USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 379 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 Single : A 72 SER OG : rot 180:sc= 0.074 USER MOD Single : A 75 THR OG1 : rot 160:sc= -1.25 USER MOD Single : A 78 ASN : amide:sc= -1.9 K(o=-1.9,f=-8.5!) USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= -0.323 (180deg=-0.343) USER MOD Single : A 82 LYS NZ :NH3+ -146:sc= -0.154 (180deg=-1.08!) USER MOD Single : A 85 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00482) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 106 THR OG1 : rot 77:sc= 1.11 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 167:sc= -0.019 (180deg=-0.169) USER MOD Single : A 110 ASN : amide:sc= 0.963 K(o=0.96,f=-0.02) USER MOD Single : A 111 SER OG : rot 91:sc= 0.203 USER MOD Single : A 119 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.8!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 71 16.839 -10.322 1.173 1.00 0.00 N ATOM 2 CA LEU A 71 17.509 -10.605 -0.092 1.00 0.00 C ATOM 3 C LEU A 71 18.072 -9.328 -0.706 1.00 0.00 C ATOM 4 O LEU A 71 17.563 -8.236 -0.462 1.00 0.00 O ATOM 5 CB LEU A 71 16.536 -11.267 -1.071 1.00 0.00 C ATOM 6 CG LEU A 71 17.165 -11.765 -2.372 1.00 0.00 C ATOM 7 CD1 LEU A 71 17.931 -13.057 -2.135 1.00 0.00 C ATOM 8 CD2 LEU A 71 16.098 -11.964 -3.437 1.00 0.00 C ATOM 0 HA LEU A 71 18.335 -11.287 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 71 16.058 -12.109 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 71 15.749 -10.553 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 71 17.868 -11.010 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 71 18.372 -13.396 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.721 -12.883 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 71 17.250 -13.820 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 71 16.563 -12.319 -4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.371 -12.699 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 71 15.593 -11.017 -3.628 1.00 0.00 H new ATOM 20 N SER A 72 19.125 -9.470 -1.503 1.00 0.00 N ATOM 21 CA SER A 72 19.750 -8.323 -2.150 1.00 0.00 C ATOM 22 C SER A 72 19.021 -7.970 -3.441 1.00 0.00 C ATOM 23 O SER A 72 18.757 -8.837 -4.274 1.00 0.00 O ATOM 24 CB SER A 72 21.227 -8.608 -2.440 1.00 0.00 C ATOM 25 OG SER A 72 21.550 -9.962 -2.167 1.00 0.00 O ATOM 0 H SER A 72 19.563 -10.366 -1.716 1.00 0.00 H new ATOM 0 HA SER A 72 19.685 -7.473 -1.471 1.00 0.00 H new ATOM 0 HB2 SER A 72 21.446 -8.382 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.853 -7.953 -1.834 1.00 0.00 H new ATOM 0 HG SER A 72 22.498 -10.118 -2.362 1.00 0.00 H new ATOM 31 N CYS A 73 18.690 -6.694 -3.597 1.00 0.00 N ATOM 32 CA CYS A 73 17.982 -6.227 -4.785 1.00 0.00 C ATOM 33 C CYS A 73 18.740 -5.094 -5.473 1.00 0.00 C ATOM 34 O CYS A 73 19.535 -4.392 -4.848 1.00 0.00 O ATOM 35 CB CYS A 73 16.572 -5.765 -4.404 1.00 0.00 C ATOM 36 SG CYS A 73 15.631 -5.006 -5.769 1.00 0.00 S ATOM 0 H CYS A 73 18.900 -5.964 -2.917 1.00 0.00 H new ATOM 0 HA CYS A 73 17.912 -7.058 -5.487 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.013 -6.621 -4.026 1.00 0.00 H new ATOM 0 HB3 CYS A 73 16.647 -5.047 -3.588 1.00 0.00 H new ATOM 41 N LEU A 74 18.483 -4.924 -6.769 1.00 0.00 N ATOM 42 CA LEU A 74 19.133 -3.880 -7.554 1.00 0.00 C ATOM 43 C LEU A 74 18.111 -2.867 -8.064 1.00 0.00 C ATOM 44 O LEU A 74 17.158 -3.226 -8.755 1.00 0.00 O ATOM 45 CB LEU A 74 19.888 -4.499 -8.735 1.00 0.00 C ATOM 46 CG LEU A 74 21.413 -4.441 -8.629 1.00 0.00 C ATOM 47 CD1 LEU A 74 21.928 -5.550 -7.726 1.00 0.00 C ATOM 48 CD2 LEU A 74 22.046 -4.534 -10.009 1.00 0.00 C ATOM 0 H LEU A 74 17.827 -5.499 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 74 19.842 -3.361 -6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 74 19.585 -5.541 -8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.583 -3.990 -9.649 1.00 0.00 H new ATOM 0 HG LEU A 74 21.692 -3.484 -8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 74 23.015 -5.493 -7.663 1.00 0.00 H new ATOM 0 HD12 LEU A 74 21.500 -5.436 -6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 74 21.639 -6.517 -8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 74 23.131 -4.491 -9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 74 21.759 -5.475 -10.478 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.702 -3.702 -10.624 1.00 0.00 H new ATOM 60 N THR A 75 18.320 -1.602 -7.719 1.00 0.00 N ATOM 61 CA THR A 75 17.423 -0.532 -8.143 1.00 0.00 C ATOM 62 C THR A 75 17.601 -0.248 -9.633 1.00 0.00 C ATOM 63 O THR A 75 18.534 -0.752 -10.254 1.00 0.00 O ATOM 64 CB THR A 75 17.695 0.731 -7.325 1.00 0.00 C ATOM 65 OG1 THR A 75 19.011 1.201 -7.551 1.00 0.00 O ATOM 66 CG2 THR A 75 17.529 0.526 -5.835 1.00 0.00 C ATOM 0 H THR A 75 19.104 -1.291 -7.146 1.00 0.00 H new ATOM 0 HA THR A 75 16.394 -0.847 -7.973 1.00 0.00 H new ATOM 0 HB THR A 75 16.954 1.457 -7.660 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.070 2.145 -7.295 1.00 0.00 H new ATOM 0 HG21 THR A 75 17.737 1.461 -5.314 1.00 0.00 H new ATOM 0 HG22 THR A 75 16.507 0.211 -5.623 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.223 -0.242 -5.494 1.00 0.00 H new ATOM 74 N PRO A 76 16.707 0.558 -10.237 1.00 0.00 N ATOM 75 CA PRO A 76 16.792 0.890 -11.662 1.00 0.00 C ATOM 76 C PRO A 76 18.181 1.388 -12.052 1.00 0.00 C ATOM 77 O PRO A 76 18.609 1.237 -13.197 1.00 0.00 O ATOM 78 CB PRO A 76 15.753 1.999 -11.832 1.00 0.00 C ATOM 79 CG PRO A 76 14.759 1.742 -10.752 1.00 0.00 C ATOM 80 CD PRO A 76 15.549 1.206 -9.590 1.00 0.00 C ATOM 0 HA PRO A 76 16.611 0.024 -12.298 1.00 0.00 H new ATOM 0 HB2 PRO A 76 16.204 2.986 -11.730 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.288 1.961 -12.817 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.233 