USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ -101:sc= -4.21! (180deg=-3.93!) USER MOD Set 1.2: A 71 GLN : amide:sc= -2! K(o=-6.2!,f=-0.73) USER MOD Set 2.1: A 3 CYS SG : rot -101:sc= -11.4! USER MOD Set 2.2: A 16 CYS SG : rot 120:sc= -5.42! USER MOD Set 2.3: A 23 CYS SG : rot -84:sc= -11.8! USER MOD Set 2.4: A 44 CYS SG : rot -75:sc= -12.4! USER MOD Set 2.5: A 60 CYS SG : rot -44:sc= -21.2! USER MOD Set 2.6: A 62 THR OG1 : rot 56:sc= -1.67! USER MOD Set 2.7: A 65 CYS SG : rot 17:sc= -27! USER MOD Set 2.8: A 66 ASN : amide:sc= -11.1! C(o=-1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -44:sc= 0.13! USER MOD Set 3.2: A 59 CYS SG : rot 133:sc= -9.05! USER MOD Set 4.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 4.2: B 4 TYR OH : rot -113:sc= -0.877 USER MOD Set 5.1: A 29 CYS SG : rot -141:sc= -3.2! USER MOD Set 5.2: A 33 CYS SG : rot -62:sc= 1.61! USER MOD Set 6.1: A 5 THR OG1 : rot -27:sc= 1.25! USER MOD Set 6.2: A 8 THR OG1 : rot 76:sc= -1.37 USER MOD Set 6.3: A 9 SER OG : rot 180:sc= 0.0523 USER MOD Single : A 1 ILE N :NH3+ -114:sc= -0.167 (180deg=-0.414) USER MOD Single : A 4 HIS : no HD1:sc= -13.5! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -75:sc= -2.77 USER MOD Single : A 12 SER OG : rot 180:sc= -0.46 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 21 ASN : amide:sc= -5.56! K(o=-5.6!,f=-1.9) 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 140:sc= -1.24 (180deg=-1.69!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 137:sc= 0.504 (180deg=-1.25!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 48:sc= 1.16 USER MOD Single : A 51 LYS NZ :NH3+ 138:sc= -1.07 (180deg=-1.4) 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 73:sc= -0.222 USER MOD Single : A 61 SER OG : rot 180:sc=-0.00237 USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= -1.18 (180deg=-1.5) USER MOD Single : A 68 HIS : no HE2:sc= -36.1! C(o=-36!,f=-43!) USER MOD Single : B 1 HIS : no HE2:sc= -1.92 K(o=-1.9,f=-5.1!) USER MOD Single : B 1 HIS N :NH3+ 175:sc= -13.3! (180deg=-13.6!) USER MOD Single : B 3 TYR OH : rot 125:sc= 0.204 USER MOD Single : B 6 SER OG : rot -21:sc= 0.415 USER MOD Single : B 7 SER OG : rot 62:sc= -5.71! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.870 6.312 12.339 1.00 0.00 N ATOM 2 CA ILE A 1 -6.498 6.516 11.045 1.00 0.00 C ATOM 3 C ILE A 1 -6.821 5.156 10.419 1.00 0.00 C ATOM 4 O ILE A 1 -6.743 4.128 11.088 1.00 0.00 O ATOM 5 CB ILE A 1 -5.627 7.409 10.160 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.250 6.781 9.934 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.524 8.822 10.739 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.542 7.426 8.741 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.496 6.669 13.089 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.698 5.297 12.485 1.00 0.00 H new ATOM 0 H3 ILE A 1 -4.966 6.824 12.371 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.443 7.047 11.160 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.106 7.495 9.185 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.641 6.899 10.830 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.359 5.710 9.761 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.899 9.436 10.091 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.519 9.261 10.806 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.080 8.776 11.733 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.566 6.961 8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.142 7.285 7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.413 8.492 8.927 1.00 0.00 H new ATOM 20 N VAL A 2 -7.176 5.197 9.143 1.00 0.00 N ATOM 21 CA VAL A 2 -7.508 3.981 8.421 1.00 0.00 C ATOM 22 C VAL A 2 -6.602 3.856 7.196 1.00 0.00 C ATOM 23 O VAL A 2 -6.123 4.858 6.667 1.00 0.00 O ATOM 24 CB VAL A 2 -8.997 3.977 8.064 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.476 2.564 7.729 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.833 4.586 9.192 1.00 0.00 C ATOM 0 H VAL A 2 -7.241 6.052 8.591 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.332 3.106 9.046 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.130 4.596 7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.537 2.589 7.479 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.912 2.181 6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.321 1.914 8.590 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.887 4.571 8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.691 4.006 10.104 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.518 5.615 9.364 1.00 0.00 H new ATOM 36 N CYS A 3 -6.389 2.615 6.782 1.00 0.00 N ATOM 37 CA CYS A 3 -5.545 2.344 5.630 1.00 0.00 C ATOM 38 C CYS A 3 -6.133 1.152 4.875 1.00 0.00 C ATOM 39 O CYS A 3 -6.747 0.272 5.476 1.00 0.00 O ATOM 40 CB CYS A 3 -4.090 2.102 6.037 1.00 0.00 C ATOM 41 SG CYS A 3 -3.694 3.069 7.540 1.00 0.00 S ATOM 0 H CYS A 3 -6.786 1.786 7.224 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.528 3.215 4.975 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.927 1.041 6.224 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.423 2.388 5.224 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.032 4.137 7.207 1.00 0.00 H new ATOM 47 N HIS A 4 -5.923 1.158 3.565 1.00 0.00 N ATOM 48 CA HIS A 4 -6.422 0.087 2.722 1.00 0.00 C ATOM 49 C HIS A 4 -5.430 -1.076 2.725 1.00 0.00 C ATOM 50 O HIS A 4 -4.220 -0.865 2.796 1.00 0.00 O ATOM 51 CB HIS A 4 -6.728 0.602 1.313 1.00 0.00 C ATOM 52 CG HIS A 4 -7.375 1.966 1.286 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.623 2.216 1.832 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.936 3.152 0.773 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.911 3.495 1.650 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.865 4.074 0.993 1.00 0.00 N ATOM 0 H HIS A 4 -5.414 1.889 3.069 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.365 -0.286 3.123 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.801 0.639 0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.383 -0.110 0.811 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.992 3.313 0.273 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.816 3.993 1.966 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.807 5.054 0.716 1.00 0.00 H new ATOM 65 N THR A 5 -5.976 -2.281 2.645 1.00 0.00 N ATOM 66 CA THR A 5 -5.154 -3.479 2.639 1.00 0.00 C ATOM 67 C THR A 5 -5.221 -4.164 1.273 1.00 0.00 C ATOM 68 O THR A 5 -6.279 -4.641 0.864 1.00 0.00 O ATOM 69 CB THR A 5 -5.612 -4.374 3.791 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.631 -5.187 3.215 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.337 -3.590 4.889 1.00 0.00 C ATOM 0 H THR A 5 -6.980 -2.453 2.584 1.00 0.00 H new ATOM 0 HA THR A 5 -4.103 -3.238 2.796 1.00 0.00 H new ATOM 0 HB THR A 5 -4.749 -4.885 4.219 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.045 -4.711 2.465 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.641 -4.272 5.683 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.668 -2.833 5.298 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.219 -3.106 4.469 1.00 0.00 H new ATOM 79 N THR A 6 -4.077 -4.190 0.604 1.00 0.00 N ATOM 80 CA THR A 6 -3.993 -4.809 -0.708 1.00 0.00 C ATOM 81 C THR A 6 -3.321 -6.180 -0.610 1.00 0.00 C ATOM 82 O THR A 6 -3.447 -7.004 -1.513 1.00 0.00 O ATOM 83 CB THR A 6 -3.264 -3.841 -1.642 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.836 -2.788 -0.784 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.210 -3.156 -2.629 1.00 0.00 C ATOM 0 H THR A 6 -3.202 -3.793 0.946 1.00 0.00 H new ATOM 0 HA THR A 6 -4.984 -4.997 -1.120 1.00 0.00 H new ATOM 0 HB THR A 6 -2.493 -4.379 -2.193 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.603 -2.224 -0.551 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.642 -2.480 -3.268 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.702 -3.909 -3.244 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.962 -2.590 -2.079 1.00 0.00 H new ATOM 93 N ALA A 7 -2.621 -6.382 0.498 1.00 0.00 N ATOM 94 CA ALA A 7 -1.929 -7.638 0.726 1.00 0.00 C ATOM 95 C ALA A 7 -2.909 -8.657 1.314 1.00 0.00 C ATOM 96 O ALA A 7 -3.006 -9.781 0.827 1.00 0.00 O ATOM 97 CB ALA A 7 -0.722 -7.399 1.636 1.00 0.00 C ATOM 0 H ALA A 7 -2.519 -5.697 1.246 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.554 -8.045 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.203 -8.342 1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.042 -6.692 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.060 -6.993 2.589 1.00 0.00 H new ATOM 103 N THR A 8 -3.611 -8.224 2.351 1.00 0.00 N ATOM 104 CA THR A 8 -4.579 -9.083 3.010 1.00 0.00 C ATOM 105 C THR A 8 -5.831 -9.236 2.144 1.00 0.00 C ATOM 106 O THR A 8 -5.822 -9.971 1.158 1.00 0.00 O ATOM 107 CB THR A 8 -4.866 -8.498 4.395 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.727 -7.091 4.213 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.780 -8.851 5.414 1.00 0.00 C ATOM 0 H THR A 8 -3.528 -7.289 2.751 1.00 0.00 H new ATOM 0 HA THR A 8 -4.187 -10.092 3.143 1.00 0.00 H new ATOM 0 HB THR A 8 -5.830 -8.861 4.751 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.516 -6.742 3.749 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.031 -8.412 6.380 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.713 -9.934 5.514 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.821 -8.458 5.075 1.00 0.00 H new ATOM 117 N SER A 9 -6.879 -8.533 2.547 1.00 0.00 N ATOM 118 CA SER A 9 -8.137 -8.583 1.819 1.00 0.00 C ATOM 119 C SER A 9 -7.951 -8.012 0.412 1.00 0.00 C ATOM 120 O SER A 9 -6.828 -7.915 -0.079 1.00 0.00 O ATOM 121 CB SER A 9 -9.232 -7.815 2.562 1.00 0.00 C ATOM 122 OG SER A 9 -8.964 -7.719 3.959 1.00 0.00 O ATOM 0 H SER A 9 -6.884 -7.926 3.367 1.00 0.00 H new ATOM 0 HA SER A 9 -8.447 -9.625 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.322 -6.814 2.141 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.190 -8.312 2.410 1.00 0.00 H new ATOM 0 HG SER A 9 -9.685 -7.220 4.397 1.00 0.00 H new ATOM 128 N PRO A 10 -9.100 -7.640 -0.213 1.00 0.00 N ATOM 129 CA PRO A 10 -9.075 -7.084 -1.555 1.00 0.00 C ATOM 130 C PRO A 10 -8.575 -5.637 -1.540 1.00 0.00 C ATOM 131 O PRO A 10 -7.623 -5.298 -2.242 1.00 0.00 O ATOM 132 CB PRO A 10 -10.501 -7.213 -2.063 1.00 0.00 C ATOM 133 CG PRO A 10 -11.367 -7.408 -0.827 1.00 0.00 C ATOM 134 CD PRO A 10 -10.448 -7.740 0.336 1.00 0.00 C ATOM 0 HA PRO A 10 -8.383 -7.609 -2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.802 -6.322 -2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.598 -8.058 -2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.940 -6.505 -0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.086 -8.211 -0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.591 -7.045 1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.644 -8.740 0.722 1.00 0.00 H new ATOM 142 N ILE A 11 -9.237 -4.825 -0.729 1.00 0.00 N ATOM 143 CA ILE A 11 -8.873 -3.423 -0.612 1.00 0.00 C ATOM 144 C ILE A 11 -9.994 -2.667 0.102 1.00 0.00 C ATOM 145 O ILE A 11 -11.020 -2.358 -0.500 1.00 0.00 O ATOM 146 CB ILE A 11 -8.517 -2.845 -1.984 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.015 -2.576 -2.094 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.348 -1.596 -2.285 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.653 -2.043 -3.481 1.00 0.00 C ATOM 0 H ILE A 11 -10.024 -5.111 -0.146 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.976 -3.312 -0.003 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.766 -3.587 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.715 -1.855 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.462 -3.495 -1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.076 -1.205 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.407 -1.853 -2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.154 -0.838 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.580 -1.860 -3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.932 -2.777 -4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.189 -1.111 -3.664 1.00 0.00 H new ATOM 161 N SER A 12 -9.759 -2.389 1.376 1.00 0.00 N ATOM 162 CA SER A 12 -10.738 -1.675 2.179 1.00 0.00 C ATOM 163 C SER A 12 -10.033 -0.909 3.302 1.00 0.00 C ATOM 164 O SER A 12 -9.098 -1.420 3.916 1.00 0.00 O ATOM 165 CB SER A 12 -11.777 -2.632 2.761 1.00 0.00 C ATOM 166 OG SER A 12 -11.246 -3.411 3.831 1.00 0.00 O ATOM 0 H SER A 12 -8.905 -2.645 1.872 1.00 0.00 H new ATOM 0 HA SER A 12 -11.259 -0.967 1.534 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.635 -2.062 3.118 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.140 -3.295 1.975 1.00 0.00 H new ATOM 0 HG SER A 12 -11.941 -4.009 4.177 1.00 0.00 H new ATOM 172 N ALA A 13 -10.510 0.305 3.534 1.00 0.00 N ATOM 173 CA ALA A 13 -9.939 1.147 4.573 1.00 0.00 C ATOM 174 C ALA A 13 -10.453 0.687 5.937 1.00 0.00 C ATOM 175 O ALA A 13 -11.587 0.983 6.310 1.00 0.00 O ATOM 176 CB ALA A 13 -10.276 2.611 4.285 1.00 0.00 C ATOM 0 H ALA A 13 -11.285 0.726 3.021 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.853 1.059 4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.848 3.243 5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.862 2.896 3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.358 2.739 4.268 1.00 0.00 H new ATOM 182 N VAL A 14 -9.594 -0.031 6.647 1.00 0.00 N ATOM 183 CA VAL A 14 -9.949 -0.536 7.962 1.00 0.00 C ATOM 184 C VAL A 14 -8.837 -0.185 8.955 1.00 0.00 C ATOM 185 O VAL A 14 -7.670 -0.493 8.718 1.00 0.00 O ATOM 186 CB VAL A 14 -10.232 -2.038 7.889 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.778 -2.426 6.513 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.981 -2.849 8.230 1.00 0.00 C ATOM 0 H VAL A 14 -8.654 -0.275 6.336 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.865 -0.064 8.317 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.995 -2.272 8.631 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.971 -3.498 6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.706 -1.886 6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.047 -2.170 5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.210 -3.913 8.171 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.187 -2.608 7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.653 -2.604 9.240 1.00 0.00 H new ATOM 198 N THR A 15 -9.240 0.453 10.044 1.00 0.00 N ATOM 199 CA THR A 15 -8.292 0.850 11.071 1.00 0.00 C ATOM 200 C THR A 15 -7.372 -0.320 11.427 1.00 0.00 C ATOM 201 O THR A 15 -7.811 -1.468 11.473 1.00 0.00 O ATOM 202 CB THR A 15 -9.087 1.383 12.265 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.063 2.239 11.678 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.257 2.315 13.150 1.00 0.00 C ATOM 0 H THR A 15 -10.209 0.705 10.237 1.00 0.00 H new ATOM 0 HA THR A 15 -7.634 1.644 10.718 1.00 0.00 H new ATOM 0 HB THR A 15 -9.453 0.547 12.861 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.624 2.626 12.382 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.867 2.665 13.982 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.392 1.775 13.536 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.919 3.169 12.563 1.00 0.00 H new ATOM 212 N CYS A 16 -6.113 0.013 11.671 1.00 0.00 N ATOM 213 CA CYS A 16 -5.126 -0.994 12.021 1.00 0.00 C ATOM 214 C CYS A 16 -4.987 -1.022 13.544 1.00 0.00 C ATOM 215 O CYS A 16 -5.632 -0.244 14.244 1.00 0.00 O ATOM 216 CB CYS A 16 -3.786 -0.739 11.329 1.00 0.00 C ATOM 217 SG CYS A 16 -3.368 -2.143 10.231 1.00 0.00 S ATOM 0 H CYS A 16 -5.754 0.967 11.633 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.460 -1.971 11.670 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.837 0.183 10.750 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.002 -0.605 12.075 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.255 -1.718 9.007 1.00 0.00 H new ATOM 223 N PRO A 17 -4.117 -1.950 14.025 1.00 0.00 N ATOM 224 CA PRO A 17 -3.886 -2.089 15.453 1.00 0.00 C ATOM 225 C PRO A 17 -3.012 -0.949 15.979 1.00 0.00 C ATOM 226 O PRO A 17 -2.702 -0.010 15.247 1.00 0.00 O ATOM 227 CB PRO A 17 -3.240 -3.456 15.615 1.00 0.00 C ATOM 228 CG PRO A 17 -2.712 -3.834 14.241 1.00 0.00 C ATOM 229 CD PRO A 17 -3.337 -2.889 13.226 1.00 0.00 C ATOM 0 HA PRO A 17 -4.804 -2.025 16.037 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.433 -3.422 16.347 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.963 -4.190 15.971 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.625 -3.757 14.215 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.964 -4.868 14.006 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.574 -2.374 12.642 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.969 -3.428 12.520 1.00 0.00 H new ATOM 237 N PRO A 18 -2.629 -1.072 17.279 1.00 0.00 N ATOM 238 CA PRO A 18 -1.798 -0.062 17.913 1.00 0.00 C ATOM 239 C PRO A 18 -0.347 -0.172 17.439 1.00 0.00 C ATOM 240 O PRO A 18 0.331 -1.156 17.725 1.00 0.00 O ATOM 241 CB PRO A 18 -1.956 -0.302 19.405 1.00 0.00 C ATOM 242 CG PRO A 18 -2.494 -1.718 19.544 1.00 0.00 C ATOM 243 CD PRO A 18 -2.977 -2.169 18.176 1.00 0.00 C ATOM 0 HA PRO A 18 -2.097 0.954 17.654 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.002 -0.194 19.921 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.641 0.421 19.847 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.717 -2.387 19.914 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.310 -1.747 20.266 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.494 -3.097 17.872 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.051 -2.354 18.177 1.00 0.00 H new ATOM 251 N GLY A 19 0.087 0.856 16.723 1.00 0.00 N ATOM 252 CA GLY A 19 1.444 0.887 16.206 1.00 0.00 C ATOM 253 C GLY A 19 1.539 1.778 14.965 1.00 0.00 C ATOM 254 O GLY A 19 2.317 2.730 14.938 1.00 0.00 O ATOM 0 H GLY A 19 -0.477 1.673 16.489 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.122 1.256 16.976 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.765 -0.124 15.957 1.00 0.00 H new ATOM 258 N GLU A 20 0.734 1.438 13.970 1.00 0.00 N ATOM 259 CA GLU A 20 0.717 2.195 12.729 1.00 0.00 C ATOM 260 C GLU A 20 0.165 3.601 12.973 1.00 0.00 C ATOM 261 O GLU A 20 -1.041 3.781 13.125 1.00 0.00 O ATOM 262 CB GLU A 20 -0.092 1.468 11.653 1.00 0.00 C ATOM 263 CG GLU A 20 0.500 0.087 11.362 1.00 0.00 C ATOM 264 CD GLU A 20 -0.091 -0.972 12.298 1.00 0.00 C ATOM 265 OE1 GLU A 20 0.074 -2.175 12.054 1.00 0.00 O ATOM 266 OE2 GLU A 20 -0.740 -0.503 13.309 1.00 0.00 O ATOM 0 H GLU A 20 0.089 0.649 13.997 1.00 0.00 H new ATOM 0 HA GLU A 20 1.741 2.285 12.367 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.127 1.363 11.980 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.105 2.062 10.739 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.301 -0.187 10.326 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.583 0.119 11.481 1.00 0.00 H new ATOM 274 N ASN A 21 1.076 4.563 13.003 1.00 0.00 N ATOM 275 CA ASN A 21 0.697 5.947 13.226 1.00 0.00 C ATOM 276 C ASN A 21 0.260 6.572 11.900 1.00 0.00 C ATOM 277 O ASN A 21 0.009 7.775 11.829 1.00 0.00 O ATOM 278 CB ASN A 21 1.874 6.761 13.768 1.00 0.00 C ATOM 279 CG ASN A 21 2.599 6.003 14.881 1.00 0.00 C ATOM 280 OD1 ASN A 21 3.746 6.266 15.202 1.00 0.00 O ATOM 281 ND2 ASN A 21 1.868 5.050 15.451 1.00 0.00 N ATOM 0 H ASN A 21 2.077 4.410 12.876 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.115 5.961 13.953 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.571 6.981 12.960 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.515 7.717 14.149 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.262 4.487 16.205 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.913 4.881 15.134 1.00 0.00 H new ATOM 288 N LEU A 22 0.183 5.727 10.882 1.00 0.00 N ATOM 289 CA LEU A 22 -0.219 6.182 9.562 1.00 0.00 C ATOM 290 C LEU A 22 -0.352 4.974 8.630 1.00 0.00 C ATOM 291 O LEU A 22 -0.276 3.832 9.076 1.00 0.00 O ATOM 292 CB LEU A 22 0.745 7.252 9.048 1.00 0.00 C ATOM 293 CG LEU A 22 2.155 6.773 8.699 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.446 6.961 7.208 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.202 7.462 9.577 1.00 0.00 C ATOM 0 H LEU A 22 0.392 4.731 10.945 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.197 6.662 9.605 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.308 7.710 8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.825 8.034 9.803 1.00 0.00 H new ATOM 0 HG LEU A 22 2.212 5.704 8.907 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.455 6.612 6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.728 6.388 6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.363 8.017 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.195 7.103 9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.152 8.540 9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.005 7.234 10.625 1.00 0.00 H new ATOM 307 N CYS A 23 -0.547 5.272 7.354 1.00 0.00 N ATOM 308 CA CYS A 23 -0.691 4.225 6.356 1.00 0.00 C ATOM 309 C CYS A 23 0.625 4.115 5.582 1.00 0.00 C ATOM 310 O CYS A 23 1.629 4.706 5.973 1.00 0.00 O ATOM 311 CB CYS A 23 -1.879 4.488 5.429 1.00 0.00 C ATOM 312 SG CYS A 23 -3.214 5.339 6.346 1.00 0.00 