATOM 779 CE2 TYR A 54 8.788 -16.352 -0.872 1.00 0.00 C ATOM 780 CZ TYR A 54 8.075 -15.677 0.125 1.00 0.00 C ATOM 781 OH TYR A 54 7.947 -16.236 1.380 1.00 0.00 O ATOM 0 H TYR A 54 9.495 -12.486 -1.567 1.00 0.00 H new ATOM 0 HA TYR A 54 9.767 -12.318 -4.558 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.513 -13.818 -4.265 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.084 -14.578 -4.432 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.176 -12.908 -1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.468 -16.307 -2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.939 -13.915 0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.238 -17.310 -0.659 1.00 0.00 H new ATOM 0 HH TYR A 54 8.410 -17.099 1.402 1.00 0.00 H new ATOM 791 N GLU A 55 8.292 -10.550 -2.616 1.00 0.00 N ATOM 792 CA GLU A 55 7.297 -9.454 -2.443 1.00 0.00 C ATOM 793 C GLU A 55 7.369 -8.490 -3.630 1.00 0.00 C ATOM 794 O GLU A 55 7.885 -8.823 -4.678 1.00 0.00 O ATOM 795 CB GLU A 55 7.706 -8.750 -1.148 1.00 0.00 C ATOM 796 CG GLU A 55 7.586 -9.727 0.023 1.00 0.00 C ATOM 797 CD GLU A 55 7.492 -8.944 1.333 1.00 0.00 C ATOM 798 OE1 GLU A 55 7.484 -7.726 1.273 1.00 0.00 O ATOM 799 OE2 GLU A 55 7.430 -9.576 2.375 1.00 0.00 O ATOM 0 H GLU A 55 9.081 -10.528 -1.970 1.00 0.00 H new ATOM 0 HA GLU A 55 6.273 -9.824 -2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.730 -8.385 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.070 -7.881 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.704 -10.354 -0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.449 -10.392 0.046 1.00 0.00 H new ATOM 806 N GLU A 56 6.857 -7.300 -3.478 1.00 0.00 N ATOM 807 CA GLU A 56 6.902 -6.324 -4.605 1.00 0.00 C ATOM 808 C GLU A 56 6.837 -4.892 -4.069 1.00 0.00 C ATOM 809 O GLU A 56 5.841 -4.211 -4.210 1.00 0.00 O ATOM 810 CB GLU A 56 5.668 -6.637 -5.452 1.00 0.00 C ATOM 811 CG GLU A 56 5.891 -6.136 -6.880 1.00 0.00 C ATOM 812 CD GLU A 56 5.056 -6.971 -7.853 1.00 0.00 C ATOM 813 OE1 GLU A 56 4.177 -7.680 -7.392 1.00 0.00 O ATOM 814 OE2 GLU A 56 5.310 -6.886 -9.044 1.00 0.00 O ATOM 0 H GLU A 56 6.411 -6.961 -2.626 1.00 0.00 H new ATOM 0 HA GLU A 56 7.823 -6.404 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.480 -7.711 -5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.787 -6.161 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.612 -5.085 -6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.947 -6.205 -7.140 1.00 0.00 H new ATOM 821 N VAL A 57 7.893 -4.428 -3.457 1.00 0.00 N ATOM 822 CA VAL A 57 7.889 -3.038 -2.916 1.00 0.00 C ATOM 823 C VAL A 57 8.139 -2.035 -4.050 1.00 0.00 C ATOM 824 O VAL A 57 8.735 -2.363 -5.057 1.00 0.00 O ATOM 825 CB VAL A 57 9.035 -3.005 -1.903 1.00 0.00 C ATOM 826 CG1 VAL A 57 9.048 -1.655 -1.183 1.00 0.00 C ATOM 827 CG2 VAL A 57 8.839 -4.123 -0.878 1.00 0.00 C ATOM 0 H VAL A 57 8.757 -4.950 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 57 6.937 -2.771 -2.458 1.00 0.00 H new ATOM 0 HB VAL A 57 9.982 -3.146 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.865 -1.635 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.186 -0.856 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.101 -1.511 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.655 -4.101 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.891 -3.979 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.831 -5.087 -1.388 1.00 0.00 H new ATOM 837 N THR A 58 7.692 -0.817 -3.897 1.00 0.00 N ATOM 838 CA THR A 58 7.910 0.199 -4.969 1.00 0.00 C ATOM 839 C THR A 58 8.206 1.564 -4.347 1.00 0.00 C ATOM 840 O THR A 58 8.377 1.686 -3.151 1.00 0.00 O ATOM 841 CB THR A 58 6.600 0.244 -5.758 1.00 0.00 C ATOM 842 OG1 THR A 58 5.811 -0.892 -5.432 1.00 0.00 O ATOM 843 CG2 THR A 58 6.904 0.243 -7.256 1.00 0.00 C ATOM 0 H THR A 58 7.186 -0.481 -3.077 1.00 0.00 H new ATOM 0 HA THR A 58 8.757 -0.054 -5.607 1.00 0.00 H new ATOM 0 HB THR A 58 6.053 1.151 -5.501 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.468 -0.801 -4.518 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.970 0.275 -7.817 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.507 1.116 -7.505 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.452 -0.663 -7.515 1.00 0.00 H new ATOM 851 N CYS A 59 8.257 2.596 -5.146 1.00 0.00 N ATOM 852 CA CYS A 59 8.531 3.948 -4.585 1.00 0.00 C ATOM 853 C CYS A 59 7.687 5.011 -5.261 1.00 0.00 C ATOM 854 O CYS A 59 7.028 4.781 -6.255 1.00 0.00 O ATOM 855 CB CYS A 59 9.985 4.251 -4.897 1.00 0.00 C ATOM 856 SG CYS A 59 11.043 3.639 -3.563 1.00 0.00 S ATOM 0 H CYS A 59 8.122 2.561 -6.156 1.00 0.00 H new ATOM 0 HA CYS A 59 8.305 3.955 -3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.268 3.784 -5.840 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.123 5.325 -5.019 1.00 0.00 H new ATOM 861 N CYS A 60 7.763 6.192 -4.740 1.00 0.00 N ATOM 862 CA CYS A 60 7.033 7.332 -5.350 1.00 0.00 C ATOM 863 C CYS A 60 7.467 8.636 -4.662 1.00 0.00 C ATOM 864 O CYS A 60 7.419 8.753 -3.455 1.00 0.00 O ATOM 865 CB CYS A 60 5.532 7.010 -5.188 1.00 0.00 C ATOM 866 SG CYS A 60 4.766 7.995 -3.872 1.00 0.00 S ATOM 0 H CYS A 60 8.305 6.424 -3.908 1.00 0.00 H new ATOM 0 HA CYS A 60 7.251 7.473 -6.409 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.017 7.199 -6.130 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.410 5.950 -4.965 1.00 0.00 H new ATOM 871 N SER A 61 7.927 9.601 -5.415 1.00 0.00 N ATOM 872 CA SER A 61 8.404 10.868 -4.783 1.00 0.00 C ATOM 873 C SER A 61 7.446 12.045 -5.018 1.00 0.00 C ATOM 874 O SER A 61 7.666 13.128 -4.514 1.00 0.00 O ATOM 875 CB SER A 61 9.741 11.145 -5.446 1.00 0.00 C ATOM 876 OG SER A 61 10.771 11.088 -4.469 1.00 0.00 O ATOM 0 H SER A 61 7.993 9.568 -6.432 1.00 0.00 H new ATOM 0 HA SER A 61 8.471 10.760 -3.700 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.929 10.413 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.728 12.126 -5.921 1.00 0.00 H new ATOM 0 HG SER A 61 11.636 11.265 -4.895 1.00 0.00 H new ATOM 882 N THR A 62 6.393 11.867 -5.770 1.00 0.00 N ATOM 883 CA THR A 62 5.463 13.016 -6.001 1.00 0.00 C ATOM 884 C THR A 62 4.513 13.175 -4.809 1.00 0.00 C ATOM 885 O THR A 62 4.609 12.465 -3.828 1.00 0.00 O ATOM 886 CB THR A 62 4.683 12.670 -7.273 1.00 0.00 C ATOM 887 OG1 THR A 62 5.303 11.575 -7.934 1.00 0.00 O ATOM 888 CG2 THR A 62 4.665 13.882 -8.206 1.00 0.00 C ATOM 0 H THR A 62 6.137 10.993 -6.228 1.00 0.00 H new ATOM 0 HA THR A 62 6.000 13.958 -6.109 1.00 0.00 H new ATOM 0 HB THR A 62 3.662 12.399 -7.006 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.800 11.356 -8.746 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.110 13.636 -9.111 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.185 14.721 -7.703 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.687 14.153 -8.470 1.00 0.00 H new ATOM 896 N ASP A 63 3.597 14.102 -4.881 1.00 0.00 N ATOM 897 CA ASP A 63 2.645 14.295 -3.748 1.00 0.00 C ATOM 898 C ASP A 63 1.601 13.177 -3.757 1.00 0.00 C ATOM 899 O ASP A 63 0.973 12.915 -4.763 1.00 0.00 O ATOM 900 CB ASP A 63 1.985 15.650 -4.006 1.00 0.00 C ATOM 901 CG ASP A 63 2.708 16.734 -3.203 1.00 0.00 C ATOM 902 OD1 ASP A 63 3.161 16.431 -2.112 1.00 0.00 O ATOM 903 OD2 ASP A 63 2.797 17.847 -3.694 1.00 0.00 O ATOM 0 H ASP A 63 3.466 14.733 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 63 3.140 14.268 -2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.020 15.886 -5.069 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.933 15.614 -3.722 1.00 0.00 H new ATOM 908 N LYS A 64 1.417 12.504 -2.653 1.00 0.00 N ATOM 909 CA LYS A 64 0.419 11.397 -2.626 1.00 0.00 C ATOM 910 C LYS A 64 0.594 10.532 -3.876 1.00 0.00 C ATOM 911 O LYS A 64 -0.355 10.205 -4.560 1.00 0.00 O ATOM 912 CB LYS A 64 -0.945 12.089 -2.634 1.00 0.00 C ATOM 913 CG LYS A 64 -1.024 13.074 -1.467 1.00 0.00 C ATOM 914 CD LYS A 64 -1.963 14.226 -1.832 1.00 0.00 C ATOM 915 CE LYS A 64 -1.139 15.419 -2.322 1.00 0.00 C ATOM 916 NZ LYS A 64 -2.023 