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+ -151:sc= -0.867! (180deg=-4.23!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= 0.538 F(o=-9.2!,f=-0.33) USER MOD Set 2.1: A 3 CYS SG : rot -91:sc= -11.1! USER MOD Set 2.2: A 16 CYS SG : rot 114:sc= -5.63! USER MOD Set 2.3: A 23 CYS SG : rot -104:sc= -13.4! USER MOD Set 2.4: A 44 CYS SG : rot -75:sc= -12.7! USER MOD Set 2.5: A 60 CYS SG : rot -44:sc= -21.6! USER MOD Set 2.6: A 62 THR OG1 : rot 62:sc= -1.5! USER MOD Set 2.7: A 65 CYS SG : rot 14:sc= -27.7! USER MOD Set 2.8: A 66 ASN : amide:sc= -11.2! C(o=-1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -42:sc= -0.0608! USER MOD Set 3.2: A 59 CYS SG : rot 132:sc= -8.96! USER MOD Set 4.1: A 29 CYS SG : rot -135:sc= -3.72! USER MOD Set 4.2: A 33 CYS SG : rot -57:sc= 1.49! USER MOD Set 4.3: A 38 LYS NZ :NH3+ -134:sc= 0.959 (180deg=-0.0293) USER MOD Set 5.1: A 5 THR OG1 : rot -23:sc= 1.28! USER MOD Set 5.2: A 8 THR OG1 : rot 76:sc= -1.42 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= 0.0513 USER MOD Single : A 1 ILE N :NH3+ -118:sc= -0.201 (180deg=-0.531) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -12! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -75:sc= -2.8 USER MOD Single : A 12 SER OG : rot 180:sc= -0.698 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0853 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.99 F(o=-5.6!,f=-2) 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 144:sc= -1.28 (180deg=-1.55!) 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 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 49:sc= 1.17 USER MOD Single : A 51 LYS NZ :NH3+ 125:sc= -1.03 (180deg=-1.36) 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= -0.264 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= -37.8! C(o=-38!,f=-44!) USER MOD Single : B 1 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-2.5!) USER MOD Single : B 1 HIS N :NH3+ -163:sc= -12.3! (180deg=-12.7!) USER MOD Single : B 3 TYR OH : rot 126:sc= 0.153 USER MOD Single : B 4 TYR OH : rot -115:sc= -0.319 USER MOD Single : B 6 SER OG : rot -35:sc= 0.408 USER MOD Single : B 7 SER OG : rot 67:sc= -9.76! USER MOD Single : B 12 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -6.017 6.573 12.296 1.00 0.00 N ATOM 2 CA ILE A 1 -6.590 6.710 10.968 1.00 0.00 C ATOM 3 C ILE A 1 -6.874 5.320 10.394 1.00 0.00 C ATOM 4 O ILE A 1 -6.813 4.323 11.113 1.00 0.00 O ATOM 5 CB ILE A 1 -5.688 7.568 10.080 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.308 6.928 9.918 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.597 9.000 10.613 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.550 7.548 8.743 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.647 7.018 12.994 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.906 5.564 12.524 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.087 7.038 12.323 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.543 7.237 11.018 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.136 7.621 9.088 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.733 7.058 10.835 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.417 5.855 9.759 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.950 9.589 9.964 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.592 9.444 10.634 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.184 8.987 11.622 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.572 7.075 8.650 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.116 7.395 7.824 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.421 8.616 8.916 1.00 0.00 H new ATOM 20 N VAL A 2 -7.178 5.296 9.105 1.00 0.00 N ATOM 21 CA VAL A 2 -7.471 4.045 8.427 1.00 0.00 C ATOM 22 C VAL A 2 -6.570 3.914 7.198 1.00 0.00 C ATOM 23 O VAL A 2 -6.091 4.913 6.664 1.00 0.00 O ATOM 24 CB VAL A 2 -8.961 3.971 8.087 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.381 2.533 7.775 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.811 4.557 9.216 1.00 0.00 C ATOM 0 H VAL A 2 -7.228 6.124 8.511 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.258 3.198 9.079 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.131 4.572 7.193 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.444 2.508 7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.809 2.164 6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.189 1.901 8.642 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.866 4.492 8.949 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.634 3.996 10.134 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.540 5.601 9.371 1.00 0.00 H new ATOM 36 N CYS A 3 -6.367 2.671 6.782 1.00 0.00 N ATOM 37 CA CYS A 3 -5.532 2.396 5.626 1.00 0.00 C ATOM 38 C CYS A 3 -6.120 1.194 4.884 1.00 0.00 C ATOM 39 O CYS A 3 -6.732 0.320 5.497 1.00 0.00 O ATOM 40 CB CYS A 3 -4.074 2.163 6.024 1.00 0.00 C ATOM 41 SG CYS A 3 -3.662 3.153 7.507 1.00 0.00 S ATOM 0 H CYS A 3 -6.767 1.844 7.226 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.525 3.262 4.965 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.909 1.105 6.226 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.416 2.437 5.200 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.207 4.315 7.141 1.00 0.00 H new ATOM 47 N HIS A 4 -5.917 1.190 3.575 1.00 0.00 N ATOM 48 CA HIS A 4 -6.420 0.110 2.742 1.00 0.00 C ATOM 49 C HIS A 4 -5.428 -1.055 2.758 1.00 0.00 C ATOM 50 O HIS A 4 -4.221 -0.845 2.857 1.00 0.00 O ATOM 51 CB HIS A 4 -6.725 0.611 1.329 1.00 0.00 C ATOM 52 CG HIS A 4 -7.372 1.974 1.287 1.00 0.00 C ATOM 53 ND1 HIS A 4 -6.933 3.153 0.759 1.00 0.00 N flip ATOM 54 CD2 HIS A 4 -8.617 2.231 1.833 1.00 0.00 C flip ATOM 55 CE1 HIS A 4 -7.861 4.079 0.969 1.00 0.00 C flip ATOM 56 NE2 HIS A 4 -8.905 3.509 1.635 1.00 0.00 N flip ATOM 0 H HIS A 4 -5.411 1.918 3.070 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.364 -0.257 3.146 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.797 0.643 0.758 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.380 -0.106 0.834 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -9.247 1.512 2.335 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.799 5.113 0.663 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -9.759 3.983 1.929 1.00 0.00 H new ATOM 65 N THR A 5 -5.976 -2.257 2.660 1.00 0.00 N ATOM 66 CA THR A 5 -5.155 -3.457 2.661 1.00 0.00 C ATOM 67 C THR A 5 -5.223 -4.150 1.301 1.00 0.00 C ATOM 68 O THR A 5 -6.278 -4.634 0.897 1.00 0.00 O ATOM 69 CB THR A 5 -5.617 -4.342 3.820 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.649 -5.144 3.252 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.324 -3.549 4.920 1.00 0.00 C ATOM 0 H THR A 5 -6.979 -2.426 2.579 1.00 0.00 H new ATOM 0 HA THR A 5 -4.103 -3.218 2.815 1.00 0.00 H new ATOM 0 HB THR A 5 -4.758 -4.861 4.245 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.019 -4.692 2.466 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.630 -4.226 5.717 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.643 -2.799 5.323 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.203 -3.056 4.505 1.00 0.00 H new ATOM 79 N THR A 6 -4.080 -4.177 0.629 1.00 0.00 N ATOM 80 CA THR A 6 -3.995 -4.803 -0.679 1.00 0.00 C ATOM 81 C THR A 6 -3.319 -6.173 -0.573 1.00 0.00 C ATOM 82 O THR A 6 -3.429 -6.995 -1.479 1.00 0.00 O ATOM 83 CB THR A 6 -3.270 -3.840 -1.619 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.835 -2.784 -0.766 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.219 -3.155 -2.604 1.00 0.00 C ATOM 0 H THR A 6 -3.206 -3.775 0.967 1.00 0.00 H new ATOM 0 HA THR A 6 -4.986 -4.995 -1.089 1.00 0.00 H new ATOM 0 HB THR A 6 -2.503 -4.383 -2.172 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.599 -2.218 -0.530 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.652 -2.482 -3.248 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.716 -3.909 -3.215 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.967 -2.585 -2.052 1.00 0.00 H new ATOM 93 N ALA A 7 -2.634 -6.373 0.544 1.00 0.00 N ATOM 94 CA ALA A 7 -1.939 -7.626 0.782 1.00 0.00 C ATOM 95 C ALA A 7 -2.920 -8.642 1.374 1.00 0.00 C ATOM 96 O ALA A 7 -3.007 -9.774 0.900 1.00 0.00 O ATOM 97 CB ALA A 7 -0.735 -7.379 1.691 1.00 0.00 C ATOM 0 H ALA A 7 -2.546 -5.688 1.294 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.560 -8.039 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.214 -8.320 1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.056 -6.674 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.075 -6.967 2.641 1.00 0.00 H new ATOM 103 N THR A 8 -3.630 -8.200 2.401 1.00 0.00 N ATOM 104 CA THR A 8 -4.599 -9.057 3.064 1.00 0.00 C ATOM 105 C THR A 8 -5.850 -9.216 2.198 1.00 0.00 C ATOM 106 O THR A 8 -5.841 -9.957 1.217 1.00 0.00 O ATOM 107 CB THR A 8 -4.886 -8.465 4.445 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.747 -7.060 4.256 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.803 -8.813 5.468 1.00 0.00 C ATOM 0 H THR A 8 -3.554 -7.260 2.790 1.00 0.00 H new ATOM 0 HA THR A 8 -4.208 -10.065 3.202 1.00 0.00 H new ATOM 0 HB THR A 8 -5.851 -8.826 4.801 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.537 -6.713 3.792 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.056 -8.368 6.431 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.737 -9.896 5.574 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.843 -8.423 5.129 1.00 0.00 H new ATOM 117 N SER A 9 -6.898 -8.507 2.593 1.00 0.00 N ATOM 118 CA SER A 9 -8.155 -8.560 1.866 1.00 0.00 C ATOM 119 C SER A 9 -7.966 -8.002 0.454 1.00 0.00 C ATOM 120 O SER A 9 -6.841 -7.912 -0.037 1.00 0.00 O ATOM 121 CB SER A 9 -9.250 -7.785 2.601 1.00 0.00 C ATOM 122 OG SER A 9 -8.982 -7.677 3.996 1.00 0.00 O ATOM 0 H SER A 9 -6.902 -7.893 3.407 1.00 0.00 H new ATOM 0 HA SER A 9 -8.468 -9.602 1.800 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.339 -6.788 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.208 -8.283 2.453 1.00 0.00 H new ATOM 0 HG SER A 9 -9.703 -7.174 4.430 1.00 0.00 H new ATOM 128 N PRO A 10 -9.113 -7.633 -0.176 1.00 0.00 N ATOM 129 CA PRO A 10 -9.085 -7.086 -1.522 1.00 0.00 C ATOM 130 C PRO A 10 -8.582 -5.641 -1.516 1.00 0.00 C ATOM 131 O PRO A 10 -7.629 -5.310 -2.220 1.00 0.00 O ATOM 132 CB PRO A 10 -10.512 -7.215 -2.029 1.00 0.00 C ATOM 133 CG PRO A 10 -11.379 -7.398 -0.793 1.00 0.00 C ATOM 134 CD PRO A 10 -10.462 -7.725 0.374 1.00 0.00 C ATOM 0 HA PRO A 10 -8.394 -7.616 -2.177 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.810 -6.327 -2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.611 -8.064 -2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.949 -6.492 -0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.101 -8.200 -0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.603 -7.024 1.196 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.662 -8.722 0.767 1.00 0.00 H new ATOM 142 N ILE A 11 -9.244 -4.821 -0.714 1.00 0.00 N ATOM 143 CA ILE A 11 -8.875 -3.419 -0.608 1.00 0.00 C ATOM 144 C ILE A 11 -9.997 -2.654 0.098 1.00 0.00 C ATOM 145 O ILE A 11 -11.026 -2.356 -0.507 1.00 0.00 O ATOM 146 CB ILE A 11 -8.517 -2.853 -1.984 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.015 -2.581 -2.089 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.348 -1.609 -2.300 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.648 -2.057 -3.479 1.00 0.00 C ATOM 0 H ILE A 11 -10.033 -5.100 -0.131 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.978 -3.306 0.001 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.763 -3.602 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.720 -1.854 -1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.461 -3.497 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.073 -1.228 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.407 -1.868 -2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.157 -0.843 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.575 -1.872 -3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.922 -2.797 -4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.185 -1.128 -3.671 1.00 0.00 H new ATOM 161 N SER A 12 -9.759 -2.356 1.367 1.00 0.00 N ATOM 162 CA SER A 12 -10.737 -1.632 2.161 1.00 0.00 C ATOM 163 C SER A 12 -10.036 -0.885 3.297 1.00 0.00 C ATOM 164 O SER A 12 -9.126 -1.420 3.930 1.00 0.00 O ATOM 165 CB SER A 12 -11.800 -2.577 2.723 1.00 0.00 C ATOM 166 OG SER A 12 -11.293 -3.381 3.784 1.00 0.00 O ATOM 0 H SER A 12 -8.904 -2.603 1.865 1.00 0.00 H new ATOM 0 HA SER A 12 -11.238 -0.912 1.514 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.648 -1.995 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.171 -3.221 1.925 1.00 0.00 H new ATOM 0 HG SER A 12 -12.003 -3.969 4.117 1.00 0.00 H new ATOM 172 N ALA A 13 -10.487 0.341 3.525 1.00 0.00 N ATOM 173 CA ALA A 13 -9.915 1.167 4.573 1.00 0.00 C ATOM 174 C ALA A 13 -10.431 0.687 5.932 1.00 0.00 C ATOM 175 O ALA A 13 -11.548 1.016 6.327 1.00 0.00 O ATOM 176 CB ALA A 13 -10.251 2.636 4.308 1.00 0.00 C ATOM 0 H ALA A 13 -11.243 0.781 3.000 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.829 1.078 4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.821 3.255 5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.838 2.936 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.333 2.765 4.295 1.00 0.00 H new ATOM 182 N VAL A 14 -9.591 -0.083 6.610 1.00 0.00 N ATOM 183 CA VAL A 14 -9.948 -0.611 7.915 1.00 0.00 C ATOM 184 C VAL A 14 -8.845 -0.267 8.919 1.00 0.00 C ATOM 185 O VAL A 14 -7.671 -0.547 8.678 1.00 0.00 O ATOM 186 CB VAL A 14 -10.217 -2.113 7.815 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.777 -2.480 6.439 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.954 -2.919 8.126 1.00 0.00 C ATOM 0 H VAL A 14 -8.665 -0.353 6.279 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.869 -0.152 8.274 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.969 -2.368 8.561 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.959 -3.554 6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.713 -1.946 6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.059 -2.202 5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.173 -3.984 8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.171 -2.657 7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.617 -2.691 9.137 1.00 0.00 H new ATOM 198 N THR A 15 -9.260 0.337 10.022 1.00 0.00 N ATOM 199 CA THR A 15 -8.322 0.721 11.064 1.00 0.00 C ATOM 200 C THR A 15 -7.371 -0.434 11.379 1.00 0.00 C ATOM 201 O THR A 15 -7.777 -1.595 11.376 1.00 0.00 O ATOM 202 CB THR A 15 -9.129 1.193 12.275 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.130 2.039 11.718 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.325 2.120 13.188 1.00 0.00 C ATOM 0 H THR A 15 -10.234 0.570 10.218 1.00 0.00 H new ATOM 0 HA THR A 15 -7.685 1.544 10.739 1.00 0.00 H new ATOM 0 HB THR A 15 -9.469 0.327 12.844 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.700 2.388 12.435 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.944 2.426 14.032 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.444 1.594 13.556 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.013 3.002 12.628 1.00 0.00 H new ATOM 212 N CYS A 16 -6.124 -0.076 11.643 1.00 0.00 N ATOM 213 CA CYS A 16 -5.111 -1.069 11.961 1.00 0.00 C ATOM 214 C CYS A 16 -4.955 -1.127 13.481 1.00 0.00 C ATOM 215 O CYS A 16 -5.612 -0.383 14.205 1.00 0.00 O ATOM 216 CB CYS A 16 -3.783 -0.768 11.261 1.00 0.00 C ATOM 217 SG CYS A 16 -3.348 -2.137 10.128 1.00 0.00 S ATOM 0 H CYS A 16 -5.791 0.888 11.643 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.427 -2.045 11.592 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.860 0.166 10.704 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.995 -0.633 12.001 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.383 -1.712 8.900 1.00 0.00 H new ATOM 223 N PRO A 17 -4.056 -2.042 13.932 1.00 0.00 N ATOM 224 CA PRO A 17 -3.803 -2.208 15.352 1.00 0.00 C ATOM 225 C PRO A 17 -2.956 -1.057 15.897 1.00 0.00 C ATOM 226 O PRO A 17 -2.667 -0.100 15.179 1.00 0.00 O ATOM 227 CB PRO A 17 -3.119 -3.560 15.477 1.00 0.00 C ATOM 228 CG PRO A 17 -2.596 -3.890 14.088 1.00 0.00 C ATOM 229 CD PRO A 17 -3.257 -2.942 13.103 1.00 0.00 C ATOM 0 HA PRO A 17 -4.716 -2.183 15.946 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.306 -3.521 16.202 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.818 -4.321 15.823 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.512 -3.782 14.053 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.822 -4.925 13.831 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.515 -2.392 12.524 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.881 -3.483 12.391 1.00 0.00 H new ATOM 237 N PRO A 18 -2.570 -1.190 17.195 1.00 0.00 N ATOM 238 CA PRO A 18 -1.761 -0.172 17.843 1.00 0.00 C ATOM 239 C PRO A 18 -0.308 -0.242 17.369 1.00 0.00 C ATOM 240 O PRO A 18 0.378 -1.235 17.604 1.00 0.00 O ATOM 241 CB PRO A 18 -1.914 -0.439 19.332 1.00 0.00 C ATOM 242 CG PRO A 18 -2.421 -1.866 19.450 1.00 0.00 C ATOM 243 CD PRO A 18 -2.895 -2.308 18.076 1.00 0.00 C ATOM 0 HA PRO A 18 -2.082 0.840 17.598 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.963 -0.319 19.850 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.614 0.263 19.785 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.630 -2.523 19.810 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.236 -1.923 20.171 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.392 -3.222 17.759 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.965 -2.516 18.074 1.00 0.00 H new ATOM 251 N GLY A 19 0.118 0.826 16.709 1.00 0.00 N ATOM 252 CA GLY A 19 1.477 0.897 16.199 1.00 0.00 C ATOM 253 C GLY A 19 1.551 1.796 14.963 1.00 0.00 C ATOM 254 O GLY A 19 2.318 2.755 14.935 1.00 0.00 O ATOM 0 H GLY A 19 -0.454 1.648 16.516 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.141 1.282 16.973 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.828 -0.104 15.947 1.00 0.00 H new ATOM 258 N GLU A 20 0.745 1.450 13.970 1.00 0.00 N ATOM 259 CA GLU A 20 0.710 2.212 12.734 1.00 0.00 C ATOM 260 C GLU A 20 0.156 3.616 12.991 1.00 0.00 C ATOM 261 O GLU A 20 -1.046 3.785 13.182 1.00 0.00 O ATOM 262 CB GLU A 20 -0.109 1.486 11.664 1.00 0.00 C ATOM 263 CG GLU A 20 0.475 0.103 11.371 1.00 0.00 C ATOM 264 CD GLU A 20 -0.164 -0.962 12.264 1.00 0.00 C ATOM 265 OE1 GLU A 20 -0.094 -2.159 11.947 1.00 0.00 O ATOM 266 OE2 GLU A 20 -0.747 -0.510 13.321 1.00 0.00 O ATOM 0 H GLU A 20 0.111 0.652 13.997 1.00 0.00 H new ATOM 0 HA GLU A 20 1.730 2.308 12.360 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.142 1.385 11.998 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.126 2.079 10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.312 -0.150 10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.553 0.118 11.531 1.00 0.00 H new ATOM 274 N ASN A 21 1.059 4.583 12.987 1.00 0.00 N ATOM 275 CA ASN A 21 0.678 5.966 13.218 1.00 0.00 C ATOM 276 C ASN A 21 0.239 6.597 11.894 1.00 0.00 C ATOM 277 O ASN A 21 -0.018 7.798 11.831 1.00 0.00 O ATOM 278 CB ASN A 21 1.852 6.779 13.762 1.00 0.00 C ATOM 279 CG ASN A 21 2.581 6.016 14.872 1.00 0.00 C ATOM 280 OD1 ASN A 21 1.849 5.063 15.441 1.00 0.00 O flip ATOM 281 ND2 ASN A 21 3.730 6.276 15.188 1.00 0.00 N flip ATOM 0 H ASN A 21 2.056 4.437 12.827 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.133 5.974 13.946 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.548 7.005 12.954 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.491 7.732 14.148 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.234 7.022 14.709 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.186 5.748 15.932 1.00 0.00 H new ATOM 288 N LEU A 22 0.167 5.758 10.871 1.00 0.00 N ATOM 289 CA LEU A 22 -0.235 6.219 9.553 1.00 0.00 C ATOM 290 C LEU A 22 -0.374 5.016 8.618 1.00 0.00 C ATOM 291 O LEU A 22 -0.312 3.870 9.061 1.00 0.00 O ATOM 292 CB LEU A 22 0.731 7.288 9.041 1.00 0.00 C ATOM 293 CG LEU A 22 2.141 6.808 8.692 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.431 6.997 7.202 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.187 7.494 9.571 1.00 0.00 C ATOM 0 H LEU A 22 0.380 4.762 10.928 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.211 6.702 9.599 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.295 7.748 8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.812 8.069 9.798 1.00 0.00 H new ATOM 0 HG LEU A 22 2.199 5.739 8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.440 6.648 6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.712 6.425 6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.348 8.053 6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.180 7.135 9.302 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.138 8.572 9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.989 7.265 10.618 1.00 0.00 H new ATOM 307 N CYS A 23 -0.557 5.318 7.340 1.00 0.00 N ATOM 308 CA CYS A 23 -0.703 4.277 6.338 1.00 0.00 C ATOM 309 C CYS A 23 0.614 4.162 5.568 1.00 0.00 C ATOM 310 O CYS A 23 1.617 4.761 5.953 1.00 0.00 O ATOM 311 CB CYS A 23 -1.887 4.550 5.408 1.00 0.00 C ATOM 312 SG CYS A 23 -3.219 5.405 6.324 1.00 0.00 S ATOM 0 H