USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=9 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= 0.0165 USER MOD Single : A 75 THR OG1 : rot -80:sc= -0.123 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0.512 K(o=0.51,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= -0.129 (180deg=-0.652) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.06 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.0133 K(o=-0.013,f=-3!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 71 17.434 -10.403 0.320 1.00 0.00 N ATOM 2 CA LEU A 71 17.906 -10.820 -0.996 1.00 0.00 C ATOM 3 C LEU A 71 18.267 -9.610 -1.852 1.00 0.00 C ATOM 4 O LEU A 71 17.690 -8.538 -1.699 1.00 0.00 O ATOM 5 CB LEU A 71 16.838 -11.659 -1.701 1.00 0.00 C ATOM 6 CG LEU A 71 17.264 -12.259 -3.041 1.00 0.00 C ATOM 7 CD1 LEU A 71 17.995 -13.576 -2.828 1.00 0.00 C ATOM 8 CD2 LEU A 71 16.055 -12.459 -3.943 1.00 0.00 C ATOM 0 HA LEU A 71 18.802 -11.426 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 71 16.538 -12.469 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 71 15.958 -11.037 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 71 17.946 -11.563 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 71 18.291 -13.988 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.883 -13.405 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 71 17.336 -14.280 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 71 16.376 -12.887 -4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.349 -13.135 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 71 15.572 -11.498 -4.123 1.00 0.00 H new ATOM 20 N SER A 72 19.227 -9.792 -2.753 1.00 0.00 N ATOM 21 CA SER A 72 19.660 -8.713 -3.633 1.00 0.00 C ATOM 22 C SER A 72 18.809 -8.674 -4.899 1.00 0.00 C ATOM 23 O SER A 72 18.716 -9.663 -5.626 1.00 0.00 O ATOM 24 CB SER A 72 21.137 -8.880 -3.999 1.00 0.00 C ATOM 25 OG SER A 72 21.776 -9.806 -3.135 1.00 0.00 O ATOM 0 H SER A 72 19.719 -10.675 -2.893 1.00 0.00 H new ATOM 0 HA SER A 72 19.534 -7.770 -3.100 1.00 0.00 H new ATOM 0 HB2 SER A 72 21.223 -9.222 -5.031 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.641 -7.915 -3.940 1.00 0.00 H new ATOM 0 HG SER A 72 22.718 -9.896 -3.391 1.00 0.00 H new ATOM 31 N CYS A 73 18.187 -7.527 -5.157 1.00 0.00 N ATOM 32 CA CYS A 73 17.343 -7.365 -6.333 1.00 0.00 C ATOM 33 C CYS A 73 17.791 -6.170 -7.170 1.00 0.00 C ATOM 34 O CYS A 73 18.374 -5.219 -6.650 1.00 0.00 O ATOM 35 CB CYS A 73 15.878 -7.197 -5.917 1.00 0.00 C ATOM 36 SG CYS A 73 15.504 -5.611 -5.101 1.00 0.00 S ATOM 0 H CYS A 73 18.253 -6.698 -4.567 1.00 0.00 H new ATOM 0 HA CYS A 73 17.439 -8.263 -6.943 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.248 -7.294 -6.802 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.609 -8.011 -5.243 1.00 0.00 H new ATOM 41 N LEU A 74 17.515 -6.228 -8.469 1.00 0.00 N ATOM 42 CA LEU A 74 17.888 -5.149 -9.379 1.00 0.00 C ATOM 43 C LEU A 74 16.737 -4.164 -9.553 1.00 0.00 C ATOM 44 O LEU A 74 15.637 -4.541 -9.955 1.00 0.00 O ATOM 45 CB LEU A 74 18.297 -5.719 -10.739 1.00 0.00 C ATOM 46 CG LEU A 74 19.734 -6.243 -10.816 1.00 0.00 C ATOM 47 CD1 LEU A 74 19.749 -7.764 -10.842 1.00 0.00 C ATOM 48 CD2 LEU A 74 20.444 -5.681 -12.039 1.00 0.00 C ATOM 0 H LEU A 74 17.035 -7.009 -8.915 1.00 0.00 H new ATOM 0 HA LEU A 74 18.736 -4.618 -8.946 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.616 -6.531 -10.995 1.00 0.00 H new ATOM 0 HB3 LEU A 74 18.168 -4.944 -11.495 1.00 0.00 H new ATOM 0 HG LEU A 74 20.268 -5.910 -9.926 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.779 -8.117 -10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.282 -8.148 -9.935 1.00 0.00 H new ATOM 0 HD13 LEU A 74 19.197 -8.118 -11.713 1.00 0.00 H new ATOM 0 HD21 LEU A 74 21.464 -6.065 -12.076 1.00 0.00 H new ATOM 0 HD22 LEU A 74 19.910 -5.982 -12.940 1.00 0.00 H new ATOM 0 HD23 LEU A 74 20.468 -4.593 -11.978 1.00 0.00 H new ATOM 60 N THR A 75 17.003 -2.900 -9.247 1.00 0.00 N ATOM 61 CA THR A 75 15.995 -1.853 -9.368 1.00 0.00 C ATOM 62 C THR A 75 15.641 -1.611 -10.831 1.00 0.00 C ATOM 63 O THR A 75 16.362 -2.045 -11.729 1.00 0.00 O ATOM 64 CB THR A 75 16.504 -0.557 -8.732 1.00 0.00 C ATOM 65 OG1 THR A 75 17.885 -0.376 -8.998 1.00 0.00 O ATOM 66 CG2 THR A 75 16.311 -0.512 -7.230 1.00 0.00 C ATOM 0 H THR A 75 17.910 -2.574 -8.913 1.00 0.00 H new ATOM 0 HA THR A 75 15.096 -2.179 -8.844 1.00 0.00 H new ATOM 0 HB THR A 75 15.910 0.239 -9.181 1.00 0.00 H new ATOM 0 HG1 THR A 75 18.412 -0.929 -8.383 1.00 0.00 H new ATOM 0 HG21 THR A 75 16.693 0.432 -6.842 1.00 0.00 H new ATOM 0 HG22 THR A 75 15.250 -0.598 -6.997 1.00 0.00 H new ATOM 0 HG23 THR A 75 16.852 -1.339 -6.769 1.00 0.00 H new ATOM 74 N PRO A 76 14.523 -0.911 -11.098 1.00 0.00 N ATOM 75 CA PRO A 76 14.087 -0.614 -12.465 1.00 0.00 C ATOM 76 C PRO A 76 15.207 0.003 -13.299 1.00 0.00 C ATOM 77 O PRO A 76 15.217 -0.112 -14.525 1.00 0.00 O ATOM 78 CB PRO A 76 12.936 0.389 -12.279 1.00 0.00 C ATOM 79 CG PRO A 76 12.983 0.797 -10.843 1.00 0.00 C ATOM 80 CD PRO A 76 13.599 -0.353 -10.103 1.00 0.00 C ATOM 0 HA PRO A 76 13.788 -1.515 -13.001 1.00 0.00 H new ATOM 0 HB2 PRO A 76 13.058 1.251 -12.935 1.00 0.00 H new ATOM 0 HB3 PRO A 76 11.977 -0.066 -12.526 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.574 1.704 -10.715 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.983 1.012 -10.466 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.120 -0.025 -9.204 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.851 -1.082 -9.790 1.00 0.00 H new ATOM 88 N ASP A 77 16.151 0.652 -12.623 1.00 0.00 N ATOM 89 CA ASP A 77 17.281 1.281 -13.299 1.00 0.00 C ATOM 90 C ASP A 77 18.502 0.360 -13.304 1.00 0.00 C ATOM 91 O ASP A 77 19.599 0.774 -13.680 1.00 