USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=40 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+ -153:sc= -1.32! (180deg=-4.7!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= 0.841 F(o=-13!,f=-0.48) USER MOD Set 2.1: A 3 CYS SG : rot -98:sc= -12! USER MOD Set 2.2: A 16 CYS SG : rot 118:sc= -5.04! USER MOD Set 2.3: A 23 CYS SG : rot -88:sc= -12.2! USER MOD Set 2.4: A 44 CYS SG : rot -74:sc= -13! USER MOD Set 2.5: A 60 CYS SG : rot -40:sc= -21.2! USER MOD Set 2.6: A 62 THR OG1 : rot 52:sc= -1.92! USER MOD Set 2.7: A 65 CYS SG : rot 17:sc= -27.2! USER MOD Set 2.8: A 66 ASN : amide:sc= -11! C(o=-1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -43:sc= 0.347! USER MOD Set 3.2: A 59 CYS SG : rot 131:sc= -9.14! USER MOD Set 4.1: A 29 CYS SG : rot -145:sc= -4.1! USER MOD Set 4.2: A 33 CYS SG : rot -54:sc= 1.63! USER MOD Set 5.1: A 5 THR OG1 : rot -27:sc= 1.47 USER MOD Set 5.2: A 8 THR OG1 : rot 78:sc= -1.57 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= 0.0473 USER MOD Single : A 1 ILE N :NH3+ -118:sc= -0.172 (180deg=-0.47) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -12.2! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -74:sc= -2.18 USER MOD Single : A 12 SER OG : rot 180:sc= -1.1 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0978 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.9 F(o=-5.4!,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= -1.22 (180deg=-1.7!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 92:sc= 1.09 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -0.975 (180deg=-1.37) 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= -0.0592 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -31.8! C(o=-32!,f=-38!) USER MOD Single : B 1 HIS : no HE2:sc= -1.14! C(o=-1.1!,f=-2!) USER MOD Single : B 1 HIS N :NH3+ -173:sc= -21.5! (180deg=-22.1!) USER MOD Single : B 3 TYR OH : rot -59:sc= 0.225 USER MOD Single : B 4 TYR OH : rot 60:sc= -0.789 USER MOD Single : B 6 SER OG : rot -25:sc= 0.0953 USER MOD Single : B 7 SER OG : rot 77:sc= -6.02! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.862 6.503 12.379 1.00 0.00 N ATOM 2 CA ILE A 1 -6.490 6.639 11.076 1.00 0.00 C ATOM 3 C ILE A 1 -6.766 5.249 10.500 1.00 0.00 C ATOM 4 O ILE A 1 -6.639 4.247 11.201 1.00 0.00 O ATOM 5 CB ILE A 1 -5.641 7.525 10.163 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.251 6.922 9.950 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.568 8.956 10.699 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.569 7.534 8.725 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.473 6.928 13.105 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.720 5.495 12.592 1.00 0.00 H new ATOM 0 H3 ILE A 1 -4.942 6.989 12.374 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.452 7.143 11.167 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.125 7.571 9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.638 7.092 10.835 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.335 5.843 9.823 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.958 9.564 10.031 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.573 9.375 10.756 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.121 8.950 11.693 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.583 7.088 8.597 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.173 7.341 7.838 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.465 8.610 8.866 1.00 0.00 H new ATOM 20 N VAL A 2 -7.141 5.234 9.229 1.00 0.00 N ATOM 21 CA VAL A 2 -7.436 3.982 8.551 1.00 0.00 C ATOM 22 C VAL A 2 -6.548 3.856 7.311 1.00 0.00 C ATOM 23 O VAL A 2 -6.081 4.860 6.773 1.00 0.00 O ATOM 24 CB VAL A 2 -8.929 3.904 8.228 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.357 2.458 7.965 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.766 4.529 9.345 1.00 0.00 C ATOM 0 H VAL A 2 -7.247 6.068 8.651 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.211 3.134 9.198 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.105 4.477 7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.423 2.430 7.738 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.795 2.060 7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.158 1.853 8.850 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.823 4.460 9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.583 3.997 10.278 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.489 5.576 9.464 1.00 0.00 H new ATOM 36 N CYS A 3 -6.343 2.617 6.894 1.00 0.00 N ATOM 37 CA CYS A 3 -5.519 2.347 5.727 1.00 0.00 C ATOM 38 C CYS A 3 -6.110 1.143 4.989 1.00 0.00 C ATOM 39 O CYS A 3 -6.715 0.269 5.607 1.00 0.00 O ATOM 40 CB CYS A 3 -4.054 2.120 6.108 1.00 0.00 C ATOM 41 SG CYS A 3 -3.635 3.105 7.594 1.00 0.00 S ATOM 0 H CYS A 3 -6.733 1.788 7.342 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.524 3.215 5.067 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.880 1.062 6.302 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.406 2.403 5.279 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.050 4.208 7.233 1.00 0.00 H new ATOM 47 N HIS A 4 -5.915 1.140 3.679 1.00 0.00 N ATOM 48 CA HIS A 4 -6.421 0.058 2.851 1.00 0.00 C ATOM 49 C HIS A 4 -5.421 -1.102 2.853 1.00 0.00 C ATOM 50 O HIS A 4 -4.212 -0.883 2.907 1.00 0.00 O ATOM 51 CB HIS A 4 -6.744 0.558 1.442 1.00 0.00 C ATOM 52 CG HIS A 4 -7.403 1.917 1.410 1.00 0.00 C ATOM 53 ND1 HIS A 4 -6.982 3.099 0.877 1.00 0.00 N flip ATOM 54 CD2 HIS A 4 -8.643 2.163 1.972 1.00 0.00 C flip ATOM 55 CE1 HIS A 4 -7.913 4.017 1.100 1.00 0.00 C flip ATOM 56 NE2 HIS A 4 -8.944 3.438 1.780 1.00 0.00 N flip ATOM 0 H HIS A 4 -5.414 1.869 3.170 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.358 -0.314 3.266 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.822 0.598 0.861 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.398 -0.164 0.952 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -9.261 1.438 2.481 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.863 5.052 0.794 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -9.797 3.905 2.087 1.00 0.00 H new ATOM 65 N THR A 5 -5.965 -2.308 2.794 1.00 0.00 N ATOM 66 CA THR A 5 -5.136 -3.502 2.789 1.00 0.00 C ATOM 67 C THR A 5 -5.225 -4.206 1.434 1.00 0.00 C ATOM 68 O THR A 5 -6.285 -4.701 1.056 1.00 0.00 O ATOM 69 CB THR A 5 -5.570 -4.384 3.962 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.612 -5.192 3.422 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.256 -3.585 5.073 1.00 0.00 C ATOM 0 H THR A 5 -6.969 -2.485 2.749 1.00 0.00 H new ATOM 0 HA THR A 5 -4.083 -3.254 2.923 1.00 0.00 H new ATOM 0 HB THR A 5 -4.700 -4.900 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.041 -4.719 2.678 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.544 -4.258 5.881 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.569 -2.831 5.457 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.145 -3.096 4.674 1.00 0.00 H new ATOM 79 N THR A 6 -4.095 -4.231 0.741 1.00 0.00 N ATOM 80 CA THR A 6 -4.032 -4.867 -0.565 1.00 0.00 C ATOM 81 C THR A 6 -3.384 -6.247 -0.454 1.00 0.00 C ATOM 82 O THR A 6 -3.593 -7.106 -1.310 1.00 0.00 O ATOM 83 CB THR A 6 -3.294 -3.922 -1.515 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.878 -2.844 -0.680 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.229 -3.265 -2.532 1.00 0.00 C ATOM 0 H THR A 6 -3.217 -3.821 1.059 1.00 0.00 H new ATOM 0 HA THR A 6 -5.029 -5.043 -0.969 1.00 0.00 H new ATOM 0 HB THR A 6 -2.515 -4.474 -2.041 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.652 -2.285 -0.458 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.654 -2.605 -3.181 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.711 -4.035 -3.134 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.989 -2.686 -2.007 1.00 0.00 H new ATOM 93 N ALA A 7 -2.607 -6.418 0.606 1.00 0.00 N ATOM 94 CA ALA A 7 -1.926 -7.680 0.840 1.00 0.00 C ATOM 95 C ALA A 7 -2.911 -8.683 1.443 1.00 0.00 C ATOM 96 O ALA A 7 -3.038 -9.804 0.955 1.00 0.00 O ATOM 97 CB ALA A 7 -0.709 -7.444 1.738 1.00 0.00 C ATOM 0 H ALA A 7 -2.434 -5.703 1.313 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.563 -8.100 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.198 -8.390 1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.026 -6.748 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.035 -7.025 2.690 1.00 0.00 H new ATOM 103 N THR A 8 -3.584 -8.243 2.497 1.00 0.00 N ATOM 104 CA THR A 8 -4.553 -9.089 3.171 1.00 0.00 C ATOM 105 C THR A 8 -5.813 -9.240 2.318 1.00 0.00 C ATOM 106 O THR A 8 -5.810 -9.964 1.323 1.00 0.00 O ATOM 107 CB THR A 8 -4.824 -8.487 4.552 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.708 -7.081 4.348 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.718 -8.810 5.559 1.00 0.00 C ATOM 0 H THR A 8 -3.477 -7.312 2.900 1.00 0.00 H new ATOM 0 HA THR A 8 -4.168 -10.100 3.309 1.00 0.00 H new ATOM 0 HB THR A 8 -5.777 -8.858 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.526 -6.743 3.927 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.960 -8.360 6.522 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.635 -9.891 5.675 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.770 -8.410 5.199 1.00 0.00 H new ATOM 117 N SER A 9 -6.862 -8.548 2.738 1.00 0.00 N ATOM 118 CA SER A 9 -8.126 -8.598 2.024 1.00 0.00 C ATOM 119 C SER A 9 -7.951 -8.046 0.609 1.00 0.00 C ATOM 120 O SER A 9 -6.832 -7.967 0.103 1.00 0.00 O ATOM 121 CB SER A 9 -9.210 -7.813 2.768 1.00 0.00 C ATOM 122 OG SER A 9 -8.940 -7.722 4.164 1.00 0.00 O ATOM 0 H SER A 9 -6.862 -7.950 3.564 1.00 0.00 H new ATOM 0 HA SER A 9 -8.443 -9.639 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.285 -6.810 2.347 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.176 -8.295 2.616 1.00 0.00 H new ATOM 0 HG SER A 9 -9.653 -7.213 4.603 1.00 0.00 H new ATOM 128 N PRO A 10 -9.103 -7.670 -0.010 1.00 0.00 N ATOM 129 CA PRO A 10 -9.086 -7.129 -1.358 1.00 0.00 C ATOM 130 C PRO A 10 -8.572 -5.689 -1.365 1.00 0.00 C ATOM 131 O PRO A 10 -7.616 -5.369 -2.072 1.00 0.00 O ATOM 132 CB PRO A 10 -10.521 -7.248 -1.847 1.00 0.00 C ATOM 133 CG PRO A 10 -11.373 -7.419 -0.600 1.00 0.00 C ATOM 134 CD PRO A 10 -10.445 -7.749 0.558 1.00 0.00 C ATOM 0 HA PRO A 10 -8.407 -7.668 -2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.819 -6.360 -2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.636 -8.099 -2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.933 -6.507 -0.392 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.103 -8.216 -0.743 