USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 SER OG : rot -89:sc= 0.0214 USER MOD Set 1.2: A 52 HIS :FLIP no HD1:sc= -6.9! C(o=-9.6!,f=-6.9!) USER MOD Set 2.1: A 33 ASN : amide:sc= -6.46! C(o=-6.4!,f=-7!) USER MOD Set 2.2: A 36 ASN :FLIP amide:sc= 0.0634 F(o=-7.6,f=-6.4) USER MOD Set 3.1: A 11 TYR OH : rot 166:sc= 0.064 USER MOD Set 3.2: A 13 LYS NZ :NH3+ -171:sc= 0.0626 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -173:sc= -1.86 (180deg=-2.3) USER MOD Single : A 5 SER OG : rot 170:sc= -0.0206 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.826 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.018) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.921 USER MOD Single : A 31 TYR OH : rot 150:sc= 0.212 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.622 F(o=-2.4,f=-0.62) USER MOD Single : A 44 SER OG : rot 150:sc= -0.974 USER MOD Single : A 45 ASN : amide:sc= -0.0712 X(o=-0.071,f=-0.54) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00507) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.293 20.174 -0.269 1.00 0.00 N ATOM 2 CA LEU A 1 5.357 20.416 0.844 1.00 0.00 C ATOM 3 C LEU A 1 4.006 19.794 0.528 1.00 0.00 C ATOM 4 O LEU A 1 3.304 19.309 1.416 1.00 0.00 O ATOM 5 CB LEU A 1 5.317 21.930 1.085 1.00 0.00 C ATOM 6 CG LEU A 1 6.642 22.672 1.044 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.893 23.143 -0.384 1.00 0.00 C ATOM 8 CD2 LEU A 1 6.634 23.860 1.995 1.00 0.00 C ATOM 0 H1 LEU A 1 7.244 20.496 0.001 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.320 19.157 -0.485 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.976 20.698 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 1 5.679 19.940 1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.657 22.374 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.861 22.106 2.059 1.00 0.00 H new ATOM 0 HG LEU A 1 7.439 22.000 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.842 23.678 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.930 22.281 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.087 23.807 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 1 7.595 24.373 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.840 24.549 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 1 6.462 23.510 3.013 1.00 0.00 H new ATOM 22 N ALA A 2 3.716 19.677 -0.766 1.00 0.00 N ATOM 23 CA ALA A 2 2.562 18.911 -1.221 1.00 0.00 C ATOM 24 C ALA A 2 3.010 17.768 -2.127 1.00 0.00 C ATOM 25 O ALA A 2 4.089 17.815 -2.717 1.00 0.00 O ATOM 26 CB ALA A 2 1.572 19.824 -1.936 1.00 0.00 C ATOM 0 H ALA A 2 4.263 20.102 -1.514 1.00 0.00 H new ATOM 0 HA ALA A 2 2.060 18.479 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.715 19.240 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.235 20.603 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.057 20.283 -2.797 1.00 0.00 H new ATOM 32 N ALA A 3 2.316 16.638 -1.989 1.00 0.00 N ATOM 33 CA ALA A 3 2.676 15.433 -2.721 1.00 0.00 C ATOM 34 C ALA A 3 1.645 14.334 -2.472 1.00 0.00 C ATOM 35 O ALA A 3 1.787 13.541 -1.539 1.00 0.00 O ATOM 36 CB ALA A 3 4.075 14.970 -2.325 1.00 0.00 C ATOM 0 H ALA A 3 1.505 16.536 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 3 2.682 15.658 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.331 14.068 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.796 15.754 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.099 14.757 -1.256 1.00 0.00 H new ATOM 42 N VAL A 4 0.767 14.146 -3.453 1.00 0.00 N ATOM 43 CA VAL A 4 -0.090 12.967 -3.492 1.00 0.00 C ATOM 44 C VAL A 4 0.717 11.740 -3.907 1.00 0.00 C ATOM 45 O VAL A 4 1.133 11.621 -5.060 1.00 0.00 O ATOM 46 CB VAL A 4 -1.317 13.225 -4.392 1.00 0.00 C ATOM 47 CG1 VAL A 4 -0.928 13.712 -5.784 1.00 0.00 C ATOM 48 CG2 VAL A 4 -2.217 12.003 -4.477 1.00 0.00 C ATOM 0 H VAL A 4 0.631 14.793 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.477 12.760 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.881 14.028 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.828 13.878 -6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.371 14.645 -5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.306 12.961 -6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.070 12.223 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.656 11.166 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.572 11.742 -3.480 1.00 0.00 H new ATOM 58 N SER A 5 1.140 10.973 -2.905 1.00 0.00 N ATOM 59 CA SER A 5 2.140 9.933 -3.109 1.00 0.00 C ATOM 60 C SER A 5 2.161 8.980 -1.919 1.00 0.00 C ATOM 61 O SER A 5 1.274 9.010 -1.066 1.00 0.00 O ATOM 62 CB SER A 5 3.518 10.526 -3.366 1.00 0.00 C ATOM 63 OG SER A 5 3.771 11.633 -2.519 1.00 0.00 O ATOM 0 H SER A 5 0.805 11.053 -1.945 1.00 0.00 H new ATOM 0 HA SER A 5 1.864 9.367 -3.999 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.280 9.763 -3.207 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.593 10.838 -4.408 1.00 0.00 H new ATOM 0 HG SER A 5 4.714 11.891 -2.591 1.00 0.00 H new ATOM 69 N VAL A 6 3.082 8.021 -1.970 1.00 0.00 N ATOM 70 CA VAL A 6 3.050 6.885 -1.058 1.00 0.00 C ATOM 71 C VAL A 6 4.454 6.586 -0.535 1.00 0.00 C ATOM 72 O VAL A 6 5.346 7.432 -0.612 1.00 0.00 O ATOM 73 CB VAL A 6 2.372 5.670 -1.719 1.00 0.00 C ATOM 74 CG1 VAL A 6 0.854 5.694 -1.575 1.00 0.00 C ATOM 75 CG2 VAL A 6 2.775 5.517 -3.176 1.00 0.00 C ATOM 0 H VAL A 6 3.858 8.009 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 6 2.440 7.135 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 6 2.733 4.795 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.429 4.815 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.589 5.690 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.458 6.594 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.274 4.648 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.486 6.411 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.855 5.382 -3.243 1.00 0.00 H new ATOM 85 N ASP A 7 4.551 5.507 0.236 1.00 0.00 N ATOM 86 CA ASP A 7 5.751 5.229 1.016 1.00 0.00 C ATOM 87 C ASP A 7 5.884 3.732 1.268 1.00 0.00 C ATOM 88 O ASP A 7 5.667 3.251 2.378 1.00 0.00 O ATOM 89 CB ASP A 7 5.811 