0.00 O ATOM 92 CB ASP A 77 17.629 2.609 -12.621 1.00 0.00 C ATOM 93 CG ASP A 77 17.302 3.806 -13.492 1.00 0.00 C ATOM 94 OD1 ASP A 77 16.282 3.756 -14.210 1.00 0.00 O ATOM 95 OD2 ASP A 77 18.066 4.794 -13.457 1.00 0.00 O ATOM 0 H ASP A 77 16.156 0.756 -11.608 1.00 0.00 H new ATOM 0 HA ASP A 77 16.993 1.471 -14.333 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.083 2.688 -11.681 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.691 2.621 -12.375 1.00 0.00 H new ATOM 100 N ASN A 78 18.305 -0.890 -12.889 1.00 0.00 N ATOM 101 CA ASN A 78 19.386 -1.869 -12.847 1.00 0.00 C ATOM 102 C ASN A 78 20.458 -1.465 -11.839 1.00 0.00 C ATOM 103 O ASN A 78 21.653 -1.575 -12.109 1.00 0.00 O ATOM 104 CB ASN A 78 20.006 -2.038 -14.237 1.00 0.00 C ATOM 105 CG ASN A 78 19.348 -3.149 -15.031 1.00 0.00 C ATOM 106 OD1 ASN A 78 18.122 -3.269 -15.055 1.00 0.00 O ATOM 107 ND2 ASN A 78 20.161 -3.969 -15.687 1.00 0.00 N ATOM 0 H ASN A 78 17.403 -1.248 -12.576 1.00 0.00 H new ATOM 0 HA ASN A 78 18.963 -2.822 -12.529 1.00 0.00 H new ATOM 0 HB2 ASN A 78 19.919 -1.101 -14.787 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.070 -2.250 -14.134 1.00 0.00 H new ATOM 0 HD21 ASN A 78 19.776 -4.735 -16.239 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.171 -3.832 -15.639 1.00 0.00 H new ATOM 114 N LYS A 79 20.018 -1.010 -10.672 1.00 0.00 N ATOM 115 CA LYS A 79 20.937 -0.603 -9.616 1.00 0.00 C ATOM 116 C LYS A 79 20.953 -1.643 -8.499 1.00 0.00 C ATOM 117 O LYS A 79 19.925 -1.906 -7.874 1.00 0.00 O ATOM 118 CB LYS A 79 20.535 0.761 -9.052 1.00 0.00 C ATOM 119 CG LYS A 79 21.677 1.494 -8.363 1.00 0.00 C ATOM 120 CD LYS A 79 21.996 2.812 -9.052 1.00 0.00 C ATOM 121 CE LYS A 79 23.456 3.193 -8.876 1.00 0.00 C ATOM 122 NZ LYS A 79 23.669 4.033 -7.664 1.00 0.00 N ATOM 0 H LYS A 79 19.031 -0.914 -10.433 1.00 0.00 H new ATOM 0 HA LYS A 79 21.937 -0.525 -10.042 1.00 0.00 H new ATOM 0 HB2 LYS A 79 20.152 1.382 -9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 79 19.720 0.625 -8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 79 21.413 1.682 -7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 79 22.565 0.862 -8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 79 21.765 2.734 -10.114 1.00 0.00 H new ATOM 0 HD3 LYS A 79 21.362 3.599 -8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 79 24.061 2.289 -8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 79 23.799 3.734 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 24.678 4.272 -7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 23.112 4.908 -7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 23.366 3.507 -6.819 1.00 0.00 H new ATOM 136 N PRO A 80 22.118 -2.263 -8.231 1.00 0.00 N ATOM 137 CA PRO A 80 22.240 -3.280 -7.186 1.00 0.00 C ATOM 138 C PRO A 80 21.643 -2.823 -5.860 1.00 0.00 C ATOM 139 O PRO A 80 22.052 -1.806 -5.298 1.00 0.00 O ATOM 140 CB PRO A 80 23.746 -3.477 -7.049 1.00 0.00 C ATOM 141 CG PRO A 80 24.304 -3.095 -8.376 1.00 0.00 C ATOM 142 CD PRO A 80 23.399 -2.022 -8.923 1.00 0.00 C ATOM 0 HA PRO A 80 21.701 -4.191 -7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 80 24.155 -2.854 -6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 80 23.988 -4.510 -6.801 1.00 0.00 H new ATOM 0 HG2 PRO A 80 25.326 -2.729 -8.277 1.00 0.00 H new ATOM 0 HG3 PRO A 80 24.337 -3.954 -9.046 1.00 0.00 H new ATOM 0 HD2 PRO A 80 23.787 -1.025 -8.713 1.00 0.00 H new ATOM 0 HD3 PRO A 80 23.291 -2.101 -10.005 1.00 0.00 H new ATOM 150 N GLY A 81 20.676 -3.584 -5.369 1.00 0.00 N ATOM 151 CA GLY A 81 20.032 -3.250 -4.112 1.00 0.00 C ATOM 152 C GLY A 81 19.592 -4.479 -3.343 1.00 0.00 C ATOM 153 O GLY A 81 20.137 -5.566 -3.532 1.00 0.00 O ATOM 0 H GLY A 81 20.324 -4.429 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 81 20.719 -2.668 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.166 -2.618 -4.308 1.00 0.00 H new ATOM 157 N LYS A 82 18.604 -4.305 -2.473 1.00 0.00 N ATOM 158 CA LYS A 82 18.092 -5.411 -1.673 1.00 0.00 C ATOM 159 C LYS A 82 16.566 -5.427 -1.680 1.00 0.00 C ATOM 160 O LYS A 82 15.925 -4.384 -1.804 1.00 0.00 O ATOM 161 CB LYS A 82 18.607 -5.308 -0.235 1.00 0.00 C ATOM 162 CG LYS A 82 19.888 -6.089 0.008 1.00 0.00 C ATOM 163 CD LYS A 82 20.027 -6.495 1.466 1.00 0.00 C ATOM 164 CE LYS A 82 21.032 -5.620 2.197 1.00 0.00 C ATOM 165 NZ LYS A 82 20.570 -5.268 3.568 1.00 0.00 N ATOM 0 H LYS A 82 18.143 -3.411 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 82 18.449 -6.342 -2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.779 -4.259 0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.836 -5.669 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.897 -6.979 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.745 -5.483 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.057 -6.425 1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.340 -7.537 1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.988 -6.140 2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 82 21.201 -4.707 1.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.284 -4.671 4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.670 -4.750 3.