S ATOM 0 H CYS A 23 -0.609 6.222 6.988 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.902 3.275 6.848 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.562 5.098 4.583 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.249 3.547 5.023 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.940 4.460 6.970 1.00 0.00 H new ATOM 318 N TYR A 24 0.574 3.355 4.499 1.00 0.00 N ATOM 319 CA TYR A 24 1.749 3.159 3.667 1.00 0.00 C ATOM 320 C TYR A 24 1.378 2.486 2.343 1.00 0.00 C ATOM 321 O TYR A 24 0.268 1.981 2.189 1.00 0.00 O ATOM 322 CB TYR A 24 2.675 2.230 4.455 1.00 0.00 C ATOM 323 CG TYR A 24 2.269 0.757 4.402 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.756 -0.058 3.400 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.416 0.241 5.356 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.373 -1.446 3.351 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.034 -1.147 5.308 1.00 0.00 C ATOM 328 CZ TYR A 24 1.532 -1.920 4.308 1.00 0.00 C ATOM 329 OH TYR A 24 1.172 -3.232 4.260 1.00 0.00 O ATOM 0 H TYR A 24 -0.262 2.867 4.178 1.00 0.00 H new ATOM 0 HA TYR A 24 2.217 4.115 3.433 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.689 2.331 4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.697 2.553 5.496 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.424 0.345 2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.034 0.879 6.140 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.745 -2.095 2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.368 -1.563 6.049 1.00 0.00 H new ATOM 0 HH TYR A 24 0.569 -3.433 5.006 1.00 0.00 H new ATOM 339 N ARG A 25 2.330 2.502 1.421 1.00 0.00 N ATOM 340 CA ARG A 25 2.116 1.899 0.115 1.00 0.00 C ATOM 341 C ARG A 25 3.347 1.094 -0.304 1.00 0.00 C ATOM 342 O ARG A 25 4.325 1.656 -0.792 1.00 0.00 O ATOM 343 CB ARG A 25 1.829 2.967 -0.943 1.00 0.00 C ATOM 344 CG ARG A 25 1.038 4.132 -0.346 1.00 0.00 C ATOM 345 CD ARG A 25 1.180 5.389 -1.205 1.00 0.00 C ATOM 346 NE ARG A 25 -0.154 5.853 -1.649 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.372 6.568 -2.773 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.657 6.906 -3.580 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.606 6.929 -3.073 1.00 0.00 N ATOM 0 H ARG A 25 3.250 2.922 1.552 1.00 0.00 H new ATOM 0 HA ARG A 25 1.253 1.237 0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.768 3.335 -1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.268 2.526 -1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.014 3.859 -0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.392 4.336 0.665 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.676 6.175 -0.635 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.808 5.179 -2.071 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.959 5.617 -1.069 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.607 6.621 -3.342 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.484 7.446 -4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.377 6.667 -2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.788 7.470 -3.919 1.00 0.00 H new ATOM 363 N LYS A 26 3.257 -0.212 -0.099 1.00 0.00 N ATOM 364 CA LYS A 26 4.352 -1.102 -0.450 1.00 0.00 C ATOM 365 C LYS A 26 4.279 -1.429 -1.943 1.00 0.00 C ATOM 366 O LYS A 26 3.212 -1.343 -2.550 1.00 0.00 O ATOM 367 CB LYS A 26 4.347 -2.339 0.451 1.00 0.00 C ATOM 368 CG LYS A 26 5.624 -2.408 1.292 1.00 0.00 C ATOM 369 CD LYS A 26 5.543 -3.540 2.319 1.00 0.00 C ATOM 370 CE LYS A 26 5.250 -2.990 3.717 1.00 0.00 C ATOM 371 NZ LYS A 26 6.143 -3.620 4.716 1.00 0.00 N ATOM 0 H LYS A 26 2.443 -0.675 0.305 1.00 0.00 H new ATOM 0 HA LYS A 26 5.311 -0.613 -0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.476 -2.313 1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.260 -3.238 -0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.485 -2.563 0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.779 -1.458 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.762 -4.243 2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.482 -4.093 2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.389 -1.909 3.726 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.209 -3.180 3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.933 -3.237 5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.991 -4.649 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.134 -3.417 4.473 1.00 0.00 H new ATOM 385 N MET A 27 5.427 -1.798 -2.492 1.00 0.00 N ATOM 386 CA MET A 27 5.506 -2.138 -3.903 1.00 0.00 C ATOM 387 C MET A 27 6.597 -3.180 -4.155 1.00 0.00 C ATOM 388 O MET A 27 7.570 -3.259 -3.405 1.00 0.00 O ATOM 389 CB MET A 27 5.806 -0.877 -4.716 1.00 0.00 C ATOM 390 CG MET A 27 4.575 -0.429 -5.507 1.00 0.00 C ATOM 391 SD MET A 27 4.666 1.322 -5.837 1.00 0.00 S ATOM 392 CE MET A 27 2.982 1.630 -6.343 1.00 0.00 C ATOM 0 H MET A 27 6.310 -1.869 -1.986 1.00 0.00 H new ATOM 0 HA MET A 27 4.549 -2.560 -4.210 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.125 -0.077 -4.048 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.632 -1.069 -5.400 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.514 -0.981 -6.445 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.669 -0.655 -4.945 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.645 2.580 -5.928 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.931 1.671 -7.431 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.340 0.827 -5.979 1.00 0.00 H new ATOM 402 N TRP A 28 6.400 -3.953 -5.213 1.00 0.00 N ATOM 403 CA TRP A 28 7.356 -4.988 -5.572 1.00 0.00 C ATOM 404 C TRP A 28 6.989 -5.506 -6.964 1.00 0.00 C ATOM 405 O TRP A 28 7.301 -4.870 -7.969 1.00 0.00 O ATOM 406 CB TRP A 28 7.394 -6.091 -4.514 1.00 0.00 C ATOM 407 CG TRP A 28 6.061 -6.313 -3.798 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.905 -6.748 -4.321 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.788 -6.092 -2.398 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.913 -6.823 -3.364 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.468 -6.412 -2.158 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.630 -5.638 -1.368 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.871 -6.312 -0.894 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.020 -5.542 -0.112 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.692 -5.861 0.146 1.00 0.00 C ATOM 0 H TRP A 28 5.593 -3.884 -5.833 1.00 0.00 H new ATOM 0 HA TRP A 28 8.368 -4.584 -5.606 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.700 -7.024 -4.987 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.155 -5.844 -3.774 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.768 -7.007 -5.360 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.950 -7.124 -3.514 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.666 -5.383 -1.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.835 -6.569 -0.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.623 -5.196 0.714 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.295 -5.761 1.145 1.00 0.00 H new ATOM 426 N CYS A 29 6.330 -6.657 -6.977 1.00 0.00 N ATOM 427 CA CYS A 29 5.917 -7.268 -8.229 1.00 0.00 C ATOM 428 C CYS A 29 5.089 -8.513 -7.905 1.00 0.00 C ATOM 429 O CYS A 29 5.585 -9.447 -7.277 1.00 0.00 O ATOM 430 CB CYS A 29 7.117 -7.597 -9.119 1.00 0.00 C ATOM 431 SG CYS A 29 7.079 -6.562 -10.628 1.00 0.00 S ATOM 0 H CYS A 29 6.073 -7.181 -6.141 1.00 0.00 H new ATOM 0 HA CYS A 29 5.308 -6.565 -8.797 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.044 -7.424 -8.572 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.100 -8.652 -9.391 1.00 0.00 H new ATOM 0 HG CYS A 29 7.468 -7.268 -11.648 1.00 0.00 H new ATOM 437 N ASP A 30 3.840 -8.485 -8.347 1.00 0.00 N ATOM 438 CA ASP A 30 2.938 -9.599 -8.112 1.00 0.00 C ATOM 439 C ASP A 30 3.649 -10.908 -8.463 1.00 0.00 C ATOM 440 O ASP A 30 4.780 -10.895 -8.945 1.00 0.00 O ATOM 441 CB ASP A 30 1.688 -9.491 -8.989 1.00 0.00 C ATOM 442 CG ASP A 30 0.552 -10.443 -8.613 1.00 0.00 C ATOM 443 OD1 ASP A 30 -0.402 -10.633 -9.382 1.00 0.00 O ATOM 444 OD2 ASP A 30 0.674 -11.012 -7.462 1.00 0.00 O ATOM 0 H ASP A 30 3.432 -7.708 -8.867 1.00 0.00 H new ATOM 0 HA ASP A 30 2.645 -9.580 -7.062 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.316 -8.468 -8.941 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.972 -9.678 -10.025 1.00 0.00 H new ATOM 450 N ALA A 31 2.955 -12.008 -8.206 1.00 0.00 N ATOM 451 CA ALA A 31 3.505 -13.322 -8.489 1.00 0.00 C ATOM 452 C ALA A 31 3.553 -13.537 -10.004 1.00 0.00 C ATOM 453 O ALA A 31 3.995 -14.585 -10.472 1.00 0.00 O ATOM 454 CB ALA A 31 2.672 -14.389 -7.776 1.00 0.00 C ATOM 0 H ALA A 31 2.017 -12.015 -7.805 1.00 0.00 H new ATOM 0 HA ALA A 31 4.525 -13.399 -8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.085 -15.375 -7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.695 -14.210 -6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.642 -14.343 -8.130 1.00 0.00 H new ATOM 460 N PHE A 32 3.094 -12.526 -10.726 1.00 0.00 N ATOM 461 CA PHE A 32 3.078 -12.590 -12.178 1.00 0.00 C ATOM 462 C PHE A 32 3.895 -11.448 -12.786 1.00 0.00 C ATOM 463 O PHE A 32 4.166 -11.445 -13.986 1.00 0.00 O ATOM 464 CB PHE A 32 1.620 -12.448 -12.616 1.00 0.00 C ATOM 465 CG PHE A 32 0.723 -13.611 -12.184 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.527 -13.863 -10.861 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.125 -14.393 -13.121 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.305 -14.942 -10.460 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.707 -15.473 -12.720 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.904 -15.724 -11.398 1.00 0.00 C ATOM 0 H PHE A 32 2.730 -11.658 -10.333 1.00 0.00 H new ATOM 0 HA PHE A 32 3.513 -13.531 -12.514 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.217 -11.521 -12.207 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.585 -12.360 -13.702 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.004 -13.243 -10.116 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.282 -14.194 -14.171 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.462 -15.142 -9.410 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.183 -16.094 -13.465 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.536 -16.545 -11.093 1.00 0.00 H new ATOM 480 N CYS A 33 4.263 -10.507 -11.930 1.00 0.00 N ATOM 481 CA CYS A 33 5.042 -9.361 -12.368 1.00 0.00 C ATOM 482 C CYS A 33 4.537 -8.936 -13.749 1.00 0.00 C ATOM 483 O CYS A 33 5.286 -8.964 -14.724 1.00 0.00 O ATOM 484 CB CYS A 33 6.541 -9.667 -12.379 1.00 0.00 C ATOM 485 SG CYS A 33 7.428 -8.424 -13.389 1.00 0.00 S ATOM 0 H CYS A 33 4.037 -10.514 -10.935 1.00 0.00 H new ATOM 0 HA CYS A 33 4.910 -8.539 -11.665 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.929 -9.663 -11.360 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.714 -10.665 -12.782 1.00 0.00 H new ATOM 0 HG CYS A 33 7.002 -8.478 -14.616 1.00 0.00 H new ATOM 491 N SER A 34 3.270 -8.550 -13.787 1.00 0.00 N ATOM 492 CA SER A 34 2.656 -8.120 -15.031 1.00 0.00 C ATOM 493 C SER A 34 3.384 -6.889 -15.576 1.00 0.00 C ATOM 494 O SER A 34 4.288 -6.362 -14.930 1.00 0.00 O ATOM 495 CB SER A 34 1.171 -7.813 -14.835 1.00 0.00 C ATOM 496 OG SER A 34 0.439 -8.961 -14.412 1.00 0.00 O ATOM 0 H SER A 34 2.652 -8.526 -12.976 1.00 0.00 H new ATOM 0 HA SER A 34 2.739 -8.933 -15.752 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.059 -7.020 -14.096 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.752 -7.440 -15.769 1.00 0.00 H new ATOM 0 HG SER A 34 -0.505 -8.723 -14.296 1.00 0.00 H new ATOM 502 N SER A 35 2.963 -6.468 -16.759 1.00 0.00 N ATOM 503 CA SER A 35 3.565 -5.311 -17.399 1.00 0.00 C ATOM 504 C SER A 35 3.125 -4.031 -16.685 1.00 0.00 C ATOM 505 O SER A 35 3.571 -2.938 -17.030 1.00 0.00 O ATOM 506 CB SER A 35 3.192 -5.244 -18.883 1.00 0.00 C ATOM 507 OG SER A 35 3.569 -6.429 -19.580 1.00 0.00 O ATOM 0 H SER A 35 2.212 -6.907 -17.291 1.00 0.00 H new ATOM 0 HA SER A 35 4.648 -5.407 -17.328 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.117 -5.092 -18.981 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.679 -4.383 -19.341 1.00 0.00 H new ATOM 0 HG SER A 35 3.313 -6.349 -20.523 1.00 0.00 H new ATOM 513 N ARG A 36 2.255 -4.209 -15.702 1.00 0.00 N ATOM 514 CA ARG A 36 1.749 -3.083 -14.935 1.00 0.00 C ATOM 515 C ARG A 36 2.798 -2.616 -13.924 1.00 0.00 C ATOM 516 O ARG A 36 2.522 -1.753 -13.092 1.00 0.00 O ATOM 517 CB ARG A 36 0.464 -3.454 -14.194 1.00 0.00 C ATOM 518 CG ARG A 36 -0.466 -4.277 -15.086 1.00 0.00 C ATOM 519 CD ARG A 36 -0.989 -3.439 -16.255 1.00 0.00 C ATOM 520 NE ARG A 36 0.111 -3.157 -17.206 1.00 0.00 N ATOM 521 CZ ARG A 36 0.124 -2.110 -18.057 1.00 0.00 C ATOM 522 NH1 ARG A 36 -0.904 -1.234 -18.083 1.00 0.00 N ATOM 523 NH2 ARG A 36 1.157 -1.954 -18.864 1.00 0.00 N ATOM 0 H ARG A 36 1.887 -5.117 -15.419 1.00 0.00 H new ATOM 0 HA ARG A 36 1.530 -2.276 -15.635 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.709 -4.022 -13.296 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.047 -2.548 -13.869 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.067 -5.148 -15.468 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.304 -4.650 -14.497 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.793 -3.971 -16.763 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.409 -2.504 -15.884 1.00 0.00 H new ATOM 0 HE ARG A 36 0.908 -3.794 -17.218 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.698 -1.361 -17.456 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.886 -0.445 -18.730 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.929 -2.620 -18.838 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.183 -1.168 -19.513 1.00 0.00 H new ATOM 537 N GLY A 37 3.979 -3.207 -14.028 1.00 0.00 N ATOM 538 CA GLY A 37 5.069 -2.863 -13.133 1.00 0.00 C ATOM 539 C GLY A 37 5.004 -3.687 -11.845 1.00 0.00 C ATOM 540 O GLY A 37 4.968 -4.917 -11.893 1.00 0.00 O ATOM 0 H GLY A 37 4.204 -3.922 -14.719 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.022 -3.037 -13.632 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.024 -1.801 -12.892 1.00 0.00 H new ATOM 544 N LYS A 38 4.991 -2.980 -10.726 1.00 0.00 N ATOM 545 CA LYS A 38 4.931 -3.631 -9.429 1.00 0.00 C ATOM 546 C LYS A 38 3.480 -3.651 -8.939 1.00 0.00 C ATOM 547 O LYS A 38 2.561 -3.349 -9.699 1.00 0.00 O ATOM 548 CB LYS A 38 5.901 -2.968 -8.449 1.00 0.00 C ATOM 549 CG LYS A 38 7.100 -2.369 -9.188 1.00 0.00 C ATOM 550 CD LYS A 38 7.621 -3.331 -10.257 1.00 0.00 C ATOM 551 CE LYS A 38 9.151 -3.308 -10.316 1.00 0.00 C ATOM 552 NZ LYS A 38 9.727 -3.658 -8.999 1.00 0.00 N ATOM 0 H LYS A 38 5.021 -1.961 -10.690 1.00 0.00 H new ATOM 0 HA LYS A 38 5.256 -4.668 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.384 -2.186 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.247 -3.702 -7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.812 -1.426 -9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.895 -2.145 -8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.277 -4.342 -10.040 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.212 -3.056 -11.229 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.502 -4.011 -11.071 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.494 -2.318 -10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.526 -4.311 -9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.061 -2.794 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.000 -4.115 -8.413 1.00 0.00 H new ATOM 566 N VAL A 39 3.321 -4.009 -7.674 1.00 0.00 N ATOM 567 CA VAL A 39 1.999 -4.072 -7.074 1.00 0.00 C ATOM 568 C VAL A 39 1.790 -2.850 -6.179 1.00 0.00 C ATOM 569 O VAL A 39 2.525 -1.867 -6.281 1.00 0.00 O ATOM 570 CB VAL A 39 1.826 -5.397 -6.328 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.348 -5.780 -6.228 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.636 -6.512 -6.994 1.00 0.00 C ATOM 0 H VAL A 39 4.086 -4.259 -7.047 1.00 0.00 H new ATOM 0 HA VAL A 39 1.228 -4.045 -7.844 1.00 0.00 H new ATOM 0 HB VAL A 39 2.208 -5.264 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.252 -6.725 -5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.194 -5.002 -5.690 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.069 -5.886 -7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.495 -7.442 -6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.298 -6.643 -8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.693 -6.245 -6.991 1.00 0.00 H new ATOM 582 N VAL A 40 0.789 -2.950 -5.319 1.00 0.00 N ATOM 583 CA VAL A 40 0.475 -1.865 -4.405 1.00 0.00 C ATOM 584 C VAL A 40 -0.194 -2.436 -3.152 1.00 0.00 C ATOM 585 O VAL A 40 -1.410 -2.340 -2.994 1.00 0.00 O ATOM 586 CB VAL A 40 -0.384 -0.816 -5.115 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.228 0.557 -4.457 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.047 -0.750 -6.606 1.00 0.00 C ATOM 0 H VAL A 40 0.184 -3.767 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 40 1.386 -1.359 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.427 -1.117 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.849 1.284 -4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.539 0.498 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.815 0.868 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.671 0.003 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.003 -0.484 -6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.232 -1.722 -7.064 1.00 0.00 H new ATOM 598 N GLU A 41 0.630 -3.016 -2.293 1.00 0.00 N ATOM 599 CA GLU A 41 0.135 -3.603 -1.060 1.00 0.00 C ATOM 600 C GLU A 41 0.171 -2.572 0.070 1.00 0.00 C ATOM 601 O GLU A 41 0.959 -2.700 1.007 1.00 0.00 O ATOM 602 CB GLU A 41 0.934 -4.853 -0.687 1.00 0.00 C ATOM 603 CG GLU A 41 1.179 -5.733 -1.915 1.00 0.00 C ATOM 604 CD GLU A 41 0.859 -7.198 -1.612 1.00 0.00 C ATOM 605 OE1 GLU A 41 1.005 -7.640 -0.463 1.00 0.00 O ATOM 606 OE2 GLU A 41 0.445 -7.886 -2.622 1.00 0.00 O ATOM 0 H GLU A 41 1.638 -3.092 -2.427 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.900 -3.907 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.888 -4.562 -0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.394 -5.421 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.562 -5.386 -2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.218 -5.642 -2.231 1.00 0.00 H new ATOM 614 N LEU A 42 -0.690 -1.572 -0.056 1.00 0.00 N ATOM 615 CA LEU A 42 -0.766 -0.521 0.943 1.00 0.00 C ATOM 616 C LEU A 42 -1.280 -1.108 2.259 1.00 0.00 C ATOM 617 O LEU A 42 -1.520 -2.311 2.354 1.00 0.00 O ATOM 618 CB LEU A 42 -1.602 0.651 0.426 1.00 0.00 C ATOM 619 CG LEU A 42 -1.552 0.895 -1.085 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.791 0.321 -1.774 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.360 2.382 -1.394 1.00 0.00 C ATOM 0 H LEU A 42 -1.340 -1.468 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 42 0.225 -0.113 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.640 0.486 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.272 1.558 0.932 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.687 0.368 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.730 0.508 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.842 -0.753 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.685 0.799 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.328 2.528 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.190 2.951 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.425 2.727 -0.953 1.00 0.00 H new ATOM 633 N GLY A 43 -1.431 -0.233 3.242 1.00 0.00 N ATOM 634 CA GLY A 43 -1.912 -0.649 4.548 1.00 0.00 C ATOM 635 C GLY A 43 -1.520 0.364 5.625 1.00 0.00 C ATOM 636 O GLY A 43 -1.458 1.564 5.361 1.00 0.00 O ATOM 0 H GLY A 43 -1.228 0.763 3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.996 -0.757 4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.500 -1.627 4.797 1.00 0.00 H new ATOM 640 N CYS A 44 -1.268 -0.156 6.818 1.00 0.00 N ATOM 641 CA CYS A 44 -0.885 0.690 7.936 1.00 0.00 C ATOM 642 C CYS A 44 0.569 0.379 8.299 1.00 0.00 C ATOM 643 O CYS A 44 1.058 -0.717 8.030 1.00 0.00 O ATOM 644 CB CYS A 44 -1.823 0.505 9.132 1.00 0.00 C ATOM 645 SG CYS A 44 -3.557 0.404 8.557 1.00 0.00 S ATOM 0 H CYS A 44 -1.322 -1.151 7.034 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.970 1.738 7.648 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.558 -0.402 9.676 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.709 1.338 9.826 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.972 1.589 8.220 1.00 0.00 H new ATOM 651 N ALA A 45 1.218 1.363 8.901 1.00 0.00 N ATOM 652 CA ALA A 45 2.607 1.210 9.302 1.00 0.00 C ATOM 653 C ALA A 45 2.996 2.361 10.229 1.00 0.00 C ATOM 654 O ALA A 45 2.535 3.489 10.052 1.00 0.00 O ATOM 655 CB ALA A 45 3.492 1.137 8.056 1.00 0.00 C ATOM 0 H ALA A 45 0.808 2.271 9.122 1.00 0.00 H new ATOM 0 HA ALA A 45 2.747 0.282 9.856 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.534 1.022 8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.194 0.284 7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.380 2.053 7.476 1.00 0.00 H new ATOM 661 N ALA A 46 3.842 2.040 11.197 1.00 0.00 N ATOM 662 CA ALA