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= 0.0548 USER MOD Single : A 75 THR OG1 : rot 140:sc= -0.128 USER MOD Single : A 78 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.38) USER MOD Single : A 79 LYS NZ :NH3+ 158:sc= 0.503 (180deg=0.292) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.91 K(o=-1.9,f=-10!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 105 THR OG1 : rot 72:sc= 0.536 USER MOD Single : A 106 THR OG1 : rot 79:sc= 1.25 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= -0.437 K(o=-0.44,f=-0.98) USER MOD Single : A 111 SER OG : rot 74:sc= -0.648 USER MOD Single : A 119 ASN : amide:sc=-0.00372 X(o=-0.0037,f=-0.24) USER MOD Single : A 120 SER OG : rot -170:sc= -0.395 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 71 16.701 -10.774 0.340 1.00 0.00 N ATOM 2 CA LEU A 71 16.975 -11.085 -1.059 1.00 0.00 C ATOM 3 C LEU A 71 17.525 -9.866 -1.793 1.00 0.00 C ATOM 4 O LEU A 71 17.245 -8.729 -1.422 1.00 0.00 O ATOM 5 CB LEU A 71 15.704 -11.584 -1.750 1.00 0.00 C ATOM 6 CG LEU A 71 15.693 -13.077 -2.086 1.00 0.00 C ATOM 7 CD1 LEU A 71 14.816 -13.842 -1.106 1.00 0.00 C ATOM 8 CD2 LEU A 71 15.217 -13.301 -3.515 1.00 0.00 C ATOM 0 HA LEU A 71 17.729 -11.872 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 71 14.850 -11.365 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 71 15.564 -11.019 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 71 16.712 -13.453 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.822 -14.901 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.201 -13.711 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.796 -13.462 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.216 -14.369 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.207 -12.906 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 71 15.886 -12.789 -4.206 1.00 0.00 H new ATOM 20 N SER A 72 18.306 -10.113 -2.840 1.00 0.00 N ATOM 21 CA SER A 72 18.888 -9.036 -3.630 1.00 0.00 C ATOM 22 C SER A 72 17.993 -8.702 -4.819 1.00 0.00 C ATOM 23 O SER A 72 17.676 -9.570 -5.630 1.00 0.00 O ATOM 24 CB SER A 72 20.284 -9.426 -4.117 1.00 0.00 C ATOM 25 OG SER A 72 20.437 -10.835 -4.152 1.00 0.00 O ATOM 0 H SER A 72 18.550 -11.050 -3.160 1.00 0.00 H new ATOM 0 HA SER A 72 18.972 -8.153 -2.997 1.00 0.00 H new ATOM 0 HB2 SER A 72 20.454 -9.014 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.037 -8.992 -3.459 1.00 0.00 H new ATOM 0 HG SER A 72 21.337 -11.059 -4.468 1.00 0.00 H new ATOM 31 N CYS A 73 17.582 -7.441 -4.912 1.00 0.00 N ATOM 32 CA CYS A 73 16.717 -7.001 -6.002 1.00 0.00 C ATOM 33 C CYS A 73 17.328 -5.824 -6.753 1.00 0.00 C ATOM 34 O CYS A 73 18.046 -5.008 -6.173 1.00 0.00 O ATOM 35 CB CYS A 73 15.338 -6.616 -5.459 1.00 0.00 C ATOM 36 SG CYS A 73 14.189 -5.970 -6.720 1.00 0.00 S ATOM 0 H CYS A 73 17.833 -6.708 -4.248 1.00 0.00 H new ATOM 0 HA CYS A 73 16.610 -7.830 -6.701 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.889 -7.490 -4.989 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.464 -5.864 -4.680 1.00 0.00 H new ATOM 41 N LEU A 74 17.036 -5.741 -8.046 1.00 0.00 N ATOM 42 CA LEU A 74 17.548 -4.665 -8.883 1.00 0.00 C ATOM 43 C LEU A 74 16.496 -3.579 -9.072 1.00 0.00 C ATOM 44 O LEU A 74 15.392 -3.844 -9.547 1.00 0.00 O ATOM 45 CB LEU A 74 17.984 -5.210 -10.244 1.00 0.00 C ATOM 46 CG LEU A 74 19.335 -5.928 -10.250 1.00 0.00 C ATOM 47 CD1 LEU A 74 19.266 -7.204 -9.424 1.00 0.00 C ATOM 48 CD2 LEU A 74 19.766 -6.238 -11.677 1.00 0.00 C ATOM 0 H LEU A 74 16.444 -6.410 -8.538 1.00 0.00 H new ATOM 0 HA LEU A 74 18.412 -4.228 -8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.221 -5.900 -10.604 1.00 0.00 H new ATOM 0 HB3 LEU A 74 18.026 -4.383 -10.953 1.00 0.00 H new ATOM 0 HG LEU A 74 20.078 -5.269 -9.801 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.236 -7.701 -9.440 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.001 -6.958 -8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.511 -7.869 -9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.729 -6.749 -11.663 1.00 0.00 H new ATOM 0 HD22 LEU A 74 19.022 -6.879 -12.151 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.856 -5.309 -12.240 1.00 0.00 H new ATOM 60 N THR A 75 16.847 -2.354 -8.696 1.00 0.00 N ATOM 61 CA THR A 75 15.936 -1.224 -8.822 1.00 0.00 C ATOM 62 C THR A 75 15.576 -0.988 -10.287 1.00 0.00 C ATOM 63 O THR A 75 16.195 -1.563 -11.182 1.00 0.00 O ATOM 64 CB THR A 75 16.577 0.029 -8.223 1.00 0.00 C ATOM 65 OG1 THR A 75 17.868 0.241 -8.767 1.00 0.00 O ATOM 66 CG2 THR A 75 16.718 -0.036 -6.716 1.00 0.00 C ATOM 0 H THR A 75 17.758 -2.119 -8.301 1.00 0.00 H new ATOM 0 HA THR A 75 15.019 -1.449 -8.276 1.00 0.00 H new ATOM 0 HB THR A 75 15.904 0.848 -8.475 1.00 0.00 H new ATOM 0 HG1 THR A 75 18.002 1.198 -8.929 1.00 0.00 H new ATOM 0 HG21 THR A 75 17.179 0.883 -6.354 1.00 0.00 H new ATOM 0 HG22 THR A 75 15.733 -0.151 -6.263 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.343 -0.887 -6.445 1.00 0.00 H new ATOM 74 N PRO A 76 14.565 -0.143 -10.559 1.00 0.00 N ATOM 75 CA PRO A 76 14.138 0.152 -11.932 1.00 0.00 C ATOM 76 C PRO A 76 15.306 0.554 -12.827 1.00 0.00 C ATOM 77 O PRO A 76 15.245 0.401 -14.047 1.00 0.00 O ATOM 78 CB PRO A 76 13.165 1.319 -11.755 1.00 0.00 C ATOM 79 CG PRO A 76 12.627 1.149 -10.377 1.00 0.00 C ATOM 80 CD PRO A 76 13.758 0.587 -9.562 1.00 0.00 C ATOM 0 HA PRO A 76 13.696 -0.716 -12.420 1.00 0.00 H new ATOM 0 HB2 PRO A 76 13.670 2.278 -11.868 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.369 1.288 -12.499 1.00 0.00 H new ATOM 0 HG2 PRO A 76 12.287 2.101 -9.970 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.770 0.476 -10.372 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.334 1.375 -9.077 