USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 7 SER OG : rot 103:sc= -0.583 USER MOD Set 2.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 5 THR OG1 : rot -40:sc= 0.949! USER MOD Set 3.2: A 8 THR OG1 : rot -111:sc= -1.43! USER MOD Single : A 1 ILE N :NH3+ 150:sc= -1.12 (180deg=-1.83!) USER MOD Single : A 4 HIS : no HD1:sc= -16! C(o=-16!,f=-18!) USER MOD Single : A 6 THR OG1 : rot -85:sc= -6.6! USER MOD Single : A 9 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00536 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.096 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.51 F(o=-4.3!,f=-1.5) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 176:sc= -0.451 (180deg=-0.484) USER MOD Single : A 34 SER OG : rot 180:sc=-0.000669 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -151:sc= -0.0077 (180deg=-0.758) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -49:sc= 0.0221 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.605 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0996 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -9.03! C(o=-9!,f=-11!) USER MOD Single : A 68 HIS : no HD1:sc= -4.18! C(o=-4.2!,f=-4.7!) USER MOD Single : A 70 LYS NZ :NH3+ -123:sc= -3.34! (180deg=-4.84!) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.92! C(o=-6.3!,f=-1.9!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -175:sc= 0.448 (180deg=0.24) USER MOD Single : B 3 TYR OH : rot -176:sc= -1.11! USER MOD Single : B 4 TYR OH : rot 180:sc= -4.29! USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 TYR OH : rot 180:sc= -0.663 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 7.532 15.311 -0.780 1.00 0.00 N ATOM 2 CA ILE A 1 6.157 15.165 -1.337 1.00 0.00 C ATOM 3 C ILE A 1 5.295 14.308 -0.405 1.00 0.00 C ATOM 4 O ILE A 1 5.602 14.138 0.758 1.00 0.00 O ATOM 5 CB ILE A 1 6.348 14.469 -2.685 1.00 0.00 C ATOM 6 CG1 ILE A 1 7.249 13.245 -2.502 1.00 0.00 C ATOM 7 CG2 ILE A 1 7.001 15.438 -3.672 1.00 0.00 C ATOM 8 CD1 ILE A 1 7.021 12.267 -3.656 1.00 0.00 C ATOM 0 H1 ILE A 1 8.213 15.418 -1.559 1.00 0.00 H new ATOM 0 H2 ILE A 1 7.571 16.151 -0.168 1.00 0.00 H new ATOM 0 H3 ILE A 1 7.773 14.466 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 1 5.650 16.124 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 1 5.379 14.154 -3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 1 8.295 13.551 -2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 1 7.032 12.759 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.137 14.942 -4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.361 16.311 -3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 1 7.970 15.753 -3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 1 7.662 11.395 -3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 1 5.978 11.952 -3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 1 7.260 12.756 -4.600 1.00 0.00 H new ATOM 22 N VAL A 2 4.219 13.768 -0.907 1.00 0.00 N ATOM 23 CA VAL A 2 3.336 12.922 -0.052 1.00 0.00 C ATOM 24 C VAL A 2 3.036 11.600 -0.754 1.00 0.00 C ATOM 25 O VAL A 2 3.160 11.483 -1.956 1.00 0.00 O ATOM 26 CB VAL A 2 2.053 13.728 0.110 1.00 0.00 C ATOM 27 CG1 VAL A 2 1.206 13.136 1.233 1.00 0.00 C ATOM 28 CG2 VAL A 2 2.401 15.178 0.445 1.00 0.00 C ATOM 0 H VAL A 2 3.912 13.876 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 2 3.798 12.684 0.906 1.00 0.00 H new ATOM 0 HB VAL A 2 1.488 13.693 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.290 13.717 1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.954 12.103 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.768 13.164 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.483 15.755 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.970 15.210 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.998 15.604 -0.361 1.00 0.00 H new ATOM 38 N CYS A 3 2.649 10.601 -0.014 1.00 0.00 N ATOM 39 CA CYS A 3 2.350 9.288 -0.647 1.00 0.00 C ATOM 40 C CYS A 3 1.072 8.690 -0.062 1.00 0.00 C ATOM 41 O CYS A 3 0.694 8.993 1.050 1.00 0.00 O ATOM 42 CB CYS A 3 3.540 8.410 -0.304 1.00 0.00 C ATOM 43 SG CYS A 3 5.078 9.344 -0.512 1.00 0.00 S ATOM 0 H CYS A 3 2.527 10.636 0.998 1.00 0.00 H new ATOM 0 HA CYS A 3 2.196 9.379 -1.722 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.456 8.055 0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.550 7.529 -0.946 1.00 0.00 H new ATOM 48 N HIS A 4 0.421 7.818 -0.789 1.00 0.00 N ATOM 49 CA HIS A 4 -0.829 7.191 -0.258 1.00 0.00 C ATOM 50 C HIS A 4 -0.486 5.925 0.499 1.00 0.00 C ATOM 51 O HIS A 4 0.510 5.288 0.220 1.00 0.00 O ATOM 52 CB HIS A 4 -1.678 6.826 -1.459 1.00 0.00 C ATOM 53 CG HIS A 4 -1.808 7.992 -2.402 1.00 0.00 C ATOM 54 ND1 HIS A 4 -2.223 9.238 -1.974 1.00 0.00 N ATOM 55 CD2 HIS A 4 -1.609 8.108 -3.754 1.00 0.00 C ATOM 56 CE1 HIS A 4 -2.257 10.048 -3.048 1.00 0.00 C ATOM 57 NE2 HIS A 4 -1.892 9.409 -4.160 1.00 0.00 N ATOM 0 H HIS A 4 0.698 7.514 -1.722 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.350 7.873 0.414 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.231 5.980 -1.981 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.667 6.510 -1.127 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.282 7.311 -4.405 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.545 11.088 -3.014 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.833 9.791 -5.104 1.00 0.00 H new ATOM 65 N THR A 5 -1.291 5.518 1.438 1.00 0.00 N ATOM 66 CA THR A 5 -0.946 4.268 2.139 1.00 0.00 C ATOM 67 C THR A 5 -2.025 3.230 1.916 1.00 0.00 C ATOM 68 O THR A 5 -3.105 3.272 2.473 1.00 0.00 O ATOM 69 CB THR A 5 -0.804 4.587 3.620 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.950 4.127 4.308 1.00 0.00 O ATOM 71 CG2 THR A 5 -0.617 6.090 3.857 1.00 0.00 C ATOM 0 H THR A 5 -2.146 5.985 1.739 1.00 0.00 H new ATOM 0 HA THR A 5 -0.011 3.860 1.755 1.00 0.00 H new ATOM 0 HB THR A 5 0.085 4.081 3.997 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.749 4.305 3.769 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.519 6.280 4.926 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.283 6.430 3.344 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.481 6.630 3.470 1.00 0.00 H new ATOM 79 N THR A 6 -1.707 2.291 1.114 1.00 0.00 N ATOM 80 CA THR A 6 -2.644 1.183 0.822 1.00 0.00 C ATOM 81 C THR A 6 -2.374 0.040 1.797 1.00 0.00 C ATOM 82 O THR A 6 -3.108 -0.924 1.864 1.00 0.00 O ATOM 83 CB THR A 6 -2.287 0.759 -0.595 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.918 1.040 -0.811 1.00 0.00 O ATOM 85 CG2 THR A 6 -3.131 1.539 -1.598 1.00 0.00 C ATOM 0 H THR A 6 -0.813 2.231 0.627 1.00 0.00 H new ATOM 0 HA THR A 6 -3.693 1.463 0.918 1.00 0.00 H new ATOM 0 HB THR A 6 -2.481 -0.306 -0.725 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.816 1.973 -1.094 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.870 1.231 -2.610 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.187 1.339 -1.418 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.939 2.606 -1.483 1.00 0.00 H new ATOM 93 N ALA A 7 -1.297 0.129 2.534 1.00 0.00 N ATOM 94 CA ALA A 7 -0.957 -0.965 3.479 1.00 0.00 C ATOM 95 C ALA A 7 -1.545 -0.716 4.868 1.00 0.00 C ATOM 96 O ALA A 7 -1.435 -1.543 5.752 1.00 0.00 O ATOM 97 CB ALA A 7 0.570 -0.992 3.513 1.00 0.00 C ATOM 0 H ALA A 7 -0.643 0.911 2.519 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.375 -1.920 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.905 -1.777 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.953 -1.190 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.943 -0.029 3.860 1.00 0.00 H new ATOM 103 N THR A 8 -2.180 0.400 5.071 1.00 0.00 N ATOM 104 CA THR A 8 -2.783 0.671 6.406 1.00 0.00 C ATOM 105 C THR A 8 -4.281 0.363 6.351 1.00 0.00 C ATOM 106 O THR A 8 -4.750 -0.278 5.434 1.00 0.00 O ATOM 107 CB THR A 8 -2.543 2.160 6.657 1.00 0.00 C ATOM 108 OG1 THR A 8 -3.320 2.921 5.745 1.00 0.00 O ATOM 109 CG2 THR A 8 -1.061 2.481 6.459 1.00 0.00 C ATOM 0 H THR A 8 -2.309 1.135 4.376 1.00 0.00 H new ATOM 0 HA THR A 8 -2.352 0.061 7.200 1.00 0.00 H new ATOM 0 HB THR A 8 -2.832 2.409 7.678 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.728 3.372 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.892 3.543 6.638 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.465 1.895 7.159 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.768 2.234 5.438 1.00 0.00 H new ATOM 117 N SER A 9 -5.038 0.813 7.311 1.00 0.00 N ATOM 118 CA SER A 9 -6.503 0.538 7.278 1.00 0.00 C ATOM 119 C SER A 9 -7.162 1.433 6.224 1.00 0.00 C ATOM 120 O SER A 9 -7.933 0.970 5.407 1.00 0.00 O ATOM 121 CB SER A 9 -7.013 0.875 8.680 1.00 0.00 C ATOM 122 OG SER A 9 -8.200 1.650 8.576 1.00 0.00 O ATOM 0 H SER A 9 -4.711 1.355 8.111 1.00 0.00 H new ATOM 0 HA SER A 9 -6.732 -0.495 7.016 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.211 -0.041 9.237 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.253 1.426 9.233 1.00 0.00 H new ATOM 0 HG SER A 9 -8.530 1.866 9.473 1.00 0.00 H new ATOM 128 N PRO A 10 -6.825 2.693 6.279 1.00 0.00 N ATOM 129 CA PRO A 10 -7.368 3.673 5.315 1.00 0.00 C ATOM 130 C PRO A 10 -6.504 3.735 4.037 1.00 0.00 C ATOM 131 O PRO A 10 -5.784 2.815 3.705 1.00 0.00 O ATOM 132 CB PRO A 10 -7.280 4.989 6.085 1.00 0.00 C ATOM 133 CG PRO A 10 -6.179 4.804 7.089 1.00 0.00 C ATOM 134 CD PRO A 10 -5.932 3.324 7.253 1.00 0.00 C ATOM 0 HA PRO A 10 -8.376 3.429 4.979 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.062 5.820 5.415 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.225 5.217 6.579 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.271 5.306 6.754 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.456 5.251 8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -4.890 3.072 7.058 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.155 2.994 8.268 1.00 0.00 H new ATOM 142 N ILE A 11 -6.581 4.837 3.340 1.00 0.00 N ATOM 143 CA ILE A 11 -5.809 5.060 2.102 1.00 0.00 C ATOM 144 C ILE A 11 -5.849 6.552 1.816 1.00 