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 20.433 -6.137 4.122 1.00 0.00 H new ATOM 179 N CYS A 83 15.994 -6.619 -1.543 1.00 0.00 N ATOM 180 CA CYS A 83 14.545 -6.775 -1.532 1.00 0.00 C ATOM 181 C CYS A 83 14.056 -7.156 -0.137 1.00 0.00 C ATOM 182 O CYS A 83 14.526 -8.131 0.451 1.00 0.00 O ATOM 183 CB CYS A 83 14.118 -7.836 -2.549 1.00 0.00 C ATOM 184 SG CYS A 83 12.335 -8.218 -2.533 1.00 0.00 S ATOM 0 H CYS A 83 16.513 -7.491 -1.438 1.00 0.00 H new ATOM 0 HA CYS A 83 14.095 -5.822 -1.808 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.396 -7.498 -3.547 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.676 -8.752 -2.356 1.00 0.00 H new ATOM 189 N VAL A 84 13.109 -6.380 0.381 1.00 0.00 N ATOM 190 CA VAL A 84 12.551 -6.632 1.703 1.00 0.00 C ATOM 191 C VAL A 84 11.052 -6.359 1.723 1.00 0.00 C ATOM 192 O VAL A 84 10.537 -5.611 0.892 1.00 0.00 O ATOM 193 CB VAL A 84 13.234 -5.763 2.778 1.00 0.00 C ATOM 194 CG1 VAL A 84 14.624 -6.294 3.090 1.00 0.00 C ATOM 195 CG2 VAL A 84 13.298 -4.311 2.328 1.00 0.00 C ATOM 0 H VAL A 84 12.712 -5.571 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 84 12.732 -7.683 1.929 1.00 0.00 H new ATOM 0 HB VAL A 84 12.639 -5.811 3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.090 -5.668 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.548 -7.317 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.231 -6.278 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.783 -3.712 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.869 -4.242 1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.288 -3.937 2.160 1.00 0.00 H new ATOM 205 N ASN A 85 10.354 -6.971 2.673 1.00 0.00 N ATOM 206 CA ASN A 85 8.910 -6.796 2.799 1.00 0.00 C ATOM 207 C ASN A 85 8.540 -5.319 2.898 1.00 0.00 C ATOM 208 O ASN A 85 9.412 -4.450 2.923 1.00 0.00 O ATOM 209 CB ASN A 85 8.389 -7.546 4.026 1.00 0.00 C ATOM 210 CG ASN A 85 8.454 -9.051 3.856 1.00 0.00 C ATOM 211 OD1 ASN A 85 9.248 -9.727 4.511 1.00 0.00 O ATOM 212 ND2 ASN A 85 7.617 -9.584 2.973 1.00 0.00 N ATOM 0 H ASN A 85 10.765 -7.594 3.369 1.00 0.00 H new ATOM 0 HA ASN A 85 8.444 -7.207 1.903 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.973 -7.257 4.900 1.00 0.00 H new ATOM 0 HB3 ASN A 85 7.358 -7.249 4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.615 -10.592 2.816 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.976 -8.985 2.452 1.00 0.00 H new ATOM 219 N ILE A 86 7.242 -5.043 2.952 1.00 0.00 N ATOM 220 CA ILE A 86 6.751 -3.672 3.048 1.00 0.00 C ATOM 221 C ILE A 86 6.824 -3.149 4.482 1.00 0.00 C ATOM 222 O ILE A 86 6.480 -1.998 4.749 1.00 0.00 O ATOM 223 CB ILE A 86 5.298 -3.567 2.541 1.00 0.00 C ATOM 224 CG1 ILE A 86 4.333 -4.269 3.504 1.00 0.00 C ATOM 225 CG2 ILE A 86 5.191 -4.167 1.149 1.00 0.00 C ATOM 226 CD1 ILE A 86 3.316 -3.336 4.126 1.00 0.00 C ATOM 0 H ILE A 86 6.509 -5.752 2.931 1.00 0.00 H new ATOM 0 HA ILE A 86 7.397 -3.060 2.418 1.00 0.00 H new ATOM 0 HB ILE A 86 5.021 -2.514 2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.809 -5.060 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.908 -4.748 4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.162 -4.089 0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.849 -3.627 0.468 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.485 -5.216 1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.667 -3.900 4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.832 -2.559 4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.716 -2.876 3.341 1.00 0.00 H new ATOM 238 N LYS A 87 7.273 -4.001 5.397 1.00 0.00 N ATOM 239 CA LYS A 87 7.393 -3.623 6.801 1.00 0.00 C ATOM 240 C LYS A 87 8.858 -3.497 7.207 1.00 0.00 C ATOM 241 O LYS A 87 9.196 -3.587 8.388 1.00 0.00 O ATOM 242 CB LYS A 87 6.690 -4.652 7.690 1.00 0.00 C ATOM 243 CG LYS A 87 5.180 -4.483 7.738 1.00 0.00 C ATOM 244 CD LYS A 87 4.472 -5.827 7.801 1.00 0.00 C ATOM 245 CE LYS A 87 2.987 -5.660 8.079 1.00 0.00 C ATOM 246 NZ LYS A 87 2.739 -4.944 9.361 1.00 0.00 N ATOM 0 H LYS A 87 7.560 -4.958 5.192 1.00 0.00 H new ATOM 0 HA LYS A 87 6.914 -2.653 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.924 -5.653 7.328 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.088 -4.578 8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.907 -3.885 8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.846 -3.935 6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.610 -6.357 6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.923 -6.441 8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.524 -5.109 7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.512 -6.640 8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.776 -5.153 9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.428 -5.259 10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.839 -3.920 9.212 1.00 0.00 H new ATOM 260 N LYS A 88 9.720 -3.287 6.219 1.00 0.00 N ATOM 261 CA LYS A 88 11.150 -3.147 6.467 1.00 0.00 C ATOM 262 C LYS A 88 11.731 -1.995 5.651 1.00 0.00 C ATOM 263 O LYS A 88 12.584 -1.249 6.132 1.00 0.00 O ATOM 264 CB LYS A 88 11.880 -4.448 6.125 1.00 0.00 C ATOM 265 CG LYS A 88 13.307 -4.500 6.646 1.00 0.00 C ATOM 266 CD LYS A 88 13.547 -5.732 7.503 1.00 0.00 C ATOM 267 CE LYS A 88 14.892 -5.667 8.209 1.00 0.00 C ATOM 268 NZ LYS A 88 16.026 -5.852 7.262 1.00 0.00 N ATOM 0 H LYS A 88 9.453 -3.210 5.238 1.00 0.00 H new ATOM 0 HA LYS A 88 11.291 -2.929 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.321 -5.288 6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.892 -4.574 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.002 -4.500 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.514 -3.604 7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.751 -5.823 8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.506 -6.624 6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.992 -4.705 8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.934 -6.436 8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.925 -5.801 7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.945 -6.781 6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.001 -5.104 6.540 1.00 0.00 H new ATOM 282 N CYS A 89 11.262 -1.856 4.414 1.00 0.00 N ATOM 283 CA CYS A 89 11.735 -0.793 3.533 1.00 0.00 C ATOM 284 C CYS A 89 11.521 0.579 4.169 1.00 0.00 C ATOM 285 O CYS A 