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.570 -7.043 1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.648 -8.742 0.958 1.00 0.00 H new ATOM 142 N ILE A 11 -9.225 -4.856 -0.568 1.00 0.00 N ATOM 143 CA ILE A 11 -8.846 -3.457 -0.473 1.00 0.00 C ATOM 144 C ILE A 11 -9.960 -2.676 0.227 1.00 0.00 C ATOM 145 O ILE A 11 -10.966 -2.334 -0.392 1.00 0.00 O ATOM 146 CB ILE A 11 -8.482 -2.905 -1.854 1.00 0.00 C ATOM 147 CG1 ILE A 11 -6.984 -2.608 -1.948 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.332 -1.680 -2.196 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.630 -2.006 -3.309 1.00 0.00 C ATOM 0 H ILE A 11 -10.015 -5.124 0.019 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.949 -3.347 0.136 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.706 -3.670 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.696 -1.918 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.417 -3.526 -1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.053 -1.308 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.386 -1.957 -2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.163 -0.901 -1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.560 -1.804 -3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.897 -2.709 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.180 -1.076 -3.450 1.00 0.00 H new ATOM 161 N SER A 12 -9.743 -2.418 1.508 1.00 0.00 N ATOM 162 CA SER A 12 -10.717 -1.684 2.300 1.00 0.00 C ATOM 163 C SER A 12 -10.013 -0.937 3.433 1.00 0.00 C ATOM 164 O SER A 12 -9.091 -1.466 4.052 1.00 0.00 O ATOM 165 CB SER A 12 -11.786 -2.622 2.864 1.00 0.00 C ATOM 166 OG SER A 12 -11.288 -3.410 3.942 1.00 0.00 O ATOM 0 H SER A 12 -8.907 -2.704 2.018 1.00 0.00 H new ATOM 0 HA SER A 12 -11.212 -0.962 1.651 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.639 -2.036 3.207 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.148 -3.278 2.072 1.00 0.00 H new ATOM 0 HG SER A 12 -12.000 -3.994 4.276 1.00 0.00 H new ATOM 172 N ALA A 13 -10.474 0.282 3.671 1.00 0.00 N ATOM 173 CA ALA A 13 -9.901 1.108 4.719 1.00 0.00 C ATOM 174 C ALA A 13 -10.401 0.620 6.080 1.00 0.00 C ATOM 175 O ALA A 13 -11.501 0.971 6.503 1.00 0.00 O ATOM 176 CB ALA A 13 -10.250 2.575 4.463 1.00 0.00 C ATOM 0 H ALA A 13 -11.239 0.718 3.155 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.814 1.026 4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.820 3.194 5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.846 2.882 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.333 2.696 4.458 1.00 0.00 H new ATOM 182 N VAL A 14 -9.570 -0.184 6.727 1.00 0.00 N ATOM 183 CA VAL A 14 -9.914 -0.725 8.030 1.00 0.00 C ATOM 184 C VAL A 14 -8.812 -0.377 9.031 1.00 0.00 C ATOM 185 O VAL A 14 -7.633 -0.622 8.772 1.00 0.00 O ATOM 186 CB VAL A 14 -10.170 -2.230 7.922 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.739 -2.592 6.549 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.895 -3.025 8.213 1.00 0.00 C ATOM 0 H VAL A 14 -8.659 -0.474 6.372 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.838 -0.277 8.396 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.912 -2.498 8.674 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.912 -3.667 6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.681 -2.066 6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.030 -2.302 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.104 -4.091 8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.123 -2.750 7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.549 -2.801 9.222 1.00 0.00 H new ATOM 198 N THR A 15 -9.230 0.189 10.153 1.00 0.00 N ATOM 199 CA THR A 15 -8.291 0.575 11.193 1.00 0.00 C ATOM 200 C THR A 15 -7.313 -0.567 11.478 1.00 0.00 C ATOM 201 O THR A 15 -7.691 -1.737 11.445 1.00 0.00 O ATOM 202 CB THR A 15 -9.097 1.004 12.422 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.166 1.778 11.882 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.333 1.990 13.307 1.00 0.00 C ATOM 0 H THR A 15 -10.207 0.390 10.365 1.00 0.00 H new ATOM 0 HA THR A 15 -7.676 1.418 10.878 1.00 0.00 H new ATOM 0 HB THR A 15 -9.365 0.124 13.007 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.740 2.095 12.610 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.949 2.262 14.164 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.410 1.526 13.656 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.095 2.885 12.733 1.00 0.00 H new ATOM 212 N CYS A 16 -6.074 -0.186 11.750 1.00 0.00 N ATOM 213 CA CYS A 16 -5.038 -1.163 12.039 1.00 0.00 C ATOM 214 C CYS A 16 -4.850 -1.230 13.556 1.00 0.00 C ATOM 215 O CYS A 16 -5.504 -0.499 14.299 1.00 0.00 O ATOM 216 CB CYS A 16 -3.730 -0.833 11.317 1.00 0.00 C ATOM 217 SG CYS A 16 -3.304 -2.174 10.149 1.00 0.00 S ATOM 0 H CYS A 16 -5.764 0.785 11.776 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.345 -2.141 11.668 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.830 0.110 10.780 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.927 -0.703 12.043 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.291 -1.705 8.936 1.00 0.00 H new ATOM 223 N PRO A 17 -3.929 -2.136 13.983 1.00 0.00 N ATOM 224 CA PRO A 17 -3.647 -2.307 15.399 1.00 0.00 C ATOM 225 C PRO A 17 -2.806 -1.147 15.934 1.00 0.00 C ATOM 226 O PRO A 17 -2.529 -0.191 15.212 1.00 0.00 O ATOM 227 CB PRO A 17 -2.944 -3.649 15.499 1.00 0.00 C ATOM 228 CG PRO A 17 -2.442 -3.964 14.099 1.00 0.00 C ATOM 229 CD PRO A 17 -3.136 -3.018 13.133 1.00 0.00 C ATOM 0 HA PRO A 17 -4.548 -2.298 16.013 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.118 -3.605 16.209 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.627 -4.422 15.852 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.360 -3.840 14.044 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.658 -5.001 13.840 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.413 -2.454 12.543 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.766 -3.562 12.430 1.00 0.00 H new ATOM 237 N PRO A 18 -2.411 -1.274 17.228 1.00 0.00 N ATOM 238 CA PRO A 18 -1.606 -0.248 17.870 1.00 0.00 C ATOM 239 C PRO A 18 -0.156 -0.308 17.386 1.00 0.00 C ATOM 240 O PRO A 18 0.538 -1.299 17.610 1.00 0.00 O ATOM 241 CB PRO A 18 -1.746 -0.512 19.360 1.00 0.00 C ATOM 242 CG PRO A 18 -2.240 -1.944 19.485 1.00 0.00 C ATOM 243 CD PRO A 18 -2.719 -2.393 18.115 1.00 0.00 C ATOM 0 HA PRO A 18 -1.938 0.761 17.626 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.792 -0.382 19.871 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.449 0.185 19.816 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.441 -2.594 19.842 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.050 -2.006 20.212 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.210 -3.302 17.796 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.787 -2.611 18.121 1.00 0.00 H new ATOM 251 N GLY A 19 0.260 0.766 16.730 1.00 0.00 N ATOM 252 CA GLY A 19 1.616 0.850 16.212 1.00 0.00 C ATOM 253 C GLY A 19 1.676 1.752 14.978 1.00 0.00 C ATOM 254 O GLY A 19 2.447 2.711 14.944 1.00 0.00 O ATOM 0 H GLY A 19 -0.318 1.586 16.545 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.281 1.239 16.984 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.974 -0.147 15.956 1.00 0.00 H new ATOM 258 N GLU A 20 0.855 1.413 13.995 1.00 0.00 N ATOM 259 CA GLU A 20 0.808 2.181 12.762 1.00 0.00 C ATOM 260 C GLU A 20 0.246 3.577 13.029 1.00 0.00 C ATOM 261 O GLU A 20 -0.956 3.739 13.238 1.00 0.00 O ATOM 262 CB GLU A 20 -0.015 1.454 11.696 1.00 0.00 C ATOM 263 CG GLU A 20 0.581 0.079 11.386 1.00 0.00 C ATOM 264 CD GLU A 20 -0.022 -0.997 12.291 1.00 0.00 C ATOM 265 OE1 GLU A 20 0.149 -2.196 12.028 1.00 0.00 O ATOM 266 OE2 GLU A 20 -0.688 -0.548 13.302 1.00 0.00 O ATOM 0 H GLU A 20 0.217 0.617 14.027 1.00 0.00 H new ATOM 0 HA GLU A 20 1.824 2.286 12.382 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.043 1.339 12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.049 2.053 10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.397 -0.174 10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.662 0.109 11.521 1.00 0.00 H new ATOM 274 N ASN A 21 1.141 4.554 13.014 1.00 0.00 N ATOM 275 CA ASN A 21 0.751 5.933 13.252 1.00 0.00 C ATOM 276 C ASN A 21 0.296 6.565 11.934 1.00 0.00 C ATOM 277 O ASN A 21 0.030 7.764 11.877 1.00 0.00 O ATOM 278 CB ASN A 21 1.924 6.754 13.789 1.00 0.00 C ATOM 279 CG ASN A 21 2.666 5.994 14.891 1.00 0.00 C ATOM 280 OD1 ASN A 21 1.950 5.026 15.456 1.00 0.00 O flip ATOM 281 ND2 ASN A 21 3.811 6.269 15.207 1.00 0.00 N flip ATOM 0 H ASN A 21 2.137 4.417 12.840 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.054 5.932 13.987 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.612 6.987 12.976 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.559 7.704 14.180 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.304 7.025 14.732 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.276 5.743 15.947 1.00 0.00 H new ATOM 288 N LEU A 22 0.220 5.728 10.910 1.00 0.00 N ATOM 289 CA LEU A 22 -0.197 6.190 9.597 1.00 0.00 C ATOM 290 C LEU A 22 -0.336 4.989 8.659 1.00 0.00 C ATOM 291 O LEU A 22 -0.259 3.843 9.097 1.00 0.00 O ATOM 292 CB LEU A 22 0.758 7.269 9.079 1.00 0.00 C ATOM 293 CG LEU A 22 2.167 6.797 8.714 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.444 7.003 7.224 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.217 7.478 9.592 1.00 0.00 C ATOM 0 H LEU A 22 0.440 4.733 10.963 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.176 6.666 9.654 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.311 7.730 8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.842 8.047 9.838 1.00 0.00 H new ATOM 0 HG LEU A 22 2.231 5.726 8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.452 6.660 6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.722 6.435 6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.356 8.062 6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.210 7.125 9.312 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.163 8.558 9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.028 7.237 10.638 1.00 0.00 H new ATOM 307 N CYS A 23 -0.536 5.293 7.385 1.00 0.00 N ATOM 308 CA CYS A 23 -0.686 4.254 6.382 1.00 0.00 C ATOM 309 C CYS A 23 0.621 4.153 5.594 1.00 0.00 C ATOM 310 O CYS A 23 1.621 4.767 5.963 1.00 0.00 O ATOM 311 CB CYS A 23 -1.885 4.518 5.468 1.00 0.00 C ATOM 312 SG CYS A 23 -3.206 5.376 6.398 1.00 0.00 S ATOM 0 H CYS A 23 -0.598 6.245 7.025 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.888 3.301 6.871 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.577 