0.00 C ATOM 145 O ILE A 11 -6.892 7.124 1.565 1.00 0.00 O ATOM 146 CB ILE A 11 -6.508 4.237 1.014 1.00 0.00 C ATOM 147 CG1 ILE A 11 -5.469 3.270 0.427 1.00 0.00 C ATOM 148 CG2 ILE A 11 -7.088 5.146 -0.090 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.765 2.975 -1.052 1.00 0.00 C ATOM 0 H ILE A 11 -7.178 5.622 3.599 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.764 4.755 2.163 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.346 3.687 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.472 3.700 0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.471 2.340 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.577 4.533 -0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.815 5.831 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.283 5.717 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.015 2.288 -1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.753 2.523 -1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.738 3.904 -1.621 1.00 0.00 H new ATOM 161 N SER A 12 -4.735 7.185 1.875 1.00 0.00 N ATOM 162 CA SER A 12 -4.711 8.646 1.631 1.00 0.00 C ATOM 163 C SER A 12 -3.273 9.103 1.518 1.00 0.00 C ATOM 164 O SER A 12 -2.367 8.436 1.987 1.00 0.00 O ATOM 165 CB SER A 12 -5.382 9.268 2.855 1.00 0.00 C ATOM 166 OG SER A 12 -5.045 8.512 4.011 1.00 0.00 O ATOM 0 H SER A 12 -3.831 6.761 2.082 1.00 0.00 H new ATOM 0 HA SER A 12 -5.222 8.932 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.058 10.302 2.975 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.464 9.286 2.721 1.00 0.00 H new ATOM 0 HG SER A 12 -5.473 8.910 4.798 1.00 0.00 H new ATOM 172 N ALA A 13 -3.050 10.218 0.891 1.00 0.00 N ATOM 173 CA ALA A 13 -1.659 10.697 0.734 1.00 0.00 C ATOM 174 C ALA A 13 -1.214 11.510 1.933 1.00 0.00 C ATOM 175 O ALA A 13 -1.533 12.676 2.059 1.00 0.00 O ATOM 176 CB ALA A 13 -1.664 11.579 -0.498 1.00 0.00 C ATOM 0 H ALA A 13 -3.769 10.815 0.482 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.971 9.856 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.660 11.968 -0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.981 10.995 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.354 12.410 -0.348 1.00 0.00 H new ATOM 182 N VAL A 14 -0.449 10.926 2.795 1.00 0.00 N ATOM 183 CA VAL A 14 0.045 11.698 3.953 1.00 0.00 C ATOM 184 C VAL A 14 1.541 11.893 3.797 1.00 0.00 C ATOM 185 O VAL A 14 2.252 11.036 3.299 1.00 0.00 O ATOM 186 CB VAL A 14 -0.278 10.884 5.215 1.00 0.00 C ATOM 187 CG1 VAL A 14 -1.585 10.128 5.017 1.00 0.00 C ATOM 188 CG2 VAL A 14 0.855 9.893 5.512 1.00 0.00 C ATOM 0 H VAL A 14 -0.145 9.953 2.750 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.424 12.679 4.022 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.379 11.566 6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.811 9.552 5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.391 10.837 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.490 9.453 4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.614 9.322 6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.973 9.212 4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.785 10.440 5.669 1.00 0.00 H new ATOM 198 N THR A 15 2.018 13.008 4.216 1.00 0.00 N ATOM 199 CA THR A 15 3.473 13.269 4.111 1.00 0.00 C ATOM 200 C THR A 15 4.236 12.159 4.837 1.00 0.00 C ATOM 201 O THR A 15 3.769 11.615 5.818 1.00 0.00 O ATOM 202 CB THR A 15 3.684 14.602 4.812 1.00 0.00 C ATOM 203 OG1 THR A 15 2.626 15.488 4.473 1.00 0.00 O ATOM 204 CG2 THR A 15 5.019 15.194 4.364 1.00 0.00 C ATOM 0 H THR A 15 1.468 13.760 4.631 1.00 0.00 H new ATOM 0 HA THR A 15 3.826 13.295 3.080 1.00 0.00 H new ATOM 0 HB THR A 15 3.694 14.456 5.892 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.761 16.347 4.926 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.178 16.150 4.862 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.826 14.510 4.625 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.006 15.345 3.285 1.00 0.00 H new ATOM 212 N CYS A 16 5.397 11.807 4.364 1.00 0.00 N ATOM 213 CA CYS A 16 6.170 10.723 5.028 1.00 0.00 C ATOM 214 C CYS A 16 7.250 11.320 5.936 1.00 0.00 C ATOM 215 O CYS A 16 7.580 12.484 5.827 1.00 0.00 O ATOM 216 CB CYS A 16 6.799 9.933 3.878 1.00 0.00 C ATOM 217 SG CYS A 16 5.576 9.687 2.560 1.00 0.00 S ATOM 0 H CYS A 16 5.844 12.223 3.547 1.00 0.00 H new ATOM 0 HA CYS A 16 5.546 10.093 5.661 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.665 10.468 3.488 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.156 8.969 4.240 1.00 0.00 H new ATOM 222 N PRO A 17 7.763 10.492 6.806 1.00 0.00 N ATOM 223 CA PRO A 17 8.819 10.931 7.755 1.00 0.00 C ATOM 224 C PRO A 17 10.141 11.163 7.017 1.00 0.00 C ATOM 225 O PRO A 17 10.240 10.914 5.832 1.00 0.00 O ATOM 226 CB PRO A 17 8.933 9.758 8.727 1.00 0.00 C ATOM 227 CG PRO A 17 8.439 8.573 7.963 1.00 0.00 C ATOM 228 CD PRO A 17 7.411 9.080 6.987 1.00 0.00 C ATOM 0 HA PRO A 17 8.585 11.871 8.254 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.963 9.615 9.054 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.335 9.928 9.622 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.259 8.082 7.440 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.002 7.835 8.635 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.452 8.534 6.044 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.400 8.967 7.377 1.00 0.00 H new ATOM 236 N PRO A 18 11.119 11.634 7.747 1.00 0.00 N ATOM 237 CA PRO A 18 12.453 11.902 7.151 1.00 0.00 C ATOM 238 C PRO A 18 13.133 10.589 6.755 1.00 0.00 C ATOM 239 O PRO A 18 13.478 9.776 7.590 1.00 0.00 O ATOM 240 CB PRO A 18 13.212 12.605 8.274 1.00 0.00 C ATOM 241 CG PRO A 18 12.533 12.162 9.528 1.00 0.00 C ATOM 242 CD PRO A 18 11.083 11.958 9.178 1.00 0.00 C ATOM 0 HA PRO A 18 12.408 12.501 6.241 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.266 12.326 8.275 1.00 0.00 H new ATOM 0 HB3 PRO A 18 13.169 13.688 8.163 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.975 11.239 9.904 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.641 12.910 10.313 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.639 11.151 9.761 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.493 12.854 9.372 1.00 0.00 H new ATOM 250 N GLY A 19 13.320 10.378 5.482 1.00 0.00 N ATOM 251 CA GLY A 19 13.968 9.122 5.012 1.00 0.00 C ATOM 252 C GLY A 19 13.468 8.806 3.604 1.00 0.00 C ATOM 253 O GLY A 19 14.219 8.819 2.649 1.00 0.00 O ATOM 0 H GLY A 19 13.050 11.026 4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.052 9.234 5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.733 8.300 5.689 1.00 0.00 H new ATOM 257 N GLU A 20 12.199 8.534 3.466 1.00 0.00 N ATOM 258 CA GLU A 20 11.645 8.230 2.126 1.00 0.00 C ATOM 259 C GLU A 20 11.674 9.489 1.262 1.00 0.00 C ATOM 260 O GLU A 20 10.900 10.406 1.454 1.00 0.00 O ATOM 261 CB GLU A 20 10.209 7.797 2.406 1.00 0.00 C ATOM 262 CG GLU A 20 10.218 6.387 2.996 1.00 0.00 C ATOM 263 CD GLU A 20 10.452 6.467 4.506 1.00 0.00 C ATOM 264 OE1 GLU A 20 9.489 6.676 5.225 1.00 0.00 O ATOM 265 OE2 GLU A 20 11.591 6.317 4.917 1.00 0.00 O ATOM 0 H GLU A 20 11.523 8.510 4.230 1.00 0.00 H new ATOM 0 HA GLU A 20 12.207 7.465 1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.735 8.492 3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.624 7.816 1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.271 5.889 2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.000 5.790 2.527 1.00 0.00 H new ATOM 272 N ASN A 21 12.571 9.546 0.318 1.00 0.00 N ATOM 273 CA ASN A 21 12.661 10.750 -0.549 1.00 0.00 C ATOM 274 C ASN A 21 11.476 10.798 -1.513 1.00 0.00 C ATOM 275 O ASN A 21 11.193 11.816 -2.112 1.00 0.00 O ATOM 276 CB ASN A 21 13.975 10.588 -1.313 1.00 0.00 C ATOM 277 CG ASN A 21 15.121 10.307 -0.333 1.00 0.00 C ATOM 278 OD1 ASN A 21 14.941 10.483 0.951 1.00 0.00 O flip ATOM 279 ND2 ASN A 21 16.199 9.923 -0.743 1.00 0.00 N flip ATOM 0 H ASN A 21 13.246 8.810 0.110 1.00 0.00 H new ATOM 0 HA ASN A 21 12.636 11.677 0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.890 9.771 -2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.187 11.492 -1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.344 9.784 -1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.958 9.739 -0.087 1.00 0.00 H new ATOM 286 N LEU A 22 10.776 9.708 -1.666 1.00 0.00 N ATOM 287 CA LEU A 22 9.608 9.706 -2.591 1.00 0.00 C ATOM 288 C LEU A 22 8.584 8.661 -2.164 1.00 0.00 C ATOM 289 O LEU A 22 8.649 8.110 -1.088 1.00 0.00 O ATOM 290 CB LEU A 22 10.177 9.345 -3.962 1.00 0.00 C ATOM 291 CG LEU A 22 10.800 7.947 -3.918 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.069 7.023 -4.899 1.00 0.00 C ATOM 293 CD2 LEU A 22 12.272 8.043 -4.320 1.00 0.00 C ATOM 0 H LEU A 22 10.961 8.823 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 22 9.100 10.671 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.387 9.377 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.928 10.078 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 22 10.714 7.543 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.516 6.029 -4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.017 6.958 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.154 7.424 -5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.723 7.051 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.348 8.447 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.797 8.700 -3.626 1.00 0.00 H new ATOM 305 N CYS A 23 7.642 8.384 -3.016 1.00 0.00 N ATOM 306 CA CYS A 23 6.609 7.372 -2.696 1.00 0.00 C ATOM 307 C CYS A 23 6.903 6.098 -3.474 1.00 0.00 C ATOM 308 O CYS A 23 7.846 6.033 -4.233 1.00 0.00 O ATOM 309 CB CYS A 23 5.310 7.994 -3.173 1.00 0.00 C ATOM 310 SG CYS A 23 5.166 9.663 -2.499 1.00 0.00 S ATOM 0 H CYS A 23 7.544 8.823 -3.932 1.00 0.00 H new ATOM 0 HA CYS A 23 6.574 7.112 -1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.287 8.026 -4.262 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.463 7.386 -2.854 1.00 0.00 H new ATOM 315 N TYR A 24 6.109 5.085 -3.321 1.00 0.00 N ATOM 316 CA TYR A 24 6.395 3.848 -4.086 1.00 0.00 C ATOM 317 C TYR A 24 5.168 2.966 -4.216 1.00 0.00 C ATOM 318 O TYR A 24 4.115 3.260 -3.706 1.00 0.00 O ATOM 319 CB TYR A 24 7.483 3.122 -3.302 1.00 0.00 C ATOM 320 CG TYR A 24 6.881 2.482 -2.081 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.727 3.221 -0.909 1.00 0.00 C ATOM 322 CD2 TYR A 24 6.479 1.147 -2.126 1.00 0.00 C ATOM 323 CE1 TYR A 24 6.171 2.622 0.229 1.00 0.00 C ATOM 324 CE2 TYR A 24 5.921 0.545 -0.993 1.00 0.00 C ATOM 325 CZ TYR A 24 5.768 1.283 0.186 1.00 0.00 C ATOM 326 OH TYR A 24 5.219 0.690 1.305 1.00 0.00 O ATOM 0 H TYR A 24 5.290 5.056 -2.713 1.00 0.00 H new ATOM 0 HA TYR A 24 6.706 4.088 -5.103 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.953 2.364 -3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.265 3.823 -3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.036 4.255 -0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.599 0.578 -3.036 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.054 3.193 1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.609 -0.488 -1.028 1.00 0.00 H new ATOM 0 HH TYR A 24 4.993 -0.242 1.104 1.00 0.00 H new ATOM 336 N ARG A 25 5.314 1.877 -4.902 1.00 0.00 N ATOM 337 CA ARG A 25 4.159 0.950 -5.075 1.00 0.00 C ATOM 338 C ARG A 25 4.618 -0.498 -4.867 1.00 0.00 C ATOM 339 O ARG A 25 5.360 -1.026 -5.664 1.00 0.00 O ATOM 340 CB ARG A 25 3.697 1.144 -6.524 1.00 0.00 C ATOM 341 CG ARG A 25 3.783 2.623 -6.911 1.00 0.00 C ATOM 342 CD ARG A 25 3.444 2.783 -8.394 1.00 0.00 C ATOM 343 NE ARG A 25 2.274 3.703 -8.426 1.00 0.00 N ATOM 344 CZ ARG A 25 1.750 4.051 -9.569 1.00 0.00 C ATOM 345 NH1 ARG A 25 2.298 5.002 -10.275 1.00 0.00 N ATOM 346 NH2 ARG A 25 0.680 3.446 -10.008 1.00 0.00 N ATOM 0 H ARG A 25 6.180 1.583 -5.353 1.00 0.00 H new ATOM 0 HA ARG A 25 3.362 1.152 -4.360 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.317 0.548 -7.194 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.673 0.789 -6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.093 3.209 -6.304 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.785 3.004 -6.713 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.286 3.197 -8.949 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.203 1.822 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 25 1.882 4.061 -7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.136 5.473 -9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.889 5.274 -11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.253 2.701 -9.457 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.271 3.718 -10.902 1.00 0.00 H new ATOM 360 N LYS A 26 4.190 -1.164 -3.825 1.00 0.00 N ATOM 361 CA LYS A 26 4.648 -2.567 -3.647 1.00 0.00 C ATOM 362 C LYS A 26 3.557 -3.538 -4.052 1.00 0.00 C ATOM 363 O LYS A 26 2.409 -3.178 -4.224 1.00 0.00 O ATOM 364 CB LYS A 26 4.958 -2.744 -2.161 1.00 0.00 C ATOM 365 CG LYS A 26 6.468 -2.872 -1.971 1.00 0.00 C ATOM 366 CD LYS A 26 6.848 -2.453 -0.547 1.00 0.00 C ATOM 367 CE LYS A 26 7.932 -1.374 -0.602 1.00 0.00 C ATOM 368 NZ LYS A 26 9.179 -2.059 -0.162 1.00 0.00 N ATOM 0 H LYS A 26 3.559 -0.805 -3.108 1.00 0.00 H new ATOM 0 HA LYS A 26 5.522 -2.765 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.580 -1.893 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.455 -3.631 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.781 -3.900 -2.153 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.989 -2.247 -2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.971 -2.075 -0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.208 -3.316 0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.037 -0.971 -1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.689 -0.537 0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.969 -1.383 -0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.051 -2.426 0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.389 -2.847 -0.808 1.00 0.00 H new ATOM 382 N MET A 27 3.913 -4.773 -4.183 1.00 0.00 N ATOM 383 CA MET A 27 2.911 -5.795 -4.553 1.00 0.00 C ATOM 384 C MET A 27 3.401 -7.157 -4.111 1.00 0.00 C ATOM 385 O MET A 27 4.571 -7.354 -3.850 1.00 0.00 O ATOM 386 CB MET A 27 2.780 -5.717 -6.074 1.00 0.00 C ATOM 387 CG MET A 27 1.348 -5.327 -6.446 1.00 0.00 C ATOM 388 SD MET A 27 1.212 -5.181 -8.245 1.00 0.00 S ATOM 389 CE MET A 27 -0.576 -5.438 -8.363 1.00 0.00 C ATOM 0 H MET A 27 4.862 -5.123 -4.049 1.00 0.00 H new ATOM 0 HA MET A 27 1.945 -5.629 -4.076 1.00 0.00 H new ATOM 0 HB2 MET A 27 3.482 -4.985 -6.473 1.00 0.00 H new ATOM 0 HB3 MET A 27 3.034 -6.678 -6.521 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.648 -6.077 -6.077 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.082 -4.382 -5.972 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.893 -5.317 -9.399 1.00 0.00 H new ATOM 0 HE2 MET A 27 -0.822 -6.444 -8.023 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.091 -4.708 -7.738 1.00 0.00 H new ATOM 399 N TRP A 28 2.517 -8.093 -3.985 1.00 0.00 N ATOM 400 CA TRP A 28 2.953 -9.422 -3.513 1.00 0.00 C ATOM 401 C TRP A 28 1.770 -10.400 -3.453 1.00 0.00 C ATOM 402 O TRP A 28 1.392 -11.000 -4.441 1.00 0.00 O ATOM 403 CB TRP A 28 3.521 -9.145 -2.113 1.00 0.00 C ATOM 404 CG TRP A 28 2.858 -7.959 -1.436 1.00 0.00 C ATOM 405 CD1 TRP A 28 1.523 -7.799 -1.212 1.00 0.00 C ATOM 406 CD2 TRP A 28 3.498 -6.780 -0.871 1.00 0.00 C ATOM 407 NE1 TRP A 28 1.324 -6.610 -0.525 1.00 0.00 N ATOM 408 CE2 TRP A 28 2.510 -5.946 -0.299 1.00 0.00 C ATOM 409 CE3 TRP A 28 4.832 -6.363 -0.798 1.00 0.00 C ATOM 410 CZ2 TRP A 28 2.841 -4.744 0.328 1.00 0.00 C ATOM 411 CZ3 TRP A 28 5.172 -5.155 -0.173 1.00 0.00 C ATOM 412 CH2 TRP A 28 4.178 -4.347 0.393 1.00 0.00 C ATOM 0 H TRP A 28 1.522 -7.998 -4.186 1.00 0.00 H new ATOM 0 HA TRP A 28 3.683 -9.888 -4.175 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.393 -10.031 -1.492 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.593 -8.962 -2.190 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.747 -8.485 -1.519 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.411 -6.269 -0.224 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.608 -6.979 -1.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.068 -4.125 0.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.206 -4.846 -0.128 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.445 -3.420 0.878 1.00 0.00 H new ATOM 423 N CYS A 29 1.193 -10.560 -2.299 1.00 0.00 N ATOM 424 CA CYS A 29 0.032 -11.476 -2.129 1.00 0.00 C ATOM 425 C CYS A 29 -0.319 -11.504 -0.639 1.00 0.00 C ATOM 426 O CYS A 29 0.532 -11.734 0.198 1.00 0.00 O ATOM 427 CB CYS A 29 0.507 -12.847 -2.607 1.00 0.00 C ATOM 428 SG CYS A 29 -0.725 -13.534 -3.744 1.00 0.00 S ATOM 0 H CYS A 29 1.483 -10.083 -1.445 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.851 -11.168 -2.689 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.472 -12.758 -3.106 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.648 -13.514 -1.757 1.00 0.00 H new ATOM 433 N ASP A 30 -1.545 -11.243 -0.290 1.00 0.00 N ATOM 434 CA ASP A 30 -1.908 -11.225 1.157 1.00 0.00 C ATOM 435 C ASP A 30 -1.838 -12.634 1.754 1.00 0.00 C ATOM 436 O ASP A 30 -1.627 -13.607 1.058 1.00 0.00 O ATOM 437 CB ASP A 30 -3.337 -10.683 1.193 1.00 0.00 C ATOM 438 CG ASP A 30 -3.826 -10.616 2.641 1.00 0.00 C ATOM 439 OD1 ASP A 30 -4.252 -11.640 3.150 1.00 0.00 O ATOM 440 OD2 ASP A 30 -3.766 -9.542 3.217 1.00 0.00 O ATOM 0 H ASP A 30 -2.308 -11.042 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.224 -10.614 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.372 -9.692 0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.995 -11.324 0.606 1.00 0.00 H new ATOM 445 N ALA A 31 -2.000 -12.744 3.045 1.00 0.00 N ATOM 446 CA ALA A 31 -1.931 -14.081 3.703 1.00 0.00 C ATOM 447 C ALA A 31 -2.789 -15.104 2.954 1.00 0.00 C ATOM 448 O ALA A 31 -2.604 -16.297 3.093 1.00 0.00 O ATOM 449 CB ALA A 31 -2.479 -13.856 5.113 1.00 0.00 C ATOM 0 H ALA A 31 -2.178 -11.962 3.675 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.915 -14.476 3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.462 -14.796 5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.862 -13.121 5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.504 -13.491 5.051 1.00 0.00 H new ATOM 455 N PHE A 32 -3.727 -14.656 2.165 1.00 0.00 N ATOM 456 CA PHE A 32 -4.586 -15.619 1.422 1.00 0.00 C ATOM 457 C PHE A 32 -4.096 -15.761 -0.020 1.00 0.00 C ATOM 458 O PHE A 32 -4.266 -16.793 -0.639 1.00 0.00 O ATOM 459 CB PHE A 32 -5.987 -15.009 1.460 1.00 0.00 C ATOM 460 CG PHE A 32 -6.621 -15.291 2.801 1.00 0.00 C ATOM 461 CD1 PHE A 32 -6.754 -16.612 3.249 1.00 0.00 C ATOM 462 CD2 PHE A 32 -7.075 -14.233 3.598 1.00 0.00 C ATOM 463 CE1 PHE A 32 -7.340 -16.873 4.493 1.00 0.00 C ATOM 464 CE2 PHE A 32 -7.661 -14.495 4.842 1.00 0.00 C ATOM 465 CZ PHE A 32 -7.794 -15.815 5.289 1.00 0.00 C ATOM 0 H PHE A 32 -3.934 -13.670 2.004 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.566 -16.617 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.932 -13.934 1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.599 -15.427 0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.404 -17.429 2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.973 -13.215 3.253 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.442 -17.891 4.839 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.010 -13.679 5.457 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.247 -16.017 6.248 1.00 0.00 H new ATOM 475 N CYS A 33 -3.492 -14.737 -0.564 1.00 0.00 N ATOM 476 CA CYS A 33 -3.002 -14.832 -1.969 1.00 0.00 C ATOM 477 C CYS A 33 -4.094 -15.473 -2.826 1.00 0.00 C ATOM 478 O CYS A 33 -4.026 -16.634 -3.179 1.00 0.00 O ATOM 479 CB CYS A 33 -1.759 -15.724 -1.889 1.00 0.00 C ATOM 480 SG CYS A 33 -0.736 -15.522 -3.373 1.00 0.00 S ATOM 0 H CYS A 33 -3.318 -13.846 -0.100 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.764 -13.867 -2.416 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.178 -15.470 -1.002 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.059 -16.767 -1.786 1.00 0.00 H new ATOM 485 N SER A 34 -5.119 -14.726 -3.133 1.00 0.00 N ATOM 486 CA SER A 34 -6.245 -15.290 -3.936 1.00 0.00 C ATOM 487 C SER A 34 -6.001 -15.123 -5.438 1.00 0.00 C ATOM 488 O SER A 34 -4.991 -14.599 -5.864 1.00 0.00 O ATOM 489 CB SER A 34 -7.472 -14.487 -3.506 1.00 0.00 C ATOM 490 OG SER A 34 -8.649 -15.176 -3.907 1.00 0.00 O ATOM 0 H SER A 34 -5.227 -13.748 -2.863 1.00 0.00 H new ATOM 0 HA SER A 34 -6.362 -16.360 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.469 -14.348 -2.425 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.447 -13.494 -3.956 1.00 0.00 H new ATOM 0 HG SER A 34 -9.438 -14.664 -3.631 1.00 0.00 H new ATOM 496 N SER A 35 -6.931 -15.571 -6.241 1.00 0.00 N ATOM 497 CA SER A 35 -6.775 -15.449 -7.719 1.00 0.00 C ATOM 498 C SER A 35 -7.193 -14.052 -8.182 1.00 0.00 C ATOM 499 O SER A 35 -7.190 -13.751 -9.359 1.00 0.00 O ATOM 500 CB SER A 35 -7.710 -16.507 -8.302 1.00 0.00 C ATOM 501 OG SER A 35 -8.968 -15.912 -8.592 1.00 0.00 O ATOM 0 H SER A 35 -7.795 -16.018 -5.934 1.00 0.00 H new ATOM 0 HA SER A 35 -5.743 -15.594 -8.039 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.278 -16.932 -9.208 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.837 -17.327 -7.595 1.00 0.00 H new ATOM 0 HG SER A 35 -9.570 -16.587 -8.968 1.00 0.00 H new ATOM 507 N ARG A 36 -7.541 -13.192 -7.264 1.00 0.00 N ATOM 508 CA ARG A 36 -7.945 -11.810 -7.656 1.00 0.00 C ATOM 509 C ARG A 36 -6.696 -10.959 -7.879 1.00 0.00 C ATOM 510 O ARG A 36 -6.771 -9.762 -8.071 1.00 0.00 O ATOM 511 CB ARG A 36 -8.746 -11.264 -6.470 1.00 0.00 C ATOM 512 CG ARG A 36 -9.709 -12.330 -5.947 1.00 0.00 C ATOM 513 CD ARG A 36 -10.608 -12.817 -7.087 1.00 0.00 C ATOM 514 NE ARG A 36 -11.955 -12.261 -6.779 1.00 0.00 N ATOM 515 CZ ARG A 36 -12.787 -12.941 -6.039 1.00 0.00 C ATOM 516 NH1 ARG A 36 -12.371 -13.503 -4.937 1.00 0.00 N ATOM 517 NH2 ARG A 36 -14.036 -13.058 -6.400 1.00 0.00 N ATOM 0 H ARG A 36 -7.563 -13.385 -6.263 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.529 -11.797 -8.576 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.067 -10.955 -5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.303 -10.378 -6.775 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.149 -13.167 -5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.317 -11.920 -5.141 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.247 -12.464 -8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.632 -13.906 -7.134 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.227 -11.349 -7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.395 -13.411 -4.654 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.022 -14.035 -4.359 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.361 -12.618 -7.261 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.686 -13.590 -5.821 1.00 0.00 H new ATOM 531 N GLY A 37 -5.544 -11.569 -7.834 1.00 0.00 N ATOM 532 CA GLY A 37 -4.286 -10.802 -8.019 1.00 0.00 C ATOM 533 C GLY A 37 -3.652 -10.589 -6.648 1.00 0.00 C ATOM 534 O GLY A 37 -4.114 -11.117 -5.656 1.00 0.00 O ATOM 0 H GLY A 37 -5.422 -12.569 -7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.603 -11.344 -8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.492 -9.844 -8.496 1.00 0.00 H new ATOM 538 N LYS A 38 -2.611 -9.815 -6.569 1.00 0.00 N ATOM 539 CA LYS A 38 -1.980 -9.570 -5.254 1.00 0.00 C ATOM 540 C LYS A 38 -2.611 -8.333 -4.634 1.00 0.00 C ATOM 541 O LYS A 38 -3.817 -8.180 -4.610 1.00 0.00 O ATOM 542 CB LYS A 38 -0.502 -9.318 -5.556 1.00 0.00 C ATOM 543 CG LYS A 38 -0.001 -10.249 -6.666 1.00 0.00 C ATOM 544 CD LYS A 38 -0.627 -11.639 -6.515 1.00 0.00 C ATOM 545 CE LYS A 38 0.416 -12.708 -6.847 1.00 0.00 C ATOM 546 NZ LYS A 38 0.870 -12.381 -8.228 1.00 0.00 N ATOM 0 H LYS A 38 -2.172 -9.343 -7.359 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.108 -10.401 -4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.360 -8.280 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.089 -9.472 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.254 -9.833 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.086 -10.325 -6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.992 -11.776 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.487 -11.736 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.246 -12.683 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.014 -13.709 -6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.169 -13.252 -8.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.088 -11.944 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.670 -11.718 -8.183 1.00 0.00 H new ATOM 560 N VAL A 39 -1.806 -7.433 -4.163 1.00 0.00 N ATOM 561 CA VAL A 39 -2.348 -6.192 -3.581 1.00 0.00 C ATOM 562 C VAL A 39 -1.678 -5.014 -4.279 1.00 0.00 C ATOM 563 O VAL A 39 -1.044 -5.163 -5.304 1.00 0.00 O ATOM 564 CB VAL A 39 -1.970 -6.232 -2.094 1.00 0.00 C ATOM 565 CG1 VAL A 39 -2.922 -5.337 -1.298 1.00 0.00 C ATOM 566 CG2 VAL A 39 -2.075 -7.668 -1.568 1.00 0.00 C ATOM 0 H VAL A 39 -0.789 -7.507 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.427 -6.094 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.946 -5.876 -1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.652 -5.367 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.848 -4.312 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.945 -5.693 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.805 -7.689 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.097 -8.026 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.397 -8.311 -2.129 1.00 0.00 H new ATOM 576 N VAL A 40 -1.793 -3.861 -3.723 1.00 0.00 N ATOM 577 CA VAL A 40 -1.148 -2.664 -4.319 1.00 0.00 C ATOM 578 C VAL A 40 -0.883 -1.744 -3.159 1.00 0.00 C ATOM 579 O VAL A 40 -1.645 -0.851 -2.845 1.00 0.00 O ATOM 580 CB VAL A 40 -2.140 -2.058 -5.314 1.00 0.00 C ATOM 581 CG1 VAL A 40 -1.406 -1.751 -6.616 1.00 0.00 C ATOM 582 CG2 VAL A 40 -3.267 -3.048 -5.602 1.00 0.00 C ATOM 0 H VAL A 40 -2.314 -3.684 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.221 -2.870 -4.853 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.563 -1.147 -4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.103 -1.318 -7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.600 -1.043 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.990 -2.672 -7.025 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.967 -2.606 -6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.849 -3.961 -6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.790 -3.284 -4.675 1.00 0.00 H new ATOM 592 N GLU A 41 0.157 -2.040 -2.466 1.00 0.00 N ATOM 593 CA GLU A 41 0.473 -1.288 -1.238 1.00 0.00 C ATOM 594 C GLU A 41 1.519 -0.194 -1.472 1.00 0.00 C ATOM 595 O GLU A 41 2.660 -0.315 -1.074 1.00 0.00 O ATOM 596 CB GLU A 41 1.004 -2.358 -0.291 1.00 0.00 C ATOM 597 CG GLU A 41 0.112 -3.603 -0.362 1.00 0.00 C ATOM 598 CD GLU A 41 -0.260 -4.045 1.055 1.00 0.00 C ATOM 599 OE1 GLU A 41 0.413 -3.625 1.981 1.00 0.00 O ATOM 600 OE2 GLU A 41 -1.212 -4.797 1.189 1.00 0.00 O ATOM 0 H GLU A 41 0.816 -2.783 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.397 -0.758 -0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.028 -2.618 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.028 -1.974 0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.789 -3.386 -0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.633 -4.408 -0.881 1.00 0.00 H new ATOM 607 N LEU A 42 1.126 0.886 -2.091 1.00 0.00 N ATOM 608 CA LEU A 42 2.078 2.004 -2.319 1.00 0.00 C ATOM 609 C LEU A 42 2.316 2.744 -1.005 1.00 0.00 C ATOM 610 O LEU A 42 1.729 2.433 0.012 1.00 0.00 O ATOM 611 CB LEU A 42 1.386 2.940 -3.316 1.00 0.00 C ATOM 612 CG LEU A 42 0.622 2.144 -4.371 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.870 2.194 -4.055 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.863 2.780 -5.738 1.00 0.00 C ATOM 0 H LEU A 42 0.183 1.040 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 42 3.040 1.652 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.700 3.600 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.128 3.575 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 42 0.963 1.109 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.420 1.627 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.048 1.761 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.209 3.230 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.322 2.220 -6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.510 3.811 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.929 2.764 -5.964 1.00 0.00 H new ATOM 626 N GLY A 43 3.162 3.731 -1.024 1.00 0.00 N ATOM 627 CA GLY A 43 3.425 4.505 0.230 1.00 0.00 C ATOM 628 C GLY A 43 4.710 5.327 0.085 1.00 0.00 C ATOM 629 O GLY A 43 4.923 5.985 -0.911 1.00 0.00 O ATOM 0 H GLY A 43 3.683 4.039 -1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.584 5.166 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.515 3.823 1.075 1.00 0.00 H new ATOM 633 N CYS A 44 5.564 5.315 1.076 1.00 0.00 N ATOM 634 CA CYS A 44 6.817 6.110 0.983 1.00 0.00 C ATOM 635 C CYS A 44 8.044 5.194 0.962 1.00 0.00 C ATOM 636 O CYS A 44 7.985 4.048 1.359 1.00 0.00 O ATOM 637 CB CYS A 44 6.843 6.960 2.250 1.00 0.00 C ATOM 638 SG CYS A 44 5.218 7.698 2.548 1.00 0.00 S ATOM 0 H CYS A 44 5.445 4.789 1.942 1.00 0.00 H new ATOM 0 HA CYS A 44 6.842 6.707 0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.132 6.345 3.102 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.594 7.744 2.154 1.00 0.00 H new ATOM 643 N ALA A 45 9.161 5.703 0.518 1.00 0.00 N ATOM 644 CA ALA A 45 10.397 4.882 0.488 1.00 0.00 C ATOM 645 C ALA A 45 11.615 5.753 0.167 1.00 0.00 C ATOM 646 O ALA A 45 11.536 6.697 -0.597 1.00 0.00 O ATOM 647 CB ALA A 45 10.170 3.847 -0.612 1.00 0.00 