89 10.388 0.989 4.420 1.00 0.00 O ATOM 286 CB CYS A 89 11.014 -0.862 2.184 1.00 0.00 C ATOM 287 SG CYS A 89 11.995 -1.626 0.854 1.00 0.00 S ATOM 0 H CYS A 89 10.556 -2.465 4.000 1.00 0.00 H new ATOM 0 HA CYS A 89 12.804 -0.936 3.374 1.00 0.00 H new ATOM 0 HB2 CYS A 89 10.089 -1.425 2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 89 10.735 0.147 1.881 1.00 0.00 H new ATOM 292 N THR A 90 12.620 1.282 4.427 1.00 0.00 N ATOM 293 CA THR A 90 12.555 2.607 5.035 1.00 0.00 C ATOM 294 C THR A 90 11.876 3.603 4.100 1.00 0.00 C ATOM 295 O THR A 90 11.214 4.538 4.550 1.00 0.00 O ATOM 296 CB THR A 90 13.959 3.097 5.390 1.00 0.00 C ATOM 297 OG1 THR A 90 14.916 2.573 4.488 1.00 0.00 O ATOM 298 CG2 THR A 90 14.390 2.715 6.789 1.00 0.00 C ATOM 0 H THR A 90 13.565 0.957 4.225 1.00 0.00 H new ATOM 0 HA THR A 90 11.963 2.532 5.947 1.00 0.00 H new ATOM 0 HB THR A 90 13.910 4.184 5.326 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.808 2.899 4.731 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.395 3.093 6.976 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.699 3.147 7.513 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.387 1.629 6.887 1.00 0.00 H new ATOM 306 N HIS A 91 12.046 3.398 2.800 1.00 0.00 N ATOM 307 CA HIS A 91 11.450 4.278 1.802 1.00 0.00 C ATOM 308 C HIS A 91 9.931 4.299 1.929 1.00 0.00 C ATOM 309 O HIS A 91 9.295 5.332 1.724 1.00 0.00 O ATOM 310 CB HIS A 91 11.849 3.834 0.393 1.00 0.00 C ATOM 311 CG HIS A 91 13.182 4.357 -0.043 1.00 0.00 C ATOM 312 ND1 HIS A 91 13.412 5.686 -0.331 1.00 0.00 N ATOM 313 CD2 HIS A 91 14.363 3.721 -0.239 1.00 0.00 C ATOM 314 CE1 HIS A 91 14.676 5.845 -0.686 1.00 0.00 C ATOM 315 NE2 HIS A 91 15.273 4.668 -0.638 1.00 0.00 N ATOM 0 H HIS A 91 12.592 2.629 2.411 1.00 0.00 H new ATOM 0 HA HIS A 91 11.825 5.286 1.977 1.00 0.00 H new ATOM 0 HB2 HIS A 91 11.865 2.745 0.355 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.088 4.167 -0.313 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.553 2.666 -0.106 1.00 0.00 H new ATOM 0 HE1 HIS A 91 15.141 6.778 -0.967 1.00 0.00 H new ATOM 0 HE2 HIS A 91 16.252 4.491 -0.861 1.00 0.00 H new ATOM 324 N LEU A 92 9.356 3.152 2.272 1.00 0.00 N ATOM 325 CA LEU A 92 7.911 3.037 2.429 1.00 0.00 C ATOM 326 C LEU A 92 7.432 3.839 3.633 1.00 0.00 C ATOM 327 O LEU A 92 6.391 4.493 3.585 1.00 0.00 O ATOM 328 CB LEU A 92 7.507 1.568 2.580 1.00 0.00 C ATOM 329 CG LEU A 92 6.334 1.125 1.705 1.00 0.00 C ATOM 330 CD1 LEU A 92 5.088 1.932 2.034 1.00 0.00 C ATOM 331 CD2 LEU A 92 6.689 1.263 0.232 1.00 0.00 C ATOM 0 H LEU A 92 9.869 2.288 2.447 1.00 0.00 H new ATOM 0 HA LEU A 92 7.438 3.443 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.370 0.944 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.252 1.383 3.623 1.00 0.00 H new ATOM 0 HG LEU A 92 6.125 0.075 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.264 1.603 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.824 1.783 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.282 2.990 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.844 0.944 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.923 2.304 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.555 0.640 0.006 1.00 0.00 H new ATOM 343 N ALA A 93 8.204 3.785 4.714 1.00 0.00 N ATOM 344 CA ALA A 93 7.866 4.505 5.934 1.00 0.00 C ATOM 345 C ALA A 93 7.905 6.013 5.710 1.00 0.00 C ATOM 346 O ALA A 93 7.130 6.760 6.308 1.00 0.00 O ATOM 347 CB ALA A 93 8.812 4.112 7.058 1.00 0.00 C ATOM 0 H ALA A 93 9.070 3.248 4.768 1.00 0.00 H new ATOM 0 HA ALA A 93 6.850 4.232 6.218 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.548 4.658 7.964 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.732 3.041 7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.836 4.355 6.774 1.00 0.00 H new ATOM 353 N GLU A 94 8.813 6.454 4.846 1.00 0.00 N ATOM 354 CA GLU A 94 8.954 7.874 4.542 1.00 0.00 C ATOM 355 C GLU A 94 7.724 8.399 3.813 1.00 0.00 C ATOM 356 O GLU A 94 7.250 9.503 4.085 1.00 0.00 O ATOM 357 CB GLU A 94 10.204 8.114 3.696 1.00 0.00 C ATOM 358 CG GLU A 94 11.451 8.404 4.517 1.00 0.00 C ATOM 359 CD GLU A 94 11.404 9.762 5.188 1.00 0.00 C ATOM 360 OE1 GLU A 94 11.534 10.780 4.477 1.00 0.00 O ATOM 361 OE2 GLU A 94 11.238 9.808 6.426 1.00 0.00 O ATOM 0 H GLU A 94 9.462 5.849 4.344 1.00 0.00 H new ATOM 0 HA GLU A 94 9.053 8.413 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.385 7.237 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.021 8.951 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.569 7.631 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.327 8.352 3.871 1.00 0.00 H new ATOM 368 N ILE A 95 7.209 7.600 2.886 1.00 0.00 N ATOM 369 CA ILE A 95 6.032 7.979 2.115 1.00 0.00 C ATOM 370 C ILE A 95 4.792 8.037 3.003 1.00 0.00 C ATOM 371 O ILE A 95 3.912 8.874 2.802 1.00 0.00 O ATOM 372 CB ILE A 95 5.778 6.997 0.955 1.00 0.00 C ATOM 373 CG1 ILE A 95 7.041 6.839 0.106 1.00 0.00 C ATOM 374 CG2 ILE A 95 4.616 7.475 0.097 1.00 0.00 C ATOM 375 CD1 ILE A 95 7.058 5.576 -0.726 1.00 0.00 C ATOM 0 H ILE A 95 7.589 6.683 2.650 1.00 0.00 H new ATOM 0 HA ILE A 95 6.227 8.969 1.703 1.00 0.00 H new ATOM 0 HB ILE A 95 5.518 6.025 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.134 7.701 -0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.912 6.844 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.451 6.770 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.716 7.541 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.848 8.457 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.983 5.532 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.997 4.707 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.207 5.577 -1.407 1.00 0.00 H new ATOM 387 N GLU A 96 