5.124 4.616 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.263 3.576 5.069 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.973 4.498 6.972 1.00 0.00 H new ATOM 318 N TYR A 24 0.573 3.374 4.523 1.00 0.00 N ATOM 319 CA TYR A 24 1.741 3.187 3.681 1.00 0.00 C ATOM 320 C TYR A 24 1.362 2.513 2.361 1.00 0.00 C ATOM 321 O TYR A 24 0.254 2.000 2.217 1.00 0.00 O ATOM 322 CB TYR A 24 2.678 2.261 4.461 1.00 0.00 C ATOM 323 CG TYR A 24 2.278 0.786 4.414 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.756 -0.027 3.406 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.437 0.268 5.378 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.379 -1.415 3.362 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.060 -1.120 5.334 1.00 0.00 C ATOM 328 CZ TYR A 24 1.549 -1.895 4.328 1.00 0.00 C ATOM 329 OH TYR A 24 1.193 -3.206 4.285 1.00 0.00 O ATOM 0 H TYR A 24 -0.257 2.865 4.220 1.00 0.00 H new ATOM 0 HA TYR A 24 2.202 4.146 3.444 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.688 2.365 4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.709 2.585 5.501 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.413 0.379 2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.062 0.905 6.166 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.747 -2.062 2.579 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.403 -1.538 6.083 1.00 0.00 H new ATOM 0 HH TYR A 24 0.598 -3.408 5.037 1.00 0.00 H new ATOM 339 N ARG A 25 2.304 2.537 1.429 1.00 0.00 N ATOM 340 CA ARG A 25 2.083 1.934 0.125 1.00 0.00 C ATOM 341 C ARG A 25 3.313 1.134 -0.306 1.00 0.00 C ATOM 342 O ARG A 25 4.286 1.703 -0.800 1.00 0.00 O ATOM 343 CB ARG A 25 1.781 3.001 -0.930 1.00 0.00 C ATOM 344 CG ARG A 25 0.979 4.156 -0.327 1.00 0.00 C ATOM 345 CD ARG A 25 1.122 5.423 -1.174 1.00 0.00 C ATOM 346 NE ARG A 25 -0.212 5.899 -1.602 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.435 6.618 -2.722 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.588 6.953 -3.537 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.670 6.991 -3.008 1.00 0.00 N ATOM 0 H ARG A 25 3.222 2.965 1.551 1.00 0.00 H new ATOM 0 HA ARG A 25 1.224 1.268 0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.714 3.380 -1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.222 2.556 -1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.072 3.877 -0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.324 4.352 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.627 6.199 -0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.742 5.219 -2.047 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.013 5.669 -1.014 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.539 6.662 -3.308 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.410 7.497 -4.382 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.437 6.735 -2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.856 7.535 -3.851 1.00 0.00 H new ATOM 363 N LYS A 26 3.232 -0.172 -0.103 1.00 0.00 N ATOM 364 CA LYS A 26 4.326 -1.055 -0.464 1.00 0.00 C ATOM 365 C LYS A 26 4.243 -1.381 -1.956 1.00 0.00 C ATOM 366 O LYS A 26 3.170 -1.307 -2.552 1.00 0.00 O ATOM 367 CB LYS A 26 4.335 -2.293 0.435 1.00 0.00 C ATOM 368 CG LYS A 26 5.614 -2.354 1.273 1.00 0.00 C ATOM 369 CD LYS A 26 5.541 -3.481 2.306 1.00 0.00 C ATOM 370 CE LYS A 26 5.267 -2.925 3.704 1.00 0.00 C ATOM 371 NZ LYS A 26 6.178 -3.540 4.695 1.00 0.00 N ATOM 0 H LYS A 26 2.424 -0.640 0.308 1.00 0.00 H new ATOM 0 HA LYS A 26 5.283 -0.561 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.466 -2.275 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.254 -3.191 -0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.473 -2.509 0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.767 -1.401 1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.754 -4.183 2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.478 -4.038 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.398 -1.843 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.232 -3.120 3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.978 -3.151 5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.033 -4.570 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.164 -3.332 4.437 1.00 0.00 H new ATOM 385 N MET A 27 5.390 -1.733 -2.517 1.00 0.00 N ATOM 386 CA MET A 27 5.460 -2.069 -3.929 1.00 0.00 C ATOM 387 C MET A 27 6.562 -3.097 -4.196 1.00 0.00 C ATOM 388 O MET A 27 7.572 -3.126 -3.493 1.00 0.00 O ATOM 389 CB MET A 27 5.736 -0.802 -4.743 1.00 0.00 C ATOM 390 CG MET A 27 4.497 -0.377 -5.532 1.00 0.00 C ATOM 391 SD MET A 27 4.546 1.379 -5.843 1.00 0.00 S ATOM 392 CE MET A 27 2.853 1.653 -6.342 1.00 0.00 C ATOM 0 H MET A 27 6.278 -1.793 -2.020 1.00 0.00 H new ATOM 0 HA MET A 27 4.505 -2.503 -4.227 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.041 0.004 -4.076 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.565 -0.979 -5.428 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.452 -0.921 -6.476 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.596 -0.631 -4.974 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.495 2.590 -5.916 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.798 1.705 -7.429 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.231 0.832 -5.986 1.00 0.00 H new ATOM 402 N TRP A 28 6.332 -3.915 -5.211 1.00 0.00 N ATOM 403 CA TRP A 28 7.293 -4.942 -5.577 1.00 0.00 C ATOM 404 C TRP A 28 6.912 -5.475 -6.959 1.00 0.00 C ATOM 405 O TRP A 28 7.197 -4.840 -7.974 1.00 0.00 O ATOM 406 CB TRP A 28 7.357 -6.038 -4.511 1.00 0.00 C ATOM 407 CG TRP A 28 6.034 -6.272 -3.779 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.877 -6.716 -4.287 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.780 -6.056 -2.374 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.899 -6.801 -3.318 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.465 -6.386 -2.118 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.633 -5.596 -1.355 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.884 -6.293 -0.848 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.037 -5.506 -0.091 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.715 -5.836 0.184 1.00 0.00 C ATOM 0 H TRP A 28 5.494 -3.888 -5.792 1.00 0.00 H new ATOM 0 HA TRP A 28 8.300 -4.527 -5.629 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.670 -6.970 -4.981 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.123 -5.776 -3.781 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.728 -6.975 -5.325 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.937 -7.111 -3.456 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.665 -5.333 -1.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.852 -6.559 -0.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.648 -5.155 0.728 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.330 -5.741 1.188 1.00 0.00 H new ATOM 426 N CYS A 29 6.274 -6.636 -6.957 1.00 0.00 N ATOM 427 CA CYS A 29 5.850 -7.261 -8.198 1.00 0.00 C ATOM 428 C CYS A 29 5.065 -8.528 -7.854 1.00 0.00 C ATOM 429 O CYS A 29 5.599 -9.445 -7.232 1.00 0.00 O ATOM 430 CB CYS A 29 7.038 -7.558 -9.115 1.00 0.00 C ATOM 431 SG CYS A 29 6.932 -6.531 -10.627 1.00 0.00 S ATOM 0 H CYS A 29 6.040 -7.161 -6.114 1.00 0.00 H new ATOM 0 HA CYS A 29 5.208 -6.576 -8.753 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.972 -7.354 -8.592 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.046 -8.615 -9.383 1.00 0.00 H new ATOM 0 HG CYS A 29 7.380 -7.207 -11.643 1.00 0.00 H new ATOM 437 N ASP A 30 3.808 -8.540 -8.274 1.00 0.00 N ATOM 438 CA ASP A 30 2.943 -9.680 -8.019 1.00 0.00 C ATOM 439 C ASP A 30 3.682 -10.967 -8.389 1.00 0.00 C ATOM 440 O ASP A 30 4.815 -10.923 -8.867 1.00 0.00 O ATOM 441 CB ASP A 30 1.670 -9.605 -8.862 1.00 0.00 C ATOM 442 CG ASP A 30 0.576 -10.601 -8.472 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.505 -11.051 -7.319 1.00 0.00 O ATOM 444 OD2 ASP A 30 -0.236 -10.919 -9.422 1.00 0.00 O ATOM 0 H ASP A 30 3.368 -7.778 -8.789 1.00 0.00 H new ATOM 0 HA ASP A 30 2.675 -9.671 -6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.264 -8.596 -8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.934 -9.769 -9.907 1.00 0.00 H new ATOM 450 N ALA A 31 3.011 -12.085 -8.155 1.00 0.00 N ATOM 451 CA ALA A 31 3.589 -13.383 -8.458 1.00 0.00 C ATOM 452 C ALA A 31 3.607 -13.588 -9.973 1.00 0.00 C ATOM 453 O ALA A 31 4.062 -14.622 -10.459 1.00 0.00 O ATOM 454 CB ALA A 31 2.801 -14.475 -7.731 1.00 0.00 C ATOM 0 H ALA A 31 2.072 -12.119 -7.759 1.00 0.00 H new ATOM 0 HA ALA A 31 4.619 -13.435 -8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.234 -15.449 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.844 -14.300 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.762 -14.455 -8.060 1.00 0.00 H new ATOM 460 N PHE A 32 3.105 -12.586 -10.680 1.00 0.00 N ATOM 461 CA PHE A 32 3.057 -12.643 -12.131 1.00 0.00 C ATOM 462 C PHE A 32 3.841 -11.485 -12.751 1.00 0.00 C ATOM 463 O PHE A 32 4.077 -11.467 -13.959 1.00 0.00 O ATOM 464 CB PHE A 32 1.586 -12.520 -12.535 1.00 0.00 C ATOM 465 CG PHE A 32 0.725 -13.717 -12.122 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.589 -14.036 -10.807 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.098 -14.463 -13.071 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.209 -15.146 -10.424 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.700 -15.573 -12.688 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.837 -15.891 -11.373 1.00 0.00 C ATOM 0 H PHE A 32 2.728 -11.730 -10.274 1.00 0.00 H new ATOM 0 HA PHE A 32 3.499 -13.576 -12.481 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.172 -11.616 -12.089 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.526 -12.398 -13.616 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.088 -13.445 -10.054 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.207 -14.211 -14.115 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.317 -15.399 -9.380 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.198 -16.165 -13.441 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.445 -16.735 -11.082 1.00 0.00 H new ATOM 480 N CYS A 33 4.223 -10.547 -11.899 1.00 0.00 N ATOM 481 CA CYS A 33 4.977 -9.389 -12.348 1.00 0.00 C ATOM 482 C CYS A 33 4.442 -8.971 -13.718 1.00 0.00 C ATOM 483 O CYS A 33 5.177 -8.979 -14.704 1.00 0.00 O ATOM 484 CB CYS A 33 6.481 -9.669 -12.383 1.00 0.00 C ATOM 485 SG CYS A 33 7.333 -8.391 -13.376 1.00 0.00 S ATOM 0 H CYS A 33 4.025 -10.565 -10.899 1.00 0.00 H new ATOM 0 HA CYS A 33 4.845 -8.570 -11.641 