2.657 -10.479 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.005 1.025 -11.077 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.860 2.002 -8.913 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.968 0.496 -9.002 1.00 0.00 H new ATOM 88 N ASP A 77 18.884 1.975 -11.087 1.00 0.00 N ATOM 89 CA ASP A 77 20.229 2.488 -11.323 1.00 0.00 C ATOM 90 C ASP A 77 21.285 1.420 -11.028 1.00 0.00 C ATOM 91 O ASP A 77 22.485 1.696 -11.061 1.00 0.00 O ATOM 92 CB ASP A 77 20.483 3.729 -10.462 1.00 0.00 C ATOM 93 CG ASP A 77 20.658 4.984 -11.293 1.00 0.00 C ATOM 94 OD1 ASP A 77 19.760 5.288 -12.106 1.00 0.00 O ATOM 95 OD2 ASP A 77 21.693 5.664 -11.131 1.00 0.00 O ATOM 0 H ASP A 77 18.544 2.107 -10.134 1.00 0.00 H new ATOM 0 HA ASP A 77 20.305 2.763 -12.375 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.650 3.866 -9.773 1.00 0.00 H new ATOM 0 HB3 ASP A 77 21.375 3.571 -9.856 1.00 0.00 H new ATOM 100 N ASN A 78 20.830 0.199 -10.743 1.00 0.00 N ATOM 101 CA ASN A 78 21.729 -0.913 -10.445 1.00 0.00 C ATOM 102 C ASN A 78 22.402 -0.734 -9.091 1.00 0.00 C ATOM 103 O ASN A 78 23.530 -1.181 -8.883 1.00 0.00 O ATOM 104 CB ASN A 78 22.787 -1.060 -11.540 1.00 0.00 C ATOM 105 CG ASN A 78 22.188 -1.041 -12.933 1.00 0.00 C ATOM 106 OD1 ASN A 78 21.356 -0.192 -13.251 1.00 0.00 O ATOM 107 ND2 ASN A 78 22.608 -1.981 -13.770 1.00 0.00 N ATOM 0 H ASN A 78 19.840 -0.044 -10.713 1.00 0.00 H new ATOM 0 HA ASN A 78 21.128 -1.821 -10.410 1.00 0.00 H new ATOM 0 HB2 ASN A 78 23.513 -0.252 -11.449 1.00 0.00 H new ATOM 0 HB3 ASN A 78 23.329 -1.994 -11.394 1.00 0.00 H new ATOM 0 HD21 ASN A 78 22.239 -2.020 -14.720 1.00 0.00 H new ATOM 0 HD22 ASN A 78 23.300 -2.665 -13.463 1.00 0.00 H new ATOM 114 N LYS A 79 21.699 -0.092 -8.166 1.00 0.00 N ATOM 115 CA LYS A 79 22.227 0.126 -6.826 1.00 0.00 C ATOM 116 C LYS A 79 22.001 -1.117 -5.970 1.00 0.00 C ATOM 117 O LYS A 79 20.887 -1.635 -5.905 1.00 0.00 O ATOM 118 CB LYS A 79 21.559 1.341 -6.180 1.00 0.00 C ATOM 119 CG LYS A 79 22.223 1.784 -4.885 1.00 0.00 C ATOM 120 CD LYS A 79 23.663 2.211 -5.118 1.00 0.00 C ATOM 121 CE LYS A 79 24.294 2.754 -3.847 1.00 0.00 C ATOM 122 NZ LYS A 79 24.178 1.793 -2.716 1.00 0.00 N ATOM 0 H LYS A 79 20.764 0.286 -8.319 1.00 0.00 H new ATOM 0 HA LYS A 79 23.298 0.318 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 79 21.571 2.171 -6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 79 20.513 1.107 -5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 79 21.662 2.612 -4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 79 22.196 0.968 -4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 79 24.242 1.361 -5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 79 23.696 2.973 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 79 25.346 2.975 -4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 79 23.813 3.694 -3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 24.665 2.179 -1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 23.174 1.640 -2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 24.614 0.888 -2.984 1.00 0.00 H new ATOM 136 N PRO A 80 23.056 -1.638 -5.314 1.00 0.00 N ATOM 137 CA PRO A 80 22.948 -2.835 -4.487 1.00 0.00 C ATOM 138 C PRO A 80 22.348 -2.561 -3.114 1.00 0.00 C ATOM 139 O PRO A 80 22.992 -1.974 -2.245 1.00 0.00 O ATOM 140 CB PRO A 80 24.396 -3.320 -4.338 1.00 0.00 C ATOM 141 CG PRO A 80 25.239 -2.382 -5.147 1.00 0.00 C ATOM 142 CD PRO A 80 24.429 -1.131 -5.339 1.00 0.00 C ATOM 0 HA PRO A 80 22.282 -3.565 -4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 80 24.702 -3.314 -3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 80 24.502 -4.344 -4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 80 26.175 -2.162 -4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 80 25.499 -2.826 -6.108 1.00 0.00 H new ATOM 0 HD2 PRO A 80 24.608 -0.405 -4.546 1.00 0.00 H new ATOM 0 HD3 PRO A 80 24.662 -0.637 -6.282 1.00 0.00 H new ATOM 150 N GLY A 81 21.115 -3.008 -2.927 1.00 0.00 N ATOM 151 CA GLY A 81 20.435 -2.828 -1.660 1.00 0.00 C ATOM 152 C GLY A 81 19.834 -4.117 -1.144 1.00 0.00 C ATOM 153 O GLY A 81 20.401 -5.194 -1.334 1.00 0.00 O ATOM 0 H GLY A 81 20.569 -3.496 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 81 21.138 -2.438 -0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.648 -2.083 -1.775 1.00 0.00 H new ATOM 157 N LYS A 82 18.684 -4.011 -0.491 1.00 0.00 N ATOM 158 CA LYS A 82 18.006 -5.177 0.052 1.00 0.00 C ATOM 159 C LYS A 82 16.517 -5.139 -0.269 1.00 0.00 C ATOM 160 O LYS A 82 15.935 -4.067 -0.430 1.00 0.00 O ATOM 161 CB LYS A 82 18.216 -5.259 1.566 1.00 0.00 C ATOM 162 CG LYS A 82 19.671 -5.432 1.971 1.00 0.00 C ATOM 163 CD LYS A 82 20.249 -4.148 2.548 1.00 0.00 C ATOM 164 CE LYS A 82 21.525 -3.737 1.830 1.00 0.00 C ATOM 165 NZ LYS A 82 22.467 -4.881 1.671 1.00 0.00 N ATOM 0 H LYS A 82 18.202 -3.127 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 82 18.435 -6.065 -0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.824 -4.353 2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.636 -6.094 1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.751 -6.231 2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.257 -5.738 1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.512 -3.349 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.456 -4.286 3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.275 -3.333 0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.014 -2.939 2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.446 -4.536 1.