16.602 -2.128 1.00 0.00 N ATOM 0 H LYS A 64 1.910 12.671 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 64 0.530 10.747 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.093 12.614 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.741 11.349 -2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.385 12.566 -0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.031 13.460 -1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.661 13.909 -2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.558 14.513 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.214 15.520 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.859 15.302 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.527 17.461 -2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.893 16.481 -2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.267 16.692 -1.121 1.00 0.00 H new ATOM 930 N CYS A 65 1.810 10.164 -4.175 1.00 0.00 N ATOM 931 CA CYS A 65 2.060 9.322 -5.384 1.00 0.00 C ATOM 932 C CYS A 65 2.023 7.836 -5.018 1.00 0.00 C ATOM 933 O CYS A 65 2.651 7.014 -5.655 1.00 0.00 O ATOM 934 CB CYS A 65 3.436 9.729 -5.940 1.00 0.00 C ATOM 935 SG CYS A 65 4.663 9.857 -4.619 1.00 0.00 S ATOM 0 H CYS A 65 2.641 10.408 -3.637 1.00 0.00 H new ATOM 0 HA CYS A 65 1.289 9.479 -6.138 1.00 0.00 H new ATOM 0 HB2 CYS A 65 3.765 8.995 -6.676 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.354 10.685 -6.457 1.00 0.00 H new ATOM 940 N ASN A 66 1.269 7.482 -4.010 1.00 0.00 N ATOM 941 CA ASN A 66 1.168 6.047 -3.622 1.00 0.00 C ATOM 942 C ASN A 66 -0.241 5.476 -3.925 1.00 0.00 C ATOM 943 O ASN A 66 -0.674 4.570 -3.245 1.00 0.00 O ATOM 944 CB ASN A 66 1.426 6.031 -2.108 1.00 0.00 C ATOM 945 CG ASN A 66 2.838 5.516 -1.804 1.00 0.00 C ATOM 946 OD1 ASN A 66 3.108 5.069 -0.707 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.754 5.562 -2.727 1.00 0.00 N ATOM 0 H ASN A 66 0.720 8.125 -3.440 1.00 0.00 H new ATOM 0 HA ASN A 66 1.876 5.433 -4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.305 7.036 -1.703 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.689 5.398 -1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.695 5.223 -2.529 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.531 5.937 -3.649 1.00 0.00 H new ATOM 954 N PRO A 67 -0.929 6.008 -4.923 1.00 0.00 N ATOM 955 CA PRO A 67 -2.281 5.491 -5.249 1.00 0.00 C ATOM 956 C PRO A 67 -2.178 4.241 -6.130 1.00 0.00 C ATOM 957 O PRO A 67 -2.141 4.334 -7.341 1.00 0.00 O ATOM 958 CB PRO A 67 -2.919 6.626 -6.040 1.00 0.00 C ATOM 959 CG PRO A 67 -1.776 7.373 -6.652 1.00 0.00 C ATOM 960 CD PRO A 67 -0.548 7.113 -5.816 1.00 0.00 C ATOM 0 HA PRO A 67 -2.849 5.209 -4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.592 6.241 -6.806 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.510 7.273 -5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.614 7.046 -7.679 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.994 8.440 -6.688 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.305 6.842 -6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.260 7.999 -5.249 1.00 0.00 H new ATOM 968 N HIS A 68 -2.127 3.075 -5.547 1.00 0.00 N ATOM 969 CA HIS A 68 -2.024 1.846 -6.384 1.00 0.00 C ATOM 970 C HIS A 68 -3.155 1.810 -7.417 1.00 0.00 C ATOM 971 O HIS A 68 -4.133 2.519 -7.294 1.00 0.00 O ATOM 972 CB HIS A 68 -2.107 0.665 -5.413 1.00 0.00 C ATOM 973 CG HIS A 68 -3.332 0.758 -4.538 1.00 0.00 C ATOM 974 ND1 HIS A 68 -4.396 -0.121 -4.668 1.00 0.00 N ATOM 975 CD2 HIS A 68 -3.665 1.593 -3.498 1.00 0.00 C ATOM 976 CE1 HIS A 68 -5.309 0.204 -3.738 1.00 0.00 C ATOM 977 NE2 HIS A 68 -4.915 1.242 -2.997 1.00 0.00 N ATOM 0 H HIS A 68 -2.152 2.920 -4.539 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.092 1.814 -6.948 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.129 -0.269 -5.975 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.213 0.641 -4.789 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.050 2.399 -3.126 