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.397 -0.075 -8.775 1.00 0.00 H new ATOM 88 N ASP A 77 16.369 1.066 -12.214 1.00 0.00 N ATOM 89 CA ASP A 77 17.552 1.486 -12.957 1.00 0.00 C ATOM 90 C ASP A 77 18.610 0.381 -12.989 1.00 0.00 C ATOM 91 O ASP A 77 19.722 0.592 -13.472 1.00 0.00 O ATOM 92 CB ASP A 77 18.140 2.757 -12.339 1.00 0.00 C ATOM 93 CG ASP A 77 18.058 3.947 -13.275 1.00 0.00 C ATOM 94 OD1 ASP A 77 17.127 3.986 -14.106 1.00 0.00 O ATOM 95 OD2 ASP A 77 18.927 4.840 -13.178 1.00 0.00 O ATOM 0 H ASP A 77 16.435 1.200 -11.205 1.00 0.00 H new ATOM 0 HA ASP A 77 17.248 1.693 -13.983 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.609 2.988 -11.415 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.182 2.579 -12.072 1.00 0.00 H new ATOM 100 N ASN A 78 18.259 -0.796 -12.472 1.00 0.00 N ATOM 101 CA ASN A 78 19.180 -1.930 -12.443 1.00 0.00 C ATOM 102 C ASN A 78 20.311 -1.690 -11.448 1.00 0.00 C ATOM 103 O ASN A 78 21.449 -2.103 -11.675 1.00 0.00 O ATOM 104 CB ASN A 78 19.754 -2.191 -13.840 1.00 0.00 C ATOM 105 CG ASN A 78 19.542 -3.623 -14.294 1.00 0.00 C ATOM 106 OD1 ASN A 78 18.408 -4.089 -14.408 1.00 0.00 O ATOM 107 ND2 ASN A 78 20.635 -4.329 -14.555 1.00 0.00 N ATOM 0 H ASN A 78 17.343 -0.988 -12.067 1.00 0.00 H new ATOM 0 HA ASN A 78 18.621 -2.809 -12.122 1.00 0.00 H new ATOM 0 HB2 ASN A 78 19.287 -1.513 -14.554 1.00 0.00 H new ATOM 0 HB3 ASN A 78 20.821 -1.967 -13.839 1.00 0.00 H new ATOM 0 HD21 ASN A 78 20.555 -5.298 -14.864 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.555 -3.903 -14.447 1.00 0.00 H new ATOM 114 N LYS A 79 19.988 -1.028 -10.344 1.00 0.00 N ATOM 115 CA LYS A 79 20.973 -0.741 -9.309 1.00 0.00 C ATOM 116 C LYS A 79 20.915 -1.800 -8.210 1.00 0.00 C ATOM 117 O LYS A 79 19.884 -1.970 -7.559 1.00 0.00 O ATOM 118 CB LYS A 79 20.728 0.646 -8.712 1.00 0.00 C ATOM 119 CG LYS A 79 22.006 1.404 -8.389 1.00 0.00 C ATOM 120 CD LYS A 79 21.725 2.633 -7.540 1.00 0.00 C ATOM 121 CE LYS A 79 21.949 2.356 -6.062 1.00 0.00 C ATOM 122 NZ LYS A 79 20.800 2.814 -5.232 1.00 0.00 N ATOM 0 H LYS A 79 19.051 -0.680 -10.142 1.00 0.00 H new ATOM 0 HA LYS A 79 21.964 -0.760 -9.762 1.00 0.00 H new ATOM 0 HB2 LYS A 79 20.134 1.234 -9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 79 20.138 0.541 -7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 79 22.697 0.746 -7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 79 22.496 1.704 -9.315 1.00 0.00 H new ATOM 0 HD2 LYS A 79 22.370 3.452 -7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 79 20.697 2.958 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 79 22.102 1.287 -5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 79 22.858 2.858 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.799 2.301 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.887 3.834 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.910 2.627 -5.737 1.00 0.00 H new ATOM 136 N PRO A 80 22.018 -2.539 -7.989 1.00 0.00 N ATOM 137 CA PRO A 80 22.068 -3.585 -6.966 1.00 0.00 C ATOM 138 C PRO A 80 21.580 -3.098 -5.607 1.00 0.00 C ATOM 139 O PRO A 80 22.100 -2.125 -5.059 1.00 0.00 O ATOM 140 CB PRO A 80 23.551 -3.951 -6.898 1.00 0.00 C ATOM 141 CG PRO A 80 24.090 -3.602 -8.241 1.00 0.00 C ATOM 142 CD PRO A 80 23.295 -2.416 -8.718 1.00 0.00 C ATOM 0 HA PRO A 80 21.418 -4.424 -7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 80 24.060 -3.395 -6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 80 23.688 -5.010 -6.680 1.00 0.00 H new ATOM 0 HG2 PRO A 80 25.152 -3.361 -8.184 1.00 0.00 H new ATOM 0 HG3 PRO A 80 23.990 -4.440 -8.930 1.00 0.00 H new ATOM 0 HD2 PRO A 80 23.799 -1.477 -8.489 1.00 0.00 H new ATOM 0 HD3 PRO A 80 23.145 -2.442 -9.797 1.00 0.00 H new ATOM 150 N GLY A 81 20.580 -3.785 -5.069 1.00 0.00 N ATOM 151 CA GLY A 81 20.033 -3.419 -3.777 1.00 0.00 C ATOM 152 C GLY A 81 19.537 -4.623 -3.005 1.00 0.00 C ATOM 153 O GLY A 81 20.033 -5.735 -3.192 1.00 0.00 O ATOM 0 H GLY A 81 20.137 -4.593 -5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 81 20.797 -2.905 -3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.212 -2.716 -3.918 1.00 0.00 H new ATOM 157 N LYS A 82 18.557 -4.408 -2.136 1.00 0.00 N ATOM 158 CA LYS A 82 17.999 -5.491 -1.339 1.00 0.00 C ATOM 159 C LYS A 82 16.475 -5.444 -1.346 1.00 0.00 C ATOM 160 O LYS A 82 15.879 -4.379 -1.499 1.00 0.00 O ATOM 161 CB LYS A 82 18.517 -5.416 0.098 1.00 0.00 C ATOM 162 CG LYS A 82 20.033 -5.486 0.203 1.00 0.00 C ATOM 163 CD LYS A 82 20.496 -5.392 1.648 1.00 0.00 C ATOM 164 CE LYS A 82 21.785 -4.594 1.770 1.00 0.00 C ATOM 165 NZ LYS A 82 21.529 -3.186 2.184 1.00 0.00 N ATOM 0 H LYS A 82 18.134 -3.496 -1.966 1.00 0.00 H new ATOM 0 HA LYS A 82 18.317 -6.434 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.172 -4.487 0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.083 -6.233 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.386 -6.420 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.477 -4.676 -0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.718 -4.923 2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.648 -6.394 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.441 -5.073 2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.309 -4.602 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.432 -2.676 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.924 -2.721 1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.052 -3.177 3.108 1.00 0.00 H new ATOM 179 N CYS A 83 15.853 -6.605 -1.181 1.00 0.00 N ATOM 180 CA CYS A 83 14.399 -6.697 -1.170 1.00 0.00 C ATOM 181 C CYS A 83 13.887 -7.022 0.228 1.00 0.00 C ATOM 182 O CYS A 83 14.305 -8.003 0.845 1.00 0.00 O ATOM 183 CB CYS A 83 13.928 -7.765 -2.159 1.00 0.00 C ATOM 184 SG CYS A 83 12.117 -7.965 -2.232 1.00 0.00 S ATOM 0 H CYS A 83 16.333 -7.496 -1.053 1.00 0.00 H new ATOM 0 HA CYS A 83 13.995 -5.730 -1.470 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.295 -7.511 -3.153 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.378 -8.720 -1.887 1.00 0.00 H new ATOM 189 N VAL A 84 12.973 -6.190 0.720 1.00 0.00 N ATOM 190 CA VAL A 84 12.394 -6.379 2.044 1.00 0.00 C ATOM 191 C VAL A 84 10.891 -6.128 2.017 1.00 0.00 C ATOM 192 O VAL A 84 10.384 -5.432 1.137 1.00 0.00 O ATOM 193 CB VAL A 84 13.041 -5.445 3.082 1.00 0.00 C ATOM 194 CG1 VAL A 84 14.506 -5.802 3.283 1.00 0.00 C ATOM 195 CG2 VAL A 84 12.893 -3.992 2.659 1.00 0.00 C ATOM 0 H VAL A 84 12.617 -5.376 0.219 1.00 0.00 H new ATOM 0 HA VAL A 84 12.587 -7.412 2.333 1.00 0.00 H new ATOM 0 HB VAL A 84 12.525 -5.577 4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.946 -5.131 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.585 -6.830 3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.038 -5.701 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.356 -3.347 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.381 -3.842 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.835 -3.744 2.572 1.00 0.00 H new ATOM 205 N ASN A 85 10.181 -6.700 2.985 1.00 0.00 N ATOM 206 CA ASN A 85 8.731 -6.538 3.069 1.00 0.00 C ATOM 207 C ASN A 85 8.336 -5.064 3.013 1.00 0.00 C ATOM 208 O ASN A 85 9.192 -4.183 2.949 1.00 0.00 O ATOM 209 CB ASN A 85 8.200 -7.170 4.358 1.00 0.00 C ATOM 210 CG ASN A 85 9.038 -6.812 5.570 1.00 0.00 C ATOM 211 OD1 ASN A 85 10.238 -7.086 5.611 1.00 0.00 O ATOM 212 ND2 ASN A 85 8.410 -6.197 6.564 1.00 0.00 N ATOM 0 H ASN A 85 10.584 -7.279 3.722 1.00 0.00 H new ATOM 0 HA ASN A 85 8.288 -7.044 2.211 1.00 0.00 H new ATOM 0 HB2 ASN A 85 7.173 -6.844 4.522 1.00 0.00 H new ATOM 0 HB3 ASN A 85 8.176 -8.254 4.244 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.923 -5.932 7.405 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.414 -5.989 6.487 1.00 0.00 H new ATOM 219 N ILE A 86 7.031 -4.810 3.034 1.00 0.00 N ATOM 220 CA ILE A 86 6.515 -3.445 2.983 1.00 0.00 C ATOM 221 C ILE A 86 6.456 -2.813 4.373 1.00 0.00 C ATOM 222 O ILE A 86 5.961 -1.698 4.537 1.00 0.00 O ATOM 223 CB ILE A 86 5.108 -3.412 2.346 1.00 0.00 C ATOM 224 CG1 ILE A 86 4.062 -4.002 3.298 1.00 0.00 C ATOM 225 CG2 ILE A 86 5.121 -4.173 1.032 1.00 0.00 C ATOM 226 CD1 ILE A 86 3.052 -2.989 3.789 1.00 0.00 C ATOM 0 H ILE A 86 6.311 -5.531 3.086 1.00 0.00 H new ATOM 0 HA ILE A 86 7.204 -2.867 2.367 1.00 0.00 H new ATOM 0 HB ILE A 86 4.837 -2.374 2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.536 -4.811 2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.570 -4.441 4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.127 -4.147 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.836 -3.711 0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.410 -5.208 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.343 -3.477 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.567 -2.192 4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.517 -2.567 2.938 1.00 0.00 H new ATOM 238 N LYS A 87 6.964 -3.531 5.368 1.00 0.00 N ATOM 239 CA LYS A 87 6.969 -3.041 6.740 1.00 0.00 C ATOM 240 C LYS A 87 8.364 -3.143 7.352 1.00 0.00 C ATOM 241 O LYS A 87 8.514 -3.215 8.572 1.00 0.00 O ATOM 242 CB LYS A 87 5.965 -3.827 7.588 1.00 0.00 C ATOM 243 CG LYS A 87 4.898 -2.954 8.232 1.00 0.00 C ATOM 244 CD LYS A 87 3.502 -3.357 7.785 1.00 0.00 C ATOM 245 CE LYS A 87 2.956 -4.502 8.623 1.00 0.00 C ATOM 246 NZ LYS A 87 1.473 -4.593 8.544 1.00 0.00 N ATOM 0 H LYS A 87 7.378 -4.456 5.249 1.00 0.00 H new ATOM 0 HA LYS A 87 6.677 -1.991 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.481 -4.576 6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.503 -4.364 8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.970 -3.031 9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.076 -1.910 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.833 -2.499 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.526 -3.652 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.395 -5.440 8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.256 -4.366 9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.142 -5.386 9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.052 -3.708 8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.187 -4.749 7.556 1.00 0.00 H new ATOM 260 N LYS A 88 9.382 -3.152 6.497 1.00 0.00 N ATOM 261 CA LYS A 88 10.764 -3.245 6.953 1.00 0.00 C ATOM 262 C LYS A 88 11.598 -2.094 6.402 1.00 0.00 C ATOM 263 O LYS A 88 12.432 -1.526 7.106 1.00 0.00 O ATOM 264 CB LYS A 88 11.374 -4.582 6.531 1.00 0.00 C ATOM 265 CG LYS A 88 12.813 -4.767 6.986 1.00 0.00 C ATOM 266 CD LYS A 88 13.032 -6.136 7.610 1.00 0.00 C ATOM 267 CE LYS A 88 12.898 -6.087 9.124 1.00 0.00 C ATOM 268 NZ LYS A 88 14.220 -6.186 9.802 1.00 0.00 N ATOM 0 H LYS A 88 9.275 -3.096 5.484 1.00 0.00 H new ATOM 0 HA LYS A 88 10.766 -3.181 8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.767 -5.392 6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.332 -4.664 5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.483 -4.643 6.135 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.069 -3.992 7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.309 -6.842 7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.023 -6.504 7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.409 -5.157 9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.257 -6.902 9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 14.085 -6.149 10.