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.881 -9.680 -11.369 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.666 -10.655 -12.809 1.00 0.00 H new ATOM 0 HG CYS A 33 6.786 -8.320 -14.553 1.00 0.00 H new ATOM 491 N SER A 34 3.166 -8.613 -13.738 1.00 0.00 N ATOM 492 CA SER A 34 2.524 -8.194 -14.972 1.00 0.00 C ATOM 493 C SER A 34 3.240 -6.968 -15.542 1.00 0.00 C ATOM 494 O SER A 34 4.151 -6.429 -14.916 1.00 0.00 O ATOM 495 CB SER A 34 1.043 -7.886 -14.745 1.00 0.00 C ATOM 496 OG SER A 34 0.319 -9.034 -14.314 1.00 0.00 O ATOM 0 H SER A 34 2.559 -8.605 -12.918 1.00 0.00 H new ATOM 0 HA SER A 34 2.591 -9.013 -15.689 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.947 -7.096 -14.000 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.606 -7.507 -15.669 1.00 0.00 H new ATOM 0 HG SER A 34 -0.622 -8.796 -14.178 1.00 0.00 H new ATOM 502 N SER A 35 2.801 -6.563 -16.725 1.00 0.00 N ATOM 503 CA SER A 35 3.388 -5.411 -17.387 1.00 0.00 C ATOM 504 C SER A 35 2.959 -4.124 -16.679 1.00 0.00 C ATOM 505 O SER A 35 3.396 -3.035 -17.045 1.00 0.00 O ATOM 506 CB SER A 35 2.989 -5.362 -18.864 1.00 0.00 C ATOM 507 OG SER A 35 3.330 -6.565 -19.549 1.00 0.00 O ATOM 0 H SER A 35 2.045 -7.013 -17.242 1.00 0.00 H new ATOM 0 HA SER A 35 4.473 -5.503 -17.334 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.916 -5.191 -18.944 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.483 -4.518 -19.345 1.00 0.00 H new ATOM 0 HG SER A 35 3.058 -6.495 -20.488 1.00 0.00 H new ATOM 513 N ARG A 36 2.109 -4.294 -15.677 1.00 0.00 N ATOM 514 CA ARG A 36 1.616 -3.161 -14.915 1.00 0.00 C ATOM 515 C ARG A 36 2.682 -2.680 -13.927 1.00 0.00 C ATOM 516 O ARG A 36 2.430 -1.783 -13.125 1.00 0.00 O ATOM 517 CB ARG A 36 0.345 -3.526 -14.143 1.00 0.00 C ATOM 518 CG ARG A 36 -0.599 -4.365 -15.008 1.00 0.00 C ATOM 519 CD ARG A 36 -1.141 -3.546 -16.181 1.00 0.00 C ATOM 520 NE ARG A 36 -0.060 -3.281 -17.157 1.00 0.00 N ATOM 521 CZ ARG A 36 -0.060 -2.246 -18.024 1.00 0.00 C ATOM 522 NH1 ARG A 36 -1.084 -1.369 -18.046 1.00 0.00 N ATOM 523 NH2 ARG A 36 0.959 -2.106 -18.852 1.00 0.00 N ATOM 0 H ARG A 36 1.750 -5.200 -15.376 1.00 0.00 H new ATOM 0 HA ARG A 36 1.383 -2.364 -15.621 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.609 -4.081 -13.242 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.163 -2.617 -13.820 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.071 -5.241 -15.385 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.427 -4.729 -14.400 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.955 -4.085 -16.666 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.553 -2.604 -15.818 1.00 0.00 H new ATOM 0 HE ARG A 36 0.735 -3.920 -17.176 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.868 -1.484 -17.404 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.075 -0.590 -18.705 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.730 -2.774 -18.830 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.976 -1.330 -19.514 1.00 0.00 H new ATOM 537 N GLY A 37 3.849 -3.300 -14.020 1.00 0.00 N ATOM 538 CA GLY A 37 4.955 -2.947 -13.145 1.00 0.00 C ATOM 539 C GLY A 37 4.900 -3.749 -11.842 1.00 0.00 C ATOM 540 O GLY A 37 4.876 -4.978 -11.866 1.00 0.00 O ATOM 0 H GLY A 37 4.053 -4.044 -14.687 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.900 -3.136 -13.653 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.921 -1.881 -12.922 1.00 0.00 H new ATOM 544 N LYS A 38 4.883 -3.019 -10.737 1.00 0.00 N ATOM 545 CA LYS A 38 4.832 -3.647 -9.427 1.00 0.00 C ATOM 546 C LYS A 38 3.384 -3.672 -8.933 1.00 0.00 C ATOM 547 O LYS A 38 2.461 -3.392 -9.697 1.00 0.00 O ATOM 548 CB LYS A 38 5.799 -2.955 -8.464 1.00 0.00 C ATOM 549 CG LYS A 38 6.985 -2.348 -9.217 1.00 0.00 C ATOM 550 CD LYS A 38 7.514 -3.317 -10.277 1.00 0.00 C ATOM 551 CE LYS A 38 9.042 -3.279 -10.340 1.00 0.00 C ATOM 552 NZ LYS A 38 9.493 -2.578 -11.564 1.00 0.00 N ATOM 0 H LYS A 38 4.904 -1.999 -10.721 1.00 0.00 H new ATOM 0 HA LYS A 38 5.165 -4.683 -9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.274 -2.173 -7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.160 -3.673 -7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.681 -1.415 -9.691 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.781 -2.103 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.181 -4.329 -10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.100 -3.058 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.436 -2.774 -9.458 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.438 -4.295 -10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.533 -2.561 -11.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.133 -3.077 -12.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.131 -1.603 -11.559 1.00 0.00 H new ATOM 566 N VAL A 39 3.232 -4.008 -7.661 1.00 0.00 N ATOM 567 CA VAL A 39 1.912 -4.073 -7.058 1.00 0.00 C ATOM 568 C VAL A 39 1.703 -2.847 -6.166 1.00 0.00 C ATOM 569 O VAL A 39 2.410 -1.849 -6.301 1.00 0.00 O ATOM 570 CB VAL A 39 1.745 -5.394 -6.305 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.268 -5.775 -6.184 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.547 -6.513 -6.976 1.00 0.00 C ATOM 0 H VAL A 39 4.001 -4.238 -7.031 1.00 0.00 H new ATOM 0 HA VAL A 39 1.140 -4.052 -7.827 1.00 0.00 H new ATOM 0 HB VAL A 39 2.138 -5.257 -5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.178 -6.718 -5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.266 -4.995 -5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.162 -5.884 -7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.411 -7.441 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.197 -6.648 -8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.604 -6.248 -6.986 1.00 0.00 H new ATOM 582 N VAL A 40 0.728 -2.963 -5.276 1.00 0.00 N ATOM 583 CA VAL A 40 0.417 -1.876 -4.363 1.00 0.00 C ATOM 584 C VAL A 40 -0.226 -2.446 -3.098 1.00 0.00 C ATOM 585 O VAL A 40 -1.440 -2.358 -2.921 1.00 0.00 O ATOM 586 CB VAL A 40 -0.463 -0.838 -5.066 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.316 0.538 -4.412 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.146 -0.773 -6.560 1.00 0.00 C ATOM 0 H VAL A 40 0.144 -3.792 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 40 1.328 -1.359 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.502 -1.150 -4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.951 1.257 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.615 0.477 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.723 0.861 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.785 -0.029 -7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.899 -0.496 -6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.326 -1.748 -7.013 1.00 0.00 H new ATOM 598 N GLU A 41 0.617 -3.017 -2.251 1.00 0.00 N ATOM 599 CA GLU A 41 0.146 -3.603 -1.006 1.00 0.00 C ATOM 600 C GLU A 41 0.187 -2.565 0.117 1.00 0.00 C ATOM 601 O GLU A 41 0.988 -2.680 1.043 1.00 0.00 O ATOM 602 CB GLU A 41 0.966 -4.841 -0.640 1.00 0.00 C ATOM 603 CG GLU A 41 1.254 -5.694 -1.876 1.00 0.00 C ATOM 604 CD GLU A 41 1.037 -7.180 -1.582 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.845 -7.560 -0.416 1.00 0.00 O ATOM 606 OE2 GLU A 41 1.068 -7.952 -2.615 1.00 0.00 O ATOM 0 H GLU A 41 1.623 -3.087 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.888 -3.920 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.905 -4.536 -0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.426 -5.434 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.605 -5.384 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.281 -5.531 -2.203 1.00 0.00 H new ATOM 614 N LEU A 42 -0.687 -1.578 -0.001 1.00 0.00 N ATOM 615 CA LEU A 42 -0.762 -0.520 0.993 1.00 0.00 C ATOM 616 C LEU A 42 -1.252 -1.107 2.319 1.00 0.00 C ATOM 617 O LEU A 42 -1.462 -2.313 2.429 1.00 0.00 O ATOM 618 CB LEU A 42 -1.616 0.640 0.480 1.00 0.00 C ATOM 619 CG LEU A 42 -1.599 0.866 -1.034 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.861 0.300 -1.686 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.399 2.347 -1.364 1.00 0.00 C ATOM 0 H LEU A 42 -1.351 -1.488 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 42 0.226 -0.098 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.647 0.472 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.281 1.555 0.968 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.750 0.325 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.824 0.474 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.921 -0.771 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.739 0.794 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.391 2.481 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.213 2.929 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.450 2.687 -0.949 1.00 0.00 H new ATOM 633 N GLY A 43 -1.423 -0.223 3.292 1.00 0.00 N ATOM 634 CA GLY A 43 -1.885 -0.639 4.606 1.00 0.00 C ATOM 635 C GLY A 43 -1.485 0.381 5.675 1.00 0.00 C ATOM 636 O GLY A 43 -1.428 1.579 5.403 1.00 0.00 O ATOM 0 H GLY A 43 -1.250 0.778 3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.969 -0.754 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.464 -1.614 4.852 1.00 0.00 H new ATOM 640 N CYS A 44 -1.219 -0.134 6.867 1.00 0.00 N ATOM 641 CA CYS A 44 -0.827 0.717 7.978 1.00 0.00 C ATOM 642 C CYS A 44 0.633 0.413 8.324 1.00 0.00 C ATOM 643 O CYS A 44 1.129 -0.675 8.034 1.00 0.00 O ATOM 644 CB CYS A 44 -1.749 0.534 9.184 1.00 0.00 C ATOM 645 SG CYS A 44 -3.492 0.443 8.631 1.00 0.00 S ATOM 0 H CYS A 44 -1.267 -1.129 7.087 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.921 1.764 7.688 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.482 -0.375 9.722 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.622 1.364 9.879 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.902 1.629 8.292 1.00 0.00 H new ATOM 651 N ALA A 45 1.278 1.392 8.939 1.00 0.00 N ATOM 652 CA ALA A 45 2.671 1.243 9.327 1.00 0.00 C ATOM 653 C ALA A 45 3.063 2.396 10.254 1.00 0.00 C ATOM 654 O ALA A 45 2.595 3.520 10.085 1.00 0.00 O ATOM 655 CB ALA A 45 3.547 1.178 8.075 1.00 0.00 C ATOM 0 H ALA A 45 0.862 2.292 9.179 1.00 0.00 H new ATOM 0 HA ALA A 45 2.819 0.313 9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.591 1.066 8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.248 0.326 7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.427 2.096 7.499 1.00 0.00 H new ATOM 661 N ALA A 46 3.919 2.075 11.214 1.00 0.00 N ATOM 662 CA ALA A 46 4.380 3.069 12.169 1.00 0.00 C ATOM 663 C ALA A 46 4.914 4.285 11.412 