4.733 7.143 3.984 1.00 0.00 N ATOM 388 CA GLU A 96 3.603 7.092 4.903 1.00 0.00 C ATOM 389 C GLU A 96 3.570 8.330 5.793 1.00 0.00 C ATOM 390 O GLU A 96 2.500 8.803 6.177 1.00 0.00 O ATOM 391 CB GLU A 96 3.676 5.830 5.765 1.00 0.00 C ATOM 392 CG GLU A 96 3.212 4.575 5.045 1.00 0.00 C ATOM 393 CD GLU A 96 1.704 4.505 4.907 1.00 0.00 C ATOM 394 OE1 GLU A 96 1.147 5.265 4.089 1.00 0.00 O ATOM 395 OE2 GLU A 96 1.081 3.691 5.620 1.00 0.00 O ATOM 0 H GLU A 96 5.454 6.444 4.163 1.00 0.00 H new ATOM 0 HA GLU A 96 2.687 7.067 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.703 5.688 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.067 5.974 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.666 4.540 4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.564 3.698 5.588 1.00 0.00 H new ATOM 402 N GLU A 97 4.749 8.849 6.119 1.00 0.00 N ATOM 403 CA GLU A 97 4.855 10.033 6.964 1.00 0.00 C ATOM 404 C GLU A 97 4.746 11.307 6.133 1.00 0.00 C ATOM 405 O GLU A 97 4.231 12.324 6.601 1.00 0.00 O ATOM 406 CB GLU A 97 6.180 10.022 7.730 1.00 0.00 C ATOM 407 CG GLU A 97 6.071 10.572 9.142 1.00 0.00 C ATOM 408 CD GLU A 97 7.271 11.410 9.536 1.00 0.00 C ATOM 409 OE1 GLU A 97 7.446 12.503 8.958 1.00 0.00 O ATOM 410 OE2 GLU A 97 8.036 10.973 10.421 1.00 0.00 O ATOM 0 H GLU A 97 5.644 8.469 5.811 1.00 0.00 H new ATOM 0 HA GLU A 97 4.031 10.014 7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.555 9.000 7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.915 10.607 7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.168 11.177 9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.965 9.744 9.843 1.00 0.00 H new ATOM 417 N ASP A 98 5.234 11.247 4.898 1.00 0.00 N ATOM 418 CA ASP A 98 5.190 12.396 4.002 1.00 0.00 C ATOM 419 C ASP A 98 3.832 12.498 3.313 1.00 0.00 C ATOM 420 O ASP A 98 3.086 11.520 3.244 1.00 0.00 O ATOM 421 CB ASP A 98 6.299 12.294 2.955 1.00 0.00 C ATOM 422 CG ASP A 98 7.576 12.981 3.396 1.00 0.00 C ATOM 423 OD1 ASP A 98 7.975 12.799 4.566 1.00 0.00 O ATOM 424 OD2 ASP A 98 8.179 13.702 2.572 1.00 0.00 O ATOM 0 H ASP A 98 5.664 10.415 4.495 1.00 0.00 H new ATOM 0 HA ASP A 98 5.343 13.296 4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.507 11.244 2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.955 12.738 2.021 1.00 0.00 H new ATOM 429 N PRO A 99 3.489 13.689 2.792 1.00 0.00 N ATOM 430 CA PRO A 99 2.213 13.914 2.105 1.00 0.00 C ATOM 431 C PRO A 99 1.979 12.914 0.979 1.00 0.00 C ATOM 432 O PRO A 99 2.735 11.955 0.818 1.00 0.00 O ATOM 433 CB PRO A 99 2.353 15.331 1.543 1.00 0.00 C ATOM 434 CG PRO A 99 3.363 15.990 2.415 1.00 0.00 C ATOM 435 CD PRO A 99 4.319 14.908 2.831 1.00 0.00 C ATOM 0 HA PRO A 99 1.363 13.792 2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.680 15.313 0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.402 15.862 1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.882 16.785 1.879 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.890 16.448 3.284 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.168 14.838 2.151 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.722 15.089 3.827 1.00 0.00 H new ATOM 443 N ILE A 100 0.927 13.143 0.199 1.00 0.00 N ATOM 444 CA ILE A 100 0.592 12.263 -0.913 1.00 0.00 C ATOM 445 C ILE A 100 1.330 12.679 -2.182 1.00 0.00 C ATOM 446 O ILE A 100 2.100 13.639 -2.178 1.00 0.00 O ATOM 447 CB ILE A 100 -0.922 12.259 -1.191 1.00 0.00 C ATOM 448 CG1 ILE A 100 -1.430 13.686 -1.406 1.00 0.00 C ATOM 449 CG2 ILE A 100 -1.671 11.593 -0.046 1.00 0.00 C ATOM 450 CD1 ILE A 100 -2.585 13.778 -2.378 1.00 0.00 C ATOM 0 H ILE A 100 0.292 13.932 0.318 1.00 0.00 H new ATOM 0 HA ILE A 100 0.902 11.258 -0.627 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.105 11.688 -2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.740 14.101 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.609 14.304 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.740 11.599 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.328 10.564 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.482 12.139 0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.892 14.819 -2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.274 13.394 -3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.422 13.188 -2.005 1.00 0.00 H new ATOM 462 N GLY A 101 1.089 11.948 -3.265 1.00 0.00 N ATOM 463 CA GLY A 101 1.738 12.256 -4.526 1.00 0.00 C ATOM 464 C GLY A 101 1.767 11.069 -5.469 1.00 0.00 C ATOM 465 O GLY A 101 2.157 9.967 -5.079 1.00 0.00 O ATOM 0 H GLY A 101 0.456 11.148 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 101 1.217 13.085 -5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 101 2.758 12.589 -4.334 1.00 0.00 H new ATOM 469 N GLU A 102 1.352 11.291 -6.712 1.00 0.00 N ATOM 470 CA GLU A 102 1.332 10.231 -7.713 1.00 0.00 C ATOM 471 C GLU A 102 2.733 9.674 -7.947 1.00 0.00 C ATOM 472 O GLU A 102 2.898 8.499 -8.271 1.00 0.00 O ATOM 473 CB GLU A 102 0.745 10.753 -9.027 1.00 0.00 C ATOM 474 CG GLU A 102 -0.469 9.973 -9.504 1.00 0.00 C ATOM 475 CD GLU A 102 -1.723 10.311 -8.722 1.00 0.00 C ATOM 476 OE1 GLU A 102 -1.620 10.512 -7.493 1.00 0.00 O ATOM 477 OE2 GLU A 102 -2.807 10.376 -9.339 1.00 0.00 O ATOM 0 H GLU A 102 1.025 12.196 -7.050 1.00 0.00 H new ATOM 0 HA GLU A 102 0.702 9.424 -7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.467 11.799 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.515 10.718 -9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.637 10.180 -10.561 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.268 8.905 -9.417 1.00 0.00 H new ATOM 484 N ASP A 103 3.739 10.528 -7.783 1.00 0.00 N ATOM 485 CA ASP A 103 5.125 10.121 -7.978 1.00 0.00 C ATOM 486 C ASP A 103 5.528 9.056 -6.961 1.00 