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.676 -7.085 9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.824 -5.394 9.503 1.00 0.00 H new ATOM 282 N CYS A 89 11.370 -1.755 5.136 1.00 0.00 N ATOM 283 CA CYS A 89 12.105 -0.669 4.495 1.00 0.00 C ATOM 284 C CYS A 89 11.738 0.675 5.116 1.00 0.00 C ATOM 285 O CYS A 89 10.561 1.016 5.232 1.00 0.00 O ATOM 286 CB CYS A 89 11.821 -0.646 2.992 1.00 0.00 C ATOM 287 SG CYS A 89 13.048 0.288 2.021 1.00 0.00 S ATOM 0 H CYS A 89 10.685 -2.215 4.536 1.00 0.00 H new ATOM 0 HA CYS A 89 13.170 -0.843 4.651 1.00 0.00 H new ATOM 0 HB2 CYS A 89 11.785 -1.671 2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 89 10.835 -0.213 2.825 1.00 0.00 H new ATOM 292 N THR A 90 12.753 1.432 5.515 1.00 0.00 N ATOM 293 CA THR A 90 12.540 2.739 6.127 1.00 0.00 C ATOM 294 C THR A 90 11.844 3.691 5.159 1.00 0.00 C ATOM 295 O THR A 90 11.051 4.538 5.569 1.00 0.00 O ATOM 296 CB THR A 90 13.872 3.339 6.577 1.00 0.00 C ATOM 297 OG1 THR A 90 14.834 2.318 6.786 1.00 0.00 O ATOM 298 CG2 THR A 90 13.768 4.139 7.856 1.00 0.00 C ATOM 0 H THR A 90 13.733 1.163 5.426 1.00 0.00 H new ATOM 0 HA THR A 90 11.898 2.601 6.997 1.00 0.00 H new ATOM 0 HB THR A 90 14.173 4.010 5.773 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.681 2.720 7.072 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.749 4.536 8.118 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.069 4.963 7.714 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.411 3.495 8.660 1.00 0.00 H new ATOM 306 N HIS A 91 12.147 3.546 3.872 1.00 0.00 N ATOM 307 CA HIS A 91 11.550 4.395 2.847 1.00 0.00 C ATOM 308 C HIS A 91 10.034 4.266 2.849 1.00 0.00 C ATOM 309 O HIS A 91 9.314 5.264 2.852 1.00 0.00 O ATOM 310 CB HIS A 91 12.105 4.035 1.469 1.00 0.00 C ATOM 311 CG HIS A 91 13.318 4.825 1.087 1.00 0.00 C ATOM 312 ND1 HIS A 91 13.332 5.730 0.046 1.00 0.00 N ATOM 313 CD2 HIS A 91 14.566 4.845 1.615 1.00 0.00 C ATOM 314 CE1 HIS A 91 14.533 6.271 -0.050 1.00 0.00 C ATOM 315 NE2 HIS A 91 15.300 5.750 0.890 1.00 0.00 N ATOM 0 H HIS A 91 12.801 2.850 3.515 1.00 0.00 H new ATOM 0 HA HIS A 91 11.807 5.430 3.074 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.353 2.974 1.452 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.328 4.193 0.721 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.917 4.258 2.451 1.00 0.00 H new ATOM 0 HE1 HIS A 91 14.836 7.013 -0.774 1.00 0.00 H new ATOM 0 HE2 HIS A 91 16.280 5.983 1.051 1.00 0.00 H new ATOM 324 N LEU A 92 9.554 3.029 2.849 1.00 0.00 N ATOM 325 CA LEU A 92 8.121 2.764 2.851 1.00 0.00 C ATOM 326 C LEU A 92 7.461 3.375 4.081 1.00 0.00 C ATOM 327 O LEU A 92 6.361 3.923 4.001 1.00 0.00 O ATOM 328 CB LEU A 92 7.858 1.256 2.811 1.00 0.00 C ATOM 329 CG LEU A 92 6.627 0.836 2.007 1.00 0.00 C ATOM 330 CD1 LEU A 92 5.360 1.376 2.651 1.00 0.00 C ATOM 331 CD2 LEU A 92 6.743 1.313 0.568 1.00 0.00 C ATOM 0 H LEU A 92 10.137 2.192 2.848 1.00 0.00 H new ATOM 0 HA LEU A 92 7.689 3.223 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.734 0.761 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.746 0.895 3.833 1.00 0.00 H new ATOM 0 HG LEU A 92 6.572 -0.253 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.494 1.067 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.271 0.984 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.405 2.465 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.858 1.005 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.823 2.400 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.631 0.876 0.110 1.00 0.00 H new ATOM 343 N ALA A 93 8.140 3.278 5.218 1.00 0.00 N ATOM 344 CA ALA A 93 7.625 3.822 6.467 1.00 0.00 C ATOM 345 C ALA A 93 7.519 5.343 6.403 1.00 0.00 C ATOM 346 O ALA A 93 6.634 5.939 7.015 1.00 0.00 O ATOM 347 CB ALA A 93 8.511 3.400 7.630 1.00 0.00 C ATOM 0 H ALA A 93 9.051 2.826 5.300 1.00 0.00 H new ATOM 0 HA ALA A 93 6.623 3.422 6.623 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.115 3.813 8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.531 2.312 7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.523 3.772 7.470 1.00 0.00 H new ATOM 353 N GLU A 94 8.428 5.963 5.659 1.00 0.00 N ATOM 354 CA GLU A 94 8.436 7.413 5.517 1.00 0.00 C ATOM 355 C GLU A 94 7.240 7.884 4.696 1.00 0.00 C ATOM 356 O GLU A 94 6.650 8.926 4.981 1.00 0.00 O ATOM 357 CB GLU A 94 9.737 7.876 4.857 1.00 0.00 C ATOM 358 CG GLU A 94 10.848 8.176 5.849 1.00 0.00 C ATOM 359 CD GLU A 94 11.723 9.335 5.413 1.00 0.00 C ATOM 360 OE1 GLU A 94 12.269 9.278 4.293 1.00 0.00 O ATOM 361 OE2 GLU A 94 11.860 10.299 6.196 1.00 0.00 O ATOM 0 H GLU A 94 9.168 5.484 5.146 1.00 0.00 H new ATOM 0 HA GLU A 94 8.367 7.851 6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.077 7.106 4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.537 8.770 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.410 8.402 6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.466 7.287 5.976 1.00 0.00 H new ATOM 368 N ILE A 95 6.888 7.109 3.677 1.00 0.00 N ATOM 369 CA ILE A 95 5.763 7.446 2.813 1.00 0.00 C ATOM 370 C ILE A 95 4.444 7.366 3.574 1.00 0.00 C ATOM 371 O ILE A 95 3.573 8.222 3.417 1.00 0.00 O ATOM 372 CB ILE A 95 5.696 6.517 1.584 1.00 0.00 C ATOM 373 CG1 ILE A 95 7.038 6.505 0.850 1.00 0.00 C ATOM 374 CG2 ILE A 95 4.577 6.954 0.647 1.00 0.00 C ATOM 375 CD1 ILE A 95 7.389 7.830 0.208 1.00 0.00 C ATOM 0 H ILE A 95 7.366 6.243 3.429 1.00 0.00 H new ATOM 0 HA ILE A 95 5.921 8.469 2.473 1.00 0.00 H new ATOM 0 HB ILE A 95 5.482 5.504 1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.825 6.232 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.015 5.733 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.543 6.288 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.624 6.913 1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.762 7.974 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.353 