A 46 4.299 3.035 12.153 1.00 0.00 C ATOM 663 C ALA A 46 4.847 4.248 11.398 1.00 0.00 C ATOM 664 O ALA A 46 4.508 5.386 11.714 1.00 0.00 O ATOM 665 CB ALA A 46 5.340 2.409 13.083 1.00 0.00 C ATOM 0 H ALA A 46 4.223 1.105 11.340 1.00 0.00 H new ATOM 0 HA ALA A 46 3.472 3.379 12.774 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.683 3.155 13.800 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.893 1.571 13.617 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.187 2.055 12.495 1.00 0.00 H new ATOM 671 N THR A 47 5.685 3.961 10.411 1.00 0.00 N ATOM 672 CA THR A 47 6.283 5.015 9.609 1.00 0.00 C ATOM 673 C THR A 47 6.788 4.450 8.279 1.00 0.00 C ATOM 674 O THR A 47 6.957 3.239 8.139 1.00 0.00 O ATOM 675 CB THR A 47 7.380 5.680 10.442 1.00 0.00 C ATOM 676 OG1 THR A 47 8.164 4.589 10.919 1.00 0.00 O ATOM 677 CG2 THR A 47 6.835 6.330 11.715 1.00 0.00 C ATOM 0 H THR A 47 5.963 3.015 10.149 1.00 0.00 H new ATOM 0 HA THR A 47 5.549 5.777 9.346 1.00 0.00 H new ATOM 0 HB THR A 47 7.888 6.432 9.838 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.900 4.931 11.468 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.654 6.787 12.270 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.105 7.095 11.449 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.356 5.572 12.335 1.00 0.00 H new ATOM 685 N CYS A 48 7.016 5.354 7.338 1.00 0.00 N ATOM 686 CA CYS A 48 7.499 4.961 6.024 1.00 0.00 C ATOM 687 C CYS A 48 8.437 3.764 6.196 1.00 0.00 C ATOM 688 O CYS A 48 9.614 3.934 6.510 1.00 0.00 O ATOM 689 CB CYS A 48 8.183 6.123 5.303 1.00 0.00 C ATOM 690 SG CYS A 48 7.780 7.702 6.136 1.00 0.00 S ATOM 0 H CYS A 48 6.876 6.357 7.459 1.00 0.00 H new ATOM 0 HA CYS A 48 6.657 4.674 5.394 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.262 5.972 5.295 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.858 6.158 4.263 1.00 0.00 H new ATOM 0 HG CYS A 48 6.514 7.727 6.429 1.00 0.00 H new ATOM 696 N PRO A 49 7.865 2.551 5.976 1.00 0.00 N ATOM 697 CA PRO A 49 8.636 1.325 6.102 1.00 0.00 C ATOM 698 C PRO A 49 9.570 1.141 4.905 1.00 0.00 C ATOM 699 O PRO A 49 10.362 0.199 4.870 1.00 0.00 O ATOM 700 CB PRO A 49 7.601 0.219 6.225 1.00 0.00 C ATOM 701 CG PRO A 49 6.300 0.805 5.697 1.00 0.00 C ATOM 702 CD PRO A 49 6.473 2.312 5.603 1.00 0.00 C ATOM 0 HA PRO A 49 9.297 1.330 6.969 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.896 -0.658 5.649 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.493 -0.101 7.261 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.062 0.386 4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.472 0.556 6.361 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.266 2.672 4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.789 2.831 6.274 1.00 0.00 H new ATOM 710 N SER A 50 9.448 2.053 3.952 1.00 0.00 N ATOM 711 CA SER A 50 10.271 2.002 2.756 1.00 0.00 C ATOM 712 C SER A 50 11.573 1.253 3.049 1.00 0.00 C ATOM 713 O SER A 50 12.167 1.425 4.113 1.00 0.00 O ATOM 714 CB SER A 50 10.574 3.409 2.235 1.00 0.00 C ATOM 715 OG SER A 50 10.155 3.579 0.884 1.00 0.00 O ATOM 0 H SER A 50 8.791 2.832 3.984 1.00 0.00 H new ATOM 0 HA SER A 50 9.718 1.469 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.074 4.145 2.865 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.644 3.601 2.310 1.00 0.00 H new ATOM 0 HG SER A 50 9.240 3.243 0.780 1.00 0.00 H new ATOM 721 N LYS A 51 11.979 0.438 2.086 1.00 0.00 N ATOM 722 CA LYS A 51 13.199 -0.337 2.227 1.00 0.00 C ATOM 723 C LYS A 51 14.362 0.429 1.594 1.00 0.00 C ATOM 724 O LYS A 51 14.733 1.503 2.067 1.00 0.00 O ATOM 725 CB LYS A 51 13.008 -1.746 1.659 1.00 0.00 C ATOM 726 CG LYS A 51 12.440 -2.691 2.718 1.00 0.00 C ATOM 727 CD LYS A 51 13.558 -3.310 3.558 1.00 0.00 C ATOM 728 CE LYS A 51 14.174 -2.274 4.502 1.00 0.00 C ATOM 729 NZ LYS A 51 13.130 -1.671 5.362 1.00 0.00 N ATOM 0 H LYS A 51 11.484 0.298 1.205 1.00 0.00 H new ATOM 0 HA LYS A 51 13.443 -0.473 3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.336 -1.708 0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.963 -2.129 1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.753 -2.146 3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.864 -3.480 2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.163 -4.145 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.329 -3.714 2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.936 -2.746 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.671 -1.496 3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.489 -1.582 6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.881 -0.729 4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.285 -2.277 5.359 1.00 0.00 H new ATOM 743 N LYS A 52 14.906 -0.153 0.535 1.00 0.00 N ATOM 744 CA LYS A 52 16.019 0.462 -0.167 1.00 0.00 C ATOM 745 C LYS A 52 16.055 -0.053 -1.607 1.00 0.00 C ATOM 746 O LYS A 52 16.088 0.734 -2.552 1.00 0.00 O ATOM 747 CB LYS A 52 17.325 0.238 0.598 1.00 0.00 C ATOM 748 CG LYS A 52 17.213 0.752 2.035 1.00 0.00 C ATOM 749 CD LYS A 52 16.870 -0.386 2.999 1.00 0.00 C ATOM 750 CE LYS A 52 16.753 0.128 4.434 1.00 0.00 C ATOM 751 NZ LYS A 52 18.086 0.182 5.077 1.00 0.00 N ATOM 0 H LYS A 52 14.596 -1.044 0.146 1.00 0.00 H new ATOM 0 HA LYS A 52 15.887 1.543 -0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.569 -0.824 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.142 0.749 0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.153 1.215 2.334 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.445 1.524 2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.932 -0.852 2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.639 -1.156 2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.302 1.120 4.435 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.093 -0.523 5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.988 0.533 6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.503 -0.771 5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.705 0.822 4.539 1.00 0.00 H new ATOM 765 N PRO A 53 16.045 -1.408 -1.734 1.00 0.00 N ATOM 766 CA PRO A 53 16.075 -2.038 -3.043 1.00 0.00 C ATOM 767 C PRO A 53 14.715 -1.929 -3.735 1.00 0.00 C ATOM 768 O PRO A 53 14.337 -0.856 -4.203 1.00 0.00 O ATOM 769 CB PRO A 53 16.494 -3.474 -2.778 1.00 0.00 C ATOM 770 CG PRO A 53 16.232 -3.720 -1.301 1.00 0.00 C ATOM 771 CD PRO A 53 16.005 -2.372 -0.638 1.00 0.00 C ATOM 0 HA PRO A 53 16.772 -1.554 -3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.924 -4.167 -3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.547 -3.624 -3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.361 -4.362 -1.169 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.078 -4.233 -0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.047 -2.342 -0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.775 -2.161 0.103 1.00 0.00 H new ATOM 779 N TYR A 54 14.019 -3.054 -3.780 1.00 0.00 N ATOM 780 CA TYR A 54 12.709 -3.099 -4.408 1.00 0.00 C ATOM 781 C TYR A 54 11.621 -2.630 -3.441 1.00 0.00 C ATOM 782 O TYR A 54 10.846 -1.730 -3.764 1.00 0.00 O ATOM 783 CB TYR A 54 12.462 -4.567 -4.761 1.00 0.00 C ATOM 784 CG TYR A 54 12.992 -5.556 -3.722 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.342 -5.835 -3.661 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.121 -6.169 -2.844 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.841 -6.766 -2.683 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.621 -7.100 -1.866 1.00 0.00 C ATOM 789 CZ TYR A 54 13.957 -7.352 -1.833 1.00 0.00 C ATOM 790 OH TYR A 54 14.429 -8.232 -0.909 1.00 0.00 O ATOM 0 H TYR A 54 14.337 -3.942 -3.392 1.00 0.00 H new ATOM 0 HA TYR A 54 12.679 -2.447 -5.281 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.391 -4.725 -4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.928 -4.782 -5.723 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.024 -5.355 -4.347 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.064 -5.950 -2.891 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.895 -6.994 -2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.950 -7.587 -1.174 1.00 0.00 H new ATOM 0 HH TYR A 54 13.684 -8.571 -0.370 1.00 0.00 H new ATOM 800 N GLU A 55 11.597 -3.259 -2.274 1.00 0.00 N ATOM 801 CA GLU A 55 10.617 -2.916 -1.259 1.00 0.00 C ATOM 802 C GLU A 55 10.344 -1.410 -1.271 1.00 0.00 C ATOM 803 O GLU A 55 10.777 -0.692 -0.371 1.00 0.00 O ATOM 804 CB GLU A 55 11.075 -3.381 0.124 1.00 0.00 C ATOM 805 CG GLU A 55 10.621 -4.816 0.401 1.00 0.00 C ATOM 806 CD GLU A 55 10.856 -5.193 1.864 1.00 0.00 C ATOM 807 OE1 GLU A 55 11.791 -5.949 2.168 1.00 0.00 O ATOM 808 OE2 GLU A 55 10.026 -4.670 2.702 1.00 0.00 O ATOM 0 H GLU A 55 12.241 -4.004 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 55 9.686 -3.435 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.161 -3.321 0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.672 -2.715 0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.563 -4.919 0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.164 -5.504 -0.247 1.00 0.00 H new ATOM 816 N GLU A 56 9.629 -0.979 -2.298 1.00 0.00 N ATOM 817 CA GLU A 56 9.295 0.428 -2.438 1.00 0.00 C ATOM 818 C GLU A 56 8.007 0.746 -1.676 1.00 0.00 C ATOM 819 O GLU A 56 6.913 0.658 -2.235 1.00 0.00 O ATOM 820 CB GLU A 56 9.171 0.818 -3.913 1.00 0.00 C ATOM 821 CG GLU A 56 10.093 1.991 -4.250 1.00 0.00 C ATOM 822 CD GLU A 56 9.417 2.959 -5.222 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.179 3.005 -5.291 1.00 0.00 O ATOM 824 OE2 GLU A 56 10.225 3.683 -5.922 1.00 0.00 O ATOM 0 H GLU A 56 9.271 -1.579 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 56 10.104 1.018 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.421 -0.037 -4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.138 1.087 -4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.365 2.519 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.018 1.617 -4.689 1.00 0.00 H new ATOM 832 N VAL A 57 8.178 1.109 -0.415 1.00 0.00 N ATOM 833 CA VAL A 57 7.042 1.439 0.430 1.00 0.00 C ATOM 834 C VAL A 57 6.858 2.958 0.458 1.00 0.00 C ATOM 835 O VAL A 57 7.797 3.705 0.186 1.00 0.00 O ATOM 836 CB VAL A 57 7.232 0.835 1.822 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.893 0.713 2.554 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.936 -0.521 1.741 1.00 0.00 C ATOM 0 H VAL A 57 9.086 1.182 0.044 1.00 0.00 H new ATOM 0 HA VAL A 57 6.127 1.007 0.025 1.00 0.00 H new ATOM 0 HB VAL A 57 7.868 1.509 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.056 0.281 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.445 1.701 