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.248 -0.312 -3.606 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.421 1.683 -2.229 1.00 0.00 H new ATOM 985 N PRO A 69 -2.960 1.000 -8.425 1.00 0.00 N ATOM 986 CA PRO A 69 -3.950 0.888 -9.522 1.00 0.00 C ATOM 987 C PRO A 69 -5.141 0.010 -9.125 1.00 0.00 C ATOM 988 O PRO A 69 -5.249 -1.125 -9.543 1.00 0.00 O ATOM 989 CB PRO A 69 -3.156 0.237 -10.649 1.00 0.00 C ATOM 990 CG PRO A 69 -2.050 -0.517 -9.976 1.00 0.00 C ATOM 991 CD PRO A 69 -1.805 0.120 -8.630 1.00 0.00 C ATOM 0 HA PRO A 69 -4.379 1.852 -9.793 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.785 -0.431 -11.237 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.760 0.987 -11.334 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -2.321 -1.566 -9.858 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.145 -0.488 -10.582 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.733 -0.631 -7.843 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.871 0.682 -8.621 1.00 0.00 H new ATOM 999 N LYS A 70 -6.046 0.531 -8.343 1.00 0.00 N ATOM 1000 CA LYS A 70 -7.240 -0.272 -7.943 1.00 0.00 C ATOM 1001 C LYS A 70 -8.296 0.640 -7.317 1.00 0.00 C ATOM 1002 O LYS A 70 -8.355 0.802 -6.115 1.00 0.00 O ATOM 1003 CB LYS A 70 -6.734 -1.276 -6.903 1.00 0.00 C ATOM 1004 CG LYS A 70 -6.379 -2.624 -7.553 1.00 0.00 C ATOM 1005 CD LYS A 70 -7.431 -3.031 -8.594 1.00 0.00 C ATOM 1006 CE LYS A 70 -8.841 -2.822 -8.028 1.00 0.00 C ATOM 1007 NZ LYS A 70 -9.517 -1.891 -8.978 1.00 0.00 N ATOM 0 H LYS A 70 -6.012 1.477 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.698 -0.770 -8.798 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.856 -0.870 -6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.497 -1.428 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.400 -2.555 -8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.307 -3.394 -6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.304 -2.440 -9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.294 -4.076 -8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.379 -3.767 -7.955 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.802 -2.399 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.935 -1.099 -8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.822 -1.525 -9.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.267 -2.400 -9.489 1.00 0.00 H new ATOM 1021 N GLN A 71 -9.131 1.237 -8.121 1.00 0.00 N ATOM 1022 CA GLN A 71 -10.181 2.136 -7.563 1.00 0.00 C ATOM 1023 C GLN A 71 -11.561 1.708 -8.073 1.00 0.00 C ATOM 1024 O GLN A 71 -12.181 2.390 -8.864 1.00 0.00 O ATOM 1025 CB GLN A 71 -9.827 3.538 -8.071 1.00 0.00 C ATOM 1026 CG GLN A 71 -8.313 3.750 -8.005 1.00 0.00 C ATOM 1027 CD GLN A 71 -8.016 5.045 -7.254 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -7.187 5.022 -6.250 1.00 0.00 O flip ATOM 1029 NE2 GLN A 71 -8.542 6.089 -7.585 1.00 0.00 N flip ATOM 0 H GLN A 71 -9.133 1.142 -9.137 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.217 2.102 -6.474 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.176 3.661 -9.096 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.335 4.291 -7.469 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.838 2.908 -7.502 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.897 3.796 -9.011 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.191 6.106 -8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.334 6.948 -7.076 1.00 0.00 H new ATOM 1038 N ARG A 72 -12.043 0.580 -7.624 1.00 0.00 N ATOM 1039 CA ARG A 72 -13.381 0.099 -8.081 1.00 0.00 C ATOM 1040 C ARG A 72 -13.319 -0.317 -9.553 1.00 0.00 C ATOM 1041 O ARG A 72 -13.306 0.517 -10.436 1.00 0.00 O ATOM 1042 CB ARG A 72 -14.323 1.290 -7.899 1.00 0.00 C ATOM 1043 CG ARG A 72 -15.699 0.788 -7.457 1.00 0.00 C ATOM 1044 CD ARG A 72 -16.748 1.178 -8.502 1.00 0.00 C ATOM 1045 NE ARG A 72 -18.059 0.904 -7.850 1.00 0.00 N ATOM 1046 CZ ARG A 72 -18.394 -0.320 -7.542 1.00 0.00 C ATOM 1047 NH1 ARG A 72 -18.244 -1.277 -8.417 1.00 0.00 N ATOM 1048 NH2 ARG A 72 -18.879 -0.586 -6.360 1.00 0.00 N ATOM 0 H ARG A 72 -11.568 -0.031 -6.959 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.717 -0.771 -7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -13.919 1.977 -7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.409 1.845 -8.833 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.680 -0.295 -7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.959 1.215 -6.489 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.657 2.228 -8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.632 0.595 -9.415 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.696 1.674 -7.644 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -17.865 -1.069 -9.341 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -18.506 -2.233 -8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.996 0.162 -5.677 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.141 -1.542 -6.119 1.00 0.00 H new ATOM 1062 N PRO A 73 -13.279 -1.604 -9.764 1.00 0.00 N ATOM 1063 CA PRO A 73 -13.214 -2.152 -11.142 1.00 0.00 C ATOM 1064 C PRO A 73 -14.568 -2.009 -11.843 1.00 0.00 C ATOM 1065 O PRO A 73 -15.334 -2.948 -11.928 1.00 0.00 O ATOM 1066 CB PRO A 73 -12.870 -3.622 -10.925 1.00 0.00 C ATOM 1067 CG PRO A 73 -13.361 -3.937 -9.548 1.00 0.00 C ATOM 1068 CD PRO A 73 -13.290 -2.662 -8.748 1.00 0.00 C ATOM 0 HA PRO A 73 -12.491 -1.636 -11.773 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.353 -4.254 -11.670 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.797 -3.793 -11.010 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.383 -4.314 -9.581 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.749 -4.714 -9.089 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.144 -2.563 -8.078 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.394 -2.629 -8.128 1.00 0.00 H new ATOM 1076 N GLY A 74 -14.869 -0.844 -12.348 1.00 0.00 N ATOM 1077 CA GLY A 74 -16.172 -0.649 -13.044 1.00 0.00 C ATOM 1078 C GLY A 74 -16.124 -1.323 -14.417 1.00 0.00 C ATOM 1079 O GLY A 74 -15.112 -1.934 -14.720 1.00 0.00 O ATOM 1080 OXT GLY A 74 -17.100 -1.217 -15.142 1.00 0.00 O ATOM 0 H GLY A 74 -14.270 -0.020 -12.309 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.981 -1.071 -12.448 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.380 0.415 -13.157 1.00 0.00 H new TER 1084 GLY A 74 ATOM 1085 N MET B 1 -12.621 -5.657 2.981 1.00 0.00 N ATOM 1086 CA MET B 1 -12.573 -4.402 3.784 1.00 0.00 C ATOM 1087 C MET B 1 -11.157 -3.823 3.770 1.00 0.00 C ATOM 1088 O MET B 1 -10.483 -3.788 4.780 1.00 0.00 O ATOM 1089 CB MET B 1 -12.966 -4.825 5.200 1.00 0.00 C ATOM 1090 CG MET B 1 -13.841 -3.743 5.836 1.00 0.00 C ATOM 1091 SD MET B 1 -12.800 -2.599 6.776 1.00 0.00 S ATOM 1092 CE MET B 1 -13.596 -2.837 8.384 1.00 0.00 C ATOM 0 H1 MET B 1 -13.564 -6.087 3.066 1.00 0.00 H new ATOM 0 H2 MET B 1 -12.429 -5.438 1.983 1.00 0.00 H new ATOM 0 H3 MET B 1 -11.904 -6.322 3.334 1.00 0.00 H new ATOM 0 HA MET B 1 -13.236 -3.631 3.390 1.00 0.00 H new ATOM 0 HB2 MET B 1 -13.505 -5.772 5.171 1.00 0.00 H new ATOM 0 HB3 MET B 1 -12.073 -4.985 5.803 1.00 0.00 H new ATOM 0 HG2 MET B 1 -14.388 -3.202 5.064 1.00 0.00 H new ATOM 0 HG3 MET B 1 -14.583 -4.199 6.492 1.00 0.00 H new ATOM 0 HE1 MET B 1 -13.103 -2.213 9.130 1.00 0.00 H new ATOM 0 HE2 MET B 1 -14.647 -2.558 8.314 1.00 0.00 H new ATOM 0 HE3 MET B 1 -13.517 -3.884 8.677 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.696 -3.369 2.635 1.00 0.00 N ATOM 1105 CA ARG B 2 -9.319 -2.798 2.577 1.00 0.00 C ATOM 1106 C ARG B 2 -8.945 -2.395 1.157 1.00 0.00 C ATOM 1107 O ARG B 2 -9.778 -2.235 0.288 1.00 0.00 O ATOM 1108 CB ARG B 2 -8.398 -3.932 3.018 1.00 0.00 C ATOM 1109 CG ARG B 2 -7.273 -3.371 3.892 1.00 0.00 C ATOM 1110 CD ARG B 2 -7.136 -4.220 5.158 1.00 0.00 C ATOM 1111 NE ARG B 2 -6.067 -3.555 5.954 1.00 0.00 N ATOM 1112 CZ ARG B 2 -6.359 -2.544 6.729 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -7.539 -1.990 6.664 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -5.471 -2.088 7.569 1.00 0.00 N ATOM 0 H ARG B 2 -11.208 -3.368 1.753 1.00 0.00 H new ATOM 0 HA ARG B 2 -9.243 -1.908 3.202 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -8.965 -4.679 3.573 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -7.979 -4.433 2.146 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.334 -3.371 3.338 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.487 -2.336 4.157 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -8.074 -4.258 5.711 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.867 -5.248 4.917 1.00 0.00 H new ATOM 0 HE ARG B 2 -5.105 -3.889 5.894 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -8.234 -2.346 6.008 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -7.766 -1.201 7.269 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -4.549 -2.521 7.621 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -5.699 -1.299 8.174 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.673 -2.262 0.932 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.163 -1.902 -0.416 1.00 0.00 C ATOM 1130 C TYR B 3 -6.037 -2.868 -0.756 1.00 0.00 C ATOM 1131 O TYR B 3 -4.931 -2.462 -1.051 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.608 -0.464 -0.326 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.871 0.134 1.042 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -8.127 0.672 1.346 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -5.856 0.135 2.006 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -8.367 1.212 2.615 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -6.096 0.673 3.276 1.00 0.00 C ATOM 1138 CZ TYR B 3 -7.353 1.212 3.581 1.00 0.00 C ATOM 1139 OH TYR B 3 -7.595 1.738 4.834 1.00 0.00 O ATOM 0 H TYR B 3 -6.950 -2.390 1.640 1.00 0.00 H new ATOM 0 HA TYR B 3 -7.940 -1.958 -1.179 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.536 -0.471 -0.524 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -7.070 0.157 -1.093 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -8.910 0.670 0.602 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -4.887 -0.280 1.770 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -9.335 1.629 2.849 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -5.313 0.673 4.020 1.00 0.00 H new ATOM 0 HH TYR B 3 -7.463 1.042 5.512 1.00 0.00 H new ATOM 1149 N TYR B 4 -6.295 -4.148 -0.704 1.00 0.00 N ATOM 1150 CA TYR B 4 -5.200 -5.103 -1.015 1.00 0.00 C ATOM 1151 C TYR B 4 -4.854 -4.976 -2.481 1.00 0.00 C ATOM 1152 O TYR B 4 -3.804 -4.512 -2.849 1.00 0.00 O ATOM 1153 CB TYR B 4 -5.729 -6.522 -0.757 1.00 0.00 C ATOM 1154 CG TYR B 4 -6.690 -6.554 0.395 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.213 -6.626 1.706 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -8.062 -6.542 0.145 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -7.114 -6.682 2.771 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -8.965 -6.601 1.205 1.00 0.00 C ATOM 1159 CZ TYR B 4 -8.493 -6.671 2.522 1.00 0.00 C ATOM 1160 OH TYR B 4 -9.385 -6.730 3.573 1.00 0.00 O ATOM 0 H TYR B 4 -7.195 -4.563 -0.465 1.00 0.00 H new ATOM 0 HA TYR B 4 -4.321 -4.900 -0.404 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -6.223 -6.895 -1.654 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -4.893 -7.191 -0.552 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -5.150 -6.638 1.895 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -8.425 -6.487 -0.871 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -6.748 -6.734 3.786 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -10.027 -6.593 1.011 1.00 0.00 H new ATOM 0 HH TYR B 4 -8.892 -6.776 4.419 1.00 0.00 H new ATOM 1170 N GLU B 5 -5.748 -5.386 -3.313 1.00 0.00 N ATOM 1171 CA GLU B 5 -5.503 -5.291 -4.780 1.00 0.00 C ATOM 1172 C GLU B 5 -6.817 -5.429 -5.548 1.00 0.00 C ATOM 1173 O GLU B 5 -6.833 -5.779 -6.711 1.00 0.00 O ATOM 1174 CB GLU B 5 -4.563 -6.450 -5.107 1.00 0.00 