1.00 0.00 C ATOM 664 O ALA A 46 4.575 5.423 11.739 1.00 0.00 O ATOM 665 CB ALA A 46 5.432 2.445 13.087 1.00 0.00 C ATOM 0 H ALA A 46 4.305 1.141 11.351 1.00 0.00 H new ATOM 0 HA ALA A 46 3.558 3.408 12.799 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.778 3.190 13.803 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.994 1.603 13.623 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.275 2.097 12.490 1.00 0.00 H new ATOM 671 N THR A 47 5.741 4.008 10.417 1.00 0.00 N ATOM 672 CA THR A 47 6.327 5.067 9.611 1.00 0.00 C ATOM 673 C THR A 47 6.825 4.509 8.276 1.00 0.00 C ATOM 674 O THR A 47 7.008 3.300 8.134 1.00 0.00 O ATOM 675 CB THR A 47 7.428 5.736 10.437 1.00 0.00 C ATOM 676 OG1 THR A 47 8.230 4.649 10.893 1.00 0.00 O ATOM 677 CG2 THR A 47 6.892 6.368 11.724 1.00 0.00 C ATOM 0 H THR A 47 6.021 3.064 10.149 1.00 0.00 H new ATOM 0 HA THR A 47 5.586 5.824 9.355 1.00 0.00 H new ATOM 0 HB THR A 47 7.920 6.499 9.834 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.970 4.993 11.436 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.713 6.829 12.273 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.151 7.127 11.475 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.430 5.598 12.342 1.00 0.00 H new ATOM 685 N CYS A 48 7.029 5.415 7.332 1.00 0.00 N ATOM 686 CA CYS A 48 7.501 5.028 6.013 1.00 0.00 C ATOM 687 C CYS A 48 8.446 3.836 6.171 1.00 0.00 C ATOM 688 O CYS A 48 9.625 4.009 6.473 1.00 0.00 O ATOM 689 CB CYS A 48 8.172 6.196 5.288 1.00 0.00 C ATOM 690 SG CYS A 48 7.752 7.773 6.116 1.00 0.00 S ATOM 0 H CYS A 48 6.876 6.416 7.454 1.00 0.00 H new ATOM 0 HA CYS A 48 6.654 4.738 5.391 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.253 6.057 5.280 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.847 6.224 4.248 1.00 0.00 H new ATOM 0 HG CYS A 48 6.487 7.783 6.414 1.00 0.00 H new ATOM 696 N PRO A 49 7.877 2.619 5.954 1.00 0.00 N ATOM 697 CA PRO A 49 8.656 1.398 6.071 1.00 0.00 C ATOM 698 C PRO A 49 9.579 1.221 4.863 1.00 0.00 C ATOM 699 O PRO A 49 10.381 0.288 4.821 1.00 0.00 O ATOM 700 CB PRO A 49 7.627 0.286 6.200 1.00 0.00 C ATOM 701 CG PRO A 49 6.320 0.866 5.688 1.00 0.00 C ATOM 702 CD PRO A 49 6.484 2.375 5.595 1.00 0.00 C ATOM 0 HA PRO A 49 9.325 1.405 6.932 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.921 -0.588 5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.531 -0.039 7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.073 0.448 4.712 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.500 0.612 6.360 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.265 2.736 4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.804 2.890 6.274 1.00 0.00 H new ATOM 710 N SER A 50 9.437 2.129 3.910 1.00 0.00 N ATOM 711 CA SER A 50 10.248 2.084 2.705 1.00 0.00 C ATOM 712 C SER A 50 11.562 1.353 2.986 1.00 0.00 C ATOM 713 O SER A 50 12.166 1.535 4.041 1.00 0.00 O ATOM 714 CB SER A 50 10.528 3.493 2.177 1.00 0.00 C ATOM 715 OG SER A 50 10.090 3.655 0.832 1.00 0.00 O ATOM 0 H SER A 50 8.772 2.901 3.947 1.00 0.00 H new ATOM 0 HA SER A 50 9.693 1.541 1.940 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.028 4.224 2.812 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.597 3.697 2.237 1.00 0.00 H new ATOM 0 HG SER A 50 9.174 4.003 0.826 1.00 0.00 H new ATOM 721 N LYS A 51 11.964 0.537 2.023 1.00 0.00 N ATOM 722 CA LYS A 51 13.196 -0.224 2.153 1.00 0.00 C ATOM 723 C LYS A 51 14.342 0.553 1.503 1.00 0.00 C ATOM 724 O LYS A 51 14.709 1.630 1.968 1.00 0.00 O ATOM 725 CB LYS A 51 13.015 -1.637 1.592 1.00 0.00 C ATOM 726 CG LYS A 51 12.463 -2.583 2.660 1.00 0.00 C ATOM 727 CD LYS A 51 13.596 -3.201 3.482 1.00 0.00 C ATOM 728 CE LYS A 51 14.231 -2.161 4.408 1.00 0.00 C ATOM 729 NZ LYS A 51 13.209 -1.569 5.301 1.00 0.00 N ATOM 0 H LYS A 51 11.459 0.386 1.150 1.00 0.00 H new ATOM 0 HA LYS A 51 13.454 -0.353 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.337 -1.610 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.971 -2.013 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.786 -2.039 3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.880 -3.373 2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.210 -4.032 4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.354 -3.610 2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.017 -2.627 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.702 -1.377 3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.676 -0.982 6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.559 -0.980 4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.673 -2.329 5.767 1.00 0.00 H new ATOM 743 N LYS A 52 14.877 -0.025 0.437 1.00 0.00 N ATOM 744 CA LYS A 52 15.974 0.599 -0.281 1.00 0.00 C ATOM 745 C LYS A 52 15.996 0.081 -1.721 1.00 0.00 C ATOM 746 O LYS A 52 16.012 0.865 -2.668 1.00 0.00 O ATOM 747 CB LYS A 52 17.292 0.392 0.467 1.00 0.00 C ATOM 748 CG LYS A 52 17.189 0.900 1.907 1.00 0.00 C ATOM 749 CD LYS A 52 16.880 -0.246 2.872 1.00 0.00 C ATOM 750 CE LYS A 52 16.733 0.268 4.305 1.00 0.00 C ATOM 751 NZ LYS A 52 18.056 0.359 4.962 1.00 0.00 N ATOM 0 H LYS A 52 14.570 -0.919 0.054 1.00 0.00 H new ATOM 0 HA LYS A 52 15.830 1.678 -0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.551 -0.667 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.095 0.916 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.124 1.380 2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.408 1.657 1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.961 -0.746 2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.677 -0.988 2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.255 1.248 4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.084 -0.399 4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.938 0.710 5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.498 -0.582 4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.664 1.014 4.430 1.00 0.00 H new ATOM 765 N PRO A 53 15.998 -1.274 -1.843 1.00 0.00 N ATOM 766 CA PRO A 53 16.018 -1.907 -3.151 1.00 0.00 C ATOM 767 C PRO A 53 14.649 -1.813 -3.828 1.00 0.00 C ATOM 768 O PRO A 53 14.247 -0.741 -4.275 1.00 0.00 O ATOM 769 CB PRO A 53 16.455 -3.340 -2.889 1.00 0.00 C ATOM 770 CG PRO A 53 16.212 -3.583 -1.408 1.00 0.00 C ATOM 771 CD PRO A 53 15.981 -2.235 -0.745 1.00 0.00 C ATOM 0 HA PRO A 53 16.702 -1.417 -3.844 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.885 -4.040 -3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.506 -3.481 -3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.348 -4.232 -1.265 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.067 -4.088 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.029 -2.213 -0.214 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.759 -2.015 -0.014 1.00 0.00 H new ATOM 779 N TYR A 54 13.972 -2.950 -3.881 1.00 0.00 N ATOM 780 CA TYR A 54 12.657 -3.010 -4.496 1.00 0.00 C ATOM 781 C TYR A 54 11.574 -2.550 -3.518 1.00 0.00 C ATOM 782 O TYR A 54 10.774 -1.674 -3.841 1.00 0.00 O ATOM 783 CB TYR A 54 12.421 -4.481 -4.843 1.00 0.00 C ATOM 784 CG TYR A 54 12.971 -5.462 -3.808 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.325 -5.732 -3.763 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.116 -6.078 -2.917 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.843 -6.656 -2.787 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.634 -7.002 -1.941 1.00 0.00 C ATOM 789 CZ TYR A 54 13.972 -7.245 -1.925 1.00 0.00 C ATOM 790 OH TYR A 54 14.462 -8.117 -1.003 1.00 0.00 O ATOM 0 H TYR A 54 14.309 -3.837 -3.508 1.00 0.00 H new ATOM 0 HA TYR A 54 12.612 -2.361 -5.371 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.350 -4.650 -4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.879 -4.693 -5.809 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.995 -5.250 -4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.057 -5.867 -2.952 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.899 -6.876 -2.741 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.975 -7.490 -1.238 1.00 0.00 H new ATOM 0 HH TYR A 54 13.726 -8.460 -0.454 1.00 0.00 H new ATOM 800 N GLU A 55 11.584 -3.161 -2.343 1.00 0.00 N ATOM 801 CA GLU A 55 10.611 -2.825 -1.317 1.00 0.00 C ATOM 802 C GLU A 55 10.332 -1.321 -1.324 1.00 0.00 C ATOM 803 O GLU A 55 10.774 -0.600 -0.431 1.00 0.00 O ATOM 804 CB GLU A 55 11.087 -3.288 0.062 1.00 0.00 C ATOM 805 CG GLU A 55 10.658 -4.731 0.333 1.00 0.00 C ATOM 806 CD GLU A 55 10.908 -5.112 1.795 1.00 0.00 C ATOM 807 OE1 GLU A 55 10.115 -4.747 2.675 1.00 0.00 O ATOM 808 OE2 GLU A 55 11.972 -5.813 2.001 1.00 0.00 O ATOM 0 H GLU A 55 12.250 -3.887 -2.078 1.00 0.00 H new ATOM 0 HA GLU A 55 9.681 -3.349 -1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.173 -3.210 0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.678 -2.633 0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.600 -4.850 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.208 -5.407 -0.322 1.00 0.00 H new ATOM 816 N GLU A 56 9.597 -0.892 -2.340 1.00 0.00 N ATOM 817 CA GLU A 56 9.254 0.513 -2.475 1.00 0.00 C ATOM 818 C GLU A 56 7.969 0.821 -1.703 1.00 0.00 C ATOM 819 O GLU A 56 6.872 0.730 -2.255 1.00 0.00 O ATOM 820 CB GLU A 56 9.118 0.905 -3.946 1.00 0.00 C ATOM 821 CG GLU A 56 10.034 2.082 -4.289 1.00 0.00 C ATOM 822 CD GLU A 56 9.448 2.923 -5.423 1.00 0.00 C ATOM 823 OE1 GLU A 56 9.088 4.090 -5.208 1.00 0.00 O ATOM 824 OE2 GLU A 56 9.373 2.324 -6.563 1.00 0.00 O ATOM 0 H GLU A 56 9.230 -1.493 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 56 10.062 1.108 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.365 0.052 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.083 1.171 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.177 2.705 -3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.017 1.710 -4.578 1.00 0.00 H new ATOM 832 N VAL A 57 8.144 1.177 -0.440 1.00 0.00 N ATOM 833 CA VAL A 57 7.013 1.500 0.412 1.00 0.00 C ATOM 834 C VAL A 57 6.819 3.016 0.445 1.00 0.00 C ATOM 835 O VAL A 57 7.752 3.771 0.173 1.00 0.00 O ATOM 836 CB VAL A 57 7.216 0.892 1.802 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.883 0.769 2.546 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.919 -0.464 1.711 1.00 0.00 C ATOM 0 H VAL A 57 9.054 1.249 0.015 1.00 0.00 H new ATOM 0 HA VAL A 57 6.097 1.066 0.011 1.00 0.00 H new ATOM 0 HB VAL A 57 7.858 1.564 2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.055 0.334 3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.436 1.757 2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.208 0.128 