C ATOM 0 H ALA A 45 9.267 6.657 0.174 1.00 0.00 H new ATOM 0 HA ALA A 45 10.594 4.411 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.046 3.203 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.296 3.243 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.006 4.356 -1.562 1.00 0.00 H new ATOM 653 N ALA A 46 12.740 5.441 0.753 1.00 0.00 N ATOM 654 CA ALA A 46 13.972 6.243 0.495 1.00 0.00 C ATOM 655 C ALA A 46 14.268 6.292 -1.005 1.00 0.00 C ATOM 656 O ALA A 46 14.550 7.335 -1.561 1.00 0.00 O ATOM 657 CB ALA A 46 15.086 5.501 1.233 1.00 0.00 C ATOM 0 H ALA A 46 12.859 4.663 1.401 1.00 0.00 H new ATOM 0 HA ALA A 46 13.871 7.274 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.029 6.029 1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.850 5.455 2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.174 4.489 0.837 1.00 0.00 H new ATOM 663 N THR A 47 14.204 5.168 -1.662 1.00 0.00 N ATOM 664 CA THR A 47 14.480 5.137 -3.125 1.00 0.00 C ATOM 665 C THR A 47 13.910 3.852 -3.726 1.00 0.00 C ATOM 666 O THR A 47 13.762 2.857 -3.046 1.00 0.00 O ATOM 667 CB THR A 47 16.005 5.159 -3.242 1.00 0.00 C ATOM 668 OG1 THR A 47 16.374 5.084 -4.612 1.00 0.00 O ATOM 669 CG2 THR A 47 16.595 3.968 -2.486 1.00 0.00 C ATOM 0 H THR A 47 13.971 4.266 -1.247 1.00 0.00 H new ATOM 0 HA THR A 47 14.025 5.972 -3.657 1.00 0.00 H new ATOM 0 HB THR A 47 16.389 6.084 -2.812 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.351 5.100 -4.689 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.682 3.985 -2.571 1.00 0.00 H new ATOM 0 HG22 THR A 47 16.312 4.028 -1.435 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.213 3.041 -2.913 1.00 0.00 H new ATOM 677 N CYS A 48 13.585 3.866 -4.991 1.00 0.00 N ATOM 678 CA CYS A 48 13.018 2.643 -5.633 1.00 0.00 C ATOM 679 C CYS A 48 13.741 1.391 -5.125 1.00 0.00 C ATOM 680 O CYS A 48 14.822 1.071 -5.578 1.00 0.00 O ATOM 681 CB CYS A 48 13.260 2.830 -7.132 1.00 0.00 C ATOM 682 SG CYS A 48 12.485 4.371 -7.684 1.00 0.00 S ATOM 0 H CYS A 48 13.687 4.671 -5.608 1.00 0.00 H new ATOM 0 HA CYS A 48 11.960 2.513 -5.404 1.00 0.00 H new ATOM 0 HB2 CYS A 48 14.330 2.855 -7.338 1.00 0.00 H new ATOM 0 HB3 CYS A 48 12.849 1.986 -7.685 1.00 0.00 H new ATOM 687 N PRO A 49 13.114 0.727 -4.191 1.00 0.00 N ATOM 688 CA PRO A 49 13.701 -0.501 -3.604 1.00 0.00 C ATOM 689 C PRO A 49 13.553 -1.679 -4.571 1.00 0.00 C ATOM 690 O PRO A 49 12.580 -1.786 -5.290 1.00 0.00 O ATOM 691 CB PRO A 49 12.871 -0.726 -2.344 1.00 0.00 C ATOM 692 CG PRO A 49 11.561 -0.054 -2.610 1.00 0.00 C ATOM 693 CD PRO A 49 11.811 1.055 -3.601 1.00 0.00 C ATOM 0 HA PRO A 49 14.767 -0.410 -3.397 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.735 -1.789 -2.147 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.361 -0.300 -1.469 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.839 -0.767 -3.007 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.141 0.345 -1.687 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.029 1.094 -4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.830 2.029 -3.112 1.00 0.00 H new ATOM 701 N SER A 50 14.512 -2.564 -4.594 1.00 0.00 N ATOM 702 CA SER A 50 14.426 -3.733 -5.515 1.00 0.00 C ATOM 703 C SER A 50 15.139 -4.944 -4.908 1.00 0.00 C ATOM 704 O SER A 50 15.402 -5.922 -5.579 1.00 0.00 O ATOM 705 CB SER A 50 15.133 -3.281 -6.790 1.00 0.00 C ATOM 706 OG SER A 50 14.707 -4.092 -7.877 1.00 0.00 O ATOM 0 H SER A 50 15.351 -2.528 -4.015 1.00 0.00 H new ATOM 0 HA SER A 50 13.396 -4.035 -5.702 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.908 -2.234 -6.993 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.213 -3.357 -6.667 1.00 0.00 H new ATOM 0 HG SER A 50 14.775 -5.037 -7.627 1.00 0.00 H new ATOM 712 N LYS A 51 15.456 -4.888 -3.643 1.00 0.00 N ATOM 713 CA LYS A 51 16.154 -6.037 -2.998 1.00 0.00 C ATOM 714 C LYS A 51 15.135 -7.075 -2.517 1.00 0.00 C ATOM 715 O LYS A 51 15.078 -7.410 -1.351 1.00 0.00 O ATOM 716 CB LYS A 51 16.909 -5.431 -1.814 1.00 0.00 C ATOM 717 CG LYS A 51 15.914 -4.796 -0.840 1.00 0.00 C ATOM 718 CD LYS A 51 16.526 -4.762 0.562 1.00 0.00 C ATOM 719 CE LYS A 51 17.944 -4.189 0.487 1.00 0.00 C ATOM 720 NZ LYS A 51 18.034 -3.236 1.627 1.00 0.00 N ATOM 0 H LYS A 51 15.262 -4.097 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 51 16.825 -6.551 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.488 -6.202 -1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 51 17.617 -4.681 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.665 -3.786 -1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.985 -5.366 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.911 -4.153 1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.550 -5.767 0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.693 -4.976 0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 51 18.116 -3.685 -0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.979 -2.802 1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 17.314 -2.494 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.872 -3.746 2.519 1.00 0.00 H new ATOM 734 N LYS A 52 14.336 -7.590 -3.411 1.00 0.00 N ATOM 735 CA LYS A 52 13.326 -8.610 -3.017 1.00 0.00 C ATOM 736 C LYS A 52 13.032 -9.518 -4.211 1.00 0.00 C ATOM 737 O LYS A 52 12.208 -9.203 -5.046 1.00 0.00 O ATOM 738 CB LYS A 52 12.081 -7.816 -2.622 1.00 0.00 C ATOM 739 CG LYS A 52 12.337 -7.079 -1.305 1.00 0.00 C ATOM 740 CD LYS A 52 12.638 -8.094 -0.201 1.00 0.00 C ATOM 741 CE LYS A 52 12.720 -7.374 1.147 1.00 0.00 C ATOM 742 NZ LYS A 52 14.001 -7.833 1.751 1.00 0.00 N ATOM 0 H LYS A 52 14.340 -7.346 -4.401 1.00 0.00 H new ATOM 0 HA LYS A 52 13.667 -9.244 -2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.829 -7.102 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.229 -8.487 -2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.174 -6.390 -1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.467 -6.481 -1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.859 -8.856 -0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.577 -8.606 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.710 -6.292 1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.871 -7.627 1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.128 -7.382 2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.979 -8.866 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.792 -7.572 1.128 1.00 0.00 H new ATOM 756 N PRO A 53 13.733 -10.616 -4.251 1.00 0.00 N ATOM 757 CA PRO A 53 13.572 -11.597 -5.358 1.00 0.00 C ATOM 758 C PRO A 53 12.189 -12.279 -5.358 1.00 0.00 C ATOM 759 O PRO A 53 11.940 -13.171 -6.145 1.00 0.00 O ATOM 760 CB PRO A 53 14.694 -12.601 -5.103 1.00 0.00 C ATOM 761 CG PRO A 53 14.995 -12.482 -3.645 1.00 0.00 C ATOM 762 CD PRO A 53 14.743 -11.045 -3.279 1.00 0.00 C ATOM 0 HA PRO A 53 13.630 -11.123 -6.338 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.384 -13.614 -5.361 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.572 -12.373 -5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.361 -13.149 -3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.028 -12.761 -3.437 1.00 0.00 H new ATOM 0 HD2 PRO A 53 14.381 -10.949 -2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.651 -10.447 -3.353 1.00 0.00 H new ATOM 770 N TYR A 54 11.282 -11.867 -4.511 1.00 0.00 N ATOM 771 CA TYR A 54 9.923 -12.498 -4.507 1.00 0.00 C ATOM 772 C TYR A 54 8.848 -11.411 -4.440 1.00 0.00 C ATOM 773 O TYR A 54 7.674 -11.692 -4.295 1.00 0.00 O ATOM 774 CB TYR A 54 9.857 -13.393 -3.258 1.00 0.00 C ATOM 775 CG TYR A 54 10.736 -12.833 -2.166 1.00 0.00 C ATOM 776 CD1 TYR A 54 12.120 -12.980 -2.255 1.00 0.00 C ATOM 777 CD2 TYR A 54 10.168 -12.166 -1.075 1.00 0.00 C ATOM 778 CE1 TYR A 54 12.945 -12.461 -1.255 1.00 0.00 C ATOM 779 CE2 TYR A 54 10.993 -11.644 -0.071 1.00 0.00 C ATOM 780 CZ TYR A 54 12.382 -11.790 -0.161 1.00 0.00 C ATOM 781 OH TYR A 54 13.197 -11.276 0.827 1.00 0.00 O ATOM 0 H TYR A 54 11.419 -11.125 -3.824 1.00 0.00 H new ATOM 0 HA TYR A 54 9.752 -13.081 -5.412 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.828 -13.463 -2.906 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.177 -14.404 -3.509 1.00 0.00 H new ATOM 0 HD1 TYR A 54 12.554 -13.496 -3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.096 -12.054 -1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 54 14.017 -12.577 -1.325 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.558 -11.129 0.772 1.00 0.00 H new ATOM 0 HH TYR A 54 12.647 -10.841 1.512 1.00 0.00 H new ATOM 791 N GLU A 55 9.241 -10.171 -4.544 1.00 0.00 N ATOM 792 CA GLU A 55 8.243 -9.064 -4.486 1.00 0.00 C ATOM 793 C GLU A 55 8.441 -8.108 -5.665 1.00 0.00 C ATOM 794 O GLU A 55 9.405 -8.200 -6.399 1.00 0.00 O ATOM 795 CB GLU A 55 8.525 -8.348 -3.167 1.00 0.00 C ATOM 796 CG GLU A 55 8.210 -9.285 -1.999 1.00 0.00 C ATOM 797 CD GLU A 55 8.500 -8.572 -0.677 1.00 0.00 C ATOM 798 OE1 GLU A 55 9.618 -8.115 -0.506 1.00 0.00 O ATOM 799 OE2 GLU A 55 7.599 -8.497 0.142 1.00 0.00 O ATOM 0 H GLU A 55 10.210 -9.876 -4.667 1.00 0.00 H new ATOM 0 HA GLU A 55 7.218 -9.430 -4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.569 -8.037 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.920 -7.444 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.165 -9.591 -2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.811 -10.191 -2.074 1.00 0.00 H new ATOM 806 N GLU A 56 7.535 -7.186 -5.849 1.00 0.00 N ATOM 807 CA GLU A 56 7.669 -6.219 -6.976 1.00 0.00 C ATOM 808 C GLU A 56 7.249 -4.821 -6.515 1.00 0.00 C ATOM 809 O GLU A 56 6.078 -4.533 -6.364 1.00 0.00 O ATOM 810 CB GLU A 56 6.720 -6.737 -8.057 1.00 0.00 C ATOM 811 CG GLU A 56 7.526 -7.443 -9.149 1.00 0.00 C ATOM 812 CD GLU A 56 6.583 -8.271 -10.024 1.00 0.00 C ATOM 813 OE1 GLU A 56 5.382 -8.111 -9.881 1.00 0.00 O ATOM 814 OE2 GLU A 56 7.078 -9.051 -10.821 1.00 0.00 O ATOM 0 H GLU A 56 6.707 -7.061 -5.267 1.00 0.00 H new ATOM 0 HA GLU A 56 8.694 -6.142 -7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.997 -7.426 -7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.154 -5.910 -8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.054 -6.709 -9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.282 -8.087 -8.699 1.00 0.00 H new ATOM 821 N VAL A 57 8.194 -3.951 -6.284 1.00 0.00 N ATOM 822 CA VAL A 57 7.842 -2.576 -5.827 1.00 0.00 C ATOM 823 C VAL A 57 8.175 -1.549 -6.917 1.00 0.00 C ATOM 824 O VAL A 57 8.874 -1.843 -7.866 1.00 0.00 O ATOM 825 CB VAL A 57 8.695 -2.346 -4.580 1.00 0.00 C ATOM 826 CG1 VAL A 57 10.138 -2.757 -4.865 1.00 0.00 C ATOM 827 CG2 VAL A 57 8.651 -0.865 -4.195 1.00 0.00 C ATOM 0 H VAL A 57 9.192 -4.132 -6.391 1.00 0.00 H new ATOM 0 HA VAL A 57 6.778 -2.468 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 57 8.303 -2.945 -3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.746 -2.593 -3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.169 -3.812 -5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.531 -2.160 -5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.260 -0.702 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.041 -0.264 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.621 -0.573 -3.988 1.00 0.00 H new ATOM 837 N THR A 58 7.680 -0.347 -6.785 1.00 0.00 N ATOM 838 CA THR A 58 7.964 0.700 -7.807 1.00 0.00 C ATOM 839 C THR A 58 8.154 2.050 -7.117 1.00 0.00 C ATOM 840 O THR A 58 8.414 2.116 -5.933 1.00 0.00 O ATOM 841 CB THR A 58 6.730 0.725 -8.712 1.00 0.00 C ATOM 842 OG1 THR A 58 5.961 -0.451 -8.496 1.00 0.00 O ATOM 843 CG2 THR A 58 7.170 0.786 -10.176 1.00 0.00 C ATOM 0 H THR A 58 7.089 -0.045 -6.010 1.00 0.00 H new ATOM 0 HA THR A 58 8.871 0.495 -8.375 1.00 0.00 H new ATOM 0 HB THR A 58 6.126 1.602 -8.479 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.170 -0.435 -9.074 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.291 0.804 -10.820 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.759 1.688 -10.342 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.774 -0.090 -10.411 1.00 0.00 H new ATOM 851 N CYS A 59 8.019 3.130 -7.837 1.00 0.00 N ATOM 852 CA CYS A 59 8.191 4.464 -7.195 1.00 0.00 C ATOM 853 C CYS A 59 7.110 5.435 -7.637 1.00 0.00 C ATOM 854 O CYS A 59 6.260 5.131 -8.449 1.00 0.00 O ATOM 855 CB CYS A 59 9.524 4.997 -7.690 1.00 0.00 C ATOM 856 SG CYS A 59 10.837 4.544 -6.529 1.00 0.00 S ATOM 0 H CYS A 59 7.799 3.147 -8.833 1.00 0.00 H new ATOM 0 HA CYS A 59 8.139 4.365 -6.111 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.744 4.591 -8.678 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.476 6.081 -7.794 1.00 0.00 H new ATOM 861 N CYS A 60 7.180 6.624 -7.122 1.00 0.00 N ATOM 862 CA CYS A 60 6.207 7.672 -7.513 1.00 0.00 C ATOM 863 C CYS A 60 6.662 9.014 -6.927 1.00 0.00 C ATOM 864 O CYS A 60 6.775 9.172 -5.730 1.00 0.00 O ATOM 865 CB CYS A 60 4.845 7.181 -6.970 1.00 0.00 C ATOM 866 SG CYS A 60 3.907 8.497 -6.130 1.00 0.00 S ATOM 0 H CYS A 60 7.878 6.918 -6.439 1.00 0.00 H new ATOM 0 HA CYS A 60 6.129 7.833 -8.588 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.251 6.787 -7.794 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.011 6.358 -6.275 1.00 0.00 H new ATOM 871 N SER A 61 6.945 9.977 -7.766 1.00 0.00 N ATOM 872 CA SER A 61 7.420 11.295 -7.251 1.00 0.00 C ATOM 873 C SER A 61 6.432 12.426 -7.577 1.00 0.00 C ATOM 874 O SER A 61 6.521 13.504 -7.022 1.00 0.00 O ATOM 875 CB SER A 61 8.749 11.534 -7.966 1.00 0.00 C ATOM 876 OG SER A 61 8.597 11.243 -9.349 1.00 0.00 O ATOM 0 H SER A 61 6.868 9.908 -8.781 1.00 0.00 H new ATOM 0 HA SER A 61 7.517 11.285 -6.165 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.066 12.568 -7.833 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.526 10.904 -7.533 1.00 0.00 H new ATOM 0 HG SER A 61 9.447 11.397 -9.811 1.00 0.00 H new ATOM 882 N THR A 62 5.496 12.210 -8.465 1.00 0.00 N ATOM 883 CA THR A 62 4.534 13.306 -8.791 1.00 0.00 C ATOM 884 C THR A 62 3.545 13.496 -7.639 1.00 0.00 C ATOM 885 O THR A 62 3.501 12.715 -6.710 1.00 0.00 O ATOM 886 CB THR A 62 3.803 12.851 -10.058 1.00 0.00 C ATOM 887 OG1 THR A 62 4.584 11.876 -10.736 1.00 0.00 O ATOM 888 CG2 THR A 62 3.578 14.053 -10.976 1.00 0.00 C ATOM 0 H THR A 62 5.356 11.336 -8.972 1.00 0.00 H new ATOM 0 HA THR A 62 5.039 14.260 -8.943 1.00 0.00 H new ATOM 0 HB THR A 62 2.841 12.417 -9.784 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.114 11.585 -11.545 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.058 13.730 -11.878 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.976 14.799 -10.457 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.540 14.488 -11.248 1.00 0.00 H new ATOM 896 N ASP A 63 2.751 14.530 -7.689 1.00 0.00 N ATOM 897 CA ASP A 63 1.768 14.766 -6.594 1.00 0.00 C ATOM 898 C ASP A 63 0.827 13.566 -6.465 1.00 0.00 C ATOM 899 O ASP A 63 0.132 13.209 -7.396 1.00 0.00 O ATOM 900 CB ASP A 63 0.994 16.014 -7.019 1.00 0.00 C ATOM 901 CG ASP A 63 1.690 17.259 -6.469 1.00 0.00 C ATOM 902 OD1 ASP A 63 2.562 17.775 -7.149 1.00 0.00 O ATOM 903 OD2 ASP A 63 1.340 17.676 -5.377 1.00 0.00 O ATOM 0 H ASP A 63 2.740 15.221 -8.439 1.00 0.00 H new ATOM 0 HA ASP A 63 2.250 14.898 -5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.937 16.067 -8.106 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.030 15.963 -6.648 1.00 0.00 H new ATOM 908 N LYS A 64 0.796 12.940 -5.320 1.00 0.00 N ATOM 909 CA LYS A 64 -0.104 11.766 -5.141 1.00 0.00 C ATOM 910 C LYS A 64 -0.007 10.832 -6.353 1.00 0.00 C ATOM 911 O LYS A 64 -1.002 10.469 -6.949 1.00 0.00 O ATOM 912 CB LYS A 64 -1.507 12.363 -5.031 1.00 0.00 C ATOM 913 CG LYS A 64 -1.531 13.405 -3.910 1.00 0.00 C ATOM 914 CD LYS A 64 -2.967 13.879 -3.681 1.00 0.00 C ATOM 915 CE LYS A 64 -3.026 15.405 -3.792 1.00 0.00 C ATOM 916 NZ LYS A 64 -3.452 15.872 -2.443 1.00 0.00 N ATOM 0 H LYS A 64 1.353 13.190 -4.503 1.00 0.00 H new ATOM 0 HA LYS A 64 0.158 11.172 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.793 12.824 -5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.234 11.577 -4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.128 12.976 -2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.896 14.251 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.632 13.425 -4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.313 13.562 -2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.055 15.819 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.733 15.718 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.516 16.910 -2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.382 15.467 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.756 15.565 -1.734 1.00 0.00 H new ATOM 930 N CYS A 65 1.183 10.434 -6.716 1.00 0.00 N ATOM 931 CA CYS A 65 1.330 9.511 -7.887 1.00 0.00 C ATOM 932 C CYS A 65 1.295 8.054 -7.421 1.00 0.00 C ATOM 933 O CYS A 65 1.866 7.180 -8.041 1.00 0.00 O ATOM 934 CB CYS A 65 2.671 9.832 -8.565 1.00 0.00 C ATOM 935 SG CYS A 65 3.983 10.099 -7.350 1.00 0.00 S ATOM 0 H CYS A 65 2.054 10.703 -6.259 1.00 0.00 H new ATOM 0 HA CYS A 65 0.509 9.650 -8.591 1.00 0.00 H new ATOM 0 HB2 CYS A 65 2.949 9.013 -9.228 1.00 0.00 H new ATOM 0 HB3 CYS A 65 2.562 10.722 -9.185 1.00 0.00 H new ATOM 940 N ASN A 66 0.625 7.786 -6.330 1.00 0.00 N ATOM 941 CA ASN A 66 0.552 6.387 -5.825 1.00 0.00 C ATOM 942 C ASN A 66 -0.849 5.760 -6.021 1.00 0.00 C ATOM 943 O ASN A 66 -1.217 4.878 -5.270 1.00 0.00 O ATOM 944 CB ASN A 66 0.859 6.515 -4.329 1.00 0.00 C ATOM 945 CG ASN A 66 2.200 5.860 -4.004 1.00 0.00 C ATOM 946 OD1 ASN A 66 2.407 5.395 -2.901 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.131 5.815 -4.912 1.00 0.00 N ATOM 0 H ASN A 66 0.126 8.477 -5.769 1.00 0.00 H new ATOM 0 HA ASN A 66 1.242 5.737 -6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.882 7.567 -4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.067 6.045 -3.747 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.033 5.390 -4.697 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.959 6.205 -5.839 1.00 0.00 H new ATOM 954 N PRO A 67 -1.600 6.212 -7.007 1.00 0.00 N ATOM 955 CA PRO A 67 -2.948 5.639 -7.228 1.00 0.00 C ATOM 956 C PRO A 67 -2.834 4.312 -7.973 1.00 0.00 C ATOM 957 O PRO A 67 -2.906 4.270 -9.186 1.00 0.00 O ATOM 958 CB PRO A 67 -3.644 6.675 -8.101 1.00 0.00 C ATOM 959 CG PRO A 67 -2.544 7.389 -8.819 1.00 0.00 C ATOM 960 CD PRO A 67 -1.293 7.263 -7.985 1.00 0.00 C ATOM 0 HA PRO A 67 -3.485 5.438 -6.301 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.329 6.201 -8.804 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.233 7.366 -7.498 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.389 6.957 -9.808 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.801 8.438 -8.966 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.434 6.994 -8.599 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.050 8.204 -7.492 1.00 0.00 H new ATOM 968 N HIS A 68 -2.647 3.229 -7.270 1.00 0.00 N ATOM 969 CA HIS A 68 -2.525 1.919 -7.964 1.00 0.00 C ATOM 970 C HIS A 68 -3.585 1.812 -9.062 1.00 0.00 C ATOM 971 O HIS A 68 -4.517 2.588 -9.093 1.00 0.00 O ATOM 972 CB HIS A 68 -2.729 0.848 -6.887 1.00 0.00 C ATOM 973 CG HIS A 68 -4.013 1.063 -6.133 1.00 0.00 C ATOM 974 ND1 HIS A 68 -5.022 0.115 -6.134 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.459 2.083 -5.326 1.00 0.00 C ATOM 976 CE1 HIS A 68 -6.015 0.576 -5.358 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.726 1.772 -4.840 1.00 0.00 N ATOM 0 H HIS A 68 -2.574 3.195 -6.253 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.555 1.799 -8.447 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.739 -0.139 -7.350 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.890 0.865 -6.191 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.911 2.986 -5.103 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.937 0.044 -5.175 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.308 2.336 -4.221 1.00 0.00 H new ATOM 985 N PRO A 69 -3.392 0.862 -9.940 1.00 0.00 N ATOM 