C ATOM 1175 CG GLU B 5 -5.249 -7.774 -4.775 1.00 0.00 C ATOM 1176 CD GLU B 5 -5.579 -8.516 -6.072 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -4.685 -9.145 -6.615 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -6.719 -8.444 -6.499 1.00 0.00 O ATOM 0 H GLU B 5 -6.648 -5.787 -3.049 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.073 -4.330 -5.062 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -4.291 -6.424 -6.162 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -3.639 -6.354 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -4.599 -8.385 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -6.160 -7.591 -4.206 1.00 0.00 H new ATOM 1185 N SER B 6 -7.921 -5.159 -4.908 1.00 0.00 N ATOM 1186 CA SER B 6 -9.231 -5.281 -5.610 1.00 0.00 C ATOM 1187 C SER B 6 -9.936 -3.922 -5.693 1.00 0.00 C ATOM 1188 O SER B 6 -10.833 -3.735 -6.491 1.00 0.00 O ATOM 1189 CB SER B 6 -10.046 -6.252 -4.758 1.00 0.00 C ATOM 1190 OG SER B 6 -9.881 -7.571 -5.262 1.00 0.00 O ATOM 0 H SER B 6 -7.974 -4.861 -3.934 1.00 0.00 H new ATOM 0 HA SER B 6 -9.110 -5.631 -6.635 1.00 0.00 H new ATOM 0 HB2 SER B 6 -9.720 -6.204 -3.719 1.00 0.00 H new ATOM 0 HB3 SER B 6 -11.100 -5.973 -4.775 1.00 0.00 H new ATOM 0 HG SER B 6 -10.401 -8.197 -4.716 1.00 0.00 H new ATOM 1196 N SER B 7 -9.543 -2.977 -4.872 1.00 0.00 N ATOM 1197 CA SER B 7 -10.196 -1.626 -4.892 1.00 0.00 C ATOM 1198 C SER B 7 -9.874 -0.868 -3.597 1.00 0.00 C ATOM 1199 O SER B 7 -9.129 -1.340 -2.763 1.00 0.00 O ATOM 1200 CB SER B 7 -11.701 -1.902 -4.985 1.00 0.00 C ATOM 1201 OG SER B 7 -12.422 -0.822 -4.411 1.00 0.00 O ATOM 0 H SER B 7 -8.796 -3.082 -4.186 1.00 0.00 H new ATOM 0 HA SER B 7 -9.845 -1.014 -5.723 1.00 0.00 H new ATOM 0 HB2 SER B 7 -11.993 -2.034 -6.027 1.00 0.00 H new ATOM 0 HB3 SER B 7 -11.943 -2.830 -4.467 1.00 0.00 H new ATOM 0 HG SER B 7 -13.384 -1.001 -4.473 1.00 0.00 H new ATOM 1207 N LEU B 8 -10.431 0.302 -3.420 1.00 0.00 N ATOM 1208 CA LEU B 8 -10.155 1.080 -2.175 1.00 0.00 C ATOM 1209 C LEU B 8 -11.390 1.088 -1.268 1.00 0.00 C ATOM 1210 O LEU B 8 -11.323 1.460 -0.114 1.00 0.00 O ATOM 1211 CB LEU B 8 -9.845 2.501 -2.649 1.00 0.00 C ATOM 1212 CG LEU B 8 -8.940 2.451 -3.879 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -8.671 3.873 -4.369 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -7.616 1.780 -3.510 1.00 0.00 C ATOM 0 H LEU B 8 -11.064 0.752 -4.082 1.00 0.00 H new ATOM 0 HA LEU B 8 -9.334 0.650 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -10.771 3.024 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.359 3.062 -1.851 1.00 0.00 H new ATOM 0 HG LEU B 8 -9.429 1.880 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -8.025 3.839 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -9.614 4.352 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -8.181 4.443 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.970 1.744 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -7.126 2.351 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -7.807 0.766 -3.158 1.00 0.00 H new ATOM 1226 N LYS B 9 -12.519 0.687 -1.785 1.00 0.00 N ATOM 1227 CA LYS B 9 -13.760 0.679 -0.958 1.00 0.00 C ATOM 1228 C LYS B 9 -13.740 -0.491 0.027 1.00 0.00 C ATOM 1229 O LYS B 9 -13.683 -1.640 -0.363 1.00 0.00 O ATOM 1230 CB LYS B 9 -14.904 0.504 -1.957 1.00 0.00 C ATOM 1231 CG LYS B 9 -14.695 1.436 -3.152 1.00 0.00 C ATOM 1232 CD LYS B 9 -16.000 1.548 -3.941 1.00 0.00 C ATOM 1233 CE LYS B 9 -16.003 2.854 -4.741 1.00 0.00 C ATOM 1234 NZ LYS B 9 -17.421 3.051 -5.152 1.00 0.00 N ATOM 0 H LYS B 9 -12.636 0.364 -2.745 1.00 0.00 H new ATOM 0 HA LYS B 9 -13.861 1.591 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -14.949 -0.531 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -15.857 0.723 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -14.379 2.421 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -13.901 1.052 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -16.105 0.697 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -16.852 1.524 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -15.648 3.688 -4.136 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -15.346 2.787 -5.608 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -17.501 3.919 -5.