1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.051 -0.874 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.314 -1.148 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.894 -0.338 1.240 1.00 0.00 H new ATOM 848 N THR A 58 5.602 3.418 0.781 1.00 0.00 N ATOM 849 CA THR A 58 5.274 4.832 0.853 1.00 0.00 C ATOM 850 C THR A 58 4.648 5.166 2.208 1.00 0.00 C ATOM 851 O THR A 58 5.004 4.572 3.223 1.00 0.00 O ATOM 852 CB THR A 58 4.369 5.168 -0.335 1.00 0.00 C ATOM 853 OG1 THR A 58 4.847 4.331 -1.384 1.00 0.00 O ATOM 854 CG2 THR A 58 4.594 6.588 -0.859 1.00 0.00 C ATOM 0 H THR A 58 4.831 2.789 1.006 1.00 0.00 H new ATOM 0 HA THR A 58 6.169 5.450 0.783 1.00 0.00 H new ATOM 0 HB THR A 58 3.326 5.051 -0.041 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.578 3.405 -1.212 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.928 6.775 -1.701 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.386 7.306 -0.065 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.629 6.696 -1.184 1.00 0.00 H new ATOM 862 N CYS A 59 3.725 6.117 2.179 1.00 0.00 N ATOM 863 CA CYS A 59 3.046 6.538 3.393 1.00 0.00 C ATOM 864 C CYS A 59 1.663 7.068 3.010 1.00 0.00 C ATOM 865 O CYS A 59 1.359 7.223 1.828 1.00 0.00 O ATOM 866 CB CYS A 59 3.862 7.574 4.166 1.00 0.00 C ATOM 867 SG CYS A 59 5.127 6.738 5.191 1.00 0.00 S ATOM 0 H CYS A 59 3.432 6.608 1.334 1.00 0.00 H new ATOM 0 HA CYS A 59 2.934 5.687 4.065 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.342 8.263 3.471 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.204 8.168 4.800 1.00 0.00 H new ATOM 0 HG CYS A 59 6.284 7.298 4.996 1.00 0.00 H new ATOM 873 N CYS A 60 0.864 7.335 4.032 1.00 0.00 N ATOM 874 CA CYS A 60 -0.481 7.845 3.817 1.00 0.00 C ATOM 875 C CYS A 60 -1.139 8.051 5.182 1.00 0.00 C ATOM 876 O CYS A 60 -1.366 7.092 5.918 1.00 0.00 O ATOM 877 CB CYS A 60 -1.301 6.916 2.921 1.00 0.00 C ATOM 878 SG CYS A 60 -2.960 6.649 3.650 1.00 0.00 S ATOM 0 H CYS A 60 1.121 7.208 5.011 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.433 8.798 3.291 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.397 7.349 1.925 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.787 5.962 2.805 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.851 6.511 4.938 1.00 0.00 H new ATOM 884 N SER A 61 -1.428 9.310 5.481 1.00 0.00 N ATOM 885 CA SER A 61 -2.056 9.654 6.744 1.00 0.00 C ATOM 886 C SER A 61 -3.494 10.119 6.505 1.00 0.00 C ATOM 887 O SER A 61 -4.377 9.865 7.322 1.00 0.00 O ATOM 888 CB SER A 61 -1.263 10.738 7.477 1.00 0.00 C ATOM 889 OG SER A 61 -1.545 12.040 6.972 1.00 0.00 O ATOM 0 H SER A 61 -1.238 10.104 4.869 1.00 0.00 H new ATOM 0 HA SER A 61 -2.069 8.763 7.372 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.499 10.703 8.541 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.196 10.535 7.380 1.00 0.00 H new ATOM 0 HG SER A 61 -1.021 12.704 7.467 1.00 0.00 H new ATOM 895 N THR A 62 -3.684 10.795 5.380 1.00 0.00 N ATOM 896 CA THR A 62 -4.998 11.299 5.023 1.00 0.00 C ATOM 897 C THR A 62 -6.048 10.194 5.159 1.00 0.00 C ATOM 898 O THR A 62 -5.707 9.016 5.254 1.00 0.00 O ATOM 899 CB THR A 62 -4.913 11.885 3.613 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.558 11.670 3.229 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.067 13.407 3.601 1.00 0.00 C ATOM 0 H THR A 62 -2.949 11.005 4.705 1.00 0.00 H new ATOM 0 HA THR A 62 -5.315 12.091 5.701 1.00 0.00 H new ATOM 0 HB THR A 62 -5.685 11.437 2.987 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.327 10.727 3.360 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.999 13.772 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.037 13.678 4.019 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.275 13.858 4.200 1.00 0.00 H new ATOM 909 N ASP A 63 -7.306 10.613 5.164 1.00 0.00 N ATOM 910 CA ASP A 63 -8.407 9.674 5.287 1.00 0.00 C ATOM 911 C ASP A 63 -8.520 8.856 3.999 1.00 0.00 C ATOM 912 O ASP A 63 -9.010 9.353 2.986 1.00 0.00 O ATOM 913 CB ASP A 63 -9.733 10.405 5.503 1.00 0.00 C ATOM 914 CG ASP A 63 -10.140 10.592 6.965 1.00 0.00 C ATOM 915 OD1 ASP A 63 -10.141 11.716 7.489 1.00 0.00 O ATOM 916 OD2 ASP A 63 -10.472 9.507 7.581 1.00 0.00 O ATOM 0 H ASP A 63 -7.586 11.591 5.085 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.208 9.030 6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.670 11.386 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.521 9.854 4.990 1.00 0.00 H new ATOM 922 N LYS A 64 -8.060 7.617 4.081 1.00 0.00 N ATOM 923 CA LYS A 64 -8.104 6.725 2.935 1.00 0.00 C ATOM 924 C LYS A 64 -7.195 7.274 1.833 1.00 0.00 C ATOM 925 O LYS A 64 -7.616 7.406 0.685 1.00 0.00 O ATOM 926 CB LYS A 64 -9.549 6.500 2.485 1.00 0.00 C ATOM 927 CG LYS A 64 -10.380 5.871 3.604 1.00 0.00 C ATOM 928 CD LYS A 64 -11.859 5.799 3.215 1.00 0.00 C ATOM 929 CE LYS A 64 -12.591 4.736 4.037 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.983 5.156 4.305 1.00 0.00 N ATOM 0 H LYS A 64 -7.655 7.209 4.924 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.722 5.740 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.993 7.450 2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.564 5.853 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.008 4.869 3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.269 6.456 4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.327 6.771 3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.949 5.569 2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.588 3.787 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.067 4.571 4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.465 4.423 4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.980 6.050 4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.485 5.290 3.404 1.00 0.00 H new ATOM 944 N CYS A 65 -5.965 7.577 2.221 1.00 0.00 N ATOM 945 CA CYS A 65 -4.994 8.109 1.281 1.00 0.00 C ATOM 946 C CYS A 65 -4.085 6.963 0.829 1.00 0.00 C ATOM 947 O CYS A 65 -2.932 7.187 0.466 1.00 0.00 O ATOM 948 CB CYS A 65 -4.196 9.266 1.885 1.00 0.00 C ATOM 949 SG CYS A 65 -3.817 8.915 3.640 1.00 0.00 S ATOM 0 H CYS A 65 -5.619 7.464 3.174 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.511 8.524 0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.271 9.411 1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.765 10.192 1.805 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.987 7.648 3.876 1.00 0.00 H new ATOM 955 N ASN A 66 -4.640 5.760 0.869 1.00 0.00 N ATOM 956 CA ASN A 66 -3.894 4.580 0.468 1.00 0.00 C ATOM 957 C ASN A 66 -4.451 4.054 -0.855 1.00 0.00 C ATOM 958 O ASN A 66 -4.106 2.954 -1.286 1.00 0.00 O ATOM 959 CB ASN A 66 -4.023 3.467 1.510 1.00 0.00 C ATOM 960 CG ASN A 66 -2.657 3.108 2.101 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.417 1.995 2.540 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.781 4.107 2.085 1.00 0.00 N ATOM 0 H ASN A 66 -5.597 5.578 1.173 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.846 4.862 0.368 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.695 3.786 2.306 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.468 2.584 1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.841 3.967 2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.049 5.014 1.702 1.00 0.00 H new ATOM 969 N PRO A 67 -5.326 4.885 -1.482 1.00 0.00 N ATOM 970 CA PRO A 67 -5.936 4.515 -2.748 1.00 0.00 C ATOM 971 C PRO A 67 -4.935 4.648 -3.897 1.00 0.00 C ATOM 972 O PRO A 67 -5.067 5.533 -4.740 1.00 0.00 O ATOM 973 CB PRO A 67 -7.134 5.438 -2.893 1.00 0.00 C ATOM 974 CG PRO A 67 -6.886 6.595 -1.940 1.00 0.00 C ATOM 975 CD PRO A 67 -5.759 6.193 -1.001 1.00 0.00 C ATOM 0 HA PRO A 67 -6.250 3.472 -2.775 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.233 5.792 -3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.060 4.919 -2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.619 7.495 -2.494 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.790 6.825 -1.375 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.943 6.915 -1.029 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.103 6.141 0.032 1.00 0.00 H new ATOM 983 N HIS A 68 -3.956 3.755 -3.894 1.00 0.00 N ATOM 984 CA HIS A 68 -2.933 3.762 -4.925 1.00 0.00 C ATOM 985 C HIS A 68 -3.563 4.132 -6.270 1.00 0.00 C ATOM 986 O HIS A 68 -4.762 3.947 -6.470 1.00 0.00 O ATOM 987 CB HIS A 68 -2.193 2.424 -4.966 1.00 0.00 C ATOM 988 CG HIS A 68 -3.102 1.220 -5.012 1.00 0.00 C ATOM 989 ND1 HIS A 68 -3.015 0.253 -5.998 1.00 0.00 N ATOM 990 CD2 HIS A 68 -4.117 0.836 -4.184 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.941 -0.667 -5.765 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.623 -0.302 -4.642 1.00 0.00 N ATOM 0 H HIS A 68 -3.850 3.021 -3.193 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.183 4.518 -4.693 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.541 2.408 -5.840 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.551 2.348 -4.088 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.351 0.249 -6.772 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.451 1.368 -3.306 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.123 -1.550 -6.360 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.702 4.662 -7.181 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.162 5.059 -8.500 1.00 0.00 C ATOM 1003 C PRO A 69 -3.404 3.835 -9.388 1.00 0.00 C ATOM 1004 O PRO A 69 -2.457 3.236 -9.895 1.00 0.00 O ATOM 1005 CB PRO A 69 -2.075 5.976 -9.036 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.838 5.690 -8.198 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.276 4.895 -6.978 1.00 0.00 C ATOM 0 HA PRO A 69 -4.122 5.574 -8.473 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.885 5.781 -10.092 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.370 7.022 -8.953 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.106 5.128 -8.777 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.358 6.621 -7.895 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.728 3.956 -6.900 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.092 5.449 -6.057 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.676 3.503 -9.548 1.00 0.00 N ATOM 1016 CA LYS A 70 -5.055 2.363 -10.365 1.00 0.00 C ATOM 1017 C LYS A 70 -6.544 2.453 -10.701 1.00 0.00 C ATOM 1018 O LYS A 70 -6.953 2.129 -11.816 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.658 1.055 -9.676 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.788 1.324 -8.446 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.532 2.192 -7.429 1.00 0.00 C ATOM 1022 CE LYS A 70 -5.991 1.751 -7.295 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.777 2.772 -6.566 1.00 0.00 N ATOM 0 H LYS A 70 -5.458 4.004 -9.126 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.514 2.376 -11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.554 0.510 -9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.116 0.421 -10.377 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.503 0.379 -7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.867 1.821 -8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.038 2.127 -6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.491 3.236 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.421 1.591 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.042 0.799 -6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.581 2.316 -6.