USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 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 8 TYR OH : rot -126:sc= 0.324! USER MOD Set 1.2: A 11 TYR OH : rot -155:sc= -0.926 USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= -0.0274 (180deg=-0.435) USER MOD Single : A 5 LYS NZ :NH3+ -147:sc= -0.293 (180deg=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ 137:sc= 0.717 (180deg=-0.261) USER MOD Single : A 10 ASN : amide:sc= -0.517 K(o=-0.52,f=-2.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.002 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.4!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 21 GLN : amide:sc= -5.33! C(o=-5.3!,f=-11!) USER MOD Single : A 23 ASN : amide:sc= -2.61! C(o=-2.6!,f=-9.3!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= -0.989 (180deg=-2.73!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -1.93! K(o=-1.9!,f=-0.92) USER MOD Single : A 34 SER OG : rot 180:sc= -0.244 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -155:sc= -1.33 (180deg=-2.21) USER MOD Single : A 44 ASN : amide:sc= -0.144 K(o=-0.14,f=-2.5!) USER MOD Single : A 46 GLN : amide:sc= -0.485 K(o=-0.48,f=-3.5!) USER MOD Single : A 51 TYR OH : rot 50:sc= -3.21 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 89.136 -9.826 -53.833 1.00 0.00 N ATOM 2 CA ASP A 2 88.879 -10.609 -52.630 1.00 0.00 C ATOM 3 C ASP A 2 88.881 -12.100 -52.950 1.00 0.00 C ATOM 4 O ASP A 2 87.859 -12.773 -52.824 1.00 0.00 O ATOM 5 CB ASP A 2 87.527 -10.216 -52.030 1.00 0.00 C ATOM 6 CG ASP A 2 87.605 -8.810 -51.443 1.00 0.00 C ATOM 7 OD1 ASP A 2 88.701 -8.280 -51.371 1.00 0.00 O ATOM 8 OD2 ASP A 2 86.567 -8.284 -51.075 1.00 0.00 O ATOM 0 HA ASP A 2 89.670 -10.403 -51.909 1.00 0.00 H new ATOM 0 HB2 ASP A 2 86.754 -10.256 -52.797 1.00 0.00 H new ATOM 0 HB3 ASP A 2 87.244 -10.927 -51.254 1.00 0.00 H new ATOM 13 N LYS A 3 90.037 -12.608 -53.365 1.00 0.00 N ATOM 14 CA LYS A 3 90.161 -14.021 -53.704 1.00 0.00 C ATOM 15 C LYS A 3 90.326 -14.864 -52.442 1.00 0.00 C ATOM 16 O LYS A 3 89.590 -15.826 -52.227 1.00 0.00 O ATOM 17 CB LYS A 3 91.366 -14.232 -54.622 1.00 0.00 C ATOM 18 CG LYS A 3 91.129 -13.513 -55.951 1.00 0.00 C ATOM 19 CD LYS A 3 92.279 -13.822 -56.911 1.00 0.00 C ATOM 20 CE LYS A 3 92.096 -13.022 -58.202 1.00 0.00 C ATOM 21 NZ LYS A 3 90.815 -13.418 -58.853 1.00 0.00 N ATOM 0 H LYS A 3 90.895 -12.067 -53.474 1.00 0.00 H new ATOM 0 HA LYS A 3 89.252 -14.333 -54.218 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.270 -13.851 -54.146 1.00 0.00 H new ATOM 0 HB3 LYS A 3 91.522 -15.297 -54.795 1.00 0.00 H new ATOM 0 HG2 LYS A 3 90.182 -13.833 -56.386 1.00 0.00 H new ATOM 0 HG3 LYS A 3 91.057 -12.438 -55.787 1.00 0.00 H new ATOM 0 HD2 LYS A 3 93.232 -13.570 -56.446 1.00 0.00 H new ATOM 0 HD3 LYS A 3 92.305 -14.889 -57.133 1.00 0.00 H new ATOM 0 HE2 LYS A 3 92.091 -11.954 -57.983 1.00 0.00 H new ATOM 0 HE3 LYS A 3 92.932 -13.205 -58.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 90.819 -13.107 -59.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 90.711 -14.452 -58.