7.747 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.622 8.096 -0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.445 8.603 0.975 1.00 0.00 H new ATOM 387 N GLU A 96 4.302 6.332 4.393 1.00 0.00 N ATOM 388 CA GLU A 96 3.085 6.140 5.176 1.00 0.00 C ATOM 389 C GLU A 96 2.973 7.191 6.276 1.00 0.00 C ATOM 390 O GLU A 96 1.877 7.646 6.603 1.00 0.00 O ATOM 391 CB GLU A 96 3.062 4.740 5.789 1.00 0.00 C ATOM 392 CG GLU A 96 4.252 4.450 6.688 1.00 0.00 C ATOM 393 CD GLU A 96 4.207 3.058 7.287 1.00 0.00 C ATOM 394 OE1 GLU A 96 4.468 2.086 6.549 1.00 0.00 O ATOM 395 OE2 GLU A 96 3.912 2.941 8.495 1.00 0.00 O ATOM 0 H GLU A 96 5.012 5.614 4.533 1.00 0.00 H new ATOM 0 HA GLU A 96 2.232 6.249 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.144 4.620 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.034 4.002 4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.172 4.565 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.283 5.186 7.491 1.00 0.00 H new ATOM 402 N GLU A 97 4.114 7.571 6.841 1.00 0.00 N ATOM 403 CA GLU A 97 4.144 8.569 7.904 1.00 0.00 C ATOM 404 C GLU A 97 3.763 9.946 7.370 1.00 0.00 C ATOM 405 O GLU A 97 3.175 10.759 8.084 1.00 0.00 O ATOM 406 CB GLU A 97 5.533 8.620 8.543 1.00 0.00 C ATOM 407 CG GLU A 97 5.503 8.696 10.062 1.00 0.00 C ATOM 408 CD GLU A 97 5.293 7.340 10.707 1.00 0.00 C ATOM 409 OE1 GLU A 97 4.506 6.538 10.163 1.00 0.00 O ATOM 410 OE2 GLU A 97 5.918 7.081 11.756 1.00 0.00 O ATOM 0 H GLU A 97 5.029 7.203 6.581 1.00 0.00 H new ATOM 0 HA GLU A 97 3.414 8.281 8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.094 7.735 8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.071 9.485 8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.440 9.124 10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.705 9.370 10.373 1.00 0.00 H new ATOM 417 N ASP A 98 4.100 10.203 6.111 1.00 0.00 N ATOM 418 CA ASP A 98 3.794 11.481 5.483 1.00 0.00 C ATOM 419 C ASP A 98 3.509 11.301 3.992 1.00 0.00 C ATOM 420 O ASP A 98 4.306 11.705 3.146 1.00 0.00 O ATOM 421 CB ASP A 98 4.952 12.462 5.681 1.00 0.00 C ATOM 422 CG ASP A 98 4.736 13.379 6.869 1.00 0.00 C ATOM 423 OD1 ASP A 98 4.066 14.420 6.700 1.00 0.00 O ATOM 424 OD2 ASP A 98 5.235 13.056 7.966 1.00 0.00 O ATOM 0 H ASP A 98 4.586 9.542 5.505 1.00 0.00 H new ATOM 0 HA ASP A 98 2.901 11.887 5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.878 11.904 5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.074 13.062 4.780 1.00 0.00 H new ATOM 429 N PRO A 99 2.361 10.690 3.651 1.00 0.00 N ATOM 430 CA PRO A 99 1.973 10.458 2.256 1.00 0.00 C ATOM 431 C PRO A 99 1.961 11.745 1.439 1.00 0.00 C ATOM 432 O PRO A 99 0.929 12.406 1.320 1.00 0.00 O ATOM 433 CB PRO A 99 0.559 9.881 2.365 1.00 0.00 C ATOM 434 CG PRO A 99 0.486 9.305 3.737 1.00 0.00 C ATOM 435 CD PRO A 99 1.354 10.177 4.598 1.00 0.00 C ATOM 0 HA PRO A 99 2.675 9.800 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -0.196 10.654 2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 99 0.384 9.118 1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -0.541 9.295 4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.838 8.273 3.746 1.00 0.00 H new ATOM 0 HD2 PRO A 99 0.784 10.985 5.057 1.00 0.00 H new ATOM 0 HD3 PRO A 99 1.814 9.612 5.408 1.00 0.00 H new ATOM 443 N ILE A 100 3.112 12.098 0.878 1.00 0.00 N ATOM 444 CA ILE A 100 3.233 13.306 0.072 1.00 0.00 C ATOM 445 C ILE A 100 4.070 13.053 -1.177 1.00 0.00 C ATOM 446 O ILE A 100 5.084 12.358 -1.127 1.00 0.00 O ATOM 447 CB ILE A 100 3.870 14.455 0.877 1.00 0.00 C ATOM 448 CG1 ILE A 100 3.186 14.596 2.238 1.00 0.00 C ATOM 449 CG2 ILE A 100 3.784 15.760 0.097 1.00 0.00 C ATOM 450 CD1 ILE A 100 3.965 15.443 3.221 1.00 0.00 C ATOM 0 H ILE A 100 3.976 11.563 0.967 1.00 0.00 H new ATOM 0 HA ILE A 100 2.223 13.592 -0.222 1.00 0.00 H new ATOM 0 HB ILE A 100 4.922 14.222 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.198 15.035 2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.036 13.604 2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.238 16.562 0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.314 15.654 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.739 16.000 -0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.421 15.500 4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.943 14.994 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.093 16.447 2.815 1.00 0.00 H new ATOM 462 N GLY A 101 3.636 13.621 -2.297 1.00 0.00 N ATOM 463 CA GLY A 101 4.356 13.445 -3.546 1.00 0.00 C ATOM 464 C GLY A 101 3.937 12.190 -4.286 1.00 0.00 C ATOM 465 O GLY A 101 4.389 11.091 -3.963 1.00 0.00 O ATOM 0 H GLY A 101 2.799 14.200 -2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.187 14.312 -4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.426 13.402 -3.342 1.00 0.00 H new ATOM 469 N GLU A 102 3.073 12.354 -5.281 1.00 0.00 N ATOM 470 CA GLU A 102 2.592 11.225 -6.070 1.00 0.00 C ATOM 471 C GLU A 102 3.725 10.609 -6.884 1.00 0.00 C ATOM 472 O GLU A 102 3.730 9.405 -7.147 1.00 0.00 O ATOM 473 CB GLU A 102 1.462 11.669 -7.000 1.00 0.00 C ATOM 474 CG GLU A 102 0.304 12.335 -6.275 1.00 0.00 C ATOM 475 CD GLU A 102 -0.601 11.337 -5.582 1.00 0.00 C ATOM 476 OE1 GLU A 102 -1.474 10.756 -6.260 1.00 0.00 O ATOM 477 OE2 GLU A 102 -0.437 11.134 -4.361 1.00 0.00 O ATOM 0 H GLU A 102 2.691 13.257 -5.561 1.00 0.00 H new ATOM 0 HA GLU A 102 2.210 10.470 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.863 12.361 -7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.088 10.802 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.696 13.036 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.281 12.916 -6.988 1.00 0.00 H new ATOM 484 N ASP A 103 4.682 11.440 -7.282 1.00 0.00 