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.172 3.236 -5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.131 3.483 -7.238 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.315 2.896 -9.719 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.750 3.031 -9.896 1.00 0.00 C ATOM 1039 C GLN A 71 -9.052 3.937 -11.093 1.00 0.00 C ATOM 1040 O GLN A 71 -9.385 5.109 -10.921 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.413 3.565 -8.624 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.699 2.430 -7.639 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.077 2.981 -6.263 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -9.178 2.732 -5.316 1.00 0.00 O flip ATOM 1045 NE2 GLN A 71 -11.116 3.591 -6.074 1.00 0.00 N flip ATOM 0 H GLN A 71 -6.972 3.166 -8.797 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.167 2.044 -10.095 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.765 4.305 -8.154 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.343 4.073 -8.880 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.509 1.808 -8.021 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.821 1.791 -7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.763 3.748 -6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.338 3.945 -5.143 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.927 3.359 -12.278 1.00 0.00 N ATOM 1055 CA ARG A 72 -9.182 4.100 -13.502 1.00 0.00 C ATOM 1056 C ARG A 72 -9.474 3.136 -14.654 1.00 0.00 C ATOM 1057 O ARG A 72 -8.722 2.189 -14.882 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.988 4.981 -13.872 1.00 0.00 C ATOM 1059 CG ARG A 72 -8.074 5.436 -15.330 1.00 0.00 C ATOM 1060 CD ARG A 72 -7.681 6.908 -15.469 1.00 0.00 C ATOM 1061 NE ARG A 72 -8.857 7.712 -15.867 1.00 0.00 N ATOM 1062 CZ ARG A 72 -9.539 7.535 -17.019 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -9.166 6.580 -17.897 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -10.575 8.312 -17.274 1.00 0.00 N ATOM 0 H ARG A 72 -8.653 2.386 -12.417 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.049 4.738 -13.329 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.957 5.852 -13.217 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.061 4.429 -13.713 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.418 4.821 -15.946 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.088 5.290 -15.701 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.281 7.277 -14.524 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.890 7.013 -16.212 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.172 8.445 -15.232 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.363 5.985 -17.693 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.687 6.453 -18.765 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.849 9.032 -16.606 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.102 8.192 -18.139 1.00 0.00 H new ATOM 1078 N PRO A 73 -10.596 3.418 -15.370 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.996 2.587 -16.492 1.00 0.00 C ATOM 1080 C PRO A 73 -10.111 2.850 -17.712 1.00 0.00 C ATOM 1081 O PRO A 73 -10.343 3.799 -18.459 1.00 0.00 O ATOM 1082 CB PRO A 73 -12.457 2.929 -16.734 1.00 0.00 C ATOM 1083 CG PRO A 73 -12.691 4.265 -16.048 1.00 0.00 C ATOM 1084 CD PRO A 73 -11.510 4.531 -15.129 1.00 0.00 C ATOM 0 HA PRO A 73 -10.878 1.522 -16.290 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.671 2.995 -17.801 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.111 2.160 -16.324 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.787 5.061 -16.786 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.620 4.244 -15.479 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.039 5.487 -15.356 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.821 4.569 -14.085 1.00 0.00 H new ATOM 1092 N GLY A 74 -9.113 1.993 -17.875 1.00 0.00 N ATOM 1093 CA GLY A 74 -8.192 2.121 -18.992 1.00 0.00 C ATOM 1094 C GLY A 74 -7.139 1.010 -18.964 1.00 0.00 C ATOM 1095 O GLY A 74 -6.252 0.971 -19.814 1.00 0.00 O ATOM 0 H GLY A 74 -8.922 1.208 -17.253 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.745 2.080 -19.931 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.701 3.093 -18.954 1.00 0.00 H new TER 1099 GLY A 74 ATOM 1100 N HIS B 1 -7.485 -9.304 -11.005 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.571 -9.843 -9.660 1.00 0.00 C ATOM 1102 C HIS B 1 -6.327 -9.440 -8.864 1.00 0.00 C ATOM 1103 O HIS B 1 -5.633 -10.296 -8.316 1.00 0.00 O ATOM 1104 CB HIS B 1 -7.788 -11.358 -9.693 1.00 0.00 C ATOM 1105 CG HIS B 1 -7.521 -12.046 -8.376 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -6.456 -12.909 -8.184 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -8.188 -11.989 -7.188 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -6.493 -13.347 -6.934 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -7.567 -12.776 -6.318 1.00 0.00 N ATOM 0 H1 HIS B 1 -8.380 -9.476 -11.506 1.00 0.00 H new ATOM 0 H2 HIS B 1 -7.306 -8.281 -10.958 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.707 -9.768 -11.516 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.438 -9.421 -9.152 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -8.815 -11.561 -9.995 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -7.140 -11.791 -10.455 1.00 0.00 H new ATOM 0 HD1 HIS B 1 -5.761 -13.164 -8.885 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -9.073 -11.402 -6.989 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -5.795 -14.036 -6.482 1.00 0.00 H new ATOM 1118 N ARG B 2 -6.084 -8.139 -8.826 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.936 -7.613 -8.108 1.00 0.00 C ATOM 1120 C ARG B 2 -5.088 -6.105 -7.895 1.00 0.00 C ATOM 1121 O ARG B 2 -6.040 -5.499 -8.385 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.637 -7.884 -8.870 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.874 -9.058 -8.251 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.590 -8.579 -7.573 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.196 -9.528 -6.507 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.969 -9.834 -5.442 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.184 -9.266 -5.294 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.517 -10.695 -4.551 1.00 0.00 N ATOM 0 H ARG B 2 -6.663 -7.433 -9.281 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.890 -8.118 -7.143 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.862 -8.102 -9.914 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -3.011 -6.992 -8.858 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.507 -9.565 -7.523 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.631 -9.787 -9.024 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.790 -8.494 -8.309 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.741 -7.586 -7.150 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.284 -9.979 -6.581 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.524 -8.601 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.762 -9.502 -4.488 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.597 -11.118 -4.672 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -2.087 -10.937 -3.741 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.136 -5.543 -7.165 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.153 -4.118 -6.882 1.00 0.00 C ATOM 1144 C TYR B 3 -2.922 -3.428 -7.473 1.00 0.00 C ATOM 1145 O TYR B 3 -2.336 -2.548 -6.843 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.112 -3.992 -5.357 1.00 0.00 C ATOM 1147 CG TYR B 3 -3.583 -5.237 -4.644 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -4.450 -6.255 -4.299 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -2.241 -5.343 -4.343 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.953 -7.426 -3.627 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -1.744 -6.515 -3.671 1.00 0.00 C ATOM 1152 CZ TYR B 3 -2.623 -7.500 -3.346 1.00 0.00 C ATOM 1153 OH TYR B 3 -2.154 -8.607 -2.710 1.00 0.00 O ATOM 0 H TYR B 3 -3.348 -6.049 -6.761 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.036 -3.649 -7.317 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.487 -3.140 -5.090 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.117 -3.777 -4.993 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -5.501 -6.172 -4.534 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -1.563 -4.546 -4.612 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -4.621 -8.229 -3.351 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -0.695 -6.610 -3.430 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.612 -8.709 -1.850 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.566 -3.851 -8.677 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.416 -3.285 -9.360 1.00 0.00 C ATOM 1165 C TYR B 4 -1.560 -1.769 -9.510 1.00 0.00 C ATOM 1166 O TYR B 4 -2.588 -1.200 -9.149 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.395 -3.924 -10.749 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.384 -5.065 -10.895 1.00 0.00 C ATOM 1169 CD1 TYR B 4 0.922 -4.789 -11.242 1.00 0.00 C ATOM 1170 CD2 TYR B 4 -0.781 -6.368 -10.677 1.00 0.00 C ATOM 1171 CE1 TYR B 4 1.873 -5.862 -11.379 1.00 0.00 C ATOM 1172 CE2 TYR B 4 0.169 -7.442 -10.814 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.449 -7.136 -11.158 1.00 0.00 C ATOM 1174 OH TYR B 4 2.346 -8.149 -11.287 1.00 0.00 O ATOM 0 H TYR B 4 -3.054 -4.580 -9.197 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.502 -3.477 -8.798 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.391 -4.303 -10.978 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -1.169 -3.155 -11.488 1.00 0.00 H new ATOM 0 HD1 TYR B 4 1.232 -3.768 -11.411 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -1.804 -6.583 -10.404 1.00 