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 90.019 -12.971 -58.354 1.00 0.00 H new ATOM 35 N CYS A 4 91.298 -14.496 -51.613 1.00 0.00 N ATOM 36 CA CYS A 4 91.556 -15.231 -50.380 1.00 0.00 C ATOM 37 C CYS A 4 90.384 -15.140 -49.412 1.00 0.00 C ATOM 38 O CYS A 4 90.110 -16.080 -48.666 1.00 0.00 O ATOM 39 CB CYS A 4 92.786 -14.654 -49.677 1.00 0.00 C ATOM 40 SG CYS A 4 94.185 -14.640 -50.824 1.00 0.00 S ATOM 0 H CYS A 4 91.915 -13.700 -51.771 1.00 0.00 H new ATOM 0 HA CYS A 4 91.714 -16.273 -50.657 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.578 -13.642 -49.328 1.00 0.00 H new ATOM 0 HB3 CYS A 4 93.029 -15.251 -48.798 1.00 0.00 H new ATOM 45 N LYS A 5 89.710 -13.995 -49.409 1.00 0.00 N ATOM 46 CA LYS A 5 88.585 -13.784 -48.506 1.00 0.00 C ATOM 47 C LYS A 5 87.352 -14.536 -48.997 1.00 0.00 C ATOM 48 O LYS A 5 86.823 -14.246 -50.071 1.00 0.00 O ATOM 49 CB LYS A 5 88.269 -12.290 -48.405 1.00 0.00 C ATOM 50 CG LYS A 5 89.573 -11.490 -48.427 1.00 0.00 C ATOM 51 CD LYS A 5 90.468 -11.940 -47.270 1.00 0.00 C ATOM 52 CE LYS A 5 91.683 -11.015 -47.174 1.00 0.00 C ATOM 53 NZ LYS A 5 92.272 -10.828 -48.531 1.00 0.00 N ATOM 0 H LYS A 5 89.921 -13.204 -50.017 1.00 0.00 H new ATOM 0 HA LYS A 5 88.858 -14.165 -47.522 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.629 -11.986 -49.234 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.720 -12.085 -47.486 1.00 0.00 H new ATOM 0 HG2 LYS A 5 90.087 -11.638 -49.377 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.360 -10.424 -48.343 1.00 0.00 H new ATOM 0 HD2 LYS A 5 89.908 -11.921 -46.335 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.792 -12.969 -47.426 1.00 0.00 H new ATOM 0 HE2 LYS A 5 91.388 -10.052 -46.758 1.00 0.00 H new ATOM 0 HE3 LYS A 5 92.425 -11.441 -46.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 93.303 -10.717 -48.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 92.058 -11.658 -49.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 91.866 -9.978 -48.972 1.00 0.00 H new ATOM 67 N LYS A 6 86.901 -15.503 -48.207 1.00 0.00 N ATOM 68 CA LYS A 6 85.722 -16.283 -48.566 1.00 0.00 C ATOM 69 C LYS A 6 84.675 -16.213 -47.459 1.00 0.00 C ATOM 70 O LYS A 6 85.003 -16.289 -46.275 1.00 0.00 O ATOM 71 CB LYS A 6 86.116 -17.743 -48.807 1.00 0.00 C ATOM 72 CG LYS A 6 87.101 -17.820 -49.975 1.00 0.00 C ATOM 73 CD LYS A 6 87.317 -19.283 -50.366 1.00 0.00 C ATOM 74 CE LYS A 6 88.461 -19.379 -51.376 1.00 0.00 C ATOM 75 NZ LYS A 6 89.758 -19.141 -50.684 1.00 0.00 N ATOM 0 H LYS A 6 87.330 -15.765 -47.319 1.00 0.00 H new ATOM 0 HA LYS A 6 85.297 -15.865 -49.479 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.568 -18.162 -47.908 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.230 -18.339 -49.025 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.716 -17.258 -50.826 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.050 -17.364 -49.694 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.548 -19.876 -49.481 1.00 0.00 H new ATOM 0 HD3 LYS A 6 86.403 -19.694 -50.796 1.00 0.00 H new ATOM 0 HE2 LYS A 6 88.463 -20.362 -51.846 1.00 0.00 H new ATOM 0 HE3 LYS A 6 88.321 -18.646 -52.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 90.462 -19.829 -51.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 90.090 -18.177 -50.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 89.629 -19.251 -49.658 1.00 0.00 H new ATOM 89 N VAL A 7 83.414 -16.065 -47.853 1.00 0.00 N ATOM 90 CA VAL A 7 82.329 -15.961 -46.882 1.00 0.00 C ATOM 91 C VAL A 7 81.468 -17.220 -46.903 1.00 0.00 C ATOM 92 O VAL A 7 81.002 -17.648 -47.960 1.00 0.00 O ATOM 93 CB VAL A 7 81.462 -14.742 -47.197 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.830 -14.905 -48.580 1.00 0.00 C ATOM 95 CG2 VAL A 7 80.356 -14.621 -46.145 1.00 0.00 C ATOM 0 H VAL A 7 83.119 -16.015 -48.828 1.00 0.00 H new ATOM 0 HA VAL A 7 82.765 -15.850 -45.889 1.00 0.00 H new ATOM 0 HB VAL A 7 82.080 -13.844 -47.185 