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.295 -5.580 2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.319 -5.327 0.743 1.00 0.00 H new ATOM 179 N CYS A 83 15.906 -6.314 -0.354 1.00 0.00 N ATOM 180 CA CYS A 83 14.484 -6.412 -0.648 1.00 0.00 C ATOM 181 C CYS A 83 13.717 -6.877 0.586 1.00 0.00 C ATOM 182 O CYS A 83 14.033 -7.912 1.174 1.00 0.00 O ATOM 183 CB CYS A 83 14.247 -7.380 -1.813 1.00 0.00 C ATOM 184 SG CYS A 83 12.494 -7.795 -2.106 1.00 0.00 S ATOM 0 H CYS A 83 16.373 -7.211 -0.223 1.00 0.00 H new ATOM 0 HA CYS A 83 14.121 -5.425 -0.933 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.661 -6.943 -2.722 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.798 -8.301 -1.622 1.00 0.00 H new ATOM 189 N VAL A 84 12.709 -6.102 0.970 1.00 0.00 N ATOM 190 CA VAL A 84 11.893 -6.425 2.132 1.00 0.00 C ATOM 191 C VAL A 84 10.416 -6.182 1.846 1.00 0.00 C ATOM 192 O VAL A 84 10.066 -5.410 0.955 1.00 0.00 O ATOM 193 CB VAL A 84 12.309 -5.594 3.361 1.00 0.00 C ATOM 194 CG1 VAL A 84 13.709 -5.978 3.817 1.00 0.00 C ATOM 195 CG2 VAL A 84 12.229 -4.106 3.053 1.00 0.00 C ATOM 0 H VAL A 84 12.438 -5.243 0.491 1.00 0.00 H new ATOM 0 HA VAL A 84 12.052 -7.481 2.348 1.00 0.00 H new ATOM 0 HB VAL A 84 11.616 -5.810 4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.985 -5.381 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.728 -7.035 4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.418 -5.794 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.526 -3.536 3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 84 12.897 -3.870 2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.206 -3.845 2.780 1.00 0.00 H new ATOM 205 N ASN A 85 9.554 -6.851 2.607 1.00 0.00 N ATOM 206 CA ASN A 85 8.113 -6.711 2.435 1.00 0.00 C ATOM 207 C ASN A 85 7.686 -5.248 2.559 1.00 0.00 C ATOM 208 O ASN A 85 8.517 -4.342 2.525 1.00 0.00 O ATOM 209 CB ASN A 85 7.373 -7.564 3.468 1.00 0.00 C ATOM 210 CG ASN A 85 7.916 -8.977 3.548 1.00 0.00 C ATOM 211 OD1 ASN A 85 8.388 -9.413 4.597 1.00 0.00 O ATOM 212 ND2 ASN A 85 7.851 -9.701 2.436 1.00 0.00 N ATOM 0 H ASN A 85 9.829 -7.495 3.348 1.00 0.00 H new ATOM 0 HA ASN A 85 7.855 -7.058 1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 85 7.451 -7.092 4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 85 6.314 -7.599 3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.201 -10.659 2.430 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.451 -9.299 1.588 1.00 0.00 H new ATOM 219 N ILE A 86 6.383 -5.026 2.702 1.00 0.00 N ATOM 220 CA ILE A 86 5.845 -3.676 2.827 1.00 0.00 C ATOM 221 C ILE A 86 5.620 -3.308 4.284 1.00 0.00 C ATOM 222 O ILE A 86 4.664 -2.616 4.629 1.00 0.00 O ATOM 223 CB ILE A 86 4.532 -3.535 2.045 1.00 0.00 C ATOM 224 CG1 ILE A 86 3.429 -4.401 2.663 1.00 0.00 C ATOM 225 CG2 ILE A 86 4.778 -3.930 0.603 1.00 0.00 C ATOM 226 CD1 ILE A 86 2.099 -3.691 2.783 1.00 0.00 C ATOM 0 H ILE A 86 5.680 -5.764 2.734 1.00 0.00 H new ATOM 0 HA ILE A 86 6.580 -2.991 2.406 1.00 0.00 H new ATOM 0 HB ILE A 86 4.195 -2.499 2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.300 -5.297 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.747 -4.729 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.852 -3.834 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.537 -3.277 0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.123 -4.963 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.366 -4.364 3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.213 -2.810 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.758 -3.387 1.793 1.00 0.00 H new ATOM 238 N LYS A 87 6.520 -3.784 5.126 1.00 0.00 N ATOM 239 CA LYS A 87 6.447 -3.521 6.558 1.00 0.00 C ATOM 240 C LYS A 87 7.827 -3.622 7.201 1.00 0.00 C ATOM 241 O LYS A 87 7.997 -4.272 8.233 1.00 0.00 O ATOM 242 CB LYS A 87 5.482 -4.502 7.228 1.00 0.00 C ATOM 243 CG LYS A 87 5.852 -5.962 7.019 1.00 0.00 C ATOM 244 CD LYS A 87 4.756 -6.890 7.519 1.00 0.00 C ATOM 245 CE LYS A 87 5.326 -8.212 8.009 1.00 0.00 C ATOM 246 NZ LYS A 87 4.598 -8.722 9.204 1.00 0.00 N ATOM 0 H LYS A 87 7.315 -4.358 4.844 1.00 0.00 H new ATOM 0 HA LYS A 87 6.076 -2.506 6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.451 -4.294 8.297 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.478 -4.332 6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.031 -6.145 5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.783 -6.181 7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.209 -6.406 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.041 -7.076 6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.271 -8.950 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.381 -8.084 8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.017 -9.624 9.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.671 -8.030 9.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.597 -8.868 8.964 1.00 0.00 H new ATOM 260 N LYS A 88 8.811 -2.973 6.585 1.00 0.00 N ATOM 261 CA LYS A 88 10.175 -2.990 7.101 1.00 0.00 C ATOM 262 C LYS A 88 10.975 -1.798 6.584 1.00 0.00 C ATOM 263 O LYS A 88 11.671 -1.129 7.346 1.00 0.00 O ATOM 264 CB LYS A 88 10.873 -4.294 6.711 1.00 0.00 C ATOM 265 CG LYS A 88 12.106 -4.599 7.548 1.00 0.00 C ATOM 266 CD LYS A 88 12.048 -5.997 8.142 1.00 0.00 C ATOM 267 CE LYS A 88 11.436 -5.986 9.533 1.00 0.00 C ATOM 268 NZ LYS A 88 12.397 -5.497 10.559 1.00 0.00 N ATOM 0 H LYS A 88 8.689 -2.430 5.730 1.00 0.00 H new ATOM 0 HA LYS A 88 10.123 -2.922 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.166 -5.118 6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.161 -4.242 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.999 -4.502 6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.193 -3.866 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.463 -6.646 7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.053 -6.416 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.550 -5.352 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.108 -6.992 9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.977 -5.600 11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.274 -6.054 10.