CYS A 23 -0.607 6.270 6.976 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.920 3.327 6.826 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.564 5.161 4.565 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.261 3.612 4.997 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.178 4.565 6.580 1.00 0.00 H new ATOM 318 N TYR A 24 0.569 3.387 4.494 1.00 0.00 N ATOM 319 CA TYR A 24 1.746 3.185 3.666 1.00 0.00 C ATOM 320 C TYR A 24 1.379 2.504 2.347 1.00 0.00 C ATOM 321 O TYR A 24 0.271 1.991 2.197 1.00 0.00 O ATOM 322 CB TYR A 24 2.669 2.263 4.464 1.00 0.00 C ATOM 323 CG TYR A 24 2.263 0.787 4.421 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.755 -0.034 3.426 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.405 0.279 5.375 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.372 -1.422 3.385 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.022 -1.109 5.333 1.00 0.00 C ATOM 328 CZ TYR A 24 1.525 -1.891 4.340 1.00 0.00 C ATOM 329 OH TYR A 24 1.164 -3.201 4.301 1.00 0.00 O ATOM 0 H TYR A 24 -0.265 2.891 4.178 1.00 0.00 H new ATOM 0 HA TYR A 24 2.215 4.139 3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.684 2.361 4.080 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.687 2.594 5.502 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.426 0.364 2.679 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.021 0.922 6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.749 -2.076 2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.351 -1.519 6.073 1.00 0.00 H new ATOM 0 HH TYR A 24 0.556 -3.395 5.045 1.00 0.00 H new ATOM 339 N ARG A 25 2.330 2.520 1.424 1.00 0.00 N ATOM 340 CA ARG A 25 2.120 1.912 0.122 1.00 0.00 C ATOM 341 C ARG A 25 3.350 1.100 -0.288 1.00 0.00 C ATOM 342 O ARG A 25 4.335 1.660 -0.767 1.00 0.00 O ATOM 343 CB ARG A 25 1.838 2.972 -0.943 1.00 0.00 C ATOM 344 CG ARG A 25 1.047 4.142 -0.356 1.00 0.00 C ATOM 345 CD ARG A 25 1.189 5.393 -1.227 1.00 0.00 C ATOM 346 NE ARG A 25 -0.145 5.850 -1.678 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.361 6.550 -2.811 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.670 6.882 -3.619 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.593 6.907 -3.119 1.00 0.00 N ATOM 0 H ARG A 25 3.248 2.945 1.553 1.00 0.00 H new ATOM 0 HA ARG A 25 1.255 1.254 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.778 3.336 -1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.279 2.526 -1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.005 3.869 -0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.401 4.355 0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.682 6.185 -0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.819 5.176 -2.090 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.951 5.621 -1.096 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.620 6.603 -3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.498 7.411 -4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.366 6.654 -2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.772 7.437 -3.972 1.00 0.00 H new ATOM 363 N LYS A 26 3.253 -0.206 -0.085 1.00 0.00 N ATOM 364 CA LYS A 26 4.346 -1.099 -0.429 1.00 0.00 C ATOM 365 C LYS A 26 4.278 -1.434 -1.920 1.00 0.00 C ATOM 366 O LYS A 26 3.214 -1.345 -2.531 1.00 0.00 O ATOM 367 CB LYS A 26 4.337 -2.330 0.479 1.00 0.00 C ATOM 368 CG LYS A 26 5.612 -2.399 1.324 1.00 0.00 C ATOM 369 CD LYS A 26 5.523 -3.521 2.361 1.00 0.00 C ATOM 370 CE LYS A 26 5.223 -2.959 3.753 1.00 0.00 C ATOM 371 NZ LYS A 26 6.117 -3.570 4.762 1.00 0.00 N ATOM 0 H LYS A 26 2.435 -0.667 0.313 1.00 0.00 H new ATOM 0 HA LYS A 26 5.305 -0.610 -0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.465 -2.298 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.249 -3.232 -0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.473 -2.565 0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.771 -1.445 1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.743 -4.226 2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.461 -4.076 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.353 -1.877 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.183 -3.154 4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.900 -3.178 5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.973 -4.600 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.107 -3.362 4.520 1.00 0.00 H new ATOM 385 N MET A 27 5.425 -1.814 -2.463 1.00 0.00 N ATOM 386 CA MET A 27 5.507 -2.161 -3.870 1.00 0.00 C ATOM 387 C MET A 27 6.599 -3.206 -4.114 1.00 0.00 C ATOM 388 O MET A 27 7.583 -3.264 -3.377 1.00 0.00 O ATOM 389 CB MET A 27 5.810 -0.906 -4.691 1.00 0.00 C ATOM 390 CG MET A 27 4.585 -0.469 -5.498 1.00 0.00 C ATOM 391 SD MET A 27 4.677 1.278 -5.847 1.00 0.00 S ATOM 392 CE MET A 27 2.990 1.582 -6.348 1.00 0.00 C ATOM 0 H MET A 27 6.305 -1.889 -1.953 1.00 0.00 H new ATOM 0 HA MET A 27 4.550 -2.583 -4.176 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.119 -0.099 -4.027 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.644 -1.101 -5.366 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.533 -1.032 -6.430 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.674 -0.690 -4.941 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.680 2.568 -6.002 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.920 1.541 -7.435 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.339 0.823 -5.914 1.00 0.00 H new ATOM 402 N TRP A 28 6.389 -4.004 -5.150 1.00 0.00 N ATOM 403 CA TRP A 28 7.344 -5.043 -5.499 1.00 0.00 C ATOM 404 C TRP A 28 6.979 -5.573 -6.887 1.00 0.00 C ATOM 405 O TRP A 28 7.288 -4.942 -7.898 1.00 0.00 O ATOM 406 CB TRP A 28 7.377 -6.137 -4.433 1.00 0.00 C ATOM 407 CG TRP A 28 6.043 -6.348 -3.714 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.887 -6.783 -4.232 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.772 -6.114 -2.316 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.894 -6.847 -3.276 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.451 -6.426 -2.073 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.616 -5.653 -1.291 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.854 -6.312 -0.811 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.007 -5.545 -0.035 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.676 -5.855 0.226 1.00 0.00 C ATOM 0 H TRP A 28 5.572 -3.953 -5.759 1.00 0.00 H new ATOM 0 HA TRP A 28 8.356 -4.640 -5.534 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.679 -7.075 -4.899 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.140 -5.888 -3.695 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.749 -7.050 -5.269 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.930 -7.147 -3.424 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.653 -5.402 -1.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.816 -6.563 -0.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.613 -5.197 0.789 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.279 -5.744 1.224 1.00 0.00 H new ATOM 426 N CYS A 29 6.325 -6.725 -6.893 1.00 0.00 N ATOM 427 CA CYS A 29 5.916 -7.348 -8.140 1.00 0.00 C ATOM 428 C CYS A 29 5.093 -8.594 -7.807 1.00 0.00 C ATOM 429 O CYS A 29 5.587 -9.512 -7.154 1.00 0.00 O ATOM 430 CB CYS A 29 7.116 -7.676 -9.030 1.00 0.00 C ATOM 431 SG CYS A 29 7.073 -6.647 -10.544 1.00 0.00 S ATOM 0 H CYS A 29 6.068 -7.244 -6.053 1.00 0.00 H new ATOM 0 HA CYS A 29 5.303 -6.652 -8.713 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.043 -7.497 -8.485 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.102 -8.732 -9.298 1.00 0.00 H new ATOM 0 HG CYS A 29 7.332 -7.388 -11.580 1.00 0.00 H new ATOM 437 N ASP A 30 3.853 -8.588 -8.275 1.00 0.00 N ATOM 438 CA ASP A 30 2.958 -9.706 -8.035 1.00 0.00 C ATOM 439 C ASP A 30 3.672 -11.012 -8.387 1.00 0.00 C ATOM 440 O ASP A 30 4.818 -10.994 -8.838 1.00 0.00 O ATOM 441 CB ASP A 30 1.704 -9.604 -8.905 1.00 0.00 C ATOM 442 CG ASP A 30 0.590 -10.594 -8.553 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.499 -11.072 -7.413 1.00 0.00 O ATOM 444 OD2 ASP A 30 -0.216 -10.873 -9.520 1.00 0.00 O ATOM 0 H ASP A 30 3.448 -7.826 -8.819 1.00 0.00 H new ATOM 0 HA ASP A 30 2.671 -9.687 -6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.308 -8.592 -8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.989 -9.756 -9.946 1.00 0.00 H new ATOM 450 N ALA A 31 2.970 -12.113 -8.168 1.00 0.00 N ATOM 451 CA ALA A 31 3.524 -13.424 -8.458 1.00 0.00 C ATOM 452 C ALA A 31 3.590 -13.623 -9.973 1.00 0.00 C ATOM 453 O ALA A 31 4.056 -14.658 -10.447 1.00 0.00 O ATOM 454 CB ALA A 31 2.682 -14.499 -7.764 1.00 0.00 C ATOM 0 H ALA A 31 2.022 -12.124 -7.793 1.00 0.00 H new ATOM 0 HA ALA A 31 4.540 -13.505 -8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.097 -15.483 -7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.692 -14.330 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.656 -14.450 -8.129 1.00 0.00 H new ATOM 460 N PHE A 32 3.118 -12.615 -10.690 1.00 0.00 N ATOM 461 CA PHE A 32 3.117 -12.667 -12.143 1.00 0.00 C ATOM 462 C PHE A 32 3.993 -11.558 -12.730 1.00 0.00 C ATOM 463 O PHE A 32 4.318 -11.581 -13.917 1.00 0.00 O ATOM 464 CB PHE A 32 1.672 -12.455 -12.598 1.00 0.00 C ATOM 465 CG PHE A 32 0.758 -13.656 -12.346 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.600 -14.138 -11.084 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.104 -14.242 -13.385 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.249 -15.252 -10.851 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.743 -15.357 -13.151 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.903 -15.838 -11.889 1.00 0.00 C ATOM 0 H PHE A 32 2.734 -11.758 -10.293 1.00 0.00 H new ATOM 0 HA PHE A 32 3.513 -13.624 -12.482 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.263 -11.586 -12.083 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.667 -12.225 -13.663 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.120 -13.674 -10.259 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.229 -13.859 -14.387 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.375 -15.634 -9.849 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.261 -15.824 -13.976 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.549 -16.685 -11.711 1.00 0.00 H new ATOM 480 N CYS A 33 4.348 -10.611 -11.875 1.00 0.00 N ATOM 481 CA CYS A 33 5.178 -9.494 -12.293 1.00 0.00 C ATOM 482 C CYS A 33 4.785 -9.115 -13.722 1.00 0.00 C ATOM 483 O CYS A 33 5.608 -9.180 -14.636 1.00 0.00 O ATOM 484 CB CYS A 33 6.667 -9.824 -12.180 1.00 0.00 C ATOM 485 SG CYS A 33 7.644 -8.667 -13.209 1.00 0.00 S ATOM 0 