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.223 0.070 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.058 -0.928 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.337 -1.207 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.915 -0.396 1.279 1.00 0.00 H new ATOM 848 N THR A 58 5.644 3.369 0.789 1.00 0.00 N ATOM 849 CA THR A 58 5.324 4.785 0.856 1.00 0.00 C ATOM 850 C THR A 58 4.696 5.127 2.208 1.00 0.00 C ATOM 851 O THR A 58 5.060 4.547 3.230 1.00 0.00 O ATOM 852 CB THR A 58 4.424 5.124 -0.335 1.00 0.00 C ATOM 853 OG1 THR A 58 4.894 4.272 -1.378 1.00 0.00 O ATOM 854 CG2 THR A 58 4.668 6.537 -0.869 1.00 0.00 C ATOM 0 H THR A 58 4.868 2.746 1.014 1.00 0.00 H new ATOM 0 HA THR A 58 6.224 5.397 0.787 1.00 0.00 H new ATOM 0 HB THR A 58 3.379 5.022 -0.042 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.617 3.350 -1.197 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.005 6.727 -1.713 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.469 7.263 -0.081 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.704 6.629 -1.194 1.00 0.00 H new ATOM 862 N CYS A 59 3.762 6.067 2.171 1.00 0.00 N ATOM 863 CA CYS A 59 3.082 6.494 3.380 1.00 0.00 C ATOM 864 C CYS A 59 1.701 7.027 2.992 1.00 0.00 C ATOM 865 O CYS A 59 1.397 7.170 1.809 1.00 0.00 O ATOM 866 CB CYS A 59 3.898 7.532 4.153 1.00 0.00 C ATOM 867 SG CYS A 59 5.152 6.697 5.192 1.00 0.00 S ATOM 0 H CYS A 59 3.461 6.544 1.321 1.00 0.00 H new ATOM 0 HA CYS A 59 2.967 5.645 4.054 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.386 8.214 3.457 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.238 8.133 4.778 1.00 0.00 H new ATOM 0 HG CYS A 59 6.305 7.276 5.031 1.00 0.00 H new ATOM 873 N CYS A 60 0.902 7.308 4.011 1.00 0.00 N ATOM 874 CA CYS A 60 -0.440 7.822 3.791 1.00 0.00 C ATOM 875 C CYS A 60 -1.106 8.022 5.153 1.00 0.00 C ATOM 876 O CYS A 60 -1.359 7.058 5.873 1.00 0.00 O ATOM 877 CB CYS A 60 -1.257 6.899 2.886 1.00 0.00 C ATOM 878 SG CYS A 60 -2.922 6.638 3.598 1.00 0.00 S ATOM 0 H CYS A 60 1.158 7.190 4.991 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.386 8.778 3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.342 7.335 1.890 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.747 5.942 2.773 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.818 6.409 4.873 1.00 0.00 H new ATOM 884 N SER A 61 -1.372 9.282 5.466 1.00 0.00 N ATOM 885 CA SER A 61 -2.005 9.623 6.728 1.00 0.00 C ATOM 886 C SER A 61 -3.442 10.088 6.486 1.00 0.00 C ATOM 887 O SER A 61 -4.328 9.823 7.296 1.00 0.00 O ATOM 888 CB SER A 61 -1.214 10.705 7.467 1.00 0.00 C ATOM 889 OG SER A 61 -1.517 12.010 6.985 1.00 0.00 O ATOM 0 H SER A 61 -1.160 10.079 4.866 1.00 0.00 H new ATOM 0 HA SER A 61 -2.020 8.731 7.354 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.435 10.652 8.533 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.147 10.515 7.353 1.00 0.00 H new ATOM 0 HG SER A 61 -0.994 12.672 7.483 1.00 0.00 H new ATOM 895 N THR A 62 -3.627 10.774 5.368 1.00 0.00 N ATOM 896 CA THR A 62 -4.941 11.279 5.008 1.00 0.00 C ATOM 897 C THR A 62 -5.992 10.175 5.145 1.00 0.00 C ATOM 898 O THR A 62 -5.652 8.999 5.253 1.00 0.00 O ATOM 899 CB THR A 62 -4.853 11.864 3.596 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.488 11.679 3.229 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.042 13.382 3.580 1.00 0.00 C ATOM 0 H THR A 62 -2.888 10.992 4.699 1.00 0.00 H new ATOM 0 HA THR A 62 -5.259 12.073 5.684 1.00 0.00 H new ATOM 0 HB THR A 62 -5.606 11.398 2.961 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.251 10.732 3.316 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.971 13.747 2.555 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.022 13.631 3.986 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.268 13.851 4.187 1.00 0.00 H new ATOM 909 N ASP A 63 -7.248 10.595 5.135 1.00 0.00 N ATOM 910 CA ASP A 63 -8.352 9.658 5.257 1.00 0.00 C ATOM 911 C ASP A 63 -8.480 8.856 3.958 1.00 0.00 C ATOM 912 O ASP A 63 -9.000 9.359 2.965 1.00 0.00 O ATOM 913 CB ASP A 63 -9.674 10.390 5.492 1.00 0.00 C ATOM 914 CG ASP A 63 -10.073 10.546 6.961 1.00 0.00 C ATOM 915 OD1 ASP A 63 -9.664 11.503 7.635 1.00 0.00 O ATOM 916 OD2 ASP A 63 -10.849 9.621 7.416 1.00 0.00 O ATOM 0 H ASP A 63 -7.526 11.572 5.044 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.147 9.004 6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.609 11.380 5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.467 9.854 4.970 1.00 0.00 H new ATOM 922 N LYS A 64 -7.998 7.624 4.012 1.00 0.00 N ATOM 923 CA LYS A 64 -8.051 6.749 2.852 1.00 0.00 C ATOM 924 C LYS A 64 -7.130 7.299 1.761 1.00 0.00 C ATOM 925 O LYS A 64 -7.543 7.446 0.612 1.00 0.00 O ATOM 926 CB LYS A 64 -9.498 6.553 2.396 1.00 0.00 C ATOM 927 CG LYS A 64 -10.341 5.915 3.502 1.00 0.00 C ATOM 928 CD LYS A 64 -11.821 5.884 3.114 1.00 0.00 C ATOM 929 CE LYS A 64 -12.622 5.009 4.080 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.205 3.850 3.369 1.00 0.00 N ATOM 0 H LYS A 64 -7.569 7.210 4.840 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.684 5.755 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.928 7.515 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.521 5.922 1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.990 4.901 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.216 6.475 4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.223 6.897 3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.927 5.502 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.976 4.661 4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.416 5.598 4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.476 3.120 4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.046 4.155 2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.503 3.459 2.709 1.00 0.00 H new ATOM 944 N CYS A 65 -5.900 7.585 2.159 1.00 0.00 N ATOM 945 CA CYS A 65 -4.916 8.116 1.229 1.00 0.00 C ATOM 946 C CYS A 65 -4.008 6.967 0.783 1.00 0.00 C ATOM 947 O CYS A 65 -2.852 7.188 0.428 1.00 0.00 O ATOM 948 CB CYS A 65 -4.119 9.267 1.844 1.00 0.00 C ATOM 949 SG CYS A 65 -3.769 8.916 3.606 1.00 0.00 S ATOM 0 H CYS A 65 -5.561 7.459 3.113 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.423 8.536 0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.185 9.405 1.300 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.680 10.197 1.755 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.947 7.650 3.840 1.00 0.00 H new ATOM 955 N ASN A 66 -4.567 5.766 0.817 1.00 0.00 N ATOM 956 CA ASN A 66 -3.823 4.583 0.422 1.00 0.00 C ATOM 957 C ASN A 66 -4.364 4.068 -0.915 1.00 0.00 C ATOM 958 O ASN A 66 -4.003 2.979 -1.356 1.00 0.00 O ATOM 959 CB ASN A 66 -3.975 3.465 1.455 1.00 0.00 C ATOM 960 CG ASN A 66 -2.623 3.101 2.072 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.399 1.995 2.534 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.735 4.092 2.052 1.00 0.00 N ATOM 0 H ASN A 66 -5.527 5.587 1.112 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.771 4.858 0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.663 3.781 2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.412 2.585 0.982 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.802 3.949 2.439 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.987 4.995 1.650 1.00 0.00 H new ATOM 969 N PRO A 67 -5.243 4.899 -1.537 1.00 0.00 N ATOM 970 CA PRO A 67 -5.838 4.539 -2.813 1.00 0.00 C ATOM 971 C PRO A 67 -4.829 4.697 -3.952 1.00 0.00 C ATOM 972 O PRO A 67 -4.969 5.587 -4.791 1.00 0.00 O ATOM 973 CB PRO A 67 -7.044 5.451 -2.956 1.00 0.00 C ATOM 974 CG PRO A 67 -6.817 6.600 -1.985 1.00 0.00 C ATOM 975 CD PRO A 67 -5.694 6.197 -1.044 1.00 0.00 C ATOM 0 HA PRO A 67 -6.140 3.493 -2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.138 5.817 -3.979 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.966 4.919 -2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.555 7.510 -2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.727 6.812 -1.425 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.885 6.928 -1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.046 6.129 -0.015 1.00 0.00 H new ATOM 983 N HIS A 68 -3.833 3.822 -3.945 1.00 0.00 N ATOM 984 CA HIS A 68 -2.801 3.855 -4.966 1.00 0.00 C ATOM 985 C HIS A 68 -3.425 4.220 -6.314 1.00 0.00 C ATOM 986 O HIS A 68 -4.625 4.039 -6.518 1.00 0.00 O ATOM 987 CB HIS A 68 -2.035 2.532 -5.006 1.00 0.00 C ATOM 988 CG HIS A 68 -2.919 1.313 -5.125 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.784 0.386 -6.144 1.00 0.00 N ATOM 990 CD2 HIS A 68 -3.949 0.880 -4.344 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.698 -0.558 -5.972 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.419 -0.250 -4.856 1.00 0.00 N ATOM 0 H HIS A 68 -3.720 3.086 -3.248 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.068 4.625 -4.724 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.343 2.550 -5.848 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.433 2.445 -4.101 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.098 0.423 -6.898 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.320 1.374 -3.458 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.846 -1.420 -6.605 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.560 4.741 -7.226 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.013 5.135 -8.549 1.00 0.00 C ATOM 1003 C PRO A 69 -3.257 3.909 -9.431 1.00 0.00 C ATOM 1004 O PRO A 69 -2.310 3.285 -9.910 1.00 0.00 O ATOM 1005 CB PRO A 69 -1.920 6.045 -9.086 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.689 5.758 -8.242 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.132 4.970 -7.020 1.00 0.00 C ATOM 0 HA PRO A 69 -3.970 5.656 -8.528 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.727 5.844 -10.140 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.211 7.093 -9.009 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.043 5.191 -8.816 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.207 6.688 -7.942 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.588 4.029 -6.936 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.948 5.527 -6.101 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.531 3.598 -9.619 1.00 0.00 N ATOM 1016 CA LYS A 70 -4.911 2.457 -10.435 1.00 0.00 C ATOM 1017 C LYS A 70 -6.369 2.613 -10.874 1.00 0.00 C ATOM 1018 O LYS A 70 -6.700 2.376 -12.034 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.629 1.149 -9.692 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.776 1.400 -8.447 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.515 2.290 -7.445 1.00 0.00 C ATOM 1022 CE LYS A 70 -5.991 1.897 -7.350 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.769 2.966 -6.684 1.00 0.00 N ATOM 0 H LYS A 70 -5.314 4.116 -9.220 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.307 2.418 -11.341 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.570 0.680 -9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.115 0.453 -10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.524 0.449 -7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.837 1.873 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.048 2.205 -6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.431 3.334 -7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.390 1.716 -8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.091 0.965 -6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.943 2.703 -5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.234 3.857 -6.