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 12.612 -4.495 10.383 1.00 0.00 H new ATOM 282 N CYS A 89 10.877 -1.541 5.284 1.00 0.00 N ATOM 283 CA CYS A 89 11.595 -0.431 4.666 1.00 0.00 C ATOM 284 C CYS A 89 11.089 0.909 5.191 1.00 0.00 C ATOM 285 O CYS A 89 9.882 1.144 5.261 1.00 0.00 O ATOM 286 CB CYS A 89 11.451 -0.485 3.144 1.00 0.00 C ATOM 287 SG CYS A 89 12.839 0.273 2.239 1.00 0.00 S ATOM 0 H CYS A 89 10.307 -2.086 4.637 1.00 0.00 H new ATOM 0 HA CYS A 89 12.649 -0.526 4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 89 11.355 -1.526 2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 89 10.527 0.018 2.859 1.00 0.00 H new ATOM 292 N THR A 90 12.019 1.786 5.557 1.00 0.00 N ATOM 293 CA THR A 90 11.669 3.105 6.074 1.00 0.00 C ATOM 294 C THR A 90 11.113 3.994 4.968 1.00 0.00 C ATOM 295 O THR A 90 10.288 4.872 5.219 1.00 0.00 O ATOM 296 CB THR A 90 12.892 3.767 6.709 1.00 0.00 C ATOM 297 OG1 THR A 90 13.575 2.857 7.553 1.00 0.00 O ATOM 298 CG2 THR A 90 12.551 4.990 7.534 1.00 0.00 C ATOM 0 H THR A 90 13.022 1.607 5.505 1.00 0.00 H new ATOM 0 HA THR A 90 10.898 2.976 6.833 1.00 0.00 H new ATOM 0 HB THR A 90 13.519 4.076 5.872 1.00 0.00 H new ATOM 0 HG1 THR A 90 14.355 3.300 7.948 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.464 5.411 7.956 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.068 5.734 6.900 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.875 4.708 8.341 1.00 0.00 H new ATOM 306 N HIS A 91 11.570 3.762 3.741 1.00 0.00 N ATOM 307 CA HIS A 91 11.118 4.544 2.594 1.00 0.00 C ATOM 308 C HIS A 91 9.599 4.484 2.460 1.00 0.00 C ATOM 309 O HIS A 91 8.964 5.457 2.056 1.00 0.00 O ATOM 310 CB HIS A 91 11.775 4.033 1.312 1.00 0.00 C ATOM 311 CG HIS A 91 13.243 4.311 1.240 1.00 0.00 C ATOM 312 ND1 HIS A 91 13.770 5.419 0.608 1.00 0.00 N ATOM 313 CD2 HIS A 91 14.300 3.619 1.728 1.00 0.00 C ATOM 314 CE1 HIS A 91 15.088 5.393 0.710 1.00 0.00 C ATOM 315 NE2 HIS A 91 15.433 4.314 1.384 1.00 0.00 N ATOM 0 H HIS A 91 12.253 3.039 3.515 1.00 0.00 H new ATOM 0 HA HIS A 91 11.410 5.582 2.755 1.00 0.00 H new ATOM 0 HB2 HIS A 91 11.613 2.958 1.234 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.284 4.492 0.454 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.259 2.694 2.284 1.00 0.00 H new ATOM 0 HE1 HIS A 91 15.767 6.131 0.309 1.00 0.00 H new ATOM 0 HE2 HIS A 91 16.388 4.039 1.613 1.00 0.00 H new ATOM 324 N LEU A 92 9.025 3.337 2.806 1.00 0.00 N ATOM 325 CA LEU A 92 7.582 3.155 2.726 1.00 0.00 C ATOM 326 C LEU A 92 6.870 4.027 3.753 1.00 0.00 C ATOM 327 O LEU A 92 5.828 4.616 3.469 1.00 0.00 O ATOM 328 CB LEU A 92 7.220 1.684 2.945 1.00 0.00 C ATOM 329 CG LEU A 92 7.064 0.860 1.667 1.00 0.00 C ATOM 330 CD1 LEU A 92 8.358 0.861 0.869 1.00 0.00 C ATOM 331 CD2 LEU A 92 6.643 -0.562 2.001 1.00 0.00 C ATOM 0 H LEU A 92 9.536 2.522 3.144 1.00 0.00 H new ATOM 0 HA LEU A 92 7.255 3.456 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.990 1.224 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.288 1.635 3.507 1.00 0.00 H new ATOM 0 HG LEU A 92 6.285 1.316 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.227 0.269 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.618 1.885 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.157 0.430 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.536 -1.136 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.400 -1.027 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.690 -0.545 2.530 1.00 0.00 H new ATOM 343 N ALA A 93 7.446 4.105 4.947 1.00 0.00 N ATOM 344 CA ALA A 93 6.874 4.909 6.019 1.00 0.00 C ATOM 345 C ALA A 93 6.894 6.390 5.658 1.00 0.00 C ATOM 346 O ALA A 93 6.009 7.149 6.055 1.00 0.00 O ATOM 347 CB ALA A 93 7.627 4.667 7.318 1.00 0.00 C ATOM 0 H ALA A 93 8.309 3.621 5.197 1.00 0.00 H new ATOM 0 HA ALA A 93 5.835 4.609 6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.189 5.274 8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.558 3.613 7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.674 4.940 7.188 1.00 0.00 H new ATOM 353 N GLU A 94 7.911 6.794 4.902 1.00 0.00 N ATOM 354 CA GLU A 94 8.047 8.185 4.486 1.00 0.00 C ATOM 355 C GLU A 94 6.919 8.582 3.541 1.00 0.00 C ATOM 356 O GLU A 94 6.347 9.666 3.658 1.00 0.00 O ATOM 357 CB GLU A 94 9.403 8.408 3.809 1.00 0.00 C ATOM 358 CG GLU A 94 10.426 9.084 4.706 1.00 0.00 C ATOM 359 CD GLU A 94 11.307 8.090 5.440 1.00 0.00 C ATOM 360 OE1 GLU A 94 11.765 7.120 4.800 1.00 0.00 O ATOM 361 OE2 GLU A 94 11.538 8.283 6.652 1.00 0.00 O ATOM 0 H GLU A 94 8.652 6.178 4.566 1.00 0.00 H new ATOM 0 HA GLU A 94 7.988 8.812 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.798 7.447 3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.258 9.015 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.052 9.743 4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.909 9.711 5.432 1.00 0.00 H new ATOM 368 N ILE A 95 6.604 7.696 2.606 1.00 0.00 N ATOM 369 CA ILE A 95 5.542 7.948 1.638 1.00 0.00 C ATOM 370 C ILE A 95 4.177 7.956 2.316 1.00 0.00 C ATOM 371 O ILE A 95 3.301 8.745 1.963 1.00 0.00 O ATOM 372 CB ILE A 95 5.542 6.896 0.512 1.00 0.00 C ATOM 373 CG1 ILE A 95 6.933 6.784 -0.113 1.00 0.00 C ATOM 374 CG2 ILE A 95 4.507 7.247 -0.546 1.00 0.00 C ATOM 375 CD1 ILE A 95 7.378 8.043 -0.825 1.00 0.00 C ATOM 0 H ILE A 95 7.069 6.795 2.496 1.00 0.00 H new ATOM 0 HA ILE A 95 5.735 8.928 1.203 1.00 0.00 H new ATOM 0 HB ILE A 95 5.278 5.930 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.655 6.543 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.939 5.955 -0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.521 6.493 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.517 