H CYS A 33 4.075 -10.594 -10.892 1.00 0.00 H new ATOM 0 HA CYS A 33 5.010 -8.644 -11.632 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.985 -9.756 -11.140 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.846 -10.850 -12.502 1.00 0.00 H new ATOM 0 HG CYS A 33 7.236 -8.732 -14.442 1.00 0.00 H new ATOM 491 N SER A 34 3.527 -8.726 -13.872 1.00 0.00 N ATOM 492 CA SER A 34 3.014 -8.336 -15.176 1.00 0.00 C ATOM 493 C SER A 34 3.682 -7.036 -15.632 1.00 0.00 C ATOM 494 O SER A 34 4.463 -6.442 -14.890 1.00 0.00 O ATOM 495 CB SER A 34 1.495 -8.167 -15.142 1.00 0.00 C ATOM 496 OG SER A 34 0.830 -9.394 -14.849 1.00 0.00 O ATOM 0 H SER A 34 2.848 -8.672 -13.113 1.00 0.00 H new ATOM 0 HA SER A 34 3.248 -9.128 -15.887 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.229 -7.422 -14.392 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.150 -7.788 -16.104 1.00 0.00 H new ATOM 0 HG SER A 34 -0.139 -9.246 -14.834 1.00 0.00 H new ATOM 502 N SER A 35 3.349 -6.633 -16.850 1.00 0.00 N ATOM 503 CA SER A 35 3.906 -5.415 -17.413 1.00 0.00 C ATOM 504 C SER A 35 3.384 -4.198 -16.649 1.00 0.00 C ATOM 505 O SER A 35 3.833 -3.076 -16.880 1.00 0.00 O ATOM 506 CB SER A 35 3.570 -5.294 -18.901 1.00 0.00 C ATOM 507 OG SER A 35 3.909 -6.473 -19.624 1.00 0.00 O ATOM 0 H SER A 35 2.701 -7.128 -17.462 1.00 0.00 H new ATOM 0 HA SER A 35 4.991 -5.457 -17.315 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.505 -5.092 -19.017 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.104 -4.443 -19.325 1.00 0.00 H new ATOM 0 HG SER A 35 3.677 -6.355 -20.569 1.00 0.00 H new ATOM 513 N ARG A 36 2.442 -4.460 -15.754 1.00 0.00 N ATOM 514 CA ARG A 36 1.854 -3.399 -14.955 1.00 0.00 C ATOM 515 C ARG A 36 2.865 -2.883 -13.930 1.00 0.00 C ATOM 516 O ARG A 36 2.543 -2.018 -13.117 1.00 0.00 O ATOM 517 CB ARG A 36 0.603 -3.890 -14.224 1.00 0.00 C ATOM 518 CG ARG A 36 -0.329 -4.643 -15.176 1.00 0.00 C ATOM 519 CD ARG A 36 -0.955 -3.691 -16.198 1.00 0.00 C ATOM 520 NE ARG A 36 -2.305 -3.284 -15.750 1.00 0.00 N ATOM 521 CZ ARG A 36 -3.295 -2.898 -16.584 1.00 0.00 C ATOM 522 NH1 ARG A 36 -3.092 -2.864 -17.917 1.00 0.00 N ATOM 523 NH2 ARG A 36 -4.463 -2.556 -16.074 1.00 0.00 N ATOM 0 H ARG A 36 2.072 -5.392 -15.565 1.00 0.00 H new ATOM 0 HA ARG A 36 1.573 -2.592 -15.631 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.892 -4.543 -13.400 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.075 -3.041 -13.789 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.228 -5.423 -15.694 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.115 -5.138 -14.605 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.324 -2.811 -16.322 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.017 -4.179 -17.171 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.500 -3.296 -14.749 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.186 -3.131 -18.302 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.845 -2.571 -18.540 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.607 -2.586 -15.065 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.222 -2.262 -16.689 1.00 0.00 H new ATOM 537 N GLY A 37 4.067 -3.435 -14.003 1.00 0.00 N ATOM 538 CA GLY A 37 5.128 -3.042 -13.091 1.00 0.00 C ATOM 539 C GLY A 37 5.053 -3.837 -11.787 1.00 0.00 C ATOM 540 O GLY A 37 5.012 -5.067 -11.807 1.00 0.00 O ATOM 0 H GLY A 37 4.330 -4.151 -14.680 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.097 -3.203 -13.564 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.051 -1.976 -12.876 1.00 0.00 H new ATOM 544 N LYS A 38 5.039 -3.104 -10.684 1.00 0.00 N ATOM 545 CA LYS A 38 4.972 -3.726 -9.373 1.00 0.00 C ATOM 546 C LYS A 38 3.518 -3.742 -8.895 1.00 0.00 C ATOM 547 O LYS A 38 2.603 -3.460 -9.668 1.00 0.00 O ATOM 548 CB LYS A 38 5.930 -3.035 -8.400 1.00 0.00 C ATOM 549 CG LYS A 38 7.131 -2.445 -9.143 1.00 0.00 C ATOM 550 CD LYS A 38 7.655 -3.418 -10.200 1.00 0.00 C ATOM 551 CE LYS A 38 9.185 -3.418 -10.235 1.00 0.00 C ATOM 552 NZ LYS A 38 9.724 -4.442 -9.311 1.00 0.00 N ATOM 0 H LYS A 38 5.073 -2.085 -10.671 1.00 0.00 H new ATOM 0 HA LYS A 38 5.303 -4.763 -9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.404 -2.244 -7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.275 -3.750 -7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.844 -1.507 -9.618 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.924 -2.213 -8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.293 -4.423 -9.985 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.265 -3.141 -11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.532 -3.616 -11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.561 -2.434 -9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.496 -4.030 -8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.968 -4.768 -8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.086 -5.248 -9.859 1.00 0.00 H new ATOM 566 N VAL A 39 3.350 -4.074 -7.623 1.00 0.00 N ATOM 567 CA VAL A 39 2.023 -4.130 -7.035 1.00 0.00 C ATOM 568 C VAL A 39 1.810 -2.901 -6.150 1.00 0.00 C ATOM 569 O VAL A 39 2.540 -1.919 -6.260 1.00 0.00 O ATOM 570 CB VAL A 39 1.841 -5.449 -6.279 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.361 -5.827 -6.185 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.653 -6.570 -6.931 1.00 0.00 C ATOM 0 H VAL A 39 4.110 -4.307 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 39 1.260 -4.108 -7.813 1.00 0.00 H new ATOM 0 HB VAL A 39 2.216 -5.309 -5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.259 -6.768 -5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.182 -5.043 -5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.050 -5.940 -7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.506 -7.496 -6.375 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.321 -6.708 -7.960 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.710 -6.305 -6.923 1.00 0.00 H new ATOM 582 N VAL A 40 0.804 -2.996 -5.291 1.00 0.00 N ATOM 583 CA VAL A 40 0.485 -1.903 -4.389 1.00 0.00 C ATOM 584 C VAL A 40 -0.189 -2.462 -3.135 1.00 0.00 C ATOM 585 O VAL A 40 -1.407 -2.375 -2.989 1.00 0.00 O ATOM 586 CB VAL A 40 -0.369 -0.860 -5.111 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.230 0.515 -4.453 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.013 -0.793 -6.598 1.00 0.00 C ATOM 0 H VAL A 40 0.200 -3.813 -5.201 1.00 0.00 H new ATOM 0 HA VAL A 40 1.395 -1.394 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.412 -1.167 -5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.848 1.238 -4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.555 0.456 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.812 0.832 -4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.635 -0.044 -7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.037 -0.522 -6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.187 -1.766 -7.058 1.00 0.00 H new ATOM 598 N GLU A 41 0.632 -3.026 -2.261 1.00 0.00 N ATOM 599 CA GLU A 41 0.131 -3.602 -1.025 1.00 0.00 C ATOM 600 C GLU A 41 0.170 -2.563 0.098 1.00 0.00 C ATOM 601 O GLU A 41 0.962 -2.684 1.032 1.00 0.00 O ATOM 602 CB GLU A 41 0.922 -4.853 -0.641 1.00 0.00 C ATOM 603 CG GLU A 41 1.166 -5.743 -1.862 1.00 0.00 C ATOM 604 CD GLU A 41 0.836 -7.204 -1.551 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.985 -7.642 -0.400 1.00 0.00 O ATOM 606 OE2 GLU A 41 0.410 -7.892 -2.555 1.00 0.00 O ATOM 0 H GLU A 41 1.642 -3.096 -2.385 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.905 -3.902 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.876 -4.564 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.377 -5.413 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.555 -5.398 -2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.207 -5.660 -2.174 1.00 0.00 H new ATOM 614 N LEU A 42 -0.693 -1.565 -0.031 1.00 0.00 N ATOM 615 CA LEU A 42 -0.766 -0.506 0.960 1.00 0.00 C ATOM 616 C LEU A 42 -1.280 -1.084 2.280 1.00 0.00 C ATOM 617 O LEU A 42 -1.513 -2.287 2.387 1.00 0.00 O ATOM 618 CB LEU A 42 -1.601 0.663 0.435 1.00 0.00 C ATOM 619 CG LEU A 42 -1.550 0.897 -1.076 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.789 0.315 -1.763 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.363 2.382 -1.397 1.00 0.00 C ATOM 0 H LEU A 42 -1.347 -1.468 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 42 0.226 -0.097 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.640 0.500 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.271 1.573 0.935 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.682 0.370 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.728 0.495 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.838 -0.758 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.684 0.793 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.330 2.519 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.196 2.951 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.430 2.734 -0.958 1.00 0.00 H new ATOM 633 N GLY A 43 -1.443 -0.200 3.253 1.00 0.00 N ATOM 634 CA GLY A 43 -1.924 -0.607 4.563 1.00 0.00 C ATOM 635 C GLY A 43 -1.530 0.411 5.634 1.00 0.00 C ATOM 636 O GLY A 43 -1.456 1.609 5.360 1.00 0.00 O ATOM 0 H GLY A 43 -1.250 0.797 3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.009 -0.713 4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.514 -1.584 4.817 1.00 0.00 H new ATOM 640 N CYS A 44 -1.286 -0.100 6.831 1.00 0.00 N ATOM 641 CA CYS A 44 -0.901 0.750 7.944 1.00 0.00 C ATOM 642 C CYS A 44 0.550 0.434 8.310 1.00 0.00 C ATOM 643 O CYS A 44 1.040 -0.661 8.036 1.00 0.00 O ATOM 644 CB CYS A 44 -1.840 0.577 9.139 1.00 0.00 C ATOM 645 SG CYS A 44 -3.574 0.477 8.563 1.00 0.00 S ATOM 0 H CYS A 44 -1.348 -1.093 7.055 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.982 1.796 7.650 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.578 -0.327 9.690 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.724 1.414 9.827 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.989 1.662 8.227 1.00 0.00 H new ATOM 651 N ALA A 45 1.201 1.414 8.922 1.00 0.00 N ATOM 652 CA ALA A 45 2.586 1.254 9.328 1.00 0.00 C ATOM 653 C ALA A 45 2.977 2.406 10.256 1.00 0.00 C ATOM 654 O ALA A 45 2.507 3.530 10.089 1.00 0.00 O ATOM 655 CB ALA A 45 3.476 1.180 8.085 1.00 0.00 C ATOM 0 H ALA A 45 0.793 2.322 9.146 1.00 0.00 H new ATOM 0 HA ALA A 45 2.719 0.325 9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.516 1.060 8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.176 0.329 7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.371 2.098 7.507 1.00 0.00 H new ATOM 661 N ALA A 46 3.831 2.085 11.217 