6.085 2.279 1.00 0.00 C ATOM 90 CG ASP A 7 7.186 6.114 2.918 1.00 0.00 C ATOM 91 OD1 ASP A 7 8.132 6.693 2.365 1.00 0.00 O ATOM 92 OD2 ASP A 7 7.302 5.515 4.010 1.00 0.00 O ATOM 0 H ASP A 7 3.812 4.811 0.337 1.00 0.00 H new ATOM 0 HA ASP A 7 6.629 5.520 0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.510 7.104 2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.090 5.705 3.002 1.00 0.00 H new ATOM 97 N CYS A 8 6.096 2.992 0.183 1.00 0.00 N ATOM 98 CA CYS A 8 6.117 1.536 0.249 1.00 0.00 C ATOM 99 C CYS A 8 7.557 1.037 0.282 1.00 0.00 C ATOM 100 O CYS A 8 7.890 -0.006 -0.276 1.00 0.00 O ATOM 101 CB CYS A 8 5.325 0.918 -0.899 1.00 0.00 C ATOM 102 SG CYS A 8 3.612 1.489 -1.026 1.00 0.00 S ATOM 0 H CYS A 8 6.255 3.376 -0.749 1.00 0.00 H new ATOM 0 HA CYS A 8 5.629 1.220 1.171 1.00 0.00 H new ATOM 0 HB2 CYS A 8 5.837 1.137 -1.836 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.325 -0.166 -0.781 1.00 0.00 H new ATOM 107 N SER A 9 8.417 1.840 0.906 1.00 0.00 N ATOM 108 CA SER A 9 9.841 1.531 0.950 1.00 0.00 C ATOM 109 C SER A 9 10.154 0.659 2.164 1.00 0.00 C ATOM 110 O SER A 9 10.652 1.140 3.184 1.00 0.00 O ATOM 111 CB SER A 9 10.693 2.788 0.925 1.00 0.00 C ATOM 112 OG SER A 9 10.024 3.859 0.281 1.00 0.00 O ATOM 0 H SER A 9 8.154 2.702 1.384 1.00 0.00 H new ATOM 0 HA SER A 9 10.094 0.968 0.051 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.946 3.077 1.945 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.631 2.582 0.410 1.00 0.00 H new ATOM 0 HG SER A 9 10.599 4.653 0.284 1.00 0.00 H new ATOM 118 N GLU A 10 9.515 -0.515 2.173 1.00 0.00 N ATOM 119 CA GLU A 10 9.565 -1.407 3.320 1.00 0.00 C ATOM 120 C GLU A 10 8.868 -2.733 2.965 1.00 0.00 C ATOM 121 O GLU A 10 9.435 -3.804 3.206 1.00 0.00 O ATOM 122 CB GLU A 10 8.859 -0.718 4.490 1.00 0.00 C ATOM 123 CG GLU A 10 9.150 -0.949 5.861 1.00 0.00 C ATOM 124 CD GLU A 10 10.047 0.038 6.545 1.00 0.00 C ATOM 125 OE1 GLU A 10 9.474 1.127 6.761 1.00 0.00 O ATOM 126 OE2 GLU A 10 11.222 -0.167 6.801 1.00 0.00 O ATOM 0 H GLU A 10 8.958 -0.864 1.393 1.00 0.00 H new ATOM 0 HA GLU A 10 10.596 -1.627 3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.989 0.352 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.797 -0.931 4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.207 -0.983 6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.604 -1.936 5.949 1.00 0.00 H new ATOM 133 N TYR A 11 7.960 -2.623 1.995 1.00 0.00 N ATOM 134 CA TYR A 11 7.450 -3.774 1.268 1.00 0.00 C ATOM 135 C TYR A 11 8.596 -4.530 0.586 1.00 0.00 C ATOM 136 O TYR A 11 9.654 -3.940 0.340 1.00 0.00 O ATOM 137 CB TYR A 11 6.399 -3.333 0.223 1.00 0.00 C ATOM 138 CG TYR A 11 5.112 -2.818 0.824 1.00 0.00 C ATOM 139 CD1 TYR A 11 5.021 -1.502 1.279 1.00 0.00 C ATOM 140 CD2 TYR A 11 3.996 -3.645 0.978 1.00 0.00 C ATOM 141 CE1 TYR A 11 3.855 -1.017 1.863 1.00 0.00 C ATOM 142 CE2 TYR A 11 2.800 -3.156 1.499 1.00 0.00 C ATOM 143 CZ TYR A 11 2.736 -1.835 1.939 1.00 0.00 C ATOM 144 OH TYR A 11 1.595 -1.313 2.482 1.00 0.00 O ATOM 0 H TYR A 11 7.561 -1.733 1.695 1.00 0.00 H new ATOM 0 HA TYR A 11 6.969 -4.444 1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.831 -2.554 -0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.172 -4.178 -0.427 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.873 -0.847 1.176 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.062 -4.683 0.688 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.821 -0.011 2.255 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.931 -3.794 1.561 1.00 0.00 H new ATOM 0 HH TYR A 11 0.838 -1.902 2.282 1.00 0.00 H new ATOM 154 N PRO A 12 8.410 -5.801 0.213 1.00 0.00 N ATOM 155 CA PRO A 12 7.109 -6.473 0.311 1.00 0.00 C ATOM 156 C PRO A 12 6.868 -6.897 1.749 1.00 0.00 C ATOM 157 O PRO A 12 7.790 -7.270 2.473 1.00 0.00 O ATOM 158 CB PRO A 12 7.329 -7.502 -0.793 1.00 0.00 C ATOM 159 CG PRO A 12 8.832 -7.630 -0.975 1.00 0.00 C ATOM 160 CD PRO A 12 9.509 -6.681 -0.004 1.00 0.00 C ATOM 0 HA PRO A 12 6.173 -5.941 0.143 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.889 -8.461 -0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.852 -7.183 -1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.151 -8.655 -0.790 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.113 -7.389 -2.000 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.845 -7.174 0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.376 -6.180 -0.434 1.00 0.00 H new ATOM 168 N LYS A 13 5.643 -6.652 2.216 1.00 0.00 N ATOM 169 CA LYS A 13 5.260 -7.019 3.572 1.00 0.00 C ATOM 170 C LYS A 13 5.212 -8.543 3.710 1.00 0.00 C ATOM 171 O LYS A 13 4.947 -9.237 2.720 1.00 0.00 O ATOM 172 CB LYS A 13 3.898 -6.441 3.955 1.00 0.00 C ATOM 173 CG LYS A 13 3.982 -5.134 4.748 1.00 0.00 C ATOM 174 CD LYS A 13 2.932 -4.121 4.336 1.00 0.00 C ATOM 175 CE LYS A 13 2.096 -3.613 5.441 1.00 0.00 C ATOM 176 NZ LYS A 13 0.749 -3.242 4.989 1.00 0.00 N ATOM 0 H LYS A 13 4.905 -6.203 1.675 1.00 0.00 H new ATOM 0 HA LYS A 13 6.011 -6.603 4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.319 -6.268 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.354 -7.179 4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.871 -5.352 5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.972 -4.698 4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.429 -3.277 3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.283 -4.575 3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.021 -4.374 6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.579 -2.745 5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.248 -2.751 5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.821 -2.612 4.