7.277 -0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.740 8.222 -0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.373 7.892 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.678 8.274 -1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.404 8.871 -0.117 1.00 0.00 H new ATOM 387 N GLU A 96 4.008 7.072 3.293 1.00 0.00 N ATOM 388 CA GLU A 96 2.751 6.975 4.026 1.00 0.00 C ATOM 389 C GLU A 96 2.545 8.195 4.919 1.00 0.00 C ATOM 390 O GLU A 96 1.414 8.611 5.167 1.00 0.00 O ATOM 391 CB GLU A 96 2.727 5.698 4.869 1.00 0.00 C ATOM 392 CG GLU A 96 1.934 4.565 4.236 1.00 0.00 C ATOM 393 CD GLU A 96 1.152 3.761 5.256 1.00 0.00 C ATOM 394 OE1 GLU A 96 0.353 4.366 6.002 1.00 0.00 O ATOM 395 OE2 GLU A 96 1.336 2.527 5.306 1.00 0.00 O ATOM 0 H GLU A 96 4.725 6.413 3.596 1.00 0.00 H new ATOM 0 HA GLU A 96 1.937 6.939 3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.751 5.364 5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.302 5.926 5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.246 4.976 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.616 3.903 3.702 1.00 0.00 H new ATOM 402 N GLU A 97 3.647 8.763 5.399 1.00 0.00 N ATOM 403 CA GLU A 97 3.588 9.933 6.266 1.00 0.00 C ATOM 404 C GLU A 97 3.150 11.169 5.486 1.00 0.00 C ATOM 405 O GLU A 97 2.512 12.067 6.036 1.00 0.00 O ATOM 406 CB GLU A 97 4.952 10.182 6.914 1.00 0.00 C ATOM 407 CG GLU A 97 5.129 9.475 8.247 1.00 0.00 C ATOM 408 CD GLU A 97 6.581 9.172 8.559 1.00 0.00 C ATOM 409 OE1 GLU A 97 7.384 10.126 8.634 1.00 0.00 O ATOM 410 OE2 GLU A 97 6.917 7.981 8.728 1.00 0.00 O ATOM 0 H GLU A 97 4.591 8.431 5.202 1.00 0.00 H new ATOM 0 HA GLU A 97 2.852 9.739 7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.735 9.853 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.086 11.254 7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.713 10.095 9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.561 8.544 8.239 1.00 0.00 H new ATOM 417 N ASP A 98 3.497 11.210 4.204 1.00 0.00 N ATOM 418 CA ASP A 98 3.140 12.339 3.352 1.00 0.00 C ATOM 419 C ASP A 98 2.859 11.877 1.922 1.00 0.00 C ATOM 420 O ASP A 98 3.785 11.557 1.175 1.00 0.00 O ATOM 421 CB ASP A 98 4.264 13.378 3.354 1.00 0.00 C ATOM 422 CG ASP A 98 3.953 14.562 4.252 1.00 0.00 C ATOM 423 OD1 ASP A 98 4.099 14.426 5.485 1.00 0.00 O ATOM 424 OD2 ASP A 98 3.563 15.623 3.721 1.00 0.00 O ATOM 0 H ASP A 98 4.025 10.475 3.732 1.00 0.00 H new ATOM 0 HA ASP A 98 2.233 12.792 3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.190 12.908 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.431 13.731 2.336 1.00 0.00 H new ATOM 429 N PRO A 99 1.576 11.836 1.518 1.00 0.00 N ATOM 430 CA PRO A 99 1.189 11.410 0.169 1.00 0.00 C ATOM 431 C PRO A 99 1.628 12.406 -0.899 1.00 0.00 C ATOM 432 O PRO A 99 2.446 13.288 -0.640 1.00 0.00 O ATOM 433 CB PRO A 99 -0.339 11.338 0.240 1.00 0.00 C ATOM 434 CG PRO A 99 -0.714 12.270 1.339 1.00 0.00 C ATOM 435 CD PRO A 99 0.405 12.199 2.340 1.00 0.00 C ATOM 0 HA PRO A 99 1.658 10.467 -0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -0.793 11.637 -0.705 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -0.678 10.323 0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -0.839 13.286 0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -1.662 11.979 1.792 1.00 0.00 H new ATOM 0 HD2 PRO A 99 0.551 13.152 2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.208 11.454 3.111 1.00 0.00 H new ATOM 443 N ILE A 100 1.081 12.257 -2.103 1.00 0.00 N ATOM 444 CA ILE A 100 1.418 13.143 -3.214 1.00 0.00 C ATOM 445 C ILE A 100 2.840 12.896 -3.703 1.00 0.00 C ATOM 446 O ILE A 100 3.676 12.364 -2.972 1.00 0.00 O ATOM 447 CB ILE A 100 1.272 14.627 -2.823 1.00 0.00 C ATOM 448 CG1 ILE A 100 -0.054 14.860 -2.096 1.00 0.00 C ATOM 449 CG2 ILE A 100 1.366 15.511 -4.058 1.00 0.00 C ATOM 450 CD1 ILE A 100 -1.270 14.609 -2.960 1.00 0.00 C ATOM 0 H ILE A 100 0.403 11.531 -2.334 1.00 0.00 H new ATOM 0 HA ILE A 100 0.715 12.919 -4.016 1.00 0.00 H new ATOM 0 HB ILE A 100 2.086 14.890 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.099 14.210 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.083 15.887 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.261 16.556 -3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.333 15.364 -4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.571 15.247 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.174 14.794 -2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.249 15.277 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.265 13.575 -3.304 1.00 0.00 H new ATOM 462 N GLY A 101 3.108 13.285 -4.946 1.00 0.00 N ATOM 463 CA GLY A 101 4.431 13.097 -5.513 1.00 0.00 C ATOM 464 C GLY A 101 4.460 12.007 -6.567 1.00 0.00 C ATOM 465 O GLY A 101 4.560 10.824 -6.244 1.00 0.00 O ATOM 0 H GLY A 101 2.433 13.727 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.770 14.034 -5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.132 12.847 -4.717 1.00 0.00 H new ATOM 469 N GLU A 102 4.367 12.407 -7.832 1.00 0.00 N ATOM 470 CA GLU A 102 4.381 11.454 -8.937 1.00 0.00 C ATOM 471 C GLU A 102 5.666 10.634 -8.934 1.00 0.00 C ATOM 472 O GLU A 102 5.668 9.464 -9.315 1.00 0.00 O ATOM 473 CB GLU A 102 4.232 12.186 -10.272 1.00 0.00 C ATOM 474 CG GLU A 102 2.801 12.592 -10.587 1.00 0.00 C ATOM 475 CD GLU A 102 2.659 14.079 -10.847 1.00 0.00 C ATOM 476 OE1 GLU A 102 3.112 14.875 -10.000 1.00 0.00 O ATOM 477 OE2 GLU A 102 2.092 14.446 -11.898 1.00 0.00 O ATOM 0 H GLU A 102 4.281 13.383 -8.117 1.00 0.00 H new ATOM 0 HA GLU A 102 3.539 10.775 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.859 13.077 -10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.603 11.545 -11.072 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.455 12.040 -11.461 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.156 12.309 -9.755 1.00 0.00 H new ATOM 484 N ASP A 103 6.758 11.256 -8.502 1.00 0.00 N ATOM 485 CA ASP A 103 8.050 10.581 -8.449 1.00 0.00 C ATOM 486 C ASP A 103 8.079 9.552 -7.323 1.00 0.00 C ATOM 487 O ASP A 103 8.756 8.529 -7.422 1.00 0.00 O ATOM 488 CB ASP A 103 9.175 11.599 -8.255 1.00 0.00 C ATOM 489 CG ASP A 103 8.961 12.470 -7.033 1.00 0.00 C ATOM 490 OD1 ASP A 103 9.413 12.077 -5.938 1.00 0.00 O ATOM 491 OD2 ASP A 103 8.344 13.547 -7.171 1.00 0.00 O ATOM 0 H ASP A 103 6.774 12.225 -8.184 1.00 0.00 H new ATOM 0 HA ASP A 103 8.200 10.062 -9.396 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.125 11.073 -8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 103 9.246 12.231 -9.140 1.00 0.00 H new ATOM 496 N GLU A 104 7.338 9.830 -6.255 1.00 0.00 N ATOM 497 CA GLU A 104 7.280 8.928 -5.111 1.00 0.00 C ATOM 498 C GLU A 104 6.479 7.676 -5.447 1.00 0.00 C ATOM 499 O GLU A 104 6.850 6.567 -5.066 1.00 0.00 O ATOM 500 CB GLU A 104 6.662 9.639 -3.905 1.00 0.00 C ATOM 501 CG GLU A 104 7.690 10.207 -2.940 1.00 0.00 C ATOM 502 CD GLU A 104 8.345 11.470 -3.465 1.00 0.00 C ATOM 503 OE1 GLU A 104 7.637 12.295 -4.081 1.00 0.00 O ATOM 504 OE2 GLU A 104 9.565 11.635 -3.259 1.00 0.00 O ATOM 0 H GLU A 104 6.770 10.672 -6.158 1.00 0.00 H new ATOM 0 HA GLU A 104 8.298 8.629 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.023 10.448 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.022 8.938 -3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.208 10.421 -1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.457 9.457 -2.748 1.00 0.00 H new ATOM 511 N THR A 105 5.379 7.863 -6.165 1.00 0.00 N ATOM 512 CA THR A 105 4.524 6.750 -6.557 1.00 0.00 C ATOM 513 C THR A 105 5.204 5.897 -7.621 1.00 0.00 C ATOM 514 O THR A 105 5.049 4.676 -7.645 1.00 0.00 O ATOM 515 CB THR A 105 3.181 7.266 -7.076 1.00 0.00 C ATOM 516 OG1 THR A 105 2.911 8.561 -6.569 1.00 0.00 O ATOM 517 CG2 THR A 105 2.014 6.375 -6.707 1.00 0.00 C ATOM 0 H THR A 105 5.058 8.776 -6.488 1.00 0.00 H new ATOM 0 HA THR A 105 4.347 6.131 -5.678 1.00 0.00 H new ATOM 0 HB THR A 105 3.277 7.280 -8.162 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.049 8.874 -6.914 1.00 0.00 H new ATOM 0 HG21 THR A 105 1.092 6.799 -7.106 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.168 5.381 -7.127 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.940 6.303 -5.622 1.00 0.00 H new ATOM 525 N THR A 106 5.959 6.549 -8.498 1.00 0.00 N ATOM 526 CA THR A 106 6.668 5.853 -9.564 1.00 0.00 C ATOM 527 C THR A 106 7.833 5.048 -8.999 1.00 0.00 C ATOM 528 O THR A 106 8.162 3.974 -9.503 1.00 0.00 O ATOM 529 CB THR A 106 7.177 6.850 -10.605 1.00 0.00 C ATOM 530 OG1 THR A 106 6.133 7.706 -11.034 1.00 0.00 O ATOM 531 CG2 THR A 106 7.758 6.186 -11.835 1.00 0.00 C ATOM 0 H THR A 106 6.096 7.560 -8.491 1.00 0.00 H new ATOM 0 HA THR A 106 5.971 5.166 -10.045 1.00 0.00 H new ATOM 0 HB THR A 106 7.967 7.410 -10.105 1.00 0.00 H new ATOM 0 HG1 THR A 106 5.964 8.386 -10.348 1.00 0.00 H new ATOM 0 HG21 THR A 106 8.100 6.950 -12.533 1.00 0.00 H new ATOM 0 HG22 THR A 106 8.599 5.556 -11.545 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.994 5.574 -12.313 1.00 0.00 H new ATOM 539 N TYR A 107 8.453 5.574 -7.949 1.00 0.00 N ATOM 540 CA TYR A 107 9.581 4.905 -7.313 1.00 0.00 C ATOM 541 C TYR A 107 9.136 3.608 -6.645 1.00 0.00 C ATOM 542 O TYR A 107 9.875 2.624 -6.624 1.00 0.00 O ATOM 543 CB TYR A 107 10.235 5.826 -6.281 1.00 0.00 C ATOM 544 CG TYR A 107 11.583 5.339 -5.799 1.00 0.00 C ATOM 545 CD1 TYR A 107 12.686 5.341 -6.644 1.00 0.00 C ATOM 546 CD2 TYR A 107 11.753 4.878 -4.501 1.00 0.00 C ATOM 547 CE1 TYR A 107 13.920 4.896 -6.207 1.00 0.00 C ATOM 548 CE2 TYR A 107 12.984 4.432 -4.057 1.00 0.00 C ATOM 549 CZ TYR A 107 14.063 4.444 -4.913 1.00 0.00 C ATOM 550 OH TYR A 107 15.290 4.000 -4.475 1.00 0.00 O ATOM 0 H TYR A 107 8.193 6.462 -7.520 1.00 0.00 H new ATOM 0 HA TYR A 107 10.311 4.664 -8.086 1.00 0.00 H new ATOM 0 HB2 TYR A 107 10.351 6.819 -6.715 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.568 5.929 -5.425 1.00 0.00 H new ATOM 0 HD1 TYR A 107 12.578 5.696 -7.658 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.910 4.867 -3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 107 14.768 4.903 -6.876 1.00 0.00 H new ATOM 0 HE2 TYR A 107 13.099 4.076 -3.044 1.00 0.00 H new ATOM 0 HH TYR A 107 15.221 3.717 -3.539 1.00 0.00 H new ATOM 560 N LEU A 108 7.924 3.616 -6.101 1.00 0.00 N ATOM 561 CA LEU A 108 7.380 2.439 -5.433 1.00 0.00 C ATOM 562 C LEU A 108 7.016 1.360 -6.447 1.00 0.00 C ATOM 563 O LEU A 108 7.234 0.171 -6.211 1.00 0.00 O ATOM 564 CB LEU A 108 6.149 2.817 -4.607 1.00 0.00 C ATOM 565 CG LEU A 108 6.440 3.645 -3.354 1.00 0.00 C ATOM 566 CD1 LEU A 108 5.282 4.583 -3.051 1.00 0.00 C ATOM 567 CD2 LEU A 108 6.715 2.734 -2.167 1.00 0.00 C ATOM 0 H LEU A 108 7.300 4.423 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 108 8.146 2.043 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.462 3.376 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.636 1.903 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 108 7.329 4.248 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.508 5.163 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.131 5.259 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.376 4.001 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.920 3.339 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.844 2.105 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.578 2.104 -2.384 1.00 0.00 H new ATOM 579 N LYS A 109 6.462 1.784 -7.576 1.00 0.00 N ATOM 580 CA LYS A 109 6.068 0.857 -8.631 1.00 0.00 C ATOM 581 C LYS A 109 7.292 0.270 -9.326 1.00 0.00 C ATOM 582 O LYS A 109 7.280 -0.882 -9.760 1.00 0.00 O ATOM 583 CB LYS A 109 5.174 1.565 -9.652 1.00 0.00 C ATOM 584 CG LYS A 109 3.931 0.772 -10.023 1.00 0.00 C ATOM 585 CD LYS A 109 4.276 -0.437 -10.877 1.00 0.00 C ATOM 586 CE LYS A 109 3.026 -1.188 -11.310 1.00 0.00 C ATOM 587 NZ LYS A 109 2.185 -0.383 -12.240 1.00 0.00 N ATOM 0 H LYS A 109 6.275 2.765 -7.785 1.00 0.00 H new ATOM 0 HA LYS A 109 5.509 0.041 -8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.872 2.532 -9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.752 1.762 -10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.423 0.445 -9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.236 1.415 -10.564 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.832 -0.115 -11.758 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.928 -1.106 -10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.313 -2.120 -11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.440 -1.455 -10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.470 -0.996 -12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.711 0.376 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.786 0.034 -12.979 1.00 0.00 H new ATOM 601 N ASN A 110 8.348 1.071 -9.427 1.00 0.00 N ATOM 602 CA ASN A 110 9.582 0.633 -10.069 1.00 0.00 C ATOM 603 C ASN A 110 10.434 -0.191 -9.105 1.00 0.00 C ATOM 604 O ASN A 110 11.197 -1.060 -9.525 1.00 0.00 O ATOM 605 CB ASN A 110 10.379 1.840 -10.567 1.00 0.00 C ATOM 606 CG ASN A 110 9.930 2.301 -11.940 1.00 0.00 C ATOM 607 OD1 ASN A 110 10.603 2.058 -12.940 1.00 0.00 O ATOM 608 ND2 ASN A 110 8.786 2.973 -11.993 1.00 0.00 N ATOM 0 H ASN A 110 8.374 2.027 -9.072 1.00 0.00 H new ATOM 0 HA ASN A 110 9.317 0.005 -10.920 1.00 0.00 H new ATOM 0 HB2 ASN A 110 10.272 2.661 -9.858 1.00 0.00 H new ATOM 0 HB3 ASN A 110 11.438 1.584 -10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.433 3.310 -12.889 1.00 0.00 H new ATOM 0 HD22 ASN A 110 8.260 3.152 -11.138 1.00 0.00 H new ATOM 615 N SER A 111 10.296 0.088 -7.812 1.00 0.00 N ATOM 616 CA SER A 111 11.051 -0.628 -6.792 1.00 0.00 C ATOM 617 C SER A 111 10.218 -1.755 -6.190 1.00 0.00 C ATOM 618 O SER A 111 10.287 -2.019 -4.989 1.00 0.00 O ATOM 619 CB SER A 111 11.499 0.334 -5.691 1.00 0.00 C ATOM 620 OG SER A 111 12.433 1.279 -6.187 1.00 0.00 O ATOM 0 H SER A 111 9.668 0.805 -7.447 1.00 0.00 H new ATOM 0 HA SER A 111 11.931 -1.063 -7.265 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.632 0.854 -5.284 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.947 -0.229 -4.872 1.00 0.00 H new ATOM 0 HG SER A 111 11.957 2.076 -6.502 1.00 0.00 H new ATOM 626 N VAL A 112 9.434 -2.418 -7.033 1.00 0.00 N ATOM 627 CA VAL A 112 8.590 -3.518 -6.588 1.00 0.00 C ATOM 628 C VAL A 112 9.329 -4.849 -6.687 1.00 0.00 C ATOM 629 O VAL A 112 9.998 -5.127 -7.683 1.00 0.00 O ATOM 630 CB VAL A 112 7.287 -3.597 -7.408 1.00 0.00 C ATOM 631 CG1 VAL A 112 7.590 -3.850 -8.878 1.00 0.00 C ATOM 632 CG2 VAL A 112 6.364 -4.671 -6.852 1.00 0.00 C ATOM 0 H VAL A 112 9.366 -2.212 -8.030 1.00 0.00 H new ATOM 0 HA VAL A 112 8.337 -3.324 -5.546 1.00 0.00 H new ATOM 0 HB VAL A 112 6.776 -2.638 -7.328 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.656 -3.902 -9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.203 -3.037 -9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.128 -4.792 -8.982 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.451 -4.709 -7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 112 6.865 -5.638 -6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 112 6.114 -4.436 -5.817 1.00 0.00 H new ATOM 642 N CYS A 113 9.204 -5.664 -5.647 1.00 0.00 N ATOM 643 CA CYS A 113 9.859 -6.966 -5.609 1.00 0.00 C ATOM 644 C CYS A 113 8.907 -8.073 -6.059 1.00 0.00 C ATOM 645 O CYS A 113 9.024 -9.218 -5.624 1.00 0.00 O ATOM 646 CB CYS A 113 10.369 -7.258 -4.196 1.00 0.00 C ATOM 647 SG CYS A 113 12.185 -7.275 -4.044 1.00 0.00 S ATOM 0 H CYS A 113 8.654 -5.446 -4.816 1.00 0.00 H new ATOM 0 HA CYS A 113 10.703 -6.940 -6.298 1.00 0.00 H new ATOM 0 HB2 CYS A 113 9.966 -6.509 -3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 113 9.980 -8.224 -3.874 1.00 0.00 H new ATOM 652 N ALA A 114 7.967 -7.725 -6.931 1.00 0.00 N ATOM 653 CA ALA A 114 6.999 -8.693 -7.433 1.00 0.00 C ATOM 654 C ALA A 114 6.307 -8.180 -8.691 1.00 0.00 C ATOM 655 O ALA A 114 6.641 -7.111 -9.202 1.00 0.00 O ATOM 656 CB ALA A 114 5.973 -9.019 -6.358 1.00 0.00 C ATOM 0 H ALA A 114 7.855 -6.782 -7.304 1.00 0.00 H new ATOM 0 HA ALA A 114 7.537 -9.604 -7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.257 -9.743 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.478 -9.439 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.448 -8.109 -6.068 1.00 0.00 H new ATOM 662 N GLY A 115 5.342 -8.949 -9.184 1.00 0.00 N ATOM 663 CA GLY A 115 4.616 -8.556 -10.379 1.00 0.00 C ATOM 664 C GLY A 115 3.136 -8.343 -10.118 1.00 0.00 C ATOM 665 O GLY A 115 2.677 -7.203 -10.036 1.00 0.00 O ATOM 0 H GLY A 115 5.049 -9.838 -8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.047 -7.637 -10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.740 -9.323 -11.144 1.00 0.00 H new ATOM 669 N PRO A 116 2.358 -9.429 -9.982 1.00 0.00 N ATOM 670 CA PRO A 116 0.914 -9.341 -9.728 1.00 0.00 C ATOM 671 C PRO A 116 0.603 -8.786 -8.343 1.00 0.00 C ATOM 672 O PRO A 116 -0.390 -8.081 -8.155 1.00 0.00 O ATOM 673 CB PRO A 116 0.441 -10.792 -9.841 1.00 0.00 C ATOM 674 CG PRO A 116 1.649 -11.612 -9.543 1.00 0.00 C ATOM 675 CD PRO A 116 2.819 -10.827 -10.065 1.00 0.00 C ATOM 0 HA PRO A 116 0.420 -8.664 -10.424 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -0.363 -11.002 -9.136 1.00 0.00 H new ATOM 0 HB3 PRO A 116 0.054 -11.005 -10.838 1.00 0.00 H new ATOM 0 HG2 PRO A 116 1.745 -11.791 -8.472 1.00 0.00 H new ATOM 0 HG3 