1.00 0.00 N ATOM 662 CA ALA A 46 4.290 3.078 12.173 1.00 0.00 C ATOM 663 C ALA A 46 4.846 4.287 11.419 1.00 0.00 C ATOM 664 O ALA A 46 4.517 5.429 11.741 1.00 0.00 O ATOM 665 CB ALA A 46 5.324 2.447 13.108 1.00 0.00 C ATOM 0 H ALA A 46 4.217 1.151 11.354 1.00 0.00 H new ATOM 0 HA ALA A 46 3.463 3.427 12.791 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.668 3.192 13.825 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.870 1.612 13.642 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.171 2.087 12.524 1.00 0.00 H new ATOM 671 N THR A 47 5.678 3.997 10.430 1.00 0.00 N ATOM 672 CA THR A 47 6.284 5.046 9.628 1.00 0.00 C ATOM 673 C THR A 47 6.791 4.478 8.301 1.00 0.00 C ATOM 674 O THR A 47 6.963 3.267 8.165 1.00 0.00 O ATOM 675 CB THR A 47 7.379 5.708 10.464 1.00 0.00 C ATOM 676 OG1 THR A 47 8.162 4.615 10.938 1.00 0.00 O ATOM 677 CG2 THR A 47 6.834 6.356 11.739 1.00 0.00 C ATOM 0 H THR A 47 5.947 3.049 10.165 1.00 0.00 H new ATOM 0 HA THR A 47 5.554 5.810 9.360 1.00 0.00 H new ATOM 0 HB THR A 47 7.887 6.462 9.863 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.898 4.954 11.489 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.654 6.811 12.295 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.105 7.122 11.475 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.354 5.597 12.357 1.00 0.00 H new ATOM 685 N CYS A 48 7.015 5.378 7.356 1.00 0.00 N ATOM 686 CA CYS A 48 7.500 4.981 6.044 1.00 0.00 C ATOM 687 C CYS A 48 8.431 3.781 6.219 1.00 0.00 C ATOM 688 O CYS A 48 9.609 3.946 6.535 1.00 0.00 O ATOM 689 CB CYS A 48 8.189 6.141 5.322 1.00 0.00 C ATOM 690 SG CYS A 48 7.768 7.725 6.135 1.00 0.00 S ATOM 0 H CYS A 48 6.870 6.381 7.472 1.00 0.00 H new ATOM 0 HA CYS A 48 6.659 4.696 5.412 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.269 5.995 5.330 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.879 6.165 4.277 1.00 0.00 H new ATOM 0 HG CYS A 48 6.504 7.734 6.439 1.00 0.00 H new ATOM 696 N PRO A 49 7.855 2.569 5.999 1.00 0.00 N ATOM 697 CA PRO A 49 8.621 1.342 6.130 1.00 0.00 C ATOM 698 C PRO A 49 9.558 1.151 4.935 1.00 0.00 C ATOM 699 O PRO A 49 10.349 0.210 4.905 1.00 0.00 O ATOM 700 CB PRO A 49 7.581 0.240 6.251 1.00 0.00 C ATOM 701 CG PRO A 49 6.285 0.830 5.720 1.00 0.00 C ATOM 702 CD PRO A 49 6.464 2.336 5.623 1.00 0.00 C ATOM 0 HA PRO A 49 9.279 1.347 6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.874 -0.639 5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.469 -0.079 7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.047 0.410 4.743 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.455 0.586 6.383 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.261 2.695 4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.780 2.860 6.291 1.00 0.00 H new ATOM 710 N SER A 50 9.437 2.059 3.978 1.00 0.00 N ATOM 711 CA SER A 50 10.263 2.003 2.785 1.00 0.00 C ATOM 712 C SER A 50 11.565 1.256 3.083 1.00 0.00 C ATOM 713 O SER A 50 12.156 1.433 4.145 1.00 0.00 O ATOM 714 CB SER A 50 10.566 3.407 2.257 1.00 0.00 C ATOM 715 OG SER A 50 10.157 3.569 0.901 1.00 0.00 O ATOM 0 H SER A 50 8.779 2.838 4.005 1.00 0.00 H new ATOM 0 HA SER A 50 9.712 1.465 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.059 4.145 2.879 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.635 3.602 2.339 1.00 0.00 H new ATOM 0 HG SER A 50 9.235 3.253 0.797 1.00 0.00 H new ATOM 721 N LYS A 51 11.972 0.437 2.125 1.00 0.00 N ATOM 722 CA LYS A 51 13.191 -0.338 2.272 1.00 0.00 C ATOM 723 C LYS A 51 14.355 0.424 1.634 1.00 0.00 C ATOM 724 O LYS A 51 14.726 1.500 2.100 1.00 0.00 O ATOM 725 CB LYS A 51 13.001 -1.750 1.711 1.00 0.00 C ATOM 726 CG LYS A 51 12.425 -2.688 2.773 1.00 0.00 C ATOM 727 CD LYS A 51 13.539 -3.309 3.617 1.00 0.00 C ATOM 728 CE LYS A 51 14.165 -2.271 4.550 1.00 0.00 C ATOM 729 NZ LYS A 51 13.130 -1.662 5.415 1.00 0.00 N ATOM 0 H LYS A 51 11.479 0.293 1.244 1.00 0.00 H new ATOM 0 HA LYS A 51 13.433 -0.469 3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.334 -1.716 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.957 -2.137 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.740 -2.137 3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.846 -3.476 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.138 -4.135 4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.306 -3.725 2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.931 -2.742 5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.659 -1.497 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.404 -1.769 6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.038 -0.651 5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.219 -2.137 5.254 1.00 0.00 H new ATOM 743 N LYS A 52 14.899 -0.163 0.579 1.00 0.00 N ATOM 744 CA LYS A 52 16.013 0.447 -0.127 1.00 0.00 C ATOM 745 C LYS A 52 16.046 -0.073 -1.565 1.00 0.00 C ATOM 746 O LYS A 52 16.079 0.711 -2.512 1.00 0.00 O ATOM 747 CB LYS A 52 17.318 0.224 0.639 1.00 0.00 C ATOM 748 CG LYS A 52 17.207 0.740 2.075 1.00 0.00 C ATOM 749 CD LYS A 52 16.859 -0.395 3.039 1.00 0.00 C ATOM 750 CE LYS A 52 16.717 0.126 4.471 1.00 0.00 C ATOM 751 NZ LYS A 52 18.040 0.207 5.128 1.00 0.00 N ATOM 0 H LYS A 52 14.589 -1.056 0.195 1.00 0.00 H new ATOM 0 HA LYS A 52 15.884 1.528 -0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.561 -0.839 0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.135 0.733 0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.149 1.200 2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.443 1.515 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.929 -0.870 2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.635 -1.160 3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.249 1.110 4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.062 -0.533 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.924 0.562 6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.473 -0.738 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.654 0.854 4.593 1.00 0.00 H new ATOM 765 N PRO A 53 16.038 -1.428 -1.687 1.00 0.00 N ATOM 766 CA PRO A 53 16.066 -2.062 -2.994 1.00 0.00 C ATOM 767 C PRO A 53 14.705 -1.955 -3.686 1.00 0.00 C ATOM 768 O PRO A 53 14.323 -0.883 -4.148 1.00 0.00 O ATOM 769 CB PRO A 53 16.486 -3.498 -2.725 1.00 0.00 C ATOM 770 CG PRO A 53 16.226 -3.738 -1.247 1.00 0.00 C ATOM 771 CD PRO A 53 15.999 -2.387 -0.588 1.00 0.00 C ATOM 0 HA PRO A 53 16.761 -1.580 -3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.915 -4.194 -3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.538 -3.649 -2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.355 -4.380 -1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.073 -4.249 -0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.041 -2.356 -0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.770 -2.173 0.152 1.00 0.00 H new ATOM 779 N TYR A 54 14.012 -3.085 -3.735 1.00 0.00 N ATOM 780 CA TYR A 54 12.703 -3.131 -4.361 1.00 0.00 C ATOM 781 C TYR A 54 11.615 -2.661 -3.396 1.00 0.00 C ATOM 782 O TYR A 54 10.835 -1.767 -3.721 1.00 0.00 O ATOM 783 CB TYR A 54 12.457 -4.600 -4.712 1.00 0.00 C ATOM 784 CG TYR A 54 12.989 -5.587 -3.671 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.340 -5.863 -3.609 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.119 -6.200 -2.792 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.842 -6.790 -2.629 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.621 -7.127 -1.812 1.00 0.00 C ATOM 789 CZ TYR A 54 13.958 -7.377 -1.778 1.00 0.00 C ATOM 790 OH TYR A 54 14.430 -8.254 -0.852 1.00 0.00 O ATOM 0 H TYR A 54 14.333 -3.974 -3.351 1.00 0.00 H new ATOM 0 HA TYR A 54 12.673 -2.480 -5.235 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.386 -4.759 -4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.923 -4.816 -5.674 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.021 -5.383 -4.296 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.062 -5.984 -2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.897 -7.014 -2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.951 -7.614 -1.119 1.00 0.00 H new ATOM 0 HH TYR A 54 13.685 -8.593 -0.313 1.00 0.00 H new ATOM 800 N GLU A 55 11.596 -3.283 -2.226 1.00 0.00 N ATOM 801 CA GLU A 55 10.616 -2.938 -1.210 1.00 0.00 C ATOM 802 C GLU A 55 10.340 -1.434 -1.229 1.00 0.00 C ATOM 803 O GLU A 55 10.764 -0.710 -0.329 1.00 0.00 O ATOM 804 CB GLU A 55 11.079 -3.394 0.175 1.00 0.00 C ATOM 805 CG GLU A 55 10.631 -4.829 0.458 1.00 0.00 C ATOM 806 CD GLU A 55 10.883 -5.204 1.920 1.00 0.00 C ATOM 807 OE1 GLU A 55 11.888 -5.861 2.229 1.00 0.00 O ATOM 808 OE2 GLU A 55 9.987 -4.787 2.751 1.00 0.00 O ATOM 0 H GLU A 55 12.244 -4.024 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 55 9.687 -3.461 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.165 -3.329 0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.675 -2.726 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.570 -4.934 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.168 -5.517 -0.195 1.00 0.00 H new ATOM 816 N GLU A 56 9.627 -1.008 -2.261 1.00 0.00 N ATOM 817 CA GLU A 56 9.289 0.398 -2.408 1.00 0.00 C ATOM 818 C GLU A 56 8.001 0.716 -1.647 1.00 0.00 C ATOM 819 O GLU A 56 6.907 0.604 -2.197 1.00 0.00 O ATOM 820 CB GLU A 56 9.161 0.779 -3.884 1.00 0.00 C ATOM 821 CG GLU A 56 10.080 1.954 -4.228 1.00 0.00 C ATOM 822 CD GLU A 56 9.411 2.897 -5.230 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.174 2.966 -5.287 1.00 0.00 O ATOM 824 OE2 GLU A 56 10.224 3.578 -5.965 1.00 0.00 O ATOM 0 H GLU A 56 9.274 -1.611 -3.004 1.00 0.00 H new ATOM 0 HA GLU A 56 10.097 0.993 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.412 -0.079 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.127 1.044 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.332 2.502 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.015 1.579 -4.644 1.00 0.00 H new ATOM 832 N VAL A 57 8.174 1.106 -0.393 1.00 0.00 N ATOM 833 CA VAL A 57 7.040 1.440 0.450 1.00 0.00 C ATOM 834 C VAL A 57 6.857 2.959 0.473 1.00 0.00 C ATOM 835 O VAL A 57 7.796 3.705 0.199 1.00 0.00 O ATOM 836 CB VAL A 57 7.228 0.841 1.845 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.890 0.726 2.579 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.929 -0.517 1.767 1.00 0.00 C ATOM 0 H VAL A 57 9.083 1.198 0.060 1.00 0.00 H new ATOM 0 HA VAL A 57 6.125 1.007 0.046 1.00 0.00 H new ATOM 0 HB VAL A 57 7.865 1.516 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.053 0.297 3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.445 1.716 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.218 