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.223 -4.099 4.725 1.00 0.00 H new ATOM 190 N PRO A 14 5.239 -9.086 4.936 1.00 0.00 N ATOM 191 CA PRO A 14 5.235 -10.537 5.159 1.00 0.00 C ATOM 192 C PRO A 14 3.836 -11.076 4.931 1.00 0.00 C ATOM 193 O PRO A 14 3.596 -11.880 4.029 1.00 0.00 O ATOM 194 CB PRO A 14 5.870 -10.530 6.545 1.00 0.00 C ATOM 195 CG PRO A 14 5.651 -9.140 7.119 1.00 0.00 C ATOM 196 CD PRO A 14 4.910 -8.313 6.084 1.00 0.00 C ATOM 0 HA PRO A 14 5.776 -11.222 4.507 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.415 -11.288 7.183 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.934 -10.761 6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.076 -9.196 8.043 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.606 -8.675 7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.837 -8.263 6.269 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.271 -7.286 6.023 1.00 0.00 H new ATOM 204 N ALA A 15 2.883 -10.533 5.687 1.00 0.00 N ATOM 205 CA ALA A 15 1.504 -11.001 5.618 1.00 0.00 C ATOM 206 C ALA A 15 0.551 -9.818 5.459 1.00 0.00 C ATOM 207 O ALA A 15 0.221 -9.144 6.437 1.00 0.00 O ATOM 208 CB ALA A 15 1.160 -11.819 6.858 1.00 0.00 C ATOM 0 H ALA A 15 3.041 -9.774 6.350 1.00 0.00 H new ATOM 0 HA ALA A 15 1.393 -11.645 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.127 -12.162 6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.825 -12.680 6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.281 -11.200 7.747 1.00 0.00 H new ATOM 214 N CYS A 16 -0.074 -9.742 4.288 1.00 0.00 N ATOM 215 CA CYS A 16 -1.245 -8.888 4.103 1.00 0.00 C ATOM 216 C CYS A 16 -2.378 -9.354 5.010 1.00 0.00 C ATOM 217 O CYS A 16 -2.204 -10.267 5.819 1.00 0.00 O ATOM 218 CB CYS A 16 -1.673 -8.850 2.639 1.00 0.00 C ATOM 219 SG CYS A 16 -0.376 -8.331 1.490 1.00 0.00 S ATOM 0 H CYS A 16 0.209 -10.259 3.455 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.983 -7.868 4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.021 -9.842 2.350 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.521 -8.173 2.539 1.00 0.00 H new ATOM 224 N THR A 17 -3.579 -8.860 4.723 1.00 0.00 N ATOM 225 CA THR A 17 -4.788 -9.390 5.345 1.00 0.00 C ATOM 226 C THR A 17 -5.998 -9.128 4.461 1.00 0.00 C ATOM 227 O THR A 17 -7.067 -8.739 4.930 1.00 0.00 O ATOM 228 CB THR A 17 -4.992 -8.803 6.802 1.00 0.00 C ATOM 229 OG1 THR A 17 -5.809 -9.742 7.541 1.00 0.00 O ATOM 230 CG2 THR A 17 -5.512 -7.366 6.837 1.00 0.00 C ATOM 0 H THR A 17 -3.741 -8.096 4.066 1.00 0.00 H new ATOM 0 HA THR A 17 -4.674 -10.469 5.449 1.00 0.00 H new ATOM 0 HB THR A 17 -4.020 -8.704 7.286 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.952 -9.406 8.450 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.622 -7.044 7.873 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.806 -6.711 6.327 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.479 -7.317 6.337 1.00 0.00 H new ATOM 238 N LEU A 18 -5.857 -9.474 3.182 1.00 0.00 N ATOM 239 CA LEU A 18 -6.993 -9.500 2.270 1.00 0.00 C ATOM 240 C LEU A 18 -7.931 -10.650 2.623 1.00 0.00 C ATOM 241 O LEU A 18 -7.742 -11.769 2.121 1.00 0.00 O ATOM 242 CB LEU A 18 -6.445 -9.563 0.835 1.00 0.00 C ATOM 243 CG LEU A 18 -7.117 -8.673 -0.197 1.00 0.00 C ATOM 244 CD1 LEU A 18 -8.612 -8.971 -0.199 1.00 0.00 C ATOM 245 CD2 LEU A 18 -6.876 -7.202 0.111 1.00 0.00 C ATOM 0 H LEU A 18 -4.968 -9.739 2.757 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.598 -8.598 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.386 -9.308 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.515 -10.595 0.490 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.693 -8.880 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.108 -8.339 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.774 -10.019 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.025 -8.769 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.368 -6.587 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.282 -6.965 1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.805 -6.999 0.103 1.00 0.00 H new ATOM 257 N GLU A 19 -6.066 -4.723 4.391 1.00 0.00 N ATOM 258 CA GLU A 19 -7.488 -4.656 4.005 1.00 0.00 C ATOM 259 C GLU A 19 -7.608 -4.214 2.556 1.00 0.00 C ATOM 260 O GLU A 19 -6.705 -4.417 1.746 1.00 0.00 O ATOM 261 CB GLU A 19 -8.159 -3.666 4.961 1.00 0.00 C ATOM 262 CG GLU A 19 -7.878 -2.275 5.014 1.00 0.00 C ATOM 263 CD GLU A 19 -6.653 -1.854 5.771 1.00 0.00 C ATOM 264 OE1 GLU A 19 -6.709 -2.180 6.977 1.00 0.00 O ATOM 265 OE2 GLU A 19 -5.665 -1.362 5.253 1.00 0.00 O ATOM 0 HA GLU A 19 -7.975 -5.628 4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.230 -3.750 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.977 -4.048 5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.786 -1.909 3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.738 -1.773 5.456 1.00 0.00 H new ATOM 271 N TYR A 20 -8.768 -3.651 2.221 1.00 0.00 N ATOM 272 CA TYR A 20 -9.049 -3.239 0.859 1.00 0.00 C ATOM 273 C TYR A 20 -9.052 -1.706 0.756 1.00 0.00 C ATOM 274 O TYR A 20 -9.780 -1.047 1.509 1.00 0.00 O ATOM 275 CB TYR A 20 -10.398 -3.802 0.363 1.00 0.00 C ATOM 276 CG TYR A 20 -10.720 -3.431 -1.075 1.00 0.00 C ATOM 277 CD1 TYR A 20 -11.071 -2.125 -1.423 1.00 0.00 C ATOM 278 CD2 TYR A 20 -10.429 -4.327 -2.105 1.00 0.00 C ATOM 279 CE1 TYR A 20 -11.129 -1.720 -2.757 1.00 0.00 C ATOM 280 CE2 TYR A 20 -10.542 -3.957 -3.442 1.00 0.00 C ATOM 281 CZ TYR A 20 -10.902 -2.656 -3.764 1.00 0.00 C ATOM 282 OH TYR A 20 -11.042 -2.339 -5.086 1.00 0.00 O ATOM 0 H TYR A 20 -9.526 -3.472 2.880 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.261 -3.642 0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -10.385 -4.888 0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -11.195 -3.437 1.011 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.302 -1.414 -0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.109 -5.329 -1.859 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -11.347 -0.692 -3.006 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.351 -4.677 -4.224 1.00 0.00 H new ATOM 0 HH TYR A 20 -10.839 -3.125 -5.634 1.00 0.00 H new ATOM 292 N ARG A 21 -8.615 -1.220 -0.405 1.00 0.00 N ATOM 293 CA ARG A 21 -9.010 0.097 -0.894 1.00 0.00 C ATOM 294 C ARG A 21 -8.295 0.393 -2.218 1.00 0.00 C ATOM 295 O ARG A 21 -7.136 0.021 -2.396 1.00 0.00 O ATOM 296 CB ARG A 21 -8.709 1.202 0.119 1.00 0.00 C ATOM 297 CG ARG A 21 -7.304 1.172 0.704 1.00 0.00 C ATOM 298 CD ARG A 21 -6.391 2.121 0.004 1.00 0.00 C ATOM 299 NE ARG A 21 -5.965 3.211 0.871 1.00 0.00 N ATOM 300 CZ ARG A 21 -6.534 4.418 0.862 1.00 0.00 C ATOM 