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.678 3.090 -7.174 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.202 3.010 -9.921 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.615 3.198 -10.195 1.00 0.00 C ATOM 1039 C GLN A 71 -8.806 4.193 -11.342 1.00 0.00 C ATOM 1040 O GLN A 71 -9.033 5.379 -11.108 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.360 3.658 -8.940 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.680 2.473 -8.027 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.356 2.943 -6.736 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -11.505 3.349 -6.718 1.00 0.00 O ATOM 1045 NE2 GLN A 71 -9.577 2.864 -5.661 1.00 0.00 N ATOM 0 H GLN A 71 -6.924 3.206 -8.959 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.037 2.240 -10.498 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.754 4.385 -8.399 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.284 4.162 -9.225 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.332 1.773 -8.549 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.762 1.936 -7.787 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.623 2.514 -5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.934 3.153 -4.750 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.707 3.673 -12.556 1.00 0.00 N ATOM 1055 CA ARG A 72 -8.864 4.501 -13.740 1.00 0.00 C ATOM 1056 C ARG A 72 -9.574 3.717 -14.845 1.00 0.00 C ATOM 1057 O ARG A 72 -10.659 4.099 -15.283 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.508 4.985 -14.258 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.500 5.059 -15.787 1.00 0.00 C ATOM 1060 CD ARG A 72 -6.322 5.894 -16.289 1.00 0.00 C ATOM 1061 NE ARG A 72 -5.862 5.384 -17.599 1.00 0.00 N ATOM 1062 CZ ARG A 72 -5.238 4.200 -17.775 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -4.997 3.392 -16.722 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -4.870 3.844 -18.992 1.00 0.00 N ATOM 0 H ARG A 72 -8.520 2.688 -12.746 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.464 5.368 -13.461 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.285 5.967 -13.842 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.723 4.309 -13.919 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.441 4.053 -16.203 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.435 5.495 -16.138 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.619 6.939 -16.380 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.506 5.856 -15.568 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.027 5.964 -18.422 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.287 3.674 -15.786 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.525 2.499 -16.862 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.058 4.460 -19.783 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.397 2.953 -19.142 1.00 0.00 H new ATOM 1078 N PRO A 73 -8.918 2.607 -15.276 1.00 0.00 N ATOM 1079 CA PRO A 73 -9.475 1.766 -16.322 1.00 0.00 C ATOM 1080 C PRO A 73 -10.630 0.917 -15.785 1.00 0.00 C ATOM 1081 O PRO A 73 -10.564 -0.311 -15.806 1.00 0.00 O ATOM 1082 CB PRO A 73 -8.307 0.932 -16.820 1.00 0.00 C ATOM 1083 CG PRO A 73 -7.251 1.000 -15.729 1.00 0.00 C ATOM 1084 CD PRO A 73 -7.632 2.124 -14.781 1.00 0.00 C ATOM 0 HA PRO A 73 -9.912 2.342 -17.138 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.613 -0.098 -17.004 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.921 1.323 -17.762 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.194 0.052 -15.194 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.267 1.182 -16.161 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.712 1.766 -13.755 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.883 2.916 -14.785 1.00 0.00 H new ATOM 1092 N GLY A 74 -11.661 1.606 -15.318 1.00 0.00 N ATOM 1093 CA GLY A 74 -12.829 0.932 -14.777 1.00 0.00 C ATOM 1094 C GLY A 74 -12.424 -0.110 -13.731 1.00 0.00 C ATOM 1095 O GLY A 74 -12.825 -0.018 -12.572 1.00 0.00 O ATOM 0 H GLY A 74 -11.712 2.625 -15.303 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.500 1.664 -14.326 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.380 0.448 -15.583 1.00 0.00 H new ATOM 1100 N HIS B 1 -7.062 -10.504 -10.784 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.445 -10.015 -9.470 1.00 0.00 C ATOM 1102 C HIS B 1 -6.201 -9.544 -8.715 1.00 0.00 C ATOM 1103 O HIS B 1 -5.535 -10.337 -8.051 1.00 0.00 O ATOM 1104 CB HIS B 1 -8.237 -11.077 -8.705 1.00 0.00 C ATOM 1105 CG HIS B 1 -8.580 -10.685 -7.287 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -7.617 -10.448 -6.322 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -9.786 -10.489 -6.684 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -8.227 -10.126 -5.192 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -9.572 -10.154 -5.417 1.00 0.00 N ATOM 0 H1 HIS B 1 -7.895 -10.901 -11.263 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.680 -9.719 -11.349 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.337 -11.242 -10.682 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.109 -9.157 -9.576 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -9.160 -11.287 -9.246 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -7.661 -12.002 -8.686 1.00 0.00 H new ATOM 0 HD1 HIS B 1 -6.608 -10.511 -6.458 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -10.752 -10.589 -7.156 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -7.745 -9.884 -4.257 1.00 0.00 H new ATOM 1118 N ARG B 2 -5.924 -8.254 -8.842 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.770 -7.668 -8.181 1.00 0.00 C ATOM 1120 C ARG B 2 -4.944 -6.154 -8.054 1.00 0.00 C ATOM 1121 O ARG B 2 -5.831 -5.572 -8.678 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.484 -7.963 -8.953 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.670 -9.061 -8.263 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.408 -8.485 -7.618 1.00 0.00 C ATOM 1125 NE ARG B 2 -0.949 -9.373 -6.525 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.685 -9.674 -5.435 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -2.924 -9.162 -5.283 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.175 -10.477 -4.521 1.00 0.00 N ATOM 0 H ARG B 2 -6.479 -7.599 -9.393 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.695 -8.114 -7.189 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.728 -8.271 -9.970 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -2.885 -7.055 -9.030 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.281 -9.548 -7.503 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.395 -9.826 -8.990 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.623 -8.379 -8.366 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.612 -7.488 -7.227 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.018 -9.783 -6.601 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.311 -8.542 -5.995 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.474 -9.394 -4.456 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.238 -10.860 -4.644 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.718 -10.715 -3.691 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.086 -5.557 -7.240 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.134 -4.122 -7.023 1.00 0.00 C ATOM 1144 C TYR B 3 -2.849 -3.449 -7.509 1.00 0.00 C ATOM 1145 O TYR B 3 -2.239 -2.667 -6.782 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.255 -3.928 -5.510 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.515 -5.221 -4.736 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.461 -6.043 -4.393 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.803 -5.567 -4.380 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.705 -7.261 -3.663 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -6.047 -6.783 -3.651 1.00 0.00 C ATOM 1152 CZ TYR B 3 -4.987 -7.571 -3.329 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.218 -8.721 -2.640 1.00 0.00 O ATOM 0 H TYR B 3 -3.353 -6.042 -6.722 1.00 0.00 H new ATOM 0 HA TYR B 3 -4.967 -3.680 -7.570 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.337 -3.472 -5.138 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.064 -3.226 -5.308 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.453 -5.773 -4.672 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.628 -4.924 -4.649 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.889 -7.913 -3.387 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.050 -7.064 -3.366 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.708 -8.516 -1.816 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.474 -3.781 -8.737 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.272 -3.220 -9.329 1.00 0.00 C ATOM 1165 C TYR B 4 -1.347 -1.692 -9.379 1.00 0.00 C ATOM 1166 O TYR B 4 -2.206 -1.087 -8.739 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.213 -3.762 -10.758 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.237 -4.928 -10.941 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.664 -6.223 -10.727 1.00 0.00 C ATOM 1170 CD2 TYR B 4 1.067 -4.683 -11.319 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.254 -7.320 -10.900 1.00 0.00 C ATOM 1172 CE2 TYR B 4 1.984 -5.779 -11.492 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.533 -7.044 -11.273 1.00 0.00 C ATOM 1174 OH TYR B 4 2.399 -8.080 -11.436 1.00 0.00 O ATOM 0 H TYR B 4 -2.982 -4.431 -9.337 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.394 -3.490 -8.743 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.211 -4.086 -11.054 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -0.928 -2.953 -11.431 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.685 -6.414 -10.430 