0.00 H new ATOM 0 HE1 TYR B 4 2.899 -5.660 -11.651 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -0.128 -8.467 -10.647 1.00 0.00 H new ATOM 0 HH TYR B 4 3.082 -8.016 -10.654 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.513 -1.158 -10.047 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.511 0.280 -10.250 1.00 0.00 C ATOM 1186 C GLU B 5 -1.059 0.623 -11.636 1.00 0.00 C ATOM 1187 O GLU B 5 -0.527 1.495 -12.322 1.00 0.00 O ATOM 1188 CB GLU B 5 0.894 0.858 -10.059 1.00 0.00 C ATOM 1189 CG GLU B 5 1.720 0.725 -11.339 1.00 0.00 C ATOM 1190 CD GLU B 5 2.125 2.098 -11.877 1.00 0.00 C ATOM 1191 OE1 GLU B 5 2.627 2.939 -11.115 1.00 0.00 O ATOM 1192 OE2 GLU B 5 1.901 2.280 -13.135 1.00 0.00 O ATOM 0 H GLU B 5 0.338 -1.633 -10.347 1.00 0.00 H new ATOM 0 HA GLU B 5 -1.161 0.733 -9.502 1.00 0.00 H new ATOM 0 HB2 GLU B 5 0.824 1.908 -9.775 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.396 0.340 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.612 0.131 -11.140 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.143 0.191 -12.094 1.00 0.00 H new ATOM 1200 N SER B 6 -2.118 -0.082 -12.009 1.00 0.00 N ATOM 1201 CA SER B 6 -2.745 0.135 -13.302 1.00 0.00 C ATOM 1202 C SER B 6 -4.257 -0.063 -13.189 1.00 0.00 C ATOM 1203 O SER B 6 -5.008 0.344 -14.074 1.00 0.00 O ATOM 1204 CB SER B 6 -2.164 -0.803 -14.361 1.00 0.00 C ATOM 1205 OG SER B 6 -2.642 -0.496 -15.667 1.00 0.00 O ATOM 0 H SER B 6 -2.557 -0.804 -11.438 1.00 0.00 H new ATOM 0 HA SER B 6 -2.541 1.160 -13.613 1.00 0.00 H new ATOM 0 HB2 SER B 6 -1.076 -0.735 -14.348 1.00 0.00 H new ATOM 0 HB3 SER B 6 -2.422 -1.833 -14.114 1.00 0.00 H new ATOM 0 HG SER B 6 -3.508 -0.042 -15.600 1.00 0.00 H new ATOM 1211 N SER B 7 -4.660 -0.689 -12.094 1.00 0.00 N ATOM 1212 CA SER B 7 -6.070 -0.947 -11.853 1.00 0.00 C ATOM 1213 C SER B 7 -6.291 -1.331 -10.389 1.00 0.00 C ATOM 1214 O SER B 7 -5.332 -1.536 -9.647 1.00 0.00 O ATOM 1215 CB SER B 7 -6.593 -2.049 -12.777 1.00 0.00 C ATOM 1216 OG SER B 7 -7.854 -2.552 -12.346 1.00 0.00 O ATOM 0 H SER B 7 -4.034 -1.026 -11.362 1.00 0.00 H new ATOM 0 HA SER B 7 -6.626 -0.035 -12.069 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.685 -1.659 -13.791 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.871 -2.864 -12.814 1.00 0.00 H new ATOM 0 HG SER B 7 -8.560 -1.916 -12.587 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.560 -1.419 -10.019 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.919 -1.775 -8.656 1.00 0.00 C ATOM 1224 C LEU B 8 -8.965 -2.891 -8.685 1.00 0.00 C ATOM 1225 O LEU B 8 -9.153 -3.597 -7.694 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.361 -0.536 -7.877 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.609 -0.737 -6.381 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -10.084 -1.025 -6.102 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -7.695 -1.827 -5.816 1.00 0.00 C ATOM 0 H LEU B 8 -8.352 -1.250 -10.639 1.00 0.00 H new ATOM 0 HA LEU B 8 -7.052 -2.164 -8.122 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.601 0.235 -7.998 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.277 -0.155 -8.329 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.361 0.191 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -10.231 -1.164 -5.031 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.690 -0.187 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -10.384 -1.930 -6.630 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.891 -1.950 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -7.888 -2.768 -6.332 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.654 -1.540 -5.962 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.620 -3.016 -9.830 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.642 -4.034 -10.000 1.00 0.00 C ATOM 1243 C GLU B 9 -10.007 -5.362 -10.409 1.00 0.00 C ATOM 1244 O GLU B 9 -9.024 -5.383 -11.148 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.693 -3.591 -11.020 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.312 -2.249 -10.624 1.00 0.00 C ATOM 1247 CD GLU B 9 -13.633 -2.453 -9.879 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -14.709 -2.312 -10.476 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -13.513 -2.771 -8.634 1.00 0.00 O ATOM 0 H GLU B 9 -9.463 -2.429 -10.649 1.00 0.00 H new ATOM 0 HA GLU B 9 -11.147 -4.176 -9.045 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.235 -3.507 -12.006 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.474 -4.348 -11.094 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.616 -1.696 -9.993 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.483 -1.646 -11.516 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.608 -6.470 -9.898 1.00 0.00 N ATOM 1258 CA PRO B 10 -10.111 -7.801 -10.203 1.00 0.00 C ATOM 1259 C PRO B 10 -10.485 -8.213 -11.628 1.00 0.00 C ATOM 1260 O PRO B 10 -10.803 -9.375 -11.879 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.724 -8.702 -9.143 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.902 -7.931 -8.571 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.774 -6.485 -9.019 1.00 0.00 C ATOM 0 HA PRO B 10 -9.023 -7.860 -10.176 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -11.049 -9.648 -9.575 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.998 -8.940 -8.365 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.843 -8.357 -8.920 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.908 -7.994 -7.483 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.670 -6.152 -9.544 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.637 -5.818 -8.168 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.435 -7.238 -12.524 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.765 -7.486 -13.917 1.00 0.00 C ATOM 1273 C TRP B 11 -9.701 -6.807 -14.782 1.00 0.00 C ATOM 1274 O TRP B 11 -9.267 -7.364 -15.790 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.185 -7.013 -14.235 1.00 0.00 C ATOM 1276 CG TRP B 11 -12.845 -7.762 -15.396 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -12.786 -7.475 -16.704 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -13.669 -8.943 -15.299 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.510 -8.381 -17.453 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -14.064 -9.302 -16.571 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -14.067 -9.684 -14.172 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -14.877 -10.409 -16.838 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -14.882 -10.788 -14.456 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -15.287 -11.162 -15.732 1.00 0.00 C ATOM 0 H TRP B 11 -10.171 -6.276 -12.312 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.759 -8.555 -14.132 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.803 -7.127 -13.344 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.158 -5.949 -14.471 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.241 -6.640 -17.120 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -13.619 -8.376 -18.467 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -13.768 -9.423 -13.167 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -15.172 -10.668 -17.844 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -15.219 -11.390 -13.625 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -15.915 -12.030 -15.869 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.312 -5.613 -14.359 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.308 -4.853 -15.083 1.00 0.00 C ATOM 1297 C TYR B 12 -6.914 -5.090 -14.498 1.00 0.00 C ATOM 1298 O TYR B 12 -5.920 -5.062 -15.222 1.00 0.00 O ATOM 1299 CB TYR B 12 -8.681 -3.380 -14.900 1.00 0.00 C ATOM 1300 CG TYR B 12 -9.886 -2.935 -15.729 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -10.583 -3.858 -16.484 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -10.278 -1.612 -15.725 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -11.719 -3.440 -17.265 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -11.413 -1.194 -16.505 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.078 -2.128 -17.237 1.00 0.00 C ATOM 1306 OH TYR B 12 -13.148 -1.733 -17.974 1.00 0.00 O ATOM 0 H TYR B 12 -9.674 -5.153 -13.524 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.283 -5.151 -16.131 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -8.891 -3.197 -13.846 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -7.823 -2.763 -15.166 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -10.276 -4.893 -16.489 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -9.733 -0.889 -15.136 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -12.273 -4.152 -17.859 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -11.730 -0.162 -16.509 1.00 0.00 H new ATOM 0 HH TYR B 12 -13.288 -0.770 -17.857 1.00 0.00 H new ATOM 1316 N PRO B 13 -6.885 -5.324 -13.159 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.629 -5.566 -12.469 1.00 0.00 C ATOM 1318 C PRO B 13 -5.105 -6.974 -12.762 1.00 0.00 C ATOM 1319 O PRO B 13 -3.903 -7.168 -12.941 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.940 -5.343 -10.998 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.451 -5.440 -10.871 1.00 0.00 C ATOM 1322 CD PRO B 13 -8.042 -5.366 -12.269 1.00 0.00 C ATOM 0 HA PRO B 13 -4.832 -4.900 -12.800 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.447 -6.091 -10.377 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.582 -4.368 -10.667 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.734 -6.374 -10.386 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.835 -4.630 -10.251 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.672 -6.230 -12.479 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.666 -4.480 -12.389 1.00 0.00 H new ATOM 1330 N ASP B 14 -6.032 -7.920 -12.802 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.678 -9.304 -13.071 1.00 0.00 C ATOM 1332 C ASP B 14 -6.954 -10.114 -13.311 1.00 0.00 C ATOM 1333 O ASP B 14 -7.322 -10.372 -14.456 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.941 -9.923 -11.883 1.00 0.00 C ATOM 1335 CG ASP B 14 -5.149 -11.429 -11.707 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.508 -12.140 -12.657 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.923 -11.875 -10.517 1.00 0.00 O ATOM 0 H ASP B 14 -7.028 -7.756 -12.653 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.030 -9.324 -13.947 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.874 -9.729 -11.995 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.262 -9.418 -10.972 1.00 0.00 H new TER 1343 ASP B 14