301 NH1 ARG A 21 -7.666 4.647 0.204 1.00 0.00 N ATOM 302 NH2 ARG A 21 -5.984 5.403 1.573 1.00 0.00 N ATOM 0 H ARG A 21 -7.983 -1.724 -1.027 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.089 0.082 -1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.866 2.168 -0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.428 1.132 0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.346 1.424 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.902 0.161 0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.515 1.582 -0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.896 2.530 -0.871 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.194 3.043 1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.119 3.891 -0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.081 5.579 0.212 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.138 5.229 2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.409 6.330 1.574 1.00 0.00 H new ATOM 316 N PRO A 22 -9.002 0.915 -3.230 1.00 0.00 N ATOM 317 CA PRO A 22 -8.561 0.881 -4.630 1.00 0.00 C ATOM 318 C PRO A 22 -7.662 2.074 -4.904 1.00 0.00 C ATOM 319 O PRO A 22 -8.018 3.219 -4.612 1.00 0.00 O ATOM 320 CB PRO A 22 -9.952 0.783 -5.255 1.00 0.00 C ATOM 321 CG PRO A 22 -10.904 1.437 -4.265 1.00 0.00 C ATOM 322 CD PRO A 22 -10.147 1.704 -2.975 1.00 0.00 C ATOM 0 HA PRO A 22 -7.909 0.096 -5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -9.983 1.290 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -10.228 -0.257 -5.433 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -11.296 2.368 -4.674 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -11.759 0.788 -4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -9.910 2.759 -2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -10.694 1.380 -2.090 1.00 0.00 H new ATOM 330 N LEU A 23 -6.591 1.833 -5.661 1.00 0.00 N ATOM 331 CA LEU A 23 -5.868 2.910 -6.330 1.00 0.00 C ATOM 332 C LEU A 23 -5.801 2.640 -7.832 1.00 0.00 C ATOM 333 O LEU A 23 -6.375 1.663 -8.320 1.00 0.00 O ATOM 334 CB LEU A 23 -4.492 3.051 -5.664 1.00 0.00 C ATOM 335 CG LEU A 23 -4.400 2.748 -4.181 1.00 0.00 C ATOM 336 CD1 LEU A 23 -3.994 1.298 -3.943 1.00 0.00 C ATOM 337 CD2 LEU A 23 -3.382 3.684 -3.539 1.00 0.00 C ATOM 0 H LEU A 23 -6.207 0.902 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.384 3.864 -6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.796 2.394 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.145 4.072 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.381 2.902 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.936 1.108 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.735 0.635 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.021 1.113 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.313 3.470 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.407 3.535 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.697 4.718 -3.682 1.00 0.00 H new ATOM 349 N CYS A 24 -4.917 3.372 -8.504 1.00 0.00 N ATOM 350 CA CYS A 24 -4.516 3.014 -9.864 1.00 0.00 C ATOM 351 C CYS A 24 -3.001 3.111 -10.000 1.00 0.00 C ATOM 352 O CYS A 24 -2.393 4.111 -9.619 1.00 0.00 O ATOM 353 CB CYS A 24 -5.235 3.883 -10.893 1.00 0.00 C ATOM 354 SG CYS A 24 -5.102 3.295 -12.598 1.00 0.00 S ATOM 0 H CYS A 24 -4.467 4.210 -8.135 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.808 1.982 -10.060 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.290 3.944 -10.625 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.833 4.895 -10.839 1.00 0.00 H new ATOM 359 N GLY A 25 -2.387 1.966 -10.299 1.00 0.00 N ATOM 360 CA GLY A 25 -0.943 1.911 -10.474 1.00 0.00 C ATOM 361 C GLY A 25 -0.520 2.788 -11.653 1.00 0.00 C ATOM 362 O GLY A 25 -1.367 3.265 -12.411 1.00 0.00 O ATOM 0 H GLY A 25 -2.865 1.074 -10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.446 2.248 -9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.629 0.881 -10.646 1.00 0.00 H new ATOM 366 N SER A 26 0.768 2.709 -11.979 1.00 0.00 N ATOM 367 CA SER A 26 1.273 3.220 -13.247 1.00 0.00 C ATOM 368 C SER A 26 1.430 2.086 -14.250 1.00 0.00 C ATOM 369 O SER A 26 2.309 2.100 -15.109 1.00 0.00 O ATOM 370 CB SER A 26 2.577 3.985 -13.059 1.00 0.00 C ATOM 371 OG SER A 26 2.759 4.959 -14.071 1.00 0.00 O ATOM 0 H SER A 26 1.481 2.294 -11.379 1.00 0.00 H new ATOM 0 HA SER A 26 0.544 3.926 -13.645 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.578 4.469 -12.082 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.414 3.287 -13.070 1.00 0.00 H new ATOM 0 HG SER A 26 3.604 5.433 -13.921 1.00 0.00 H new ATOM 377 N ASP A 27 0.570 1.078 -14.115 1.00 0.00 N ATOM 378 CA ASP A 27 0.784 -0.193 -14.805 1.00 0.00 C ATOM 379 C ASP A 27 -0.422 -0.541 -15.666 1.00 0.00 C ATOM 380 O ASP A 27 -0.686 -1.708 -15.955 1.00 0.00 O ATOM 381 CB ASP A 27 1.184 -1.289 -13.816 1.00 0.00 C ATOM 382 CG ASP A 27 0.060 -1.681 -12.875 1.00 0.00 C ATOM 383 OD1 ASP A 27 -0.917 -0.932 -12.709 1.00 0.00 O ATOM 384 OD2 ASP A 27 0.069 -2.869 -12.477 1.00 0.00 O ATOM 0 H ASP A 27 -0.272 1.115 -13.541 1.00 0.00 H new ATOM 0 HA ASP A 27 1.625 -0.099 -15.492 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.509 -2.169 -14.370 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.038 -0.948 -13.230 1.00 0.00 H new ATOM 389 N ASN A 28 -1.283 0.461 -15.862 1.00 0.00 N ATOM 390 CA ASN A 28 -2.463 0.282 -16.700 1.00 0.00 C ATOM 391 C ASN A 28 -3.433 -0.704 -16.055 1.00 0.00 C ATOM 392 O ASN A 28 -4.351 -1.202 -16.710 1.00 0.00 O ATOM 393 CB ASN A 28 -2.083 -0.066 -18.138 1.00 0.00 C ATOM 394 CG ASN A 28 -2.042 1.143 -19.054 1.00 0.00 C ATOM 395 OD1 ASN A 28 -2.490 1.076 -20.209 1.00 0.00 O ATOM 396 ND2 ASN A 28 -1.570 2.271 -18.525 1.00 0.00 N ATOM 0 H ASN A 28 -1.185 1.392 -15.456 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.996 1.230 -16.771 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.106 -0.550 -18.142 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.798 -0.788 -18.532 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.567 3.130 -19.075 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.212 2.276 -17.570 1.00 0.00 H new ATOM 403 N LYS A 