N ATOM 485 CA ASP A 103 5.820 10.974 -8.067 1.00 0.00 C ATOM 486 C ASP A 103 6.740 10.097 -7.226 1.00 0.00 C ATOM 487 O ASP A 103 7.331 9.140 -7.726 1.00 0.00 O ATOM 488 CB ASP A 103 6.601 12.167 -8.626 1.00 0.00 C ATOM 489 CG ASP A 103 6.129 12.570 -10.010 1.00 0.00 C ATOM 490 OD1 ASP A 103 5.876 11.667 -10.836 1.00 0.00 O ATOM 491 OD2 ASP A 103 6.012 13.786 -10.265 1.00 0.00 O ATOM 0 H ASP A 103 4.693 12.439 -7.074 1.00 0.00 H new ATOM 0 HA ASP A 103 5.439 10.377 -8.895 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.498 13.015 -7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.661 11.917 -8.665 1.00 0.00 H new ATOM 496 N GLU A 104 6.853 10.428 -5.944 1.00 0.00 N ATOM 497 CA GLU A 104 7.700 9.670 -5.030 1.00 0.00 C ATOM 498 C GLU A 104 7.061 8.327 -4.689 1.00 0.00 C ATOM 499 O GLU A 104 7.754 7.326 -4.507 1.00 0.00 O ATOM 500 CB GLU A 104 7.954 10.471 -3.752 1.00 0.00 C ATOM 501 CG GLU A 104 9.428 10.626 -3.414 1.00 0.00 C ATOM 502 CD GLU A 104 9.684 11.744 -2.422 1.00 0.00 C ATOM 503 OE1 GLU A 104 9.049 11.740 -1.346 1.00 0.00 O ATOM 504 OE2 GLU A 104 10.519 12.624 -2.722 1.00 0.00 O ATOM 0 H GLU A 104 6.369 11.216 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 104 8.653 9.483 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.508 11.460 -3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.448 9.981 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.804 9.688 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.988 10.821 -4.328 1.00 0.00 H new ATOM 511 N THR A 105 5.735 8.314 -4.606 1.00 0.00 N ATOM 512 CA THR A 105 5.002 7.096 -4.288 1.00 0.00 C ATOM 513 C THR A 105 5.015 6.133 -5.472 1.00 0.00 C ATOM 514 O THR A 105 4.999 4.915 -5.295 1.00 0.00 O ATOM 515 CB THR A 105 3.560 7.428 -3.903 1.00 0.00 C ATOM 516 OG1 THR A 105 3.527 8.443 -2.915 1.00 0.00 O ATOM 517 CG2 THR A 105 2.795 6.240 -3.362 1.00 0.00 C ATOM 0 H THR A 105 5.147 9.134 -4.755 1.00 0.00 H new ATOM 0 HA THR A 105 5.493 6.615 -3.442 1.00 0.00 H new ATOM 0 HB THR A 105 3.084 7.757 -4.827 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.774 9.301 -3.319 1.00 0.00 H new ATOM 0 HG21 THR A 105 1.780 6.546 -3.109 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.760 5.455 -4.118 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.293 5.862 -2.469 1.00 0.00 H new ATOM 525 N THR A 106 5.048 6.690 -6.678 1.00 0.00 N ATOM 526 CA THR A 106 5.067 5.882 -7.893 1.00 0.00 C ATOM 527 C THR A 106 6.408 5.172 -8.051 1.00 0.00 C ATOM 528 O THR A 106 6.468 4.037 -8.523 1.00 0.00 O ATOM 529 CB THR A 106 4.793 6.758 -9.117 1.00 0.00 C ATOM 530 OG1 THR A 106 3.619 7.530 -8.928 1.00 0.00 O ATOM 531 CG2 THR A 106 4.622 5.966 -10.394 1.00 0.00 C ATOM 0 H THR A 106 5.062 7.697 -6.841 1.00 0.00 H new ATOM 0 HA THR A 106 4.284 5.128 -7.812 1.00 0.00 H new ATOM 0 HB THR A 106 5.672 7.394 -9.220 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.822 8.299 -8.355 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.431 6.648 -11.222 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.530 5.398 -10.594 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.782 5.280 -10.287 1.00 0.00 H new ATOM 539 N TYR A 107 7.478 5.847 -7.650 1.00 0.00 N ATOM 540 CA TYR A 107 8.819 5.281 -7.745 1.00 0.00 C ATOM 541 C TYR A 107 8.967 4.088 -6.810 1.00 0.00 C ATOM 542 O TYR A 107 9.575 3.078 -7.167 1.00 0.00 O ATOM 543 CB TYR A 107 9.870 6.343 -7.414 1.00 0.00 C ATOM 544 CG TYR A 107 10.879 6.560 -8.520 1.00 0.00 C ATOM 545 CD1 TYR A 107 10.480 7.011 -9.772 1.00 0.00 C ATOM 546 CD2 TYR A 107 12.229 6.314 -8.310 1.00 0.00 C ATOM 547 CE1 TYR A 107 11.399 7.211 -10.784 1.00 0.00 C ATOM 548 CE2 TYR A 107 13.156 6.512 -9.318 1.00 0.00 C ATOM 549 CZ TYR A 107 12.735 6.959 -10.552 1.00 0.00 C ATOM 550 OH TYR A 107 13.654 7.156 -11.559 1.00 0.00 O ATOM 0 H TYR A 107 7.444 6.787 -7.256 1.00 0.00 H new ATOM 0 HA TYR A 107 8.974 4.940 -8.769 1.00 0.00 H new ATOM 0 HB2 TYR A 107 9.367 7.286 -7.202 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.396 6.051 -6.505 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.434 7.208 -9.957 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.561 5.962 -7.344 1.00 0.00 H new ATOM 0 HE1 TYR A 107 11.073 7.563 -11.752 1.00 0.00 H new ATOM 0 HE2 TYR A 107 14.203 6.317 -9.139 1.00 0.00 H new ATOM 0 HH TYR A 107 14.551 6.934 -11.232 1.00 0.00 H new ATOM 560 N LEU A 108 8.408 4.210 -5.614 1.00 0.00 N ATOM 561 CA LEU A 108 8.473 3.139 -4.627 1.00 0.00 C ATOM 562 C LEU A 108 7.716 1.911 -5.115 1.00 0.00 C ATOM 563 O LEU A 108 8.184 0.781 -4.970 1.00 0.00 O ATOM 564 CB LEU A 108 7.898 3.613 -3.289 1.00 0.00 C ATOM 565 CG LEU A 108 8.676 3.162 -2.052 1.00 0.00 C ATOM 566 CD1 LEU A 108 8.862 1.654 -2.057 1.00 0.00 C ATOM 567 CD2 LEU A 108 10.022 3.868 -1.984 1.00 0.00 C ATOM 0 H LEU A 108 7.904 5.040 -5.303 1.00 0.00 H new ATOM 0 HA LEU A 108 9.519 2.868 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.855 4.702 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.872 3.254 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 108 8.101 3.432 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 108 9.418 1.353 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.887 1.167 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.415 1.359 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 108 10.563 3.536 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.603 3.629 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 108 9.865 4.945 -1.931 1.00 0.00 H new ATOM 579 N LYS A 109 6.551 2.142 -5.703 1.00 0.00 N ATOM 580 CA LYS A 109 5.728 1.057 -6.225 1.00 0.00 C ATOM 581 C LYS A 109 6.391 0.423 -7.442 1.00 0.00 C ATOM 582 O LYS A 109 6.237 -0.774 -7.694 1.00 0.00 O ATOM 583 CB LYS A 109 