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.400 -3.669 -11.485 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -0.066 -8.339 -10.737 1.00 0.00 H new ATOM 0 HE2 TYR B 4 3.007 -5.601 -11.789 1.00 0.00 H new ATOM 0 HH TYR B 4 3.095 -8.036 -10.747 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.435 -1.111 -10.147 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.387 0.333 -10.288 1.00 0.00 C ATOM 1186 C GLU B 5 -0.920 0.751 -11.660 1.00 0.00 C ATOM 1187 O GLU B 5 -0.375 1.652 -12.295 1.00 0.00 O ATOM 1188 CB GLU B 5 1.034 0.859 -10.069 1.00 0.00 C ATOM 1189 CG GLU B 5 1.863 0.749 -11.350 1.00 0.00 C ATOM 1190 CD GLU B 5 2.314 2.130 -11.830 1.00 0.00 C ATOM 1191 OE1 GLU B 5 1.629 3.131 -11.574 1.00 0.00 O ATOM 1192 OE2 GLU B 5 3.421 2.141 -12.494 1.00 0.00 O ATOM 0 H GLU B 5 0.276 -1.615 -10.677 1.00 0.00 H new ATOM 0 HA GLU B 5 -1.025 0.774 -9.522 1.00 0.00 H new ATOM 0 HB2 GLU B 5 0.995 1.899 -9.745 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.515 0.295 -9.270 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.735 0.120 -11.171 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.274 0.264 -12.128 1.00 0.00 H new ATOM 1200 N SER B 6 -1.979 0.075 -12.078 1.00 0.00 N ATOM 1201 CA SER B 6 -2.593 0.362 -13.364 1.00 0.00 C ATOM 1202 C SER B 6 -4.104 0.137 -13.286 1.00 0.00 C ATOM 1203 O SER B 6 -4.839 0.508 -14.199 1.00 0.00 O ATOM 1204 CB SER B 6 -1.983 -0.500 -14.471 1.00 0.00 C ATOM 1205 OG SER B 6 -2.542 -0.203 -15.747 1.00 0.00 O ATOM 0 H SER B 6 -2.429 -0.672 -11.549 1.00 0.00 H new ATOM 0 HA SER B 6 -2.401 1.407 -13.608 1.00 0.00 H new ATOM 0 HB2 SER B 6 -0.905 -0.342 -14.502 1.00 0.00 H new ATOM 0 HB3 SER B 6 -2.144 -1.553 -14.241 1.00 0.00 H new ATOM 0 HG SER B 6 -3.410 0.236 -15.630 1.00 0.00 H new ATOM 1211 N SER B 7 -4.523 -0.472 -12.186 1.00 0.00 N ATOM 1212 CA SER B 7 -5.934 -0.752 -11.976 1.00 0.00 C ATOM 1213 C SER B 7 -6.176 -1.163 -10.523 1.00 0.00 C ATOM 1214 O SER B 7 -5.228 -1.381 -9.770 1.00 0.00 O ATOM 1215 CB SER B 7 -6.423 -1.848 -12.926 1.00 0.00 C ATOM 1216 OG SER B 7 -7.752 -2.261 -12.622 1.00 0.00 O ATOM 0 H SER B 7 -3.910 -0.779 -11.431 1.00 0.00 H new ATOM 0 HA SER B 7 -6.499 0.156 -12.188 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.382 -1.483 -13.952 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.753 -2.706 -12.866 1.00 0.00 H new ATOM 0 HG SER B 7 -8.363 -1.502 -12.729 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.449 -1.257 -10.172 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.827 -1.638 -8.822 1.00 0.00 C ATOM 1224 C LEU B 8 -8.849 -2.775 -8.884 1.00 0.00 C ATOM 1225 O LEU B 8 -9.059 -3.481 -7.899 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.315 -0.417 -8.038 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.258 -0.533 -6.513 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.431 -1.358 -5.982 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -6.910 -1.093 -6.056 1.00 0.00 C ATOM 0 H LEU B 8 -8.233 -1.076 -10.799 1.00 0.00 H new ATOM 0 HA LEU B 8 -6.962 -2.015 -8.277 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.720 0.445 -8.340 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.345 -0.211 -8.329 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.351 0.467 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.367 -1.425 -4.896 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.369 -0.878 -6.261 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.395 -2.360 -6.410 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.896 -1.165 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.762 -2.083 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.110 -0.430 -6.386 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.457 -2.918 -10.052 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.452 -3.958 -10.256 1.00 0.00 C ATOM 1243 C GLU B 9 -9.774 -5.268 -10.663 1.00 0.00 C ATOM 1244 O GLU B 9 -8.783 -5.257 -11.392 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.488 -3.530 -11.298 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.088 -2.167 -10.946 1.00 0.00 C ATOM 1247 CD GLU B 9 -12.560 -2.136 -9.492 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -13.740 -2.399 -9.216 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -11.652 -1.823 -8.631 1.00 0.00 O ATOM 0 H GLU B 9 -9.280 -2.331 -10.867 1.00 0.00 H new ATOM 0 HA GLU B 9 -10.978 -4.120 -9.315 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.022 -3.483 -12.282 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.280 -4.276 -11.356 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.345 -1.386 -11.108 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.926 -1.952 -11.609 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.349 -6.394 -10.161 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.812 -7.708 -10.464 1.00 0.00 C ATOM 1259 C PRO B 10 -10.161 -8.127 -11.893 1.00 0.00 C ATOM 1260 O PRO B 10 -10.292 -9.316 -12.181 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.410 -8.629 -9.413 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.614 -7.893 -8.849 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.524 -6.442 -9.293 1.00 0.00 C ATOM 0 HA PRO B 10 -8.723 -7.736 -10.427 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.705 -9.582 -9.852 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.685 -8.850 -8.629 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.539 -8.345 -9.206 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.627 -7.959 -7.761 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.423 -6.134 -9.826 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.414 -5.772 -8.440 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.299 -7.127 -12.751 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.630 -7.376 -14.145 1.00 0.00 C ATOM 1273 C TRP B 11 -9.591 -6.665 -15.012 1.00 0.00 C ATOM 1274 O TRP B 11 -9.178 -7.187 -16.047 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.064 -6.942 -14.453 1.00 0.00 C ATOM 1276 CG TRP B 11 -12.697 -7.682 -15.634 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -12.600 -8.981 -15.942 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -13.535 -7.106 -16.659 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.310 -9.285 -17.086 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -13.897 -8.109 -17.534 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -13.973 -5.782 -16.838 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -14.713 -7.893 -18.652 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -14.789 -5.584 -17.961 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -15.162 -6.582 -18.851 1.00 0.00 C ATOM 0 H TRP B 11 -10.188 -6.143 -12.508 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.595 -8.443 -14.365 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.679 -7.099 -13.567 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.072 -5.872 -14.661 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.037 -9.701 -15.367 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -13.389 -10.204 -17.522 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -13.703 -4.982 -16.165 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -14.981 -8.695 -19.324 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -15.153 -4.584 -18.147 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -15.796 -6.348 -19.693 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.196 -5.484 -14.558 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.213 -4.695 -15.281 1.00 0.00 C ATOM 1297 C TYR B 12 -6.804 -4.949 -14.741 1.00 0.00 C ATOM 1298 O TYR B 12 -5.836 -4.955 -15.501 1.00 0.00 O ATOM 1299 CB TYR B 12 -8.583 -3.231 -15.037 1.00 0.00 C ATOM 1300 CG TYR B 12 -9.750 -2.734 -15.893 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -9.514 -2.253 -17.166 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -11.036 -2.766 -15.395 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -10.611 -1.783 -17.973 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -12.132 -2.297 -16.202 1.00 0.00 C ATOM 1305 CZ TYR B 12 -11.866 -1.830 -17.451 1.00 0.00 C ATOM 1306 OH TYR B 12 -12.902 -1.387 -18.213 1.00 0.00 O ATOM 0 H TYR B 12 -9.539 -5.055 -13.699 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.216 -4.955 -16.340 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -8.836 -3.101 -13.985 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -7.710 -2.608 -15.234 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -8.507 -2.229 -17.556 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -11.221 -3.143 -14.400 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -10.441 -1.402 -18.969 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -13.143 -2.316 -15.824 1.00 0.00 H new ATOM 0 HH TYR B 12 -13.740 -1.481 -17.713 1.00 0.00 H new ATOM 1316 N PRO B 13 -6.730 -5.157 -13.399 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.457 -5.411 -12.749 1.00 0.00 C ATOM 1318 C PRO B 13 -4.970 -6.833 -13.031 1.00 0.00 C ATOM 1319 O PRO B 13 -3.781 -7.053 -13.261 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.709 -5.150 -11.272 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.217 -5.216 -11.091 1.00 0.00 C ATOM 1322 CD PRO B 13 -7.856 -5.157 -12.468 1.00 0.00 C ATOM 0 HA PRO B 13 -4.659 -4.769 -13.122 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.208 -5.894 -10.652 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.322 -4.175 -10.976 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.500 -6.135 -10.578 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.564 -4.387 -10.474 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.510 -6.012 -12.638 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.466 -4.261 -12.584 1.00 0.00 H new ATOM 1330 N ASP B 14 -5.912 -7.763 -13.005 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.594 -9.158 -13.255 1.00 0.00 C ATOM 1332 C ASP B 14 -6.893 -9.965 -13.348 1.00 0.00 C ATOM 1333 O ASP B 14 -7.395 -10.212 -14.443 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.755 -9.744 -12.119 1.00 0.00 C ATOM 1335 CG ASP B 14 -4.813 -11.268 -11.990 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -4.795 -11.818 -10.879 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.878 -11.907 -13.110 1.00 0.00 O ATOM 0 H ASP B 14 -6.897 -7.578 -12.814 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.030 -9.213 -14.186 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.717 -9.446 -12.264 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.085 -9.302 -11.179 1.00 0.00 H new