29 -3.432 -0.692 -14.719 1.00 0.00 N ATOM 404 CA LYS A 29 -4.396 -1.468 -13.955 1.00 0.00 C ATOM 405 C LYS A 29 -4.624 -0.847 -12.580 1.00 0.00 C ATOM 406 O LYS A 29 -3.673 -0.525 -11.866 1.00 0.00 O ATOM 407 CB LYS A 29 -3.960 -2.922 -13.781 1.00 0.00 C ATOM 408 CG LYS A 29 -2.448 -3.117 -13.677 1.00 0.00 C ATOM 409 CD LYS A 29 -1.966 -4.401 -14.325 1.00 0.00 C ATOM 410 CE LYS A 29 -1.454 -5.413 -13.382 1.00 0.00 C ATOM 411 NZ LYS A 29 -2.121 -6.711 -13.547 1.00 0.00 N ATOM 0 H LYS A 29 -2.776 -0.155 -14.152 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.325 -1.455 -14.525 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.429 -3.325 -12.883 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.333 -3.504 -14.624 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.946 -2.270 -14.145 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.159 -3.117 -12.626 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.788 -4.836 -14.893 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.179 -4.158 -15.039 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.381 -5.536 -13.530 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.596 -5.060 -12.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.730 -7.391 -12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.142 -6.601 -13.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.964 -7.061 -14.514 1.00 0.00 H new ATOM 425 N THR A 30 -5.877 -0.891 -12.136 1.00 0.00 N ATOM 426 CA THR A 30 -6.202 -0.626 -10.738 1.00 0.00 C ATOM 427 C THR A 30 -5.610 -1.711 -9.843 1.00 0.00 C ATOM 428 O THR A 30 -5.656 -2.897 -10.175 1.00 0.00 O ATOM 429 CB THR A 30 -7.768 -0.515 -10.520 1.00 0.00 C ATOM 430 OG1 THR A 30 -8.207 0.623 -11.329 1.00 0.00 O ATOM 431 CG2 THR A 30 -8.185 -0.374 -9.057 1.00 0.00 C ATOM 0 H THR A 30 -6.683 -1.107 -12.723 1.00 0.00 H new ATOM 0 HA THR A 30 -5.762 0.333 -10.465 1.00 0.00 H new ATOM 0 HB THR A 30 -8.249 -1.442 -10.830 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.175 0.738 -11.233 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.271 -0.304 -8.993 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.844 -1.244 -8.496 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.738 0.527 -8.636 1.00 0.00 H new ATOM 439 N TYR A 31 -5.252 -1.314 -8.625 1.00 0.00 N ATOM 440 CA TYR A 31 -4.945 -2.277 -7.572 1.00 0.00 C ATOM 441 C TYR A 31 -6.068 -2.313 -6.543 1.00 0.00 C ATOM 442 O TYR A 31 -6.453 -1.285 -5.986 1.00 0.00 O ATOM 443 CB TYR A 31 -3.593 -1.952 -6.905 1.00 0.00 C ATOM 444 CG TYR A 31 -2.388 -2.453 -7.674 1.00 0.00 C ATOM 445 CD1 TYR A 31 -2.156 -3.824 -7.797 1.00 0.00 C ATOM 446 CD2 TYR A 31 -1.630 -1.588 -8.470 1.00 0.00 C ATOM 447 CE1 TYR A 31 -1.134 -4.317 -8.602 1.00 0.00 C ATOM 448 CE2 TYR A 31 -0.565 -2.060 -9.236 1.00 0.00 C ATOM 449 CZ TYR A 31 -0.349 -3.434 -9.330 1.00 0.00 C ATOM 450 OH TYR A 31 0.590 -3.959 -10.175 1.00 0.00 O ATOM 0 H TYR A 31 -5.168 -0.337 -8.344 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.862 -3.266 -8.023 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.510 -0.872 -6.784 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.579 -2.387 -5.906 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.783 -4.517 -7.256 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.874 -0.536 -8.492 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.953 -5.380 -8.660 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.086 -1.369 -9.751 1.00 0.00 H new ATOM 0 HH TYR A 31 0.724 -3.352 -10.933 1.00 0.00 H new ATOM 460 N GLY A 32 -6.400 -3.530 -6.114 1.00 0.00 N ATOM 461 CA GLY A 32 -7.456 -3.720 -5.129 1.00 0.00 C ATOM 462 C GLY A 32 -7.095 -3.033 -3.819 1.00 0.00 C ATOM 463 O GLY A 32 -7.905 -2.319 -3.229 1.00 0.00 O ATOM 0 H GLY A 32 -5.955 -4.391 -6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.394 -3.317 -5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.613 -4.785 -4.957 1.00 0.00 H new ATOM 467 N ASN A 33 -5.913 -3.365 -3.307 1.00 0.00 N ATOM 468 CA ASN A 33 -5.496 -2.901 -1.992 1.00 0.00 C ATOM 469 C ASN A 33 -4.119 -2.248 -2.073 1.00 0.00 C ATOM 470 O ASN A 33 -3.328 -2.550 -2.966 1.00 0.00 O ATOM 471 CB ASN A 33 -5.600 -4.008 -0.945 1.00 0.00 C ATOM 472 CG ASN A 33 -5.072 -5.345 -1.431 1.00 0.00 C ATOM 473 OD1 ASN A 33 -5.537 -5.873 -2.454 1.00 0.00 O ATOM 474 ND2 ASN A 33 -4.206 -5.964 -0.629 1.00 0.00 N ATOM 0 H ASN A 33 -5.229 -3.953 -3.784 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.184 -2.127 -1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.048 -3.709 -0.054 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.643 -4.123 -0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.898 -6.912 -0.845 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.851 -5.490 0.201 1.00 0.00 H new ATOM 481 N LYS A 34 -3.744 -1.603 -0.967 1.00 0.00 N ATOM 482 CA LYS A 34 -2.411 -1.030 -0.839 1.00 0.00 C ATOM 483 C LYS A 34 -1.354 -2.128 -0.858 1.00 0.00 C ATOM 484 O LYS A 34 -0.212 -1.907 -1.254 1.00 0.00 O ATOM 485 CB LYS A 34 -2.263 -0.212 0.446 1.00 0.00 C ATOM 486 CG LYS A 34 -1.502 1.100 0.259 1.00 0.00 C ATOM 487 CD LYS A 34 -0.436 1.326 1.314 1.00 0.00 C ATOM 488 CE LYS A 34 -0.365 2.704 1.836 1.00 0.00 C ATOM 489 NZ LYS A 34 1.021 3.141 2.054 1.00 0.00 N ATOM 0 H LYS A 34 -4.344 -1.467 -0.153 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.267 -0.364 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.255 0.007 0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.748 -0.816 1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.036 1.105 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.209 1.929 0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.618 0.646 2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.534 1.061 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.853 3.382 1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.916 2.765 2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.025 4.114 2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.480 2.510 2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.541 3.108 1.154 1.00 0.00 H new ATOM 503 N CYS A 35 -1.731 -3.291 -0.334 1.00 