4.336 1.575 -6.594 1.00 0.00 C ATOM 584 CG LYS A 109 3.235 1.067 -5.676 1.00 0.00 C ATOM 585 CD LYS A 109 1.988 1.930 -5.773 1.00 0.00 C ATOM 586 CE LYS A 109 0.735 1.138 -5.434 1.00 0.00 C ATOM 587 NZ LYS A 109 -0.458 1.643 -6.168 1.00 0.00 N ATOM 0 H LYS A 109 6.153 3.072 -5.831 1.00 0.00 H new ATOM 0 HA LYS A 109 5.626 0.298 -5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.344 2.665 -6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.108 1.281 -7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.988 0.038 -5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.593 1.058 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.078 2.779 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.902 2.335 -6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.893 0.087 -5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.551 1.192 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.291 1.076 -5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.625 2.638 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.293 1.568 -7.192 1.00 0.00 H new ATOM 601 N ASN A 110 7.132 1.231 -8.192 1.00 0.00 N ATOM 602 CA ASN A 110 7.826 0.752 -9.381 1.00 0.00 C ATOM 603 C ASN A 110 8.941 -0.215 -9.000 1.00 0.00 C ATOM 604 O ASN A 110 9.286 -1.114 -9.767 1.00 0.00 O ATOM 605 CB ASN A 110 8.400 1.931 -10.170 1.00 0.00 C ATOM 606 CG ASN A 110 7.477 2.387 -11.283 1.00 0.00 C ATOM 607 OD1 ASN A 110 7.424 1.776 -12.351 1.00 0.00 O ATOM 608 ND2 ASN A 110 6.741 3.465 -11.038 1.00 0.00 N ATOM 0 H ASN A 110 7.268 2.223 -7.997 1.00 0.00 H new ATOM 0 HA ASN A 110 7.108 0.223 -10.007 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.584 2.763 -9.491 1.00 0.00 H new ATOM 0 HB3 ASN A 110 9.363 1.646 -10.594 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.100 3.817 -11.749 1.00 0.00 H new ATOM 0 HD22 ASN A 110 6.817 3.941 -10.139 1.00 0.00 H new ATOM 615 N SER A 111 9.499 -0.026 -7.806 1.00 0.00 N ATOM 616 CA SER A 111 10.573 -0.885 -7.322 1.00 0.00 C ATOM 617 C SER A 111 10.018 -2.009 -6.451 1.00 0.00 C ATOM 618 O SER A 111 10.632 -2.401 -5.459 1.00 0.00 O ATOM 619 CB SER A 111 11.593 -0.065 -6.530 1.00 0.00 C ATOM 620 OG SER A 111 12.027 1.062 -7.271 1.00 0.00 O ATOM 0 H SER A 111 9.225 0.713 -7.159 1.00 0.00 H new ATOM 0 HA SER A 111 11.068 -1.329 -8.186 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.149 0.263 -5.590 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.450 -0.690 -6.278 1.00 0.00 H new ATOM 0 HG SER A 111 11.316 1.737 -7.287 1.00 0.00 H new ATOM 626 N VAL A 112 8.851 -2.522 -6.828 1.00 0.00 N ATOM 627 CA VAL A 112 8.211 -3.598 -6.086 1.00 0.00 C ATOM 628 C VAL A 112 8.798 -4.950 -6.470 1.00 0.00 C ATOM 629 O VAL A 112 9.066 -5.215 -7.642 1.00 0.00 O ATOM 630 CB VAL A 112 6.689 -3.618 -6.328 1.00 0.00 C ATOM 631 CG1 VAL A 112 6.380 -3.870 -7.797 1.00 0.00 C ATOM 632 CG2 VAL A 112 6.016 -4.661 -5.444 1.00 0.00 C ATOM 0 H VAL A 112 8.329 -2.207 -7.646 1.00 0.00 H new ATOM 0 HA VAL A 112 8.398 -3.412 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 112 6.288 -2.640 -6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 112 5.300 -3.880 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.822 -3.079 -8.403 1.00 0.00 H new ATOM 0 HG13 VAL A 112 6.796 -4.832 -8.097 1.00 0.00 H new ATOM 0 HG21 VAL A 112 4.942 -4.658 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 112 6.421 -5.647 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 112 6.202 -4.425 -4.396 1.00 0.00 H new ATOM 642 N CYS A 113 8.996 -5.797 -5.470 1.00 0.00 N ATOM 643 CA CYS A 113 9.551 -7.128 -5.687 1.00 0.00 C ATOM 644 C CYS A 113 8.547 -8.024 -6.412 1.00 0.00 C ATOM 645 O CYS A 113 8.097 -9.037 -5.874 1.00 0.00 O ATOM 646 CB CYS A 113 9.954 -7.755 -4.347 1.00 0.00 C ATOM 647 SG CYS A 113 11.727 -8.154 -4.215 1.00 0.00 S ATOM 0 H CYS A 113 8.780 -5.586 -4.496 1.00 0.00 H new ATOM 0 HA CYS A 113 10.437 -7.034 -6.314 1.00 0.00 H new ATOM 0 HB2 CYS A 113 9.686 -7.070 -3.543 1.00 0.00 H new ATOM 0 HB3 CYS A 113 9.375 -8.666 -4.196 1.00 0.00 H new ATOM 652 N ALA A 114 8.199 -7.642 -7.636 1.00 0.00 N ATOM 653 CA ALA A 114 7.249 -8.408 -8.435 1.00 0.00 C ATOM 654 C ALA A 114 7.727 -9.841 -8.636 1.00 0.00 C ATOM 655 O ALA A 114 8.902 -10.149 -8.431 1.00 0.00 O ATOM 656 CB ALA A 114 7.024 -7.731 -9.779 1.00 0.00 C ATOM 0 H ALA A 114 8.560 -6.807 -8.097 1.00 0.00 H new ATOM 0 HA ALA A 114 6.303 -8.442 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.313 -8.313 -10.365 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.628 -6.728 -9.619 1.00 0.00 H new ATOM 0 HB3 ALA A 114 7.970 -7.666 -10.317 1.00 0.00 H new ATOM 662 N GLY A 115 6.811 -10.715 -9.039 1.00 0.00 N ATOM 663 CA GLY A 115 7.157 -12.107 -9.261 1.00 0.00 C ATOM 664 C GLY A 115 6.143 -13.061 -8.659 1.00 0.00 C ATOM 665 O GLY A 115 4.960 -12.735 -8.567 1.00 0.00 O ATOM 0 H GLY A 115 5.833 -10.484 -9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 115 7.234 -12.292 -10.332 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.139 -12.307 -8.832 1.00 0.00 H new ATOM 669 N PRO A 116 6.580 -14.261 -8.234 1.00 0.00 N ATOM 670 CA PRO A 116 5.687 -15.261 -7.638 1.00 0.00 C ATOM 671 C PRO A 116 5.191 -14.844 -6.258 1.00 0.00 C ATOM 672 O PRO A 116 4.107 -15.241 -5.831 1.00 0.00 O ATOM 673 CB PRO A 116 6.568 -16.507 -7.533 1.00 0.00 C ATOM 674 CG PRO A 116 7.961 -15.985 -7.468 1.00 0.00 C ATOM 675 CD PRO A 116 7.975 -14.735 -8.304 1.00 0.00 C ATOM 0 HA PRO A 116 4.786 -15.408 -8.233 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.323 -17.091 -6.646 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.431 -17.162 -8.394 1.00 0.00 H new ATOM 0 HG2 PRO A 116 8.249 -15.769 -6.439 1.00 0.00 H new ATOM 0 HG3 PRO A 116 8.671 -16.718 -7.851 1.00 