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -17.735 2.237 -5.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -18.019 3.135 -4.306 1.00 0.00 H new ATOM 1248 N SER B 10 -13.798 -0.213 1.300 1.00 0.00 N ATOM 1249 CA SER B 10 -13.794 -1.319 2.299 1.00 0.00 C ATOM 1250 C SER B 10 -14.850 -2.361 1.917 1.00 0.00 C ATOM 1251 O SER B 10 -16.036 -2.099 1.956 1.00 0.00 O ATOM 1252 CB SER B 10 -14.150 -0.656 3.629 1.00 0.00 C ATOM 1253 OG SER B 10 -13.029 -0.722 4.501 1.00 0.00 O ATOM 0 H SER B 10 -13.848 0.728 1.691 1.00 0.00 H new ATOM 0 HA SER B 10 -12.834 -1.833 2.350 1.00 0.00 H new ATOM 0 HB2 SER B 10 -14.438 0.383 3.465 1.00 0.00 H new ATOM 0 HB3 SER B 10 -15.007 -1.157 4.080 1.00 0.00 H new ATOM 0 HG SER B 10 -13.305 -1.103 5.361 1.00 0.00 H new ATOM 1259 N TYR B 11 -14.429 -3.536 1.539 1.00 0.00 N ATOM 1260 CA TYR B 11 -15.414 -4.589 1.146 1.00 0.00 C ATOM 1261 C TYR B 11 -16.080 -5.176 2.395 1.00 0.00 C ATOM 1262 O TYR B 11 -15.410 -5.558 3.333 1.00 0.00 O ATOM 1263 CB TYR B 11 -14.600 -5.664 0.413 1.00 0.00 C ATOM 1264 CG TYR B 11 -13.524 -5.011 -0.427 1.00 0.00 C ATOM 1265 CD1 TYR B 11 -13.861 -4.003 -1.340 1.00 0.00 C ATOM 1266 CD2 TYR B 11 -12.187 -5.405 -0.283 1.00 0.00 C ATOM 1267 CE1 TYR B 11 -12.863 -3.394 -2.108 1.00 0.00 C ATOM 1268 CE2 TYR B 11 -11.191 -4.793 -1.049 1.00 0.00 C ATOM 1269 CZ TYR B 11 -11.529 -3.789 -1.960 1.00 0.00 C ATOM 1270 OH TYR B 11 -10.546 -3.185 -2.710 1.00 0.00 O ATOM 0 H TYR B 11 -13.449 -3.815 1.484 1.00 0.00 H new ATOM 0 HA TYR B 11 -16.208 -4.190 0.514 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -14.148 -6.345 1.134 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -15.256 -6.261 -0.221 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -14.891 -3.696 -1.451 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -11.926 -6.182 0.420 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -13.122 -2.619 -2.815 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -10.160 -5.096 -0.937 1.00 0.00 H new ATOM 0 HH TYR B 11 -9.985 -2.631 -2.128 1.00 0.00 H new ATOM 1280 N PRO B 12 -17.386 -5.222 2.363 1.00 0.00 N ATOM 1281 CA PRO B 12 -18.157 -5.763 3.510 1.00 0.00 C ATOM 1282 C PRO B 12 -18.019 -7.287 3.580 1.00 0.00 C ATOM 1283 O PRO B 12 -17.273 -7.888 2.832 1.00 0.00 O ATOM 1284 CB PRO B 12 -19.596 -5.363 3.193 1.00 0.00 C ATOM 1285 CG PRO B 12 -19.635 -5.206 1.706 1.00 0.00 C ATOM 1286 CD PRO B 12 -18.258 -4.780 1.269 1.00 0.00 C ATOM 0 HA PRO B 12 -17.814 -5.384 4.473 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -20.300 -6.124 3.528 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -19.867 -4.434 3.695 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -19.918 -6.143 1.227 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -20.378 -4.463 1.417 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -17.978 -5.244 0.323 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -18.201 -3.701 1.124 1.00 0.00 H new ATOM 1294 N ASP B 13 -18.733 -7.916 4.475 1.00 0.00 N ATOM 1295 CA ASP B 13 -18.643 -9.400 4.596 1.00 0.00 C ATOM 1296 C ASP B 13 -19.181 -10.068 3.327 1.00 0.00 C ATOM 1297 O ASP B 13 -18.565 -11.019 2.875 1.00 0.00 O ATOM 1298 CB ASP B 13 -19.518 -9.753 5.799 1.00 0.00 C ATOM 1299 CG ASP B 13 -19.229 -11.190 6.236 1.00 0.00 C ATOM 1300 OD1 ASP B 13 -18.209 -11.401 6.872 1.00 0.00 O ATOM 1301 OD2 ASP B 13 -20.032 -12.055 5.928 1.00 0.00 O ATOM 1302 OXT ASP B 13 -20.199 -9.616 2.829 1.00 0.00 O ATOM 0 H ASP B 13 -19.375 -7.466 5.128 1.00 0.00 H new ATOM 0 HA ASP B 13 -17.616 -9.742 4.724 1.00 0.00 H new ATOM 0 HB2 ASP B 13 -19.320 -9.065 6.621 1.00 0.00 H new ATOM 0 HB3 ASP B 13 -20.571 -9.645 5.540 1.00 0.00 H new TER 1307 ASP B 13