986 CA PRO A 69 -4.336 0.662 -11.067 1.00 0.00 C ATOM 987 C PRO A 69 -5.622 -0.011 -10.582 1.00 0.00 C ATOM 988 O PRO A 69 -5.868 -1.167 -10.855 1.00 0.00 O ATOM 989 CB PRO A 69 -3.570 -0.252 -12.017 1.00 0.00 C ATOM 990 CG PRO A 69 -2.587 -0.981 -11.155 1.00 0.00 C ATOM 991 CD PRO A 69 -2.288 -0.104 -9.965 1.00 0.00 C ATOM 0 HA PRO A 69 -4.644 1.597 -11.536 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.242 -0.946 -12.522 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.063 0.322 -12.793 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -2.996 -1.938 -10.832 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.675 -1.196 -11.712 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.247 -0.685 -9.043 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.325 0.395 -10.071 1.00 0.00 H new ATOM 999 N LYS A 70 -6.444 0.710 -9.871 1.00 0.00 N ATOM 1000 CA LYS A 70 -7.716 0.124 -9.367 1.00 0.00 C ATOM 1001 C LYS A 70 -8.589 1.232 -8.780 1.00 0.00 C ATOM 1002 O LYS A 70 -8.515 1.527 -7.606 1.00 0.00 O ATOM 1003 CB LYS A 70 -7.301 -0.848 -8.256 1.00 0.00 C ATOM 1004 CG LYS A 70 -7.222 -2.294 -8.768 1.00 0.00 C ATOM 1005 CD LYS A 70 -8.384 -2.611 -9.720 1.00 0.00 C ATOM 1006 CE LYS A 70 -9.704 -2.102 -9.127 1.00 0.00 C ATOM 1007 NZ LYS A 70 -10.281 -1.203 -10.166 1.00 0.00 N ATOM 0 H LYS A 70 -6.288 1.685 -9.616 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.283 -0.372 -10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.332 -0.550 -7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.017 -0.791 -7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.274 -2.449 -9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.242 -2.983 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.208 -2.145 -10.689 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.443 -3.686 -9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.379 -2.928 -8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.535 -1.566 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.439 -0.259 -9.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.621 -1.129 -10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.186 -1.593 -10.498 1.00 0.00 H new ATOM 1021 N GLN A 71 -9.412 1.848 -9.579 1.00 0.00 N ATOM 1022 CA GLN A 71 -10.285 2.933 -9.047 1.00 0.00 C ATOM 1023 C GLN A 71 -11.745 2.655 -9.413 1.00 0.00 C ATOM 1024 O GLN A 71 -12.453 3.519 -9.891 1.00 0.00 O ATOM 1025 CB GLN A 71 -9.789 4.213 -9.719 1.00 0.00 C ATOM 1026 CG GLN A 71 -8.299 4.397 -9.428 1.00 0.00 C ATOM 1027 CD GLN A 71 -8.128 5.417 -8.303 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -8.057 5.002 -7.070 1.00 0.00 O flip ATOM 1029 NE2 GLN A 71 -8.059 6.604 -8.550 1.00 0.00 N flip ATOM 0 H GLN A 71 -9.519 1.650 -10.574 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.239 3.008 -7.961 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.957 4.160 -10.795 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.351 5.071 -9.351 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.852 3.445 -9.143 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.781 4.737 -10.325 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.115 6.928 -9.516 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.945 7.277 -7.792 1.00 0.00 H new ATOM 1038 N ARG A 72 -12.199 1.452 -9.190 1.00 0.00 N ATOM 1039 CA ARG A 72 -13.613 1.112 -9.522 1.00 0.00 C ATOM 1040 C ARG A 72 -13.922 -0.327 -9.098 1.00 0.00 C ATOM 1041 O ARG A 72 -13.326 -1.261 -9.596 1.00 0.00 O ATOM 1042 CB ARG A 72 -13.707 1.253 -11.041 1.00 0.00 C ATOM 1043 CG ARG A 72 -14.904 2.137 -11.397 1.00 0.00 C ATOM 1044 CD ARG A 72 -14.941 2.358 -12.911 1.00 0.00 C ATOM 1045 NE ARG A 72 -15.484 3.734 -13.083 1.00 0.00 N ATOM 1046 CZ ARG A 72 -14.927 4.554 -13.932 1.00 0.00 C ATOM 1047 NH1 ARG A 72 -13.714 4.988 -13.721 1.00 0.00 N ATOM 1048 NH2 ARG A 72 -15.583 4.941 -14.991 1.00 0.00 N ATOM 0 H ARG A 72 -11.652 0.689 -8.792 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.326 1.757 -9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -12.789 1.690 -11.434 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.816 0.271 -11.502 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.829 1.666 -11.064 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.830 3.094 -10.880 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.947 2.268 -13.348 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.573 1.619 -13.403 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.291 4.036 -12.537 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.201 4.686 -12.892 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.279 5.629 -14.385 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.531 4.603 -15.155 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.148 5.582 -15.655 1.00 0.00 H new ATOM 1062 N PRO A 73 -14.850 -0.458 -8.187 1.00 0.00 N ATOM 1063 CA PRO A 73 -15.245 -1.799 -7.690 1.00 0.00 C ATOM 1064 C PRO A 73 -16.036 -2.554 -8.761 1.00 0.00 C ATOM 1065 O PRO A 73 -16.964 -2.030 -9.345 1.00 0.00 O ATOM 1066 CB PRO A 73 -16.123 -1.489 -6.481 1.00 0.00 C ATOM 1067 CG PRO A 73 -16.652 -0.113 -6.732 1.00 0.00 C ATOM 1068 CD PRO A 73 -15.612 0.617 -7.541 1.00 0.00 C ATOM 0 HA PRO A 73 -14.393 -2.432 -7.440 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -16.933 -2.212 -6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.549 -1.529 -5.555 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.599 -0.156 -7.270 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -16.843 0.404 -5.792 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -16.070 1.280 -8.276 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.974 1.234 -6.908 1.00 0.00 H new ATOM 1076 N GLY A 74 -15.676 -3.780 -9.024 1.00 0.00 N ATOM 1077 CA GLY A 74 -16.408 -4.566 -10.057 1.00 0.00 C ATOM 1078 C GLY A 74 -15.456 -4.915 -11.203 1.00 0.00 C ATOM 1079 O GLY A 74 -14.918 -3.997 -11.801 1.00 0.00 O ATOM 1080 OXT GLY A 74 -15.280 -6.094 -11.462 1.00 0.00 O ATOM 0 H GLY A 74 -14.907 -4.271 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.813 -5.477 -9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.254 -3.991 -10.435 1.00 0.00 H new TER 1084 GLY A 74 ATOM 1085 N MET B 1 -12.626 -6.472 -0.656 1.00 0.00 N ATOM 1086 CA MET B 1 -12.268 -6.227 0.771 1.00 0.00 C ATOM 1087 C MET B 1 -10.841 -5.683 0.872 1.00 0.00 C ATOM 1088 O MET B 1 -10.052 -6.133 1.678 1.00 0.00 O ATOM 1089 CB MET B 1 -12.363 -7.599 1.442 1.00 0.00 C ATOM 1090 CG MET B 1 -13.006 -7.451 2.822 1.00 0.00 C ATOM 1091 SD MET B 1 -12.214 -8.594 3.981 1.00 0.00 S ATOM 1092 CE MET B 1 -13.730 -9.265 4.705 1.00 0.00 C ATOM 0 H1 MET B 1 -13.623 -6.760 -0.719 1.00 0.00 H new ATOM 0 H2 MET B 1 -12.482 -5.600 -1.205 1.00 0.00 H new ATOM 0 H3 MET B 1 -12.023 -7.227 -1.041 1.00 0.00 H new ATOM 0 HA MET B 1 -12.923 -5.494 1.241 1.00 0.00 H new ATOM 0 HB2 MET B 1 -12.953 -8.277 0.825 1.00 0.00 H new ATOM 0 HB3 MET B 1 -11.370 -8.038 1.537 1.00 0.00 H new ATOM 0 HG2 MET B 1 -12.901 -6.426 3.176 1.00 0.00 H new ATOM 0 HG3 MET B 1 -14.074 -7.659 2.762 1.00 0.00 H new ATOM 0 HE1 MET B 1 -13.474 -10.006 5.462 1.00 0.00 H new ATOM 0 HE2 MET B 1 -14.302 -8.459 5.165 1.00 0.00 H new ATOM 0 HE3 MET B 1 -14.329 -9.735 3.925 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.499 -4.723 0.055 1.00 0.00 N ATOM 1105 CA ARG B 2 -9.116 -4.164 0.107 1.00 0.00 C ATOM 1106 C ARG B 2 -8.876 -3.204 -1.052 1.00 0.00 C ATOM 1107 O ARG B 2 -9.684 -3.076 -1.951 1.00 0.00 O ATOM 1108 CB ARG B 2 -8.192 -5.378 -0.071 1.00 0.00 C ATOM 1109 CG ARG B 2 -7.126 -5.379 1.026 1.00 0.00 C ATOM 1110 CD ARG B 2 -6.649 -6.813 1.271 1.00 0.00 C ATOM 1111 NE ARG B 2 -7.212 -7.183 2.598 1.00 0.00 N ATOM 1112 CZ ARG B 2 -6.868 -6.511 3.662 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -5.629 -6.133 3.823 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -7.762 -6.216 4.565 1.00 0.00 N ATOM 0 H ARG B 2 -11.113 -4.303 -0.643 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.945 -3.619 1.035 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -8.773 -6.299 -0.028 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -7.718 -5.346 -1.052 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.286 -4.750 0.732 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.534 -4.958 1.945 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -7.003 -7.486 0.490 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -5.561 -6.872 1.273 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.866 -7.962 2.676 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -4.930 -6.363 3.117 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -5.360 -5.608 4.655 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.730 -6.511 4.439 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -7.493 -5.691 5.397 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.726 -2.596 -1.075 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.370 -1.718 -2.220 1.00 0.00 C ATOM 1130 C TYR B 3 -6.508 -2.589 -3.111 1.00 0.00 C ATOM 1131 O TYR B 3 -5.445 -2.213 -3.562 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.553 -0.528 -1.682 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.585 -0.478 -0.171 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -5.639 -1.197 0.568 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -7.553 0.288 0.488 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -5.662 -1.152 1.965 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -7.574 0.335 1.885 1.00 0.00 C ATOM 1138 CZ TYR B 3 -6.628 -0.386 2.623 1.00 0.00 C ATOM 1139 OH TYR B 3 -6.643 -0.336 3.998 1.00 0.00 O ATOM 0 H TYR B 3 -7.015 -2.670 -0.348 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.234 -1.323 -2.754 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.521 -0.609 -2.024 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.951 0.402 -2.087 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.891 -1.787 0.059 