0.00 N ATOM 504 CA CYS A 35 -0.784 -4.386 -0.160 1.00 0.00 C ATOM 505 C CYS A 35 -0.472 -5.041 -1.498 1.00 0.00 C ATOM 506 O CYS A 35 0.462 -5.835 -1.617 1.00 0.00 O ATOM 507 CB CYS A 35 -1.308 -5.403 0.855 1.00 0.00 C ATOM 508 SG CYS A 35 -0.024 -6.345 1.711 1.00 0.00 S ATOM 0 H CYS A 35 -2.681 -3.498 -0.024 1.00 0.00 H new ATOM 0 HA CYS A 35 0.146 -3.979 0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.910 -4.879 1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.970 -6.100 0.342 1.00 0.00 H new ATOM 513 N ASN A 36 -1.384 -4.855 -2.448 1.00 0.00 N ATOM 514 CA ASN A 36 -1.219 -5.416 -3.780 1.00 0.00 C ATOM 515 C ASN A 36 -0.656 -4.369 -4.740 1.00 0.00 C ATOM 516 O ASN A 36 0.155 -4.692 -5.612 1.00 0.00 O ATOM 517 CB ASN A 36 -2.500 -6.087 -4.273 1.00 0.00 C ATOM 518 CG ASN A 36 -2.672 -7.504 -3.756 1.00 0.00 C ATOM 519 OD1 ASN A 36 -2.503 -7.678 -2.446 1.00 0.00 O flip ATOM 520 ND2 ASN A 36 -2.960 -8.430 -4.528 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.243 -4.320 -2.318 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.480 -6.216 -3.735 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.357 -5.489 -3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.498 -6.103 -5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.079 -8.245 -5.524 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.078 -9.377 -4.167 1.00 0.00 H new ATOM 527 N PHE A 37 -0.859 -3.107 -4.384 1.00 0.00 N ATOM 528 CA PHE A 37 -0.109 -2.005 -4.991 1.00 0.00 C ATOM 529 C PHE A 37 1.381 -2.173 -4.701 1.00 0.00 C ATOM 530 O PHE A 37 2.201 -2.140 -5.625 1.00 0.00 O ATOM 531 CB PHE A 37 -0.589 -0.619 -4.504 1.00 0.00 C ATOM 532 CG PHE A 37 0.177 0.531 -5.096 1.00 0.00 C ATOM 533 CD1 PHE A 37 0.089 0.712 -6.479 1.00 0.00 C ATOM 534 CD2 PHE A 37 1.075 1.305 -4.361 1.00 0.00 C ATOM 535 CE1 PHE A 37 0.863 1.664 -7.125 1.00 0.00 C ATOM 536 CE2 PHE A 37 1.882 2.257 -4.995 1.00 0.00 C ATOM 537 CZ PHE A 37 1.787 2.410 -6.390 1.00 0.00 C ATOM 0 H PHE A 37 -1.536 -2.817 -3.678 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.288 -2.045 -6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.645 -0.504 -4.748 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.507 -0.577 -3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.592 0.101 -7.053 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.148 1.168 -3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.752 1.827 -8.187 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.567 2.865 -4.422 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.434 3.110 -6.897 1.00 0.00 H new ATOM 547 N CYS A 38 1.732 -2.017 -3.427 1.00 0.00 N ATOM 548 CA CYS A 38 3.126 -1.879 -3.029 1.00 0.00 C ATOM 549 C CYS A 38 3.919 -3.123 -3.417 1.00 0.00 C ATOM 550 O CYS A 38 5.151 -3.107 -3.441 1.00 0.00 O ATOM 551 CB CYS A 38 3.245 -1.587 -1.534 1.00 0.00 C ATOM 552 SG CYS A 38 2.358 -0.106 -0.991 1.00 0.00 S ATOM 0 H CYS A 38 1.068 -1.983 -2.654 1.00 0.00 H new ATOM 0 HA CYS A 38 3.551 -1.029 -3.562 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.870 -2.446 -0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.299 -1.478 -1.280 1.00 0.00 H new ATOM 557 N ASN A 39 3.220 -4.262 -3.372 1.00 0.00 N ATOM 558 CA ASN A 39 3.850 -5.540 -3.680 1.00 0.00 C ATOM 559 C ASN A 39 4.097 -5.658 -5.183 1.00 0.00 C ATOM 560 O ASN A 39 5.115 -6.205 -5.609 1.00 0.00 O ATOM 561 CB ASN A 39 3.074 -6.708 -3.080 1.00 0.00 C ATOM 562 CG ASN A 39 3.345 -6.911 -1.599 1.00 0.00 C ATOM 563 OD1 ASN A 39 2.923 -5.945 -0.785 1.00 0.00 O flip ATOM 564 ND2 ASN A 39 3.834 -7.973 -1.186 1.00 0.00 N flip ATOM 0 H ASN A 39 2.231 -4.321 -3.128 1.00 0.00 H new ATOM 0 HA ASN A 39 4.829 -5.582 -3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.007 -6.541 -3.228 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.331 -7.621 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.143 -8.684 -1.849 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.927 -8.136 -0.183 1.00 0.00 H new ATOM 571 N ALA A 40 3.293 -4.926 -5.950 1.00 0.00 N ATOM 572 CA ALA A 40 3.597 -4.690 -7.360 1.00 0.00 C ATOM 573 C ALA A 40 4.869 -3.863 -7.492 1.00 0.00 C ATOM 574 O ALA A 40 5.732 -4.142 -8.320 1.00 0.00 O ATOM 575 CB ALA A 40 2.418 -4.005 -8.042 1.00 0.00 C ATOM 0 H ALA A 40 2.432 -4.488 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 40 3.765 -5.646 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.655 -3.834 -9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.535 -4.640 -7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.220 -3.051 -7.554 1.00 0.00 H new ATOM 581 N VAL A 41 4.973 -2.842 -6.646 1.00 0.00 N ATOM 582 CA VAL A 41 6.085 -1.906 -6.720 1.00 0.00 C ATOM 583 C VAL A 41 7.407 -2.626 -6.480 1.00 0.00 C ATOM 584 O VAL A 41 8.378 -2.433 -7.209 1.00 0.00 O ATOM 585 CB VAL A 41 5.856 -0.717 -5.762 1.00 0.00 C ATOM 586 CG1 VAL A 41 6.995 0.294 -5.808 1.00 0.00 C ATOM 587 CG2 VAL A 41 4.519 -0.041 -6.018 1.00 0.00 C ATOM 0 H VAL A 41 4.302 -2.644 -5.904 1.00 0.00 H new ATOM 0 HA VAL A 41 6.140 -1.487 -7.725 1.00 0.00 H new ATOM 0 HB VAL A 41 5.836 -1.133 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.785 1.110 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.927 -0.194 -5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.089 0.690 -6.819 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.393 0.791 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.490 0.332 -7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.713 -0.761 -5.871 1.00 0.00 H new ATOM 597 N VAL A 42 7.462 -3.370 -5.377 1.00 0.00 N ATOM 598 CA VAL A 42 8.727 -3.913 -4.895 1.00 0.00 C ATOM 599 C VAL A 42 9.168 -5.081 -5.778 1.00 0.00 C ATOM 600 O VAL A 42 10.296 -5.096 -6.275 1.00 0.00 O ATOM 601 CB VAL A 42 8.628 -4.273 -3.401 1.00 0.00 C ATOM 602 CG1 VAL A 42 8.483 -3.043 -2.511 1.00 0.00 C ATOM 603 CG2 VAL A 42 7.510 -5.269 -3.133 1.00 0.00 C ATOM 0 H VAL A 42 6.652 -3.608 -4.805 1.00 0.00 H new ATOM 0 HA VAL A 42 9.507 -3.155 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 42 9.574 -4.749 -3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.417 -3.354 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.349 -2.395 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.578 -2.500 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.473 -5.497 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.558 -4.840 -3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.696 -6.185 -3.694 1.00 0.00 H new ATOM 613 N GLU A 43 8.167 -5.818 -6.262 1.00 0.00 N ATOM 614 CA GLU A 43 8.384 -6.825 -7.287 1.00 0.00 C ATOM 615 C GLU A 43 8.831 -6.170 -8.592 1.00 0.00 C ATOM 616 O GLU A 43 9.314 -6.846 -9.503 1.00 0.00 O ATOM 617 CB GLU A 43 7.067 -7.589 -7.474 1.00 0.00 C ATOM 618 CG GLU A 43 6.620 -8.645 -6.638 1.00 0.00 C ATOM 619 CD GLU A 43 7.070 -8.621 -5.207 1.00 0.00 C ATOM 620 OE1 GLU A 43 6.936 -7.665 -4.464 1.00 0.00 O ATOM 621 OE2 GLU A 43 7.664 -9.672 -4.882 1.00 0.00 O ATOM 0 H GLU A 43 7.198 -5.732 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 43 9.174 -7.514 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.278 -6.837 -7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.097 -7.997 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.530 -8.648 -6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.946 -9.587 -7.079 1.00 0.00 H new ATOM 628 N SER A 44 8.374 -4.934 -8.784 1.00 0.00 N ATOM 629 CA SER A 44 8.563 -4.235 -10.045 1.00 0.00 C ATOM 630 C SER A 44 9.968 -3.636 -10.115 1.00 0.00 C ATOM 631 O SER A 44 10.573 -3.585 -11.190 1.00 0.00 O ATOM 632 CB SER A 44 7.499 -3.167 -10.260 1.00 0.00 C ATOM 633 OG SER A 44 7.751 -2.409 -11.428 1.00 0.00 O ATOM 0 H SER A 44 7.869 -4.398 -8.078 1.00 0.00 H new ATOM 0 HA SER A 44 8.456 -4.961 -10.851 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.519 -3.639 -10.336 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.468 -2.504 -9.395 1.00 0.00 H new ATOM 0 HG SER A 44 6.902 -2.100 -11.807 1.00 0.00 H new ATOM 639 N ASN A 45 10.593 -3.539 -8.942 1.00 0.00 N ATOM 640 CA ASN A 45 12.012 -3.238 -8.848 1.00 0.00 C ATOM 641 C ASN A 45 12.278 -1.784 -9.228 1.00 0.00 C ATOM 642 O ASN A 45 13.284 -1.478 -9.873 1.00 0.00 O ATOM 643 CB ASN A 45 12.861 -4.248 -9.618 1.00 0.00 C ATOM 644 CG ASN A 45 14.320 -4.247 -9.202 1.00 0.00 C ATOM 645 OD1 ASN A 45 14.637 -4.258 -8.003 1.00 0.00 O ATOM 646 ND2 ASN A 45 15.215 -4.273 -10.189 1.00 0.00 N ATOM 0 H ASN A 45 10.131 -3.666 -8.041 1.00 0.00 H new ATOM 0 HA ASN A 45 12.325 -3.345 -7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.449 -5.246 -9.470 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.794 -4.030 -10.684 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.211 -4.303 -9.973 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.904 -4.262 -11.160 1.00 0.00 H new ATOM 653 N GLY A 46 11.521 -0.884 -8.605 1.00 0.00 N ATOM 654 CA GLY A 46 11.867 0.533 -8.600 1.00 0.00 C ATOM 655 C GLY A 46 11.085 1.278 -9.673 1.00 0.00 C ATOM 656 O GLY A 46 10.781 2.462 -9.538 1.00 0.00 O ATOM 0 H GLY A 46 10.666 -1.111 -8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.652 0.962 -7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.937 0.653 -8.773 1.00 0.00 H new ATOM 660 N THR A 47 10.612 0.520 -10.660 1.00 0.00 N ATOM 661 CA THR A 47 9.797 1.080 -11.728 1.00 0.00 C ATOM 662 C THR A 47 8.502 1.663 -11.149 1.00 0.00 C ATOM 663 O THR A 47 8.298 2.880 -11.203 1.00 0.00 O ATOM 664 CB THR A 47 9.488 0.010 -12.851 1.00 0.00 C ATOM 665 OG1 THR A 47 10.779 -0.292 -13.480 1.00 0.00 O ATOM 666 CG2 THR A 47 8.445 0.443 -13.879 1.00 0.00 C ATOM 0 H THR A 47 10.781 -0.483 -10.740 1.00 0.00 H new ATOM 0 HA THR A 47 10.363 1.883 -12.201 1.00 0.00 H new ATOM 0 HB THR A 47 9.031 -0.868 -12.395 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.650 -0.956 -14.189 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.300 -0.354 -14.608 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.501 0.650 -13.375 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.789 1.343 -14.389 1.00 0.00 H new ATOM 674 N LEU A 48 7.510 0.785 -10.998 1.00 0.00 N ATOM 675 CA LEU A 48 6.113 1.199 -10.935 1.00 0.00 C ATOM 676 C LEU A 48 5.889 2.143 -9.761 1.00 0.00 C ATOM 677 O LEU A 48 6.482 1.986 -8.695 1.00 0.00 O ATOM 678 CB LEU A 48 5.246 -0.068 -10.897 1.00 0.00 C ATOM 679 CG LEU A 48 3.808 0.093 -10.439 1.00 0.00 C ATOM 680 CD1 LEU A 48 2.935 -1.045 -10.952 1.00 0.00 C ATOM 681 CD2 LEU A 48 3.770 0.127 -8.916 1.00 0.00 C ATOM 0 H LEU A 48 7.652 -0.222 -10.917 1.00 0.00 H new ATOM 0 HA LEU A 48 5.825 1.772 -11.816 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.236 -0.502 -11.897 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.731 -0.791 -10.241 1.00 0.00 H new ATOM 0 HG LEU A 48 3.416 1.026 -10.844 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.911 -0.902 -10.607 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.953 -1.055 -12.042 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.315 -1.994 -10.574 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.739 0.243 -8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.178 -0.803 -8.521 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.365 0.966 -8.556 1.00 0.00 H new ATOM 693 N THR A 49 4.946 3.065 -9.942 1.00 0.00 N ATOM 694 CA THR A 49 4.435 3.848 -8.810 1.00 0.00 C ATOM 695 C THR A 49 2.963 4.165 -9.031 1.00 0.00 C ATOM 696 O THR A 49 2.240 3.380 -9.655 1.00 0.00 O ATOM 697 CB THR A 49 5.312 5.131 -8.557 1.00 0.00 C ATOM 698 OG1 THR A 49 5.227 5.417 -7.121 1.00 0.00 O ATOM 699 CG2 THR A 49 4.966 6.349 -9.408 1.00 0.00 C ATOM 0 H THR A 49 4.524 3.289 -10.843 1.00 0.00 H new ATOM 0 HA THR A 49 4.510 3.256 -7.898 1.00 0.00 H new ATOM 0 HB THR A 49 6.333 4.915 -8.873 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.762 6.211 -6.913 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.631 7.173 -9.151 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.085 6.102 -10.463 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.934 6.644 -9.219 1.00 0.00 H new ATOM 707 N LEU A 50 2.468 5.143 -8.277 1.00 0.00 N ATOM 708 CA LEU A 50 1.039 5.411 -8.209 1.00 0.00 C ATOM 709 C LEU A 50 0.659 6.499 -9.213 1.00 0.00 C ATOM 710 O LEU A 50 0.924 7.682 -8.986 1.00 0.00 O ATOM 711 CB LEU A 50 0.690 5.750 -6.754 1.00 0.00 