0.083 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.051 -0.922 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.328 -1.203 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.908 -0.395 1.304 1.00 0.00 H new ATOM 848 N THR A 58 5.642 3.373 0.801 1.00 0.00 N ATOM 849 CA THR A 58 5.323 4.789 0.863 1.00 0.00 C ATOM 850 C THR A 58 4.691 5.135 2.212 1.00 0.00 C ATOM 851 O THR A 58 5.037 4.546 3.234 1.00 0.00 O ATOM 852 CB THR A 58 4.429 5.125 -0.332 1.00 0.00 C ATOM 853 OG1 THR A 58 4.894 4.262 -1.366 1.00 0.00 O ATOM 854 CG2 THR A 58 4.684 6.531 -0.878 1.00 0.00 C ATOM 0 H THR A 58 4.866 2.751 1.027 1.00 0.00 H new ATOM 0 HA THR A 58 6.223 5.401 0.796 1.00 0.00 H new ATOM 0 HB THR A 58 3.383 5.034 -0.039 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.617 3.342 -1.173 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.023 6.718 -1.725 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.489 7.266 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.721 6.613 -1.202 1.00 0.00 H new ATOM 862 N CYS A 59 3.773 6.091 2.171 1.00 0.00 N ATOM 863 CA CYS A 59 3.090 6.523 3.378 1.00 0.00 C ATOM 864 C CYS A 59 1.714 7.065 2.983 1.00 0.00 C ATOM 865 O CYS A 59 1.422 7.223 1.797 1.00 0.00 O ATOM 866 CB CYS A 59 3.908 7.558 4.153 1.00 0.00 C ATOM 867 SG CYS A 59 5.150 6.715 5.200 1.00 0.00 S ATOM 0 H CYS A 59 3.487 6.578 1.321 1.00 0.00 H new ATOM 0 HA CYS A 59 2.967 5.675 4.052 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.405 8.235 3.459 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.248 8.165 4.773 1.00 0.00 H new ATOM 0 HG CYS A 59 6.312 7.271 5.027 1.00 0.00 H new ATOM 873 N CYS A 60 0.905 7.335 3.996 1.00 0.00 N ATOM 874 CA CYS A 60 -0.432 7.856 3.770 1.00 0.00 C ATOM 875 C CYS A 60 -1.105 8.060 5.128 1.00 0.00 C ATOM 876 O CYS A 60 -1.347 7.099 5.856 1.00 0.00 O ATOM 877 CB CYS A 60 -1.249 6.936 2.860 1.00 0.00 C ATOM 878 SG CYS A 60 -2.918 6.678 3.568 1.00 0.00 S ATOM 0 H CYS A 60 1.150 7.202 4.977 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.370 8.812 3.251 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.331 7.374 1.865 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.741 5.978 2.746 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.818 6.449 4.844 1.00 0.00 H new ATOM 884 N SER A 61 -1.386 9.320 5.430 1.00 0.00 N ATOM 885 CA SER A 61 -2.025 9.663 6.688 1.00 0.00 C ATOM 886 C SER A 61 -3.459 10.136 6.435 1.00 0.00 C ATOM 887 O SER A 61 -4.351 9.884 7.244 1.00 0.00 O ATOM 888 CB SER A 61 -1.234 10.741 7.432 1.00 0.00 C ATOM 889 OG SER A 61 -1.481 12.042 6.906 1.00 0.00 O ATOM 0 H SER A 61 -1.182 10.115 4.824 1.00 0.00 H new ATOM 0 HA SER A 61 -2.048 8.771 7.314 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.499 10.721 8.489 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.169 10.519 7.366 1.00 0.00 H new ATOM 0 HG SER A 61 -0.959 12.702 7.408 1.00 0.00 H new ATOM 895 N THR A 62 -3.634 10.813 5.310 1.00 0.00 N ATOM 896 CA THR A 62 -4.943 11.324 4.941 1.00 0.00 C ATOM 897 C THR A 62 -6.001 10.226 5.070 1.00 0.00 C ATOM 898 O THR A 62 -5.665 9.048 5.177 1.00 0.00 O ATOM 899 CB THR A 62 -4.842 11.908 3.531 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.479 11.705 3.166 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.009 13.430 3.513 1.00 0.00 C ATOM 0 H THR A 62 -2.891 11.020 4.642 1.00 0.00 H new ATOM 0 HA THR A 62 -5.262 12.119 5.616 1.00 0.00 H new ATOM 0 HB THR A 62 -5.601 11.452 2.895 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.283 10.745 3.154 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.929 13.793 2.488 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.987 13.694 3.916 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.230 13.889 4.122 1.00 0.00 H new ATOM 909 N ASP A 63 -7.256 10.651 5.053 1.00 0.00 N ATOM 910 CA ASP A 63 -8.363 9.718 5.168 1.00 0.00 C ATOM 911 C ASP A 63 -8.472 8.904 3.878 1.00 0.00 C ATOM 912 O ASP A 63 -8.961 9.402 2.863 1.00 0.00 O ATOM 913 CB ASP A 63 -9.686 10.458 5.374 1.00 0.00 C ATOM 914 CG ASP A 63 -10.105 10.638 6.835 1.00 0.00 C ATOM 915 OD1 ASP A 63 -9.544 11.475 7.561 1.00 0.00 O ATOM 916 OD2 ASP A 63 -11.062 9.869 7.227 1.00 0.00 O ATOM 0 H ASP A 63 -7.530 11.629 4.961 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.174 9.072 6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.611 11.441 4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.473 9.917 4.850 1.00 0.00 H new ATOM 922 N LYS A 64 -8.011 7.665 3.956 1.00 0.00 N ATOM 923 CA LYS A 64 -8.050 6.777 2.806 1.00 0.00 C ATOM 924 C LYS A 64 -7.126 7.321 1.716 1.00 0.00 C ATOM 925 O LYS A 64 -7.536 7.462 0.563 1.00 0.00 O ATOM 926 CB LYS A 64 -9.492 6.565 2.343 1.00 0.00 C ATOM 927 CG LYS A 64 -10.338 5.935 3.451 1.00 0.00 C ATOM 928 CD LYS A 64 -11.817 5.902 3.062 1.00 0.00 C ATOM 929 CE LYS A 64 -12.567 4.823 3.844 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.950 5.261 4.139 1.00 0.00 N ATOM 0 H LYS A 64 -7.608 7.254 4.798 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.678 5.788 3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.927 7.520 2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.504 5.923 1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.988 4.922 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.214 6.501 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.269 6.875 3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.911 5.712 1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.588 3.897 3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.041 4.609 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.444 4.516 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.925 6.132 4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.454 5.443 3.248 1.00 0.00 H new ATOM 944 N CYS A 65 -5.897 7.612 2.115 1.00 0.00 N ATOM 945 CA CYS A 65 -4.913 8.138 1.185 1.00 0.00 C ATOM 946 C CYS A 65 -4.006 6.987 0.743 1.00 0.00 C ATOM 947 O CYS A 65 -2.849 7.205 0.388 1.00 0.00 O ATOM 948 CB CYS A 65 -4.115 9.290 1.798 1.00 0.00 C ATOM 949 SG CYS A 65 -3.762 8.939 3.560 1.00 0.00 S ATOM 0 H CYS A 65 -5.560 7.493 3.070 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.419 8.556 0.314 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.182 9.428 1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.677 10.220 1.709 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.000 7.686 3.809 1.00 0.00 H new ATOM 955 N ASN A 66 -4.567 5.787 0.779 1.00 0.00 N ATOM 956 CA ASN A 66 -3.824 4.601 0.387 1.00 0.00 C ATOM 957 C ASN A 66 -4.368 4.081 -0.944 1.00 0.00 C ATOM 958 O ASN A 66 -4.016 2.985 -1.378 1.00 0.00 O ATOM 959 CB ASN A 66 -3.973 3.490 1.427 1.00 0.00 C ATOM 960 CG ASN A 66 -2.621 3.133 2.047 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.393 2.028 2.510 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.739 4.128 2.030 1.00 0.00 N ATOM 0 H ASN A 66 -5.527 5.610 1.074 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.772 4.874 0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.662 3.809 2.209 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.408 2.606 0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.807 3.990 2.420 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.995 5.029 1.627 1.00 0.00 H new ATOM 969 N PRO A 67 -5.243 4.912 -1.573 1.00 0.00 N ATOM 970 CA PRO A 67 -5.838 4.546 -2.846 1.00 0.00 C ATOM 971 C PRO A 67 -4.828 4.690 -3.986 1.00 0.00 C ATOM 972 O PRO A 67 -4.965 5.569 -4.836 1.00 0.00 O ATOM 973 CB PRO A 67 -7.039 5.468 -2.997 1.00 0.00 C ATOM 974 CG PRO A 67 -6.803 6.620 -2.035 1.00 0.00 C ATOM 975 CD PRO A 67 -5.682 6.218 -1.090 1.00 0.00 C ATOM 0 HA PRO A 67 -6.146 3.501 -2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.129 5.827 -4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.965 4.945 -2.760 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.535 7.524 -2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.712 6.842 -1.476 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.868 6.942 -1.110 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.033 6.162 -0.060 1.00 0.00 H new ATOM 983 N HIS A 68 -3.837 3.811 -3.969 1.00 0.00 N ATOM 984 CA HIS A 68 -2.803 3.830 -4.991 1.00 0.00 C ATOM 985 C HIS A 68 -3.429 4.159 -6.348 1.00 0.00 C ATOM 986 O HIS A 68 -4.628 3.970 -6.544 1.00 0.00 O ATOM 987 CB HIS A 68 -2.027 2.511 -5.000 1.00 0.00 C ATOM 988 CG HIS A 68 -2.900 1.285 -5.108 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.741 0.336 -6.104 1.00 0.00 N ATOM 990 CD2 HIS A 68 -3.939 0.860 -4.335 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.650 -0.612 -5.928 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.393 -0.284 -4.832 1.00 0.00 N ATOM 0 H HIS A 68 -3.728 3.081 -3.265 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.077 4.611 -4.766 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.326 2.520 -5.835 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.435 2.444 -4.087 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.043 0.362 -6.847 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.327 1.368 -3.465 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.780 -1.490 -6.544 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.566 4.657 -7.271 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.022 5.014 -8.605 1.00 0.00 C ATOM 1003 C PRO A 69 -3.264 3.766 -9.455 1.00 0.00 C ATOM 1004 O PRO A 69 -2.317 3.137 -9.926 1.00 0.00 O ATOM 1005 CB PRO A 69 -1.930 5.912 -9.166 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.697 5.651 -8.317 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.139 4.895 -7.074 1.00 0.00 C ATOM 0 HA PRO A 69 -3.981 5.532 -8.597 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.737 5.684 -10.214 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.223 6.961 -9.116 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.036 5.070 -8.877 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.217 6.590 -8.042 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.593 3.958 -6.966 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.956 5.477 -6.171 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.537 3.443 -9.626 1.00 0.00 N ATOM 1016 CA LYS A 70 -4.917 2.281 -10.410 1.00 0.00 C ATOM 1017 C LYS A 70 -6.375 2.420 -10.849 1.00 0.00 C ATOM 1018 O LYS A 70 -6.727 2.061 -11.972 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.628 0.993 -9.634 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.783 1.281 -8.391 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.536 2.184 -7.412 1.00 