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -8.283 0.843 -0.082 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -4.934 -1.709 2.536 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.320 0.927 2.395 1.00 0.00 H new ATOM 0 HH TYR B 3 -7.416 0.187 4.298 1.00 0.00 H new ATOM 1149 N TYR B 4 -6.969 -3.790 -3.314 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.216 -4.776 -4.116 1.00 0.00 C ATOM 1151 C TYR B 4 -6.152 -4.348 -5.568 1.00 0.00 C ATOM 1152 O TYR B 4 -6.447 -3.226 -5.927 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.056 -6.052 -4.014 1.00 0.00 C ATOM 1154 CG TYR B 4 -6.322 -7.122 -3.246 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -5.566 -6.790 -2.117 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -6.412 -8.457 -3.662 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -4.898 -7.793 -1.404 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -5.746 -9.459 -2.950 1.00 0.00 C ATOM 1159 CZ TYR B 4 -4.987 -9.128 -1.821 1.00 0.00 C ATOM 1160 OH TYR B 4 -4.328 -10.116 -1.117 1.00 0.00 O ATOM 0 H TYR B 4 -7.857 -4.132 -2.947 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.191 -4.894 -3.764 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.003 -5.830 -3.521 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -7.295 -6.416 -5.014 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -5.498 -5.761 -1.796 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -6.996 -8.712 -4.534 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -4.314 -7.538 -0.532 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -5.817 -10.488 -3.271 1.00 0.00 H new ATOM 0 HH TYR B 4 -4.495 -10.985 -1.539 1.00 0.00 H new ATOM 1170 N GLU B 5 -5.786 -5.264 -6.398 1.00 0.00 N ATOM 1171 CA GLU B 5 -5.710 -4.973 -7.857 1.00 0.00 C ATOM 1172 C GLU B 5 -7.086 -5.199 -8.499 1.00 0.00 C ATOM 1173 O GLU B 5 -7.208 -5.375 -9.695 1.00 0.00 O ATOM 1174 CB GLU B 5 -4.679 -5.957 -8.407 1.00 0.00 C ATOM 1175 CG GLU B 5 -4.715 -5.936 -9.937 1.00 0.00 C ATOM 1176 CD GLU B 5 -3.301 -6.137 -10.486 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -2.744 -7.198 -10.259 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -2.801 -5.226 -11.125 1.00 0.00 O ATOM 0 H GLU B 5 -5.531 -6.216 -6.134 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.425 -3.942 -8.067 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -3.683 -5.692 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.890 -6.962 -8.042 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -5.374 -6.721 -10.306 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -5.121 -4.987 -10.288 1.00 0.00 H new ATOM 1185 N SER B 6 -8.122 -5.183 -7.702 1.00 0.00 N ATOM 1186 CA SER B 6 -9.499 -5.382 -8.236 1.00 0.00 C ATOM 1187 C SER B 6 -10.500 -4.633 -7.350 1.00 0.00 C ATOM 1188 O SER B 6 -11.625 -5.054 -7.169 1.00 0.00 O ATOM 1189 CB SER B 6 -9.740 -6.889 -8.166 1.00 0.00 C ATOM 1190 OG SER B 6 -9.832 -7.286 -6.804 1.00 0.00 O ATOM 0 H SER B 6 -8.071 -5.039 -6.694 1.00 0.00 H new ATOM 0 HA SER B 6 -9.616 -5.005 -9.252 1.00 0.00 H new ATOM 0 HB2 SER B 6 -10.657 -7.147 -8.695 1.00 0.00 H new ATOM 0 HB3 SER B 6 -8.927 -7.422 -8.658 1.00 0.00 H new ATOM 0 HG SER B 6 -9.988 -8.252 -6.755 1.00 0.00 H new ATOM 1196 N SER B 7 -10.090 -3.523 -6.792 1.00 0.00 N ATOM 1197 CA SER B 7 -11.004 -2.737 -5.911 1.00 0.00 C ATOM 1198 C SER B 7 -10.237 -1.585 -5.252 1.00 0.00 C ATOM 1199 O SER B 7 -9.022 -1.553 -5.258 1.00 0.00 O ATOM 1200 CB SER B 7 -11.485 -3.731 -4.856 1.00 0.00 C ATOM 1201 OG SER B 7 -10.475 -4.705 -4.635 1.00 0.00 O ATOM 0 H SER B 7 -9.158 -3.126 -6.909 1.00 0.00 H new ATOM 0 HA SER B 7 -11.833 -2.294 -6.463 1.00 0.00 H new ATOM 0 HB2 SER B 7 -11.714 -3.210 -3.926 1.00 0.00 H new ATOM 0 HB3 SER B 7 -12.405 -4.213 -5.186 1.00 0.00 H new ATOM 0 HG SER B 7 -10.009 -4.508 -3.796 1.00 0.00 H new ATOM 1207 N LEU B 8 -10.935 -0.635 -4.687 1.00 0.00 N ATOM 1208 CA LEU B 8 -10.239 0.515 -4.036 1.00 0.00 C ATOM 1209 C LEU B 8 -10.288 0.403 -2.508 1.00 0.00 C ATOM 1210 O LEU B 8 -9.272 0.321 -1.849 1.00 0.00 O ATOM 1211 CB LEU B 8 -11.012 1.755 -4.492 1.00 0.00 C ATOM 1212 CG LEU B 8 -10.205 2.514 -5.546 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -10.872 3.862 -5.825 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -8.780 2.749 -5.036 1.00 0.00 C ATOM 0 H LEU B 8 -11.954 -0.605 -4.648 1.00 0.00 H new ATOM 0 HA LEU B 8 -9.185 0.550 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -11.978 1.461 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -11.213 2.403 -3.639 1.00 0.00 H new ATOM 0 HG LEU B 8 -10.168 1.926 -6.463 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -10.297 4.404 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -11.885 3.698 -6.192 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -10.910 4.447 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -8.208 3.290 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -8.814 3.335 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -8.302 1.790 -4.837 1.00 0.00 H new ATOM 1226 N LYS B 9 -11.463 0.421 -1.944 1.00 0.00 N ATOM 1227 CA LYS B 9 -11.587 0.343 -0.457 1.00 0.00 C ATOM 1228 C LYS B 9 -11.777 -1.103 0.003 1.00 0.00 C ATOM 1229 O LYS B 9 -11.602 -2.040 -0.751 1.00 0.00 O ATOM 1230 CB LYS B 9 -12.834 1.163 -0.112 1.00 0.00 C ATOM 1231 CG LYS B 9 -12.873 2.444 -0.950 1.00 0.00 C ATOM 1232 CD LYS B 9 -14.228 3.128 -0.769 1.00 0.00 C ATOM 1233 CE LYS B 9 -14.472 4.094 -1.930 1.00 0.00 C ATOM 1234 NZ LYS B 9 -15.536 5.018 -1.446 1.00 0.00 N ATOM 0 H LYS B 9 -12.347 0.487 -2.448 1.00 0.00 H new ATOM 0 HA LYS B 9 -10.690 0.719 0.035 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.730 0.571 -0.297 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -12.831 1.414 0.949 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -12.071 3.116 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -12.710 2.209 -2.002 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -15.022 2.382 -0.730 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -14.251 3.668 0.178 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -13.564 4.639 -2.188 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -14.790 3.561 -2.826 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -15.758 5.711 -2.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -16.391 4.472 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -15.203 5.516 -0.596 1.00 0.00 H new ATOM 1248 N SER B 10 -12.141 -1.284 1.244 1.00 0.00 N ATOM 1249 CA SER B 10 -12.356 -2.660 1.774 1.00 0.00 C ATOM 1250 C SER B 10 -13.784 -3.117 1.471 1.00 0.00 C ATOM 1251 O SER B 10 -14.702 -2.863 2.226 1.00 0.00 O ATOM 1252 CB SER B 10 -12.139 -2.541 3.282 1.00 0.00 C ATOM 1253 OG SER B 10 -11.710 -3.795 3.796 1.00 0.00 O ATOM 0 H SER B 10 -12.299 -0.533 1.916 1.00 0.00 H new ATOM 0 HA SER B 10 -11.683 -3.390 1.324 1.00 0.00 H new ATOM 0 HB2 SER B 10 -11.394 -1.774 3.494 1.00 0.00 H new ATOM 0 HB3 SER B 10 -13.063 -2.232 3.771 1.00 0.00 H new ATOM 0 HG SER B 10 -11.568 -3.721 4.763 1.00 0.00 H new ATOM 1259 N TYR B 11 -13.978 -3.786 0.370 1.00 0.00 N ATOM 1260 CA TYR B 11 -15.346 -4.258 0.011 1.00 0.00 C ATOM 1261 C TYR B 11 -15.642 -5.596 0.697 1.00 0.00 C ATOM 1262 O TYR B 11 -14.821 -6.491 0.695 1.00 0.00 O ATOM 1263 CB TYR B 11 -15.316 -4.430 -1.509 1.00 0.00 C ATOM 1264 CG TYR B 11 -14.891 -3.133 -2.159 1.00 0.00 C ATOM 1265 CD1 TYR B 11 -13.529 -2.828 -2.301 1.00 0.00 C ATOM 1266 CD2 TYR B 11 -15.860 -2.236 -2.625 1.00 0.00 C ATOM 1267 CE1 TYR B 11 -13.142 -1.629 -2.905 1.00 0.00 C ATOM 1268 CE2 TYR B 11 -15.470 -1.036 -3.231 1.00 0.00 C ATOM 1269 CZ TYR B 11 -14.112 -0.731 -3.371 1.00 0.00 C ATOM 1270 OH TYR B 11 -13.730 0.451 -3.972 1.00 0.00 O ATOM 0 H TYR B 11 -13.247 -4.028 -0.299 1.00 0.00 H new ATOM 0 HA TYR B 11 -16.121 -3.561 0.329 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -14.625 -5.228 -1.781 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -16.301 -4.724 -1.871 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -12.780 -3.519 -1.944 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -16.909 -2.470 -2.517 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -12.093 -1.394 -3.013 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -16.218 -0.345 -3.591 1.00 0.00 H new ATOM 0 HH TYR B 11 -14.527 0.956 -4.237 1.00 0.00 H new ATOM 1280 N PRO B 12 -16.815 -5.687 1.264 1.00 0.00 N ATOM 1281 CA PRO B 12 -17.228 -6.929 1.961 1.00 0.00 C ATOM 1282 C PRO B 12 -17.523 -8.038 0.946 1.00 0.00 C ATOM 1283 O PRO B 12 -17.491 -9.209 1.266 1.00 0.00 O ATOM 1284 CB PRO B 12 -18.497 -6.517 2.702 1.00 0.00 C ATOM 1285 CG PRO B 12 -19.035 -5.354 1.931 1.00 0.00 C ATOM 1286 CD PRO B 12 -17.855 -4.654 1.308 1.00 0.00 C ATOM 0 HA PRO B 12 -16.461 -7.324 2.627 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -19.217 -7.335 2.737 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -18.279 -6.240 3.734 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -19.733 -5.690 1.164 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -19.583 -4.677 2.587 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -18.092 -4.283 0.311 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -17.541 -3.796 1.902 1.00 0.00 H new ATOM 1294 N ASP B 13 -17.810 -7.676 -0.274 1.00 0.00 N ATOM 1295 CA ASP B 13 -18.105 -8.709 -1.308 1.00 0.00 C ATOM 1296 C ASP B 13 -17.083 -9.846 -1.226 1.00 0.00 C ATOM 1297 O ASP B 13 -17.482 -10.988 -1.390 1.00 0.00 O ATOM 1298 CB ASP B 13 -17.986 -7.976 -2.644 1.00 0.00 C ATOM 1299 CG ASP B 13 -19.228 -7.111 -2.866 1.00 0.00 C ATOM 1300 OD1 ASP B 13 -20.303 -7.674 -2.994 1.00 0.00 O ATOM 1301 OD2 ASP B 13 -19.083 -5.900 -2.904 1.00 0.00 O ATOM 1302 OXT ASP B 13 -15.920 -9.556 -1.002 1.00 0.00 O ATOM 0 H ASP B 13 -17.853 -6.710 -0.600 1.00 0.00 H new ATOM 0 HA ASP B 13 -19.090 -9.158 -1.175 1.00 0.00 H new ATOM 0 HB2 ASP B 13 -17.091 -7.354 -2.651 1.00 0.00 H new ATOM 0 HB3 ASP B 13 -17.881 -8.695 -3.457 1.00 0.00 H new TER 1307 ASP B 13