PRO A 116 1.587 -12.588 -10.025 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.713 -10.991 -9.464 1.00 0.00 H new ATOM 0 HD3 PRO A 116 3.067 -11.108 -11.089 1.00 0.00 H new ATOM 683 N GLU A 117 1.455 -9.107 -7.376 1.00 0.00 N ATOM 684 CA GLU A 117 1.268 -8.640 -6.007 1.00 0.00 C ATOM 685 C GLU A 117 2.221 -7.490 -5.691 1.00 0.00 C ATOM 686 O GLU A 117 3.102 -7.164 -6.486 1.00 0.00 O ATOM 687 CB GLU A 117 1.486 -9.791 -5.021 1.00 0.00 C ATOM 688 CG GLU A 117 0.212 -10.241 -4.323 1.00 0.00 C ATOM 689 CD GLU A 117 0.159 -9.807 -2.871 1.00 0.00 C ATOM 690 OE1 GLU A 117 0.747 -10.505 -2.021 1.00 0.00 O ATOM 691 OE2 GLU A 117 -0.473 -8.767 -2.585 1.00 0.00 O ATOM 0 H GLU A 117 2.282 -9.688 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 117 0.245 -8.276 -5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.918 -10.638 -5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 117 2.213 -9.483 -4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.650 -9.835 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 117 0.137 -11.327 -4.377 1.00 0.00 H new ATOM 698 N ASP A 118 2.039 -6.882 -4.524 1.00 0.00 N ATOM 699 CA ASP A 118 2.881 -5.768 -4.102 1.00 0.00 C ATOM 700 C ASP A 118 3.272 -5.908 -2.635 1.00 0.00 C ATOM 701 O ASP A 118 3.472 -4.912 -1.939 1.00 0.00 O ATOM 702 CB ASP A 118 2.158 -4.440 -4.330 1.00 0.00 C ATOM 703 CG ASP A 118 2.530 -3.798 -5.652 1.00 0.00 C ATOM 704 OD1 ASP A 118 2.427 -4.481 -6.692 1.00 0.00 O ATOM 705 OD2 ASP A 118 2.923 -2.613 -5.647 1.00 0.00 O ATOM 0 H ASP A 118 1.316 -7.142 -3.853 1.00 0.00 H new ATOM 0 HA ASP A 118 3.791 -5.783 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 118 1.081 -4.606 -4.300 1.00 0.00 H new ATOM 0 HB3 ASP A 118 2.397 -3.755 -3.517 1.00 0.00 H new ATOM 710 N ASN A 119 3.379 -7.148 -2.170 1.00 0.00 N ATOM 711 CA ASN A 119 3.747 -7.417 -0.785 1.00 0.00 C ATOM 712 C ASN A 119 5.250 -7.248 -0.579 1.00 0.00 C ATOM 713 O ASN A 119 5.700 -6.882 0.506 1.00 0.00 O ATOM 714 CB ASN A 119 3.319 -8.830 -0.386 1.00 0.00 C ATOM 715 CG ASN A 119 2.040 -8.837 0.431 1.00 0.00 C ATOM 716 OD1 ASN A 119 1.678 -7.833 1.044 1.00 0.00 O ATOM 717 ND2 ASN A 119 1.354 -9.972 0.445 1.00 0.00 N ATOM 0 H ASN A 119 3.216 -7.983 -2.732 1.00 0.00 H new ATOM 0 HA ASN A 119 3.229 -6.697 -0.151 1.00 0.00 H new ATOM 0 HB2 ASN A 119 3.177 -9.431 -1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 119 4.117 -9.300 0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.488 -10.038 0.979 1.00 0.00 H new ATOM 0 HD22 ASN A 119 1.693 -10.779 -0.079 1.00 0.00 H new ATOM 724 N SER A 120 6.019 -7.516 -1.629 1.00 0.00 N ATOM 725 CA SER A 120 7.470 -7.393 -1.564 1.00 0.00 C ATOM 726 C SER A 120 7.932 -6.090 -2.207 1.00 0.00 C ATOM 727 O SER A 120 7.421 -5.687 -3.252 1.00 0.00 O ATOM 728 CB SER A 120 8.137 -8.582 -2.256 1.00 0.00 C ATOM 729 OG SER A 120 7.493 -9.798 -1.915 1.00 0.00 O ATOM 0 H SER A 120 5.661 -7.820 -2.535 1.00 0.00 H new ATOM 0 HA SER A 120 7.763 -7.384 -0.514 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.107 -8.442 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 120 9.188 -8.631 -1.970 1.00 0.00 H new ATOM 0 HG SER A 120 7.937 -10.543 -2.372 1.00 0.00 H new ATOM 735 N VAL A 121 8.901 -5.438 -1.576 1.00 0.00 N ATOM 736 CA VAL A 121 9.433 -4.178 -2.087 1.00 0.00 C ATOM 737 C VAL A 121 10.956 -4.221 -2.177 1.00 0.00 C ATOM 738 O VAL A 121 11.605 -5.031 -1.515 1.00 0.00 O ATOM 739 CB VAL A 121 9.016 -2.991 -1.197 1.00 0.00 C ATOM 740 CG1 VAL A 121 9.445 -1.674 -1.826 1.00 0.00 C ATOM 741 CG2 VAL A 121 7.514 -3.005 -0.953 1.00 0.00 C ATOM 0 H VAL A 121 9.335 -5.759 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 121 9.016 -4.039 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 121 9.519 -3.091 -0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.142 -0.848 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.529 -1.663 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.973 -1.566 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.240 -2.159 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.990 -2.932 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.235 -3.934 -0.455 1.00 0.00 H new ATOM 751 N CYS A 122 11.519 -3.342 -3.000 1.00 0.00 N ATOM 752 CA CYS A 122 12.964 -3.274 -3.178 1.00 0.00 C ATOM 753 C CYS A 122 13.516 -1.975 -2.599 1.00 0.00 C ATOM 754 O CYS A 122 12.974 -0.898 -2.843 1.00 0.00 O ATOM 755 CB CYS A 122 13.317 -3.382 -4.665 1.00 0.00 C ATOM 756 SG CYS A 122 15.093 -3.194 -5.031 1.00 0.00 S ATOM 0 H CYS A 122 10.995 -2.666 -3.555 1.00 0.00 H new ATOM 0 HA CYS A 122 13.418 -4.109 -2.645 1.00 0.00 H new ATOM 0 HB2 CYS A 122 12.982 -4.351 -5.036 1.00 0.00 H new ATOM 0 HB3 CYS A 122 12.762 -2.621 -5.214 1.00 0.00 H new ATOM 761 N CYS A 123 14.595 -2.082 -1.828 1.00 0.00 N ATOM 762 CA CYS A 123 15.212 -0.913 -1.215 1.00 0.00 C ATOM 763 C CYS A 123 16.726 -0.946 -1.392 1.00 0.00 C ATOM 764 O CYS A 123 17.393 -1.863 -0.918 1.00 0.00 O ATOM 765 CB CYS A 123 14.859 -0.851 0.272 1.00 0.00 C ATOM 766 SG CYS A 123 13.070 -0.923 0.615 1.00 0.00 S ATOM 0 H CYS A 123 15.058 -2.965 -1.614 1.00 0.00 H new ATOM 0 HA CYS A 123 14.827 -0.022 -1.710 1.00 0.00 H new ATOM 0 HB2 CYS A 123 15.350 -1.677 0.786 1.00 0.00 H new ATOM 0 HB3 CYS A 123 15.262 0.071 0.692 1.00 0.00 H new ATOM 771 N GLY A 124 17.262 0.059 -2.075 1.00 0.00 N ATOM 772 CA GLY A 124 18.694 0.118 -2.298 1.00 0.00 C ATOM 773 C GLY A 124 19.116 -0.598 -3.565 1.00 0.00 C ATOM 774 O GLY A 124 20.083 -0.141 -4.205 1.00 0.00 O ATOM 775 OXT GLY A 124 18.480 -1.615 -3.914 1.00 0.00 O ATOM 0 H GLY A 124 16.732 0.832 -2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.007 1.161 -2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 124 19.209 -0.325 -1.446 1.00 0.00 H new TER 779 GLY A 124