0.00 C ATOM 487 O ASP A 103 6.393 8.221 -7.229 1.00 0.00 O ATOM 488 CB ASP A 103 6.055 11.331 -7.864 1.00 0.00 C ATOM 489 CG ASP A 103 6.412 11.914 -9.218 1.00 0.00 C ATOM 490 OD1 ASP A 103 6.931 11.164 -10.071 1.00 0.00 O ATOM 491 OD2 ASP A 103 6.171 13.122 -9.425 1.00 0.00 O ATOM 0 H ASP A 103 3.620 11.505 -7.516 1.00 0.00 H new ATOM 0 HA ASP A 103 5.216 9.695 -8.977 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.576 12.098 -7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.968 11.037 -7.346 1.00 0.00 H new ATOM 496 N GLU A 104 4.895 9.088 -5.793 1.00 0.00 N ATOM 497 CA GLU A 104 5.187 8.121 -4.742 1.00 0.00 C ATOM 498 C GLU A 104 4.574 6.765 -5.070 1.00 0.00 C ATOM 499 O GLU A 104 5.142 5.720 -4.751 1.00 0.00 O ATOM 500 CB GLU A 104 4.662 8.623 -3.394 1.00 0.00 C ATOM 501 CG GLU A 104 5.723 9.296 -2.541 1.00 0.00 C ATOM 502 CD GLU A 104 6.045 10.701 -3.011 1.00 0.00 C ATOM 503 OE1 GLU A 104 5.881 10.976 -4.217 1.00 0.00 O ATOM 504 OE2 GLU A 104 6.458 11.528 -2.170 1.00 0.00 O ATOM 0 H GLU A 104 4.178 9.772 -5.551 1.00 0.00 H new ATOM 0 HA GLU A 104 6.269 8.005 -4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.849 9.327 -3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.242 7.783 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.383 9.332 -1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.632 8.694 -2.557 1.00 0.00 H new ATOM 511 N THR A 105 3.410 6.790 -5.711 1.00 0.00 N ATOM 512 CA THR A 105 2.717 5.563 -6.085 1.00 0.00 C ATOM 513 C THR A 105 3.406 4.887 -7.265 1.00 0.00 C ATOM 514 O THR A 105 3.461 3.660 -7.344 1.00 0.00 O ATOM 515 CB THR A 105 1.259 5.864 -6.435 1.00 0.00 C ATOM 516 OG1 THR A 105 0.612 6.528 -5.362 1.00 0.00 O ATOM 517 CG2 THR A 105 0.454 4.623 -6.757 1.00 0.00 C ATOM 0 H THR A 105 2.927 7.647 -5.982 1.00 0.00 H new ATOM 0 HA THR A 105 2.747 4.884 -5.233 1.00 0.00 H new ATOM 0 HB THR A 105 1.299 6.494 -7.323 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.319 6.713 -5.606 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.571 4.906 -6.996 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.898 4.113 -7.611 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.454 3.956 -5.895 1.00 0.00 H new ATOM 525 N THR A 106 3.930 5.695 -8.181 1.00 0.00 N ATOM 526 CA THR A 106 4.616 5.173 -9.356 1.00 0.00 C ATOM 527 C THR A 106 5.972 4.586 -8.973 1.00 0.00 C ATOM 528 O THR A 106 6.426 3.608 -9.568 1.00 0.00 O ATOM 529 CB THR A 106 4.786 6.273 -10.412 1.00 0.00 C ATOM 530 OG1 THR A 106 5.059 5.708 -11.682 1.00 0.00 O ATOM 531 CG2 THR A 106 5.896 7.254 -10.100 1.00 0.00 C ATOM 0 H THR A 106 3.892 6.713 -8.132 1.00 0.00 H new ATOM 0 HA THR A 106 4.006 4.376 -9.782 1.00 0.00 H new ATOM 0 HB THR A 106 3.841 6.816 -10.409 1.00 0.00 H new ATOM 0 HG1 THR A 106 5.163 6.424 -12.343 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.955 8.001 -10.892 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.689 7.747 -9.150 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.844 6.721 -10.033 1.00 0.00 H new ATOM 539 N TYR A 107 6.612 5.188 -7.977 1.00 0.00 N ATOM 540 CA TYR A 107 7.913 4.723 -7.513 1.00 0.00 C ATOM 541 C TYR A 107 7.789 3.376 -6.808 1.00 0.00 C ATOM 542 O TYR A 107 8.684 2.536 -6.887 1.00 0.00 O ATOM 543 CB TYR A 107 8.540 5.753 -6.571 1.00 0.00 C ATOM 544 CG TYR A 107 9.575 6.633 -7.237 1.00 0.00 C ATOM 545 CD1 TYR A 107 10.554 6.088 -8.058 1.00 0.00 C ATOM 546 CD2 TYR A 107 9.574 8.009 -7.041 1.00 0.00 C ATOM 547 CE1 TYR A 107 11.501 6.889 -8.667 1.00 0.00 C ATOM 548 CE2 TYR A 107 10.518 8.816 -7.647 1.00 0.00 C ATOM 549 CZ TYR A 107 11.479 8.252 -8.457 1.00 0.00 C ATOM 550 OH TYR A 107 12.420 9.053 -9.062 1.00 0.00 O ATOM 0 H TYR A 107 6.251 5.999 -7.475 1.00 0.00 H new ATOM 0 HA TYR A 107 8.559 4.598 -8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.752 6.382 -6.158 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.003 5.232 -5.733 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.575 5.021 -8.223 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.823 8.455 -6.405 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.255 6.450 -9.304 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.502 9.884 -7.486 1.00 0.00 H new ATOM 0 HH TYR A 107 12.264 9.988 -8.812 1.00 0.00 H new ATOM 560 N LEU A 108 6.670 3.178 -6.116 1.00 0.00 N ATOM 561 CA LEU A 108 6.427 1.933 -5.397 1.00 0.00 C ATOM 562 C LEU A 108 6.139 0.793 -6.365 1.00 0.00 C ATOM 563 O LEU A 108 6.569 -0.341 -6.153 1.00 0.00 O ATOM 564 CB LEU A 108 5.257 2.099 -4.425 1.00 0.00 C ATOM 565 CG LEU A 108 4.877 0.837 -3.648 1.00 0.00 C ATOM 566 CD1 LEU A 108 6.090 0.269 -2.926 1.00 0.00 C ATOM 567 CD2 LEU A 108 3.759 1.135 -2.660 1.00 0.00 C ATOM 0 H LEU A 108 5.919 3.864 -6.039 1.00 0.00 H new ATOM 0 HA LEU A 108 7.327 1.689 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.505 2.885 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.385 2.439 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 108 4.519 0.091 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.801 -0.628 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.862 0.017 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.478 1.011 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.502 0.226 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.090 1.898 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.883 1.495 -3.200 1.00 0.00 H new ATOM 579 N LYS A 109 5.409 1.102 -7.432 1.00 0.00 N ATOM 580 CA LYS A 109 5.062 0.106 -8.438 1.00 0.00 C ATOM 581 C LYS A 109 6.286 -0.292 -9.259 1.00 0.00 C ATOM 582 O LYS A 109 6.376 -1.418 -9.748 1.00 0.00 O ATOM 583 CB LYS A 109 3.966 0.644 -9.362 1.00 0.00 C ATOM 584 CG LYS A 109 2.664 0.955 -8.646 1.00 0.00 C ATOM 585 CD LYS A 109 