C ATOM 712 CG LEU A 50 -0.608 6.495 -6.499 1.00 0.00 C ATOM 713 CD1 LEU A 50 -1.797 5.545 -6.503 1.00 0.00 C ATOM 714 CD2 LEU A 50 -0.508 7.205 -5.153 1.00 0.00 C ATOM 0 H LEU A 50 3.040 5.763 -7.704 1.00 0.00 H new ATOM 0 HA LEU A 50 0.450 4.539 -8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.659 4.818 -6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.505 6.345 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.764 7.222 -7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.712 6.107 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.864 5.051 -7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.667 4.796 -5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.434 7.745 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.342 6.470 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.324 7.908 -5.174 1.00 0.00 H new ATOM 726 N SER A 51 -0.207 6.124 -10.151 1.00 0.00 N ATOM 727 CA SER A 51 -0.878 7.094 -11.005 1.00 0.00 C ATOM 728 C SER A 51 -1.735 8.037 -10.170 1.00 0.00 C ATOM 729 O SER A 51 -1.621 9.258 -10.267 1.00 0.00 O ATOM 730 CB SER A 51 -1.703 6.404 -12.085 1.00 0.00 C ATOM 731 OG SER A 51 -2.266 7.340 -12.986 1.00 0.00 O ATOM 0 H SER A 51 -0.459 5.153 -10.337 1.00 0.00 H new ATOM 0 HA SER A 51 -0.115 7.687 -11.510 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.073 5.703 -12.633 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.498 5.821 -11.620 1.00 0.00 H new ATOM 0 HG SER A 51 -3.141 7.629 -12.653 1.00 0.00 H new ATOM 737 N HIS A 52 -2.430 7.454 -9.195 1.00 0.00 N ATOM 738 CA HIS A 52 -3.277 8.227 -8.299 1.00 0.00 C ATOM 739 C HIS A 52 -4.069 7.293 -7.386 1.00 0.00 C ATOM 740 O HIS A 52 -4.486 6.212 -7.812 1.00 0.00 O ATOM 741 CB HIS A 52 -4.274 9.162 -9.035 1.00 0.00 C ATOM 742 CG HIS A 52 -5.113 8.415 -10.037 1.00 0.00 C ATOM 743 ND1 HIS A 52 -4.770 7.358 -10.818 1.00 0.00 N flip ATOM 744 CD2 HIS A 52 -6.482 8.496 -10.095 1.00 0.00 C flip ATOM 745 CE1 HIS A 52 -5.920 6.885 -11.391 1.00 0.00 C flip ATOM 746 NE2 HIS A 52 -6.934 7.605 -10.965 1.00 0.00 N flip ATOM 0 H HIS A 52 -2.421 6.451 -9.008 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.600 8.859 -7.724 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -4.924 9.645 -8.305 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.722 9.953 -9.542 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.093 9.178 -9.522 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.984 6.056 -12.080 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -7.906 7.496 -11.256 1.00 0.00 H new ATOM 755 N PHE A 53 -4.511 7.842 -6.258 1.00 0.00 N ATOM 756 CA PHE A 53 -5.481 7.161 -5.409 1.00 0.00 C ATOM 757 C PHE A 53 -6.899 7.429 -5.908 1.00 0.00 C ATOM 758 O PHE A 53 -7.144 8.417 -6.602 1.00 0.00 O ATOM 759 CB PHE A 53 -5.390 7.559 -3.916 1.00 0.00 C ATOM 760 CG PHE A 53 -3.971 7.617 -3.420 1.00 0.00 C ATOM 761 CD1 PHE A 53 -3.104 8.670 -3.713 1.00 0.00 C ATOM 762 CD2 PHE A 53 -3.580 6.644 -2.496 1.00 0.00 C ATOM 763 CE1 PHE A 53 -1.891 8.803 -3.025 1.00 0.00 C ATOM 764 CE2 PHE A 53 -2.332 6.691 -1.895 1.00 0.00 C ATOM 765 CZ PHE A 53 -1.480 7.764 -2.170 1.00 0.00 C ATOM 0 H PHE A 53 -4.213 8.754 -5.912 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.240 6.100 -5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.861 8.531 -3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -5.952 6.842 -3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.370 9.387 -4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.261 5.843 -2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.283 9.687 -3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.021 5.906 -1.221 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.498 7.796 -1.722 1.00 0.00 H new ATOM 775 N GLY A 54 -7.851 6.707 -5.323 1.00 0.00 N ATOM 776 CA GLY A 54 -9.263 7.020 -5.497 1.00 0.00 C ATOM 777 C GLY A 54 -9.825 6.282 -6.709 1.00 0.00 C ATOM 778 O GLY A 54 -10.493 6.876 -7.557 1.00 0.00 O ATOM 0 H GLY A 54 -7.668 5.901 -4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.818 6.738 -4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.391 8.095 -5.626 1.00 0.00 H new ATOM 782 N LYS A 55 -9.262 5.092 -6.945 1.00 0.00 N ATOM 783 CA LYS A 55 -9.600 4.316 -8.125 1.00 0.00 C ATOM 784 C LYS A 55 -9.239 5.090 -9.396 1.00 0.00 C ATOM 785 O LYS A 55 -8.704 6.197 -9.317 1.00 0.00 O ATOM 786 CB LYS A 55 -11.087 3.961 -8.175 1.00 0.00 C ATOM 787 CG LYS A 55 -11.680 3.575 -6.820 1.00 0.00 C ATOM 788 CD LYS A 55 -13.197 3.587 -6.808 1.00 0.00 C ATOM 789 CE LYS A 55 -13.816 2.532 -5.984 1.00 0.00 C ATOM 790 NZ LYS A 55 -14.076 2.984 -4.611 1.00 0.00 N ATOM 0 H LYS A 55 -8.574 4.654 -6.333 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.024 3.392 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.640 4.812 -8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.229 3.134 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.329 2.580 -6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.311 4.263 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.536 4.558 -6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.556 3.486 -7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.752 2.216 -6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.162 1.660 -5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.464 2.196 -4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.188 3.310 -4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.761 3.767 -4.627 1.00 0.00 H new ATOM 804 N CYS A 56 -9.267 4.379 -10.520 1.00 0.00 N ATOM 805 CA CYS A 56 -8.559 4.831 -11.722 1.00 0.00 C ATOM 806 C CYS A 56 -9.390 5.877 -12.455 1.00 0.00 C ATOM 807 O CYS A 56 -8.837 6.657 -13.245 1.00 0.00 O ATOM 808 CB CYS A 56 -8.220 3.646 -12.620 1.00 0.00 C ATOM 809 SG CYS A 56 -6.747 3.867 -13.645 1.00 0.00 S ATOM 810 OXT CYS A 56 -10.627 5.841 -12.384 1.00 0.00 O ATOM 0 H CYS A 56 -9.766 3.496 -10.627 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.618 5.297 -11.430 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.082 2.763 -11.996 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.071 3.446 -13.271 1.00 0.00 H new TER 815 CYS A 56