0.00 C ATOM 1022 CE LYS A 70 -6.028 1.845 -7.389 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.795 2.926 -6.731 1.00 0.00 N ATOM 0 H LYS A 70 -5.320 3.967 -9.234 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.316 2.221 -11.317 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.566 0.523 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.105 0.286 -10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.522 0.344 -7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.848 1.758 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.118 2.070 -6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.401 3.227 -7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.390 1.702 -8.407 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.185 0.905 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.646 2.527 -6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.204 3.378 -6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.075 3.634 -7.440 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.187 2.943 -9.941 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.599 3.135 -10.220 1.00 0.00 C ATOM 1039 C GLN A 71 -8.783 4.118 -11.379 1.00 0.00 C ATOM 1040 O GLN A 71 -9.386 5.176 -11.209 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.345 3.610 -8.973 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.683 2.437 -8.053 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.322 2.924 -6.752 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -9.504 2.895 -5.704 1.00 0.00 O flip ATOM 1045 NE2 GLN A 71 -11.481 3.302 -6.702 1.00 0.00 N flip ATOM 0 H GLN A 71 -6.892 3.240 -9.011 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.025 2.175 -10.513 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.734 4.334 -8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.262 4.122 -9.267 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.364 1.755 -8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.777 1.874 -7.828 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.055 3.299 -7.545 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.876 3.621 -5.817 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.250 3.734 -12.529 1.00 0.00 N ATOM 1055 CA ARG A 72 -8.346 4.569 -13.715 1.00 0.00 C ATOM 1056 C ARG A 72 -9.525 4.122 -14.582 1.00 0.00 C ATOM 1057 O ARG A 72 -10.403 4.922 -14.903 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.060 4.504 -14.540 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.373 4.425 -16.037 1.00 0.00 C ATOM 1060 CD ARG A 72 -6.116 4.676 -16.872 1.00 0.00 C ATOM 1061 NE ARG A 72 -6.210 3.951 -18.158 1.00 0.00 N ATOM 1062 CZ ARG A 72 -5.290 4.033 -19.143 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -4.197 4.811 -18.997 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -5.477 3.341 -20.252 1.00 0.00 N ATOM 0 H ARG A 72 -7.750 2.856 -12.665 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.500 5.597 -13.387 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.449 5.384 -14.338 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.475 3.634 -14.241 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.783 3.444 -16.276 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.137 5.160 -16.292 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.998 5.744 -17.055 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.233 4.347 -16.323 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.021 3.351 -18.310 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.061 5.343 -18.137 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.507 4.867 -19.746 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.306 2.756 -20.354 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.792 3.391 -21.006 1.00 0.00 H new ATOM 1078 N PRO A 73 -9.505 2.812 -14.949 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.562 2.250 -15.773 1.00 0.00 C ATOM 1080 C PRO A 73 -11.841 2.040 -14.960 1.00 0.00 C ATOM 1081 O PRO A 73 -11.782 1.811 -13.753 1.00 0.00 O ATOM 1082 CB PRO A 73 -9.987 0.954 -16.319 1.00 0.00 C ATOM 1083 CG PRO A 73 -8.814 0.606 -15.418 1.00 0.00 C ATOM 1084 CD PRO A 73 -8.483 1.835 -14.587 1.00 0.00 C ATOM 0 HA PRO A 73 -10.859 2.913 -16.585 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.735 0.161 -16.310 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.663 1.075 -17.353 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.065 -0.235 -14.772 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.952 0.304 -16.013 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.509 1.611 -13.521 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.483 2.207 -14.810 1.00 0.00 H new ATOM 1092 N GLY A 74 -12.967 2.126 -15.654 1.00 0.00 N ATOM 1093 CA GLY A 74 -14.257 1.949 -15.011 1.00 0.00 C ATOM 1094 C GLY A 74 -14.369 0.560 -14.379 1.00 0.00 C ATOM 1095 O GLY A 74 -15.376 0.239 -13.750 1.00 0.00 O ATOM 0 H GLY A 74 -13.012 2.316 -16.655 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.394 2.713 -14.245 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.054 2.085 -15.742 1.00 0.00 H new ATOM 1100 N HIS B 1 -7.138 -9.926 -11.222 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.325 -9.967 -9.782 1.00 0.00 C ATOM 1102 C HIS B 1 -6.038 -9.523 -9.084 1.00 0.00 C ATOM 1103 O HIS B 1 -5.168 -10.344 -8.797 1.00 0.00 O ATOM 1104 CB HIS B 1 -7.796 -11.352 -9.334 1.00 0.00 C ATOM 1105 CG HIS B 1 -9.051 -11.827 -10.024 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -9.093 -12.145 -11.371 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -10.309 -12.036 -9.540 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -10.325 -12.526 -11.673 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -11.078 -12.457 -10.538 1.00 0.00 N ATOM 0 H1 HIS B 1 -8.065 -9.943 -11.693 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.633 -9.055 -11.482 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.582 -10.751 -11.523 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.112 -9.270 -9.494 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -6.999 -12.072 -9.517 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -7.970 -11.335 -8.258 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -10.626 -11.885 -8.519 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -10.672 -12.837 -12.647 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -12.068 -12.690 -10.467 1.00 0.00 H new ATOM 1118 N ARG B 2 -5.957 -8.225 -8.832 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.790 -7.661 -8.174 1.00 0.00 C ATOM 1120 C ARG B 2 -4.934 -6.144 -8.045 1.00 0.00 C ATOM 1121 O ARG B 2 -5.793 -5.541 -8.688 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.511 -7.982 -8.951 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.711 -9.088 -8.259 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.459 -8.520 -7.589 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.022 -9.414 -6.493 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.775 -9.710 -5.412 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.012 -9.184 -5.274 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.285 -10.521 -4.494 1.00 0.00 N ATOM 0 H ARG B 2 -6.681 -7.547 -9.072 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.721 -8.107 -7.182 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.765 -8.292 -9.965 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -2.898 -7.084 -9.037 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.335 -9.581 -7.514 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.426 -9.846 -8.988 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.660 -8.413 -8.323 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.666 -7.524 -7.197 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.094 -9.833 -6.559 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.383 -8.559 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.575 -9.412 -4.455 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.351 -10.914 -4.607 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.841 -10.755 -3.671 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.082 -5.570 -7.210 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.103 -4.134 -6.988 1.00 0.00 C ATOM 1144 C TYR B 3 -2.805 -3.484 -7.473 1.00 0.00 C ATOM 1145 O TYR B 3 -2.182 -2.712 -6.743 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.222 -3.942 -5.474 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.487 -5.237 -4.703 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.438 -6.065 -4.361 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.777 -5.577 -4.349 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.687 -7.282 -3.634 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -6.027 -6.794 -3.623 1.00 0.00 C ATOM 1152 CZ TYR B 3 -4.970 -7.587 -3.301 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.206 -8.736 -2.615 1.00 0.00 O ATOM 0 H TYR B 3 -3.372 -6.073 -6.678 1.00 0.00 H new ATOM 0 HA TYR B 3 -4.927 -3.674 -7.533 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.302 -3.491 -5.102 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.028 -3.238 -5.269 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.429 -5.800 -4.639 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.599 -4.930 -4.617 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.874 -7.938 -3.359 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.032 -7.072 -3.340 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.713 -8.533 -1.801 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.434 -3.821 -8.699 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.221 -3.281 -9.289 1.00 0.00 C ATOM 1165 C TYR B 4 -1.268 -1.752 -9.335 1.00 0.00 C ATOM 1166 O TYR B 4 -2.097 -1.132 -8.670 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.171 -3.821 -10.720 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.209 -4.995 -10.908 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.645 -6.286 -10.684 1.00 0.00 C ATOM 1170 CD2 TYR B 4 1.092 -4.766 -11.302 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.261 -7.391 -10.860 1.00 0.00 C ATOM 1172 CE2 TYR B 4 1.997 -5.871 -11.480 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.536 -7.130 -11.249 1.00 0.00 C ATOM 1174 OH TYR B 4 2.391 -8.174 -11.417 1.00 0.00 O ATOM 0 H TYR B 4 -2.952 -4.462 -9.300 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.348 -3.569 -8.703 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.173 -4.134 -11.014 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -0.879 -3.014 -11.392 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.665 -6.467 -10.377 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.433 -3.756 -11.477 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -0.066 -8.406 -10.686 1.00 0.00 H new ATOM 0 HE2 TYR B 4 3.018 -5.705 -11.790 1.00 0.00 H new ATOM 0 HH TYR B 4 3.113 -8.115 -10.757 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.368 -1.187 -10.127 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.295 0.257 -10.268 1.00 0.00 C ATOM 1186 C GLU B 5 -0.822 0.683 -11.641 1.00 0.00 C ATOM 1187 O GLU B 5 -0.274 1.591 -12.265 1.00 0.00 O ATOM 1188 CB GLU B 5 1.133 0.759 -10.049 1.00 0.00 C ATOM 1189 CG GLU B 5 2.002 0.497 -11.280 1.00 0.00 C ATOM 1190 CD GLU B 5 2.878 1.710 -11.600 1.00 0.00 C ATOM 1191 OE1 GLU B 5 3.923 1.906 -10.963 1.00 0.00 O ATOM 1192 OE2 GLU B 5 2.440 2.464 -12.551 1.00 0.00 O ATOM 0 H GLU B 5 0.317 -1.704 -10.678 1.00 0.00 H new ATOM 0 HA GLU B 5 -0.924 0.709 -9.502 1.00 0.00 H new ATOM 0 HB2 GLU B 5 1.117 1.827 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.567 0.263 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.632 -0.375 -11.106 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.367 0.266 -12.136 1.00 0.00 H new ATOM 1200 N SER B 6 -1.876 0.007 -12.070 1.00 0.00 N ATOM 1201 CA SER B 6 -2.482 0.303 -13.358 1.00 0.00 C ATOM 1202 C SER B 6 -3.961 -0.085 -13.342 1.00 0.00 C ATOM 1203 O SER B 6 -4.643 0.012 -14.362 1.00 0.00 O ATOM 1204 CB SER B 6 -1.754 -0.424 -14.489 1.00 0.00 C ATOM 1205 OG SER B 6 -2.192 0.013 -15.774 1.00 0.00 O ATOM 0 H SER B 6 -2.327 -0.745 -11.549 1.00 0.00 H new ATOM 0 HA SER B 6 -2.397 1.375 -13.538 1.00 0.00 H new ATOM 0 HB2 SER B 6 -0.681 -0.257 -14.396 1.00 0.00 H new ATOM 0 HB3 SER B 6 -1.919 -1.497 -14.395 1.00 0.00 H new ATOM 0 HG SER B 6 -3.148 0.226 -15.739 1.00 0.00 H new ATOM 1211 N SER B 7 -4.415 -0.515 -12.173 1.00 0.00 N ATOM 1212 CA SER B 7 -5.802 -0.919 -12.012 1.00 0.00 C ATOM 1213 C SER B 7 -6.067 -1.308 -10.556 1.00 0.00 C ATOM 1214 O SER B 7 -5.132 -1.561 -9.797 1.00 0.00 O ATOM 1215 CB SER B 7 -6.149 -2.081 -12.944 1.00 0.00 C ATOM 1216 OG SER B 7 -7.165 -2.918 -12.398 1.00 0.00 O ATOM 0 H SER B 7 -3.847 -0.592 -11.329 1.00 0.00 H new ATOM 0 HA SER B 7 -6.438 -0.074 -12.278 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.481 -1.688 -13.905 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.254 -2.674 -13.133 1.00 0.00 H new ATOM 0 HG SER B 7 -8.009 -2.421 -12.353 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.346 -1.344 -10.210 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.746 -1.697 -8.859 1.00 0.00 C ATOM 1224 C LEU B 8 -8.768 -2.833 -8.916 1.00 0.00 C ATOM 1225 O LEU B 8 -8.936 -3.573 -7.947 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.241 -0.461 -8.106 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.245 -0.563 -6.580 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.443 -1.377 -6.087 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -6.919 -1.127 -6.064 1.00 0.00 C ATOM 0 H LEU B 8 -8.118 -1.134 -10.842 1.00 0.00 H new ATOM 0 HA LEU B 8 -6.891 -2.065 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.619 0.387 -8.392 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.255 -0.239 -8.438 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.349 0.442 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.421 -1.434 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.367 -0.895 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.396 -2.383 -6.504 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.949 -1.189 -4.976 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.760 -2.122 -6.480 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.102 -0.472 -6.368 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.428 -2.936 -10.060 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.432 -3.969 -10.257 1.00 0.00 C ATOM 1243 C GLU B 9 -9.766 -5.283 -10.669 1.00 0.00 C ATOM 1244 O GLU B 9 -8.789 -5.281 -11.414 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.473 -3.533 -11.289 1.00 0.00 C ATOM 1246 CG GLU B 9 -11.930 -2.095 -11.034 1.00 0.00 C ATOM 1247 CD GLU B 9 -12.942 -2.038 -9.888 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -12.548 -1.932 -8.717 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -14.179 -2.107 -10.249 1.00 0.00 O ATOM 0 H GLU B 9 -9.287 -2.321 -10.861 1.00 0.00 H new ATOM 0 HA GLU B 9 -10.952 -4.129 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.052 -3.612 -12.291 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.332 -4.203 -11.250 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.068 -1.472 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.377 -1.685 -11.940 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.338 -6.404 -10.153 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.811 -7.723 -10.460 1.00 0.00 C ATOM 1259 C PRO B 10 -10.186 -8.146 -11.882 1.00 0.00 C ATOM 1260 O PRO B 10 -10.475 -9.315 -12.131 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.396 -8.638 -9.396 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.588 -7.895 -8.816 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.498 -6.445 -9.267 1.00 0.00 C ATOM 0 HA PRO B 10 -8.722 -7.755 -10.440 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.702 -9.592 -9.826 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.660 -8.859 -8.623 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.521 -8.344 -9.158 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.584 -7.957 -7.728 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.405 -6.135 -9.787 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.372 -5.773 -8.418 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.168 -7.171 -12.779 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.502 -7.426 -14.169 1.00 0.00 C ATOM 1273 C TRP B 11 -9.489 -6.684 -15.043 1.00 0.00 C ATOM 1274 O TRP B 11 -9.088 -7.183 -16.094 1.00 0.00 O ATOM 1275 CB TRP B 11 -11.950 -7.031 -14.467 1.00 0.00 C ATOM 1276 CG TRP B 11 -12.741 -8.096 -15.229 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -13.316 -9.204 -14.740 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -13.026 -8.109 -16.644 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.946 -9.927 -15.732 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -13.765 -9.240 -16.926 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -12.671 -7.194 -17.650 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -14.210 -9.561 -18.213 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -13.125 -7.529 -18.932 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -13.869 -8.664 -19.234 1.00 0.00 C ATOM 0 H TRP B 11 -9.927 -6.202 -12.569 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.439 -8.491 -14.391 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.459 -6.819 -13.527 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -11.952 -6.108 -15.046 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -13.289 -9.494 -13.700 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -14.452 -10.805 -15.611 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -12.094 -6.303 -17.450 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -14.786 -10.453 -18.409 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -12.880 -6.859 -19.743 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -14.182 -8.853 -20.250 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.103 -5.506 -14.577 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.144 -4.691 -15.304 1.00 0.00 C ATOM 1297 C TYR B 12 -6.733 -4.872 -14.741 1.00 0.00 C ATOM 1298 O TYR B 12 -5.750 -4.761 -15.472 1.00 0.00 O ATOM 1299 CB TYR B 12 -8.582 -3.240 -15.095 1.00 0.00 C ATOM 1300 CG TYR B 12 -10.068 -2.993 -15.360 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -10.720 -3.707 -16.344 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -10.755 -2.056 -14.615 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -12.119 -3.475 -16.594 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -12.154 -1.825 -14.864 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.768 -2.545 -15.841 1.00 0.00 C ATOM 1306 OH TYR B 12 -14.089 -2.326 -16.078 1.00 0.00 O ATOM 0 H TYR B 12 -9.437 -5.096 -13.705 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.119 -4.973 -16.357 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -8.353 -2.946 -14.071 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -7.995 -2.596 -15.750 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -10.181 -4.440 -16.927 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -10.243 -1.497 -13.846 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -12.642 -4.026 -17.362 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -12.704 -1.096 -14.288 1.00 0.00 H new ATOM 0 HH TYR B 12 -14.529 -2.047 -15.248 1.00 0.00 H new ATOM 1316 N PRO B 13 -6.676 -5.153 -13.410 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.402 -5.352 -12.741 1.00 0.00 C ATOM 1318 C PRO B 13 -4.804 -6.715 -13.092 1.00 0.00 C ATOM 1319 O PRO B 13 -3.608 -6.824 -13.354 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.708 -5.200 -11.260 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.211 -5.386 -11.125 1.00 0.00 C ATOM 1322 CD PRO B 13 -7.820 -5.292 -12.514 1.00 0.00 C ATOM 0 HA PRO B 13 -4.646 -4.632 -13.054 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.168 -5.942 -10.671 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.401 -4.219 -10.896 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.437 -6.352 -10.674 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.633 -4.623 -10.471 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.404 -6.181 -12.752 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.493 -4.438 -12.595 1.00 0.00 H new ATOM 1330 N ASP B 14 -5.665 -7.722 -13.085 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.237 -9.075 -13.399 1.00 0.00 C ATOM 1332 C ASP B 14 -6.462 -9.928 -13.736 1.00 0.00 C ATOM 1333 O ASP B 14 -6.970 -9.876 -14.854 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.527 -9.718 -12.207 1.00 0.00 C ATOM 1335 CG ASP B 14 -4.626 -11.243 -12.140 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -4.904 -11.909 -13.148 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.401 -11.754 -10.977 1.00 0.00 O ATOM 0 H ASP B 14 -6.657 -7.628 -12.867 1.00 0.00 H new ATOM 0 HA ASP B 14 -4.550 -9.024 -14.244 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.474 -9.438 -12.237 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -4.941 -9.302 -11.289 1.00 0.00 H new