1.00 0.00 H new ATOM 0 HG11 VAL A 7 80.212 -14.035 -48.803 1.00 0.00 H new ATOM 0 HG12 VAL A 7 81.615 -14.994 -49.331 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.211 -15.802 -48.594 1.00 0.00 H new ATOM 0 HG21 VAL A 7 79.736 -13.752 -46.367 1.00 0.00 H new ATOM 0 HG22 VAL A 7 79.740 -15.520 -46.160 1.00 0.00 H new ATOM 0 HG23 VAL A 7 80.804 -14.504 -45.158 1.00 0.00 H new ATOM 105 N TYR A 8 81.259 -17.807 -45.729 1.00 0.00 N ATOM 106 CA TYR A 8 80.405 -18.983 -45.617 1.00 0.00 C ATOM 107 C TYR A 8 79.499 -18.871 -44.394 1.00 0.00 C ATOM 108 O TYR A 8 79.973 -18.855 -43.258 1.00 0.00 O ATOM 109 CB TYR A 8 81.263 -20.245 -45.505 1.00 0.00 C ATOM 110 CG TYR A 8 81.666 -20.458 -44.065 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.845 -19.883 -43.575 1.00 0.00 C ATOM 112 CD2 TYR A 8 80.860 -21.231 -43.220 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.218 -20.082 -42.240 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.234 -21.430 -41.886 1.00 0.00 C ATOM 115 CZ TYR A 8 82.413 -20.855 -41.396 1.00 0.00 C ATOM 116 OH TYR A 8 82.780 -21.051 -40.080 1.00 0.00 O ATOM 0 H TYR A 8 81.666 -17.491 -44.849 1.00 0.00 H new ATOM 0 HA TYR A 8 79.785 -19.045 -46.511 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.706 -21.109 -45.869 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.150 -20.150 -46.131 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.466 -19.286 -44.226 1.00 0.00 H new ATOM 0 HD2 TYR A 8 79.950 -21.673 -43.598 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.127 -19.639 -41.862 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.613 -22.027 -41.235 1.00 0.00 H new ATOM 0 HH TYR A 8 82.796 -22.011 -39.884 1.00 0.00 H new ATOM 126 N GLU A 9 78.195 -18.792 -44.637 1.00 0.00 N ATOM 127 CA GLU A 9 77.236 -18.598 -43.555 1.00 0.00 C ATOM 128 C GLU A 9 77.155 -19.842 -42.676 1.00 0.00 C ATOM 129 O GLU A 9 77.796 -19.915 -41.627 1.00 0.00 O ATOM 130 CB GLU A 9 75.854 -18.289 -44.133 1.00 0.00 C ATOM 131 CG GLU A 9 75.959 -17.118 -45.112 1.00 0.00 C ATOM 132 CD GLU A 9 74.572 -16.724 -45.606 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.634 -17.451 -45.321 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.467 -15.701 -46.262 1.00 0.00 O ATOM 0 H GLU A 9 77.780 -18.859 -45.566 1.00 0.00 H new ATOM 0 HA GLU A 9 77.572 -17.760 -42.945 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.456 -19.167 -44.642 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.159 -18.044 -43.330 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.435 -16.267 -44.624 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.590 -17.395 -45.957 1.00 0.00 H new ATOM 141 N ASN A 10 76.362 -20.817 -43.108 1.00 0.00 N ATOM 142 CA ASN A 10 76.126 -22.010 -42.303 1.00 0.00 C ATOM 143 C ASN A 10 75.492 -21.632 -40.969 1.00 0.00 C ATOM 144 O ASN A 10 74.388 -22.073 -40.646 1.00 0.00 O ATOM 145 CB ASN A 10 77.445 -22.742 -42.054 1.00 0.00 C ATOM 146 CG ASN A 10 77.920 -23.412 -43.339 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.160 -23.522 -44.300 1.00 0.00 O ATOM 148 ND2 ASN A 10 79.140 -23.868 -43.414 1.00 0.00 N ATOM 0 H ASN A 10 75.875 -20.805 -44.004 1.00 0.00 H new ATOM 0 HA ASN A 10 75.446 -22.666 -42.846 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.199 -22.039 -41.700 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.314 -23.489 -41.271 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.465 -24.317 -44.270 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.769 -23.776 -42.616 1.00 0.00 H new ATOM 155 N TYR A 11 76.198 -20.811 -40.199 1.00 0.00 N ATOM 156 CA TYR A 11 75.646 -20.273 -38.961 1.00 0.00 C ATOM 157 C TYR A 11 75.652 -18.748 -38.996 1.00 0.00 C ATOM 158 O TYR A 11 76.704 -18.116 -38.886 1.00 0.00 O ATOM 159 CB TYR A 11 76.467 -20.763 -37.766 1.00 0.00 C ATOM 160 CG TYR A 11 77.922 -20.415 -37.975 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.399 -19.154 -37.600 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.791 -21.355 -38.541 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.748 -18.832 -37.792 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.140 -21.032 -38.733 1.00 0.00 C ATOM 165 CZ TYR A 11 80.618 -19.770 -38.359 1.00 0.00 C ATOM 166 OH TYR A 11 81.948 -19.453 -38.548 1.00 0.00 O ATOM 0 H TYR A 11 77.148 -20.505 -40.408 1.00 0.00 H new ATOM 0 HA TYR A 11 74.618 -20.621 -38.859 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.101 -20.304 -36.848 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.353 -21.841 -37.651 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.727 -18.430 -37.163 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.422 -22.328 -38.829 1.00 0.00 H new ATOM 0 HE1 TYR A 11 80.117 -17.859 -37.502 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.812 -21.756 -39.170 1.00 0.00 H new ATOM 0 HH TYR A 11 82.316 -20.003 -39.270 1.00 0.00 H new ATOM 176 N PRO A 12 74.501 -18.156 -39.152 1.00 0.00 N ATOM 177 CA PRO A 12 74.357 -16.679 -39.266 1.00 0.00 C ATOM 178 C PRO A 12 75.139 -15.934 -38.189 1.00 0.00 C ATOM 179 O PRO A 12 75.848 -16.542 -37.387 1.00 0.00 O ATOM 180 CB PRO A 12 72.818 -16.429 -39.135 1.00 0.00 C ATOM 181 CG PRO A 12 72.209 -17.718 -39.587 1.00 0.00 C ATOM 182 CD PRO A 12 73.199 -18.835 -39.234 1.00 0.00 C ATOM 0 HA PRO A 12 74.763 -16.306 -40.206 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.537 -16.192 -38.109 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.494 -15.594 -39.756 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.250 -17.884 -39.096 1.00 0.00 H new ATOM 0 HG3 PRO A 12 72.018 -17.698 -40.660 1.00 0.00 H new ATOM 0 HD2 PRO A 12 72.939 -19.312 -38.289 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.205 -19.616 -39.994 1.00 0.00 H new ATOM 190 N VAL A 13 75.004 -14.612 -38.178 1.00 0.00 N ATOM 191 CA VAL A 13 75.731 -13.785 -37.222 1.00 0.00 C ATOM 192 C VAL A 13 75.614 -14.364 -35.816 1.00 0.00 C ATOM 193 O VAL A 13 76.316 -13.939 -34.899 1.00 0.00 O ATOM 194 CB VAL A 13 75.175 -12.360 -37.238 1.00 0.00 C ATOM 195 CG1 VAL A 13 73.657 -12.407 -37.415 1.00 0.00 C ATOM 196 CG2 VAL A 13 75.512 -11.667 -35.915 1.00 0.00 C ATOM 0 H VAL A 13 74.401 -14.093 -38.816 1.00 0.00 H new ATOM 0 HA VAL A 13 76.783 -13.768 -37.509 1.00 0.00 H new ATOM 0 HB VAL A 13 75.620 -11.805 -38.064 1.00 0.00 H new ATOM 0 HG11 VAL A 13 73.260 -11.392 -37.426 1.00 0.00 H new ATOM 0 HG12 VAL A 13 73.416 -12.902 -38.356 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.211 -12.961 -36.589 1.00 0.00 H new ATOM 0 HG21 VAL A 13 75.116 -10.651 -35.925 1.00 0.00 H new ATOM 0 HG22 VAL A 13 75.066 -12.222 -35.090 1.00 0.00 H new ATOM 0 HG23 VAL A 13 76.594 -11.634 -35.787 1.00 0.00 H new ATOM 206 N SER A 14 74.722 -15.337 -35.655 1.00 0.00 N ATOM 207 CA SER A 14 74.498 -15.944 -34.349 1.00 0.00 C ATOM 208 C SER A 14 75.823 -16.177 -33.630 1.00 0.00 C ATOM 209 O SER A 14 75.978 -15.820 -32.463 1.00 0.00 O ATOM 210 CB SER A 14 73.763 -17.276 -34.512 1.00 0.00 C ATOM 211 OG SER A 14 72.578 -