1.721 1.758 -9.529 1.00 0.00 C ATOM 586 CE LYS A 109 0.267 1.396 -9.272 1.00 0.00 C ATOM 587 NZ LYS A 109 -0.431 0.982 -10.521 1.00 0.00 N ATOM 0 H LYS A 109 5.046 2.036 -7.622 1.00 0.00 H new ATOM 0 HA LYS A 109 4.691 -0.780 -7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.327 1.549 -9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 109 3.773 -0.087 -10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.181 0.025 -8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.874 1.513 -7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.869 2.822 -9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.961 1.578 -10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.218 0.587 -8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.248 2.251 -8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.420 0.743 -10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.406 1.763 -11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.045 0.150 -10.925 1.00 0.00 H new ATOM 601 N ASN A 110 7.224 0.638 -9.401 1.00 0.00 N ATOM 602 CA ASN A 110 8.442 0.383 -10.162 1.00 0.00 C ATOM 603 C ASN A 110 9.412 -0.484 -9.364 1.00 0.00 C ATOM 604 O ASN A 110 10.191 -1.247 -9.935 1.00 0.00 O ATOM 605 CB ASN A 110 9.111 1.705 -10.546 1.00 0.00 C ATOM 606 CG ASN A 110 9.100 1.945 -12.044 1.00 0.00 C ATOM 607 OD1 ASN A 110 9.983 1.480 -12.764 1.00 0.00 O ATOM 608 ND2 ASN A 110 8.097 2.673 -12.519 1.00 0.00 N ATOM 0 H ASN A 110 7.165 1.574 -9.000 1.00 0.00 H new ATOM 0 HA ASN A 110 8.170 -0.155 -11.070 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.599 2.527 -10.045 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.141 1.705 -10.188 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.036 2.867 -13.519 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.387 3.038 -11.885 1.00 0.00 H new ATOM 615 N SER A 111 9.358 -0.360 -8.041 1.00 0.00 N ATOM 616 CA SER A 111 10.234 -1.132 -7.166 1.00 0.00 C ATOM 617 C SER A 111 9.466 -2.260 -6.483 1.00 0.00 C ATOM 618 O SER A 111 9.645 -2.516 -5.292 1.00 0.00 O ATOM 619 CB SER A 111 10.870 -0.220 -6.115 1.00 0.00 C ATOM 620 OG SER A 111 11.981 0.478 -6.647 1.00 0.00 O ATOM 0 H SER A 111 8.718 0.266 -7.552 1.00 0.00 H new ATOM 0 HA SER A 111 11.021 -1.573 -7.778 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.129 0.493 -5.752 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.187 -0.814 -5.258 1.00 0.00 H new ATOM 0 HG SER A 111 12.367 1.054 -5.955 1.00 0.00 H new ATOM 626 N VAL A 112 8.610 -2.932 -7.246 1.00 0.00 N ATOM 627 CA VAL A 112 7.815 -4.033 -6.716 1.00 0.00 C ATOM 628 C VAL A 112 8.568 -5.354 -6.815 1.00 0.00 C ATOM 629 O VAL A 112 9.114 -5.694 -7.865 1.00 0.00 O ATOM 630 CB VAL A 112 6.471 -4.162 -7.455 1.00 0.00 C ATOM 631 CG1 VAL A 112 5.613 -2.931 -7.216 1.00 0.00 C ATOM 632 CG2 VAL A 112 6.695 -4.391 -8.943 1.00 0.00 C ATOM 0 H VAL A 112 8.449 -2.733 -8.233 1.00 0.00 H new ATOM 0 HA VAL A 112 7.623 -3.807 -5.667 1.00 0.00 H new ATOM 0 HB VAL A 112 5.940 -5.028 -7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.666 -3.039 -7.746 1.00 0.00 H new ATOM 0 HG12 VAL A 112 5.421 -2.823 -6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 112 6.135 -2.047 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.732 -4.479 -9.446 1.00 0.00 H new ATOM 0 HG22 VAL A 112 7.247 -3.550 -9.361 1.00 0.00 H new ATOM 0 HG23 VAL A 112 7.266 -5.308 -9.088 1.00 0.00 H new ATOM 642 N CYS A 113 8.590 -6.096 -5.714 1.00 0.00 N ATOM 643 CA CYS A 113 9.273 -7.384 -5.670 1.00 0.00 C ATOM 644 C CYS A 113 8.290 -8.529 -5.899 1.00 0.00 C ATOM 645 O CYS A 113 8.411 -9.595 -5.295 1.00 0.00 O ATOM 646 CB CYS A 113 9.981 -7.561 -4.324 1.00 0.00 C ATOM 647 SG CYS A 113 11.757 -7.943 -4.458 1.00 0.00 S ATOM 0 H CYS A 113 8.142 -5.827 -4.838 1.00 0.00 H new ATOM 0 HA CYS A 113 10.015 -7.404 -6.468 1.00 0.00 H new ATOM 0 HB2 CYS A 113 9.860 -6.649 -3.740 1.00 0.00 H new ATOM 0 HB3 CYS A 113 9.490 -8.361 -3.770 1.00 0.00 H new ATOM 652 N ALA A 114 7.318 -8.302 -6.777 1.00 0.00 N ATOM 653 CA ALA A 114 6.316 -9.312 -7.088 1.00 0.00 C ATOM 654 C ALA A 114 5.499 -9.678 -5.852 1.00 0.00 C ATOM 655 O ALA A 114 5.957 -10.433 -4.996 1.00 0.00 O ATOM 656 CB ALA A 114 6.979 -10.553 -7.668 1.00 0.00 C ATOM 0 H ALA A 114 7.204 -7.425 -7.286 1.00 0.00 H new ATOM 0 HA ALA A 114 5.636 -8.894 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.218 -11.299 -7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 114 7.512 -10.288 -8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 114 7.683 -10.962 -6.943 1.00 0.00 H new ATOM 662 N GLY A 115 4.287 -9.139 -5.769 1.00 0.00 N ATOM 663 CA GLY A 115 3.425 -9.420 -4.636 1.00 0.00 C ATOM 664 C GLY A 115 2.055 -8.779 -4.776 1.00 0.00 C ATOM 665 O GLY A 115 1.955 -7.598 -5.109 1.00 0.00 O ATOM 0 H GLY A 115 3.886 -8.512 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.309 -10.499 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 115 3.900 -9.059 -3.724 1.00 0.00 H new ATOM 669 N PRO A 116 0.969 -9.534 -4.526 1.00 0.00 N ATOM 670 CA PRO A 116 -0.397 -9.009 -4.632 1.00 0.00 C ATOM 671 C PRO A 116 -0.605 -7.756 -3.786 1.00 0.00 C ATOM 672 O PRO A 116 -0.398 -7.776 -2.573 1.00 0.00 O ATOM 673 CB PRO A 116 -1.267 -10.155 -4.108 1.00 0.00 C ATOM 674 CG PRO A 116 -0.445 -11.380 -4.309 1.00 0.00 C ATOM 675 CD PRO A 116 0.984 -10.953 -4.122 1.00 0.00 C ATOM 0 HA PRO A 116 -0.636 -8.709 -5.652 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -1.516 -10.014 -3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.209 -10.217 -4.653 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -0.718 -12.155 -3.593 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -0.601 -11.796 -5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.308 -11.074 -3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 116 1.664 -11.540 -4.740 1.00 0.00 H new ATOM 683 N GLU A 117 -1.016 -6.671 -4.434 1.00 0.00 N ATOM 684 CA GLU A 117 -1.254 -5.408 -3.745 1.00 0.00 C ATOM 685 C GLU A 117 0.038 -4.864 -3.138 1.00 0.00 C ATOM 686 O GLU A 117 0.671 -3.974 -3.704 1.00 0.00 O ATOM 687 CB GLU A 117 -2.312 -5.590 -2.651 1.00 0.00 C ATOM 688 CG GLU A 117 -3.717 -5.219 -3.098 1.00 0.00 C ATOM 689 CD GLU A 117 -4.746 -5.407 -2.001 1.00 0.00 C ATOM 690 OE1 GLU A 117 -5.270 -6.533 -1.866 1.00 0.00 O ATOM 691 OE2 GLU A 117 -5.026 -4.431 -1.275 1.00 0.00 O ATOM 0 H GLU A 117 -1.192 -6.641 -5.438 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.619 -4.687 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -2.307 -6.629 -2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.041 -4.980 -1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -3.727 -4.180 -3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.993 -5.828 -3.959 1.00 0.00 H new ATOM 698 N ASP A 118 0.422 -5.406 -1.987 1.00 0.00 N ATOM 699 CA ASP A 118 1.638 -4.972 -1.306 1.00 0.00 C ATOM 700 C ASP A 118 2.129 -6.042 -0.335 1.00 0.00 C ATOM 701 O ASP A 118 1.341 -6.623 0.412 1.00 0.00 O ATOM 702 CB ASP A 118 1.389 -3.660 -0.560 1.00 0.00 C ATOM 703 CG ASP A 118 1.951 -2.460 -1.296 1.00 0.00 C ATOM 704 OD1 ASP A 118 3.190 -2.371 -1.429 1.00 0.00 O ATOM 705 OD2 ASP A 118 1.154 -1.608 -1.741 1.00 0.00 O ATOM 0 H ASP A 118 -0.090 -6.146 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 118 2.410 -4.811 -2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 118 0.317 -3.525 -0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.839 -3.718 0.431 1.00 0.00 H new ATOM 710 N ASN A 119 3.433 -6.293 -0.352 1.00 0.00 N ATOM 711 CA ASN A 119 4.032 -7.291 0.528 1.00 0.00 C ATOM 712 C ASN A 119 5.540 -7.365 0.316 1.00 0.00 C ATOM 713 O ASN A 119 6.306 -7.517 1.268 1.00 0.00 O ATOM 714 CB ASN A 119 3.404 -8.666 0.284 1.00 0.00 C ATOM 715 CG ASN A 119 3.217 -9.451 1.567 1.00 0.00 C ATOM 716 OD1 ASN A 119 4.156 -10.063 2.076 1.00 0.00 O ATOM 717 ND2 ASN A 119 1.999 -9.439 2.096 1.00 0.00 N ATOM 0 H ASN A 119 4.096 -5.819 -0.965 1.00 0.00 H new ATOM 0 HA ASN A 119 3.840 -6.991 1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 119 2.438 -8.540 -0.206 1.00 0.00 H new ATOM 0 HB3 ASN A 119 4.035 -9.235 -0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 119 1.812 -9.951 2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 119 1.250 -8.918 1.640 1.00 0.00 H new ATOM 724 N SER A 120 5.960 -7.251 -0.938 1.00 0.00 N ATOM 725 CA SER A 120 7.376 -7.301 -1.281 1.00 0.00 C ATOM 726 C SER A 120 7.798 -6.039 -2.028 1.00 0.00 C ATOM 727 O SER A 120 7.110 -5.587 -2.942 1.00 0.00 O ATOM 728 CB SER A 120 7.672 -8.537 -2.134 1.00 0.00 C ATOM 729 OG SER A 120 6.856 -9.630 -1.748 1.00 0.00 O ATOM 0 H SER A 120 5.338 -7.123 -1.736 1.00 0.00 H new ATOM 0 HA SER A 120 7.948 -7.362 -0.355 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.503 -8.306 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.722 -8.810 -2.033 1.00 0.00 H new ATOM 0 HG SER A 120 7.063 -10.407 -2.309 1.00 0.00 H new ATOM 735 N VAL A 121 8.931 -5.471 -1.626 1.00 0.00 N ATOM 736 CA VAL A 121 9.443 -4.260 -2.253 1.00 0.00 C ATOM 737 C VAL A 121 10.961 -4.319 -2.402 1.00 0.00 C ATOM 738 O VAL A 121 11.627 -5.117 -1.742 1.00 0.00 O ATOM 739 CB VAL A 121 9.067 -3.006 -1.441 1.00 0.00 C ATOM 740 CG1 VAL A 121 9.349 -1.742 -2.240 1.00 0.00 C ATOM 741 CG2 VAL A 121 7.607 -3.060 -1.018 1.00 0.00 C ATOM 0 H VAL A 121 9.511 -5.831 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 121 8.985 -4.196 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 121 9.683 -2.984 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.076 -0.869 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.410 -1.696 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.763 -1.754 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.361 -2.166 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.973 -3.110 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.439 -3.943 -0.401 1.00 0.00 H new ATOM 751 N CYS A 122 11.501 -3.472 -3.273 1.00 0.00 N ATOM 752 CA CYS A 122 12.940 -3.430 -3.505 1.00 0.00 C ATOM 753 C CYS A 122 13.535 -2.126 -2.988 1.00 0.00 C ATOM 754 O CYS A 122 13.108 -1.037 -3.377 1.00 0.00 O ATOM 755 CB CYS A 122 13.242 -3.586 -4.997 1.00 0.00 C ATOM 756 SG CYS A 122 13.540 -5.304 -5.521 1.00 0.00 S ATOM 0 H CYS A 122 10.964 -2.806 -3.829 1.00 0.00 H new ATOM 0 HA CYS A 122 13.395 -4.258 -2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 122 12.407 -3.183 -5.570 1.00 0.00 H new ATOM 0 HB3 CYS A 122 14.117 -2.985 -5.244 1.00 0.00 H new ATOM 761 N CYS A 123 14.526 -2.243 -2.111 1.00 0.00 N ATOM 762 CA CYS A 123 15.184 -1.075 -1.537 1.00 0.00 C ATOM 763 C CYS A 123 16.699 -1.187 -1.669 1.00 0.00 C ATOM 764 O CYS A 123 17.312 -2.111 -1.137 1.00 0.00 O ATOM 765 CB CYS A 123 14.798 -0.919 -0.066 1.00 0.00 C ATOM 766 SG CYS A 123 13.183 -0.117 0.199 1.00 0.00 S ATOM 0 H CYS A 123 14.892 -3.136 -1.782 1.00 0.00 H new ATOM 0 HA CYS A 123 14.853 -0.194 -2.087 1.00 0.00 H new ATOM 0 HB2 CYS A 123 14.783 -1.904 0.401 1.00 0.00 H new ATOM 0 HB3 CYS A 123 15.568 -0.337 0.441 1.00 0.00 H new ATOM 771 N GLY A 124 17.297 -0.238 -2.383 1.00 0.00 N ATOM 772 CA GLY A 124 18.736 -0.250 -2.572 1.00 0.00 C ATOM 773 C GLY A 124 19.428 0.873 -1.823 1.00 0.00 C ATOM 774 O GLY A 124 19.174 2.050 -2.151 1.00 0.00 O ATOM 775 OXT GLY A 124 20.222 0.572 -0.906 1.00 0.00 O ATOM 0 H GLY A 124 16.811 0.538 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.136 -1.207 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.961 -0.166 -3.635 1.00 0.00 H new TER 779 GLY A 124