0.00 H new ATOM 0 HD2 PRO A 116 8.671 -13.995 -7.909 1.00 0.00 H new ATOM 0 HD3 PRO A 116 8.278 -14.941 -9.330 1.00 0.00 H new ATOM 683 N GLU A 117 5.991 -14.041 -5.564 1.00 0.00 N ATOM 684 CA GLU A 117 5.632 -13.570 -4.232 1.00 0.00 C ATOM 685 C GLU A 117 5.023 -12.174 -4.293 1.00 0.00 C ATOM 686 O GLU A 117 5.225 -11.440 -5.261 1.00 0.00 O ATOM 687 CB GLU A 117 6.863 -13.565 -3.322 1.00 0.00 C ATOM 688 CG GLU A 117 7.449 -14.947 -3.083 1.00 0.00 C ATOM 689 CD GLU A 117 8.015 -15.106 -1.686 1.00 0.00 C ATOM 690 OE1 GLU A 117 7.533 -14.411 -0.767 1.00 0.00 O ATOM 691 OE2 GLU A 117 8.940 -15.927 -1.511 1.00 0.00 O ATOM 0 H GLU A 117 6.892 -13.703 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 117 4.887 -14.252 -3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.628 -12.927 -3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 117 6.594 -13.123 -2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 117 6.676 -15.698 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.236 -15.135 -3.813 1.00 0.00 H new ATOM 698 N ASP A 118 4.276 -11.812 -3.256 1.00 0.00 N ATOM 699 CA ASP A 118 3.636 -10.504 -3.193 1.00 0.00 C ATOM 700 C ASP A 118 3.922 -9.820 -1.860 1.00 0.00 C ATOM 701 O ASP A 118 4.574 -10.389 -0.986 1.00 0.00 O ATOM 702 CB ASP A 118 2.126 -10.641 -3.394 1.00 0.00 C ATOM 703 CG ASP A 118 1.525 -9.442 -4.100 1.00 0.00 C ATOM 704 OD1 ASP A 118 2.009 -9.094 -5.197 1.00 0.00 O ATOM 705 OD2 ASP A 118 0.569 -8.850 -3.555 1.00 0.00 O ATOM 0 H ASP A 118 4.099 -12.407 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 118 4.048 -9.888 -3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 118 1.920 -11.541 -3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.643 -10.768 -2.425 1.00 0.00 H new ATOM 710 N ASN A 119 3.429 -8.594 -1.711 1.00 0.00 N ATOM 711 CA ASN A 119 3.631 -7.832 -0.485 1.00 0.00 C ATOM 712 C ASN A 119 5.118 -7.613 -0.218 1.00 0.00 C ATOM 713 O ASN A 119 5.557 -7.601 0.931 1.00 0.00 O ATOM 714 CB ASN A 119 2.991 -8.556 0.701 1.00 0.00 C ATOM 715 CG ASN A 119 1.545 -8.151 0.915 1.00 0.00 C ATOM 716 OD1 ASN A 119 1.226 -6.964 0.990 1.00 0.00 O ATOM 717 ND2 ASN A 119 0.663 -9.139 1.016 1.00 0.00 N ATOM 0 H ASN A 119 2.887 -8.108 -2.425 1.00 0.00 H new ATOM 0 HA ASN A 119 3.155 -6.859 -0.609 1.00 0.00 H new ATOM 0 HB2 ASN A 119 3.043 -9.632 0.537 1.00 0.00 H new ATOM 0 HB3 ASN A 119 3.562 -8.343 1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -0.324 -8.928 1.162 1.00 0.00 H new ATOM 0 HD22 ASN A 119 0.973 -10.108 0.948 1.00 0.00 H new ATOM 724 N SER A 120 5.886 -7.441 -1.289 1.00 0.00 N ATOM 725 CA SER A 120 7.323 -7.225 -1.170 1.00 0.00 C ATOM 726 C SER A 120 7.748 -5.958 -1.906 1.00 0.00 C ATOM 727 O SER A 120 7.027 -5.456 -2.769 1.00 0.00 O ATOM 728 CB SER A 120 8.089 -8.429 -1.720 1.00 0.00 C ATOM 729 OG SER A 120 7.449 -8.961 -2.867 1.00 0.00 O ATOM 0 H SER A 120 5.538 -7.447 -2.248 1.00 0.00 H new ATOM 0 HA SER A 120 7.559 -7.105 -0.113 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.107 -8.132 -1.973 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.163 -9.198 -0.952 1.00 0.00 H new ATOM 0 HG SER A 120 7.863 -9.816 -3.106 1.00 0.00 H new ATOM 735 N VAL A 121 8.924 -5.446 -1.558 1.00 0.00 N ATOM 736 CA VAL A 121 9.448 -4.237 -2.184 1.00 0.00 C ATOM 737 C VAL A 121 10.963 -4.315 -2.338 1.00 0.00 C ATOM 738 O VAL A 121 11.625 -5.099 -1.657 1.00 0.00 O ATOM 739 CB VAL A 121 9.091 -2.981 -1.366 1.00 0.00 C ATOM 740 CG1 VAL A 121 9.441 -1.720 -2.141 1.00 0.00 C ATOM 741 CG2 VAL A 121 7.619 -2.991 -0.986 1.00 0.00 C ATOM 0 H VAL A 121 9.532 -5.849 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 121 8.986 -4.163 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 121 9.679 -2.990 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.181 -0.844 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.510 -1.709 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.883 -1.702 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.386 -2.096 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.010 -3.009 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.404 -3.876 -0.386 1.00 0.00 H new ATOM 751 N CYS A 122 11.508 -3.498 -3.234 1.00 0.00 N ATOM 752 CA CYS A 122 12.948 -3.479 -3.471 1.00 0.00 C ATOM 753 C CYS A 122 13.556 -2.166 -2.993 1.00 0.00 C ATOM 754 O CYS A 122 13.139 -1.085 -3.412 1.00 0.00 O ATOM 755 CB CYS A 122 13.249 -3.682 -4.958 1.00 0.00 C ATOM 756 SG CYS A 122 12.629 -5.256 -5.636 1.00 0.00 S ATOM 0 H CYS A 122 10.976 -2.842 -3.806 1.00 0.00 H new ATOM 0 HA CYS A 122 13.395 -4.297 -2.905 1.00 0.00 H new ATOM 0 HB2 CYS A 122 12.811 -2.858 -5.522 1.00 0.00 H new ATOM 0 HB3 CYS A 122 14.327 -3.634 -5.109 1.00 0.00 H new ATOM 761 N CYS A 123 14.544 -2.269 -2.112 1.00 0.00 N ATOM 762 CA CYS A 123 15.213 -1.093 -1.568 1.00 0.00 C ATOM 763 C CYS A 123 16.725 -1.201 -1.739 1.00 0.00 C ATOM 764 O CYS A 123 17.340 -2.176 -1.306 1.00 0.00 O ATOM 765 CB CYS A 123 14.865 -0.926 -0.089 1.00 0.00 C ATOM 766 SG CYS A 123 13.088 -0.674 0.233 1.00 0.00 S ATOM 0 H CYS A 123 14.900 -3.157 -1.758 1.00 0.00 H new ATOM 0 HA CYS A 123 14.866 -0.218 -2.118 1.00 0.00 H new ATOM 0 HB2 CYS A 123 15.200 -1.810 0.454 1.00 0.00 H new ATOM 0 HB3 CYS A 123 15.420 -0.077 0.310 1.00 0.00 H new ATOM 771 N GLY A 124 17.319 -0.195 -2.374 1.00 0.00 N ATOM 772 CA GLY A 124 18.754 -0.199 -2.590 1.00 0.00 C ATOM 773 C GLY A 124 19.454 0.933 -1.863 1.00 0.00 C ATOM 774 O GLY A 124 20.022 1.814 -2.542 1.00 0.00 O ATOM 775 OXT GLY A 124 19.435 0.936 -0.614 1.00 0.00 O ATOM 0 H GLY A 124 16.832 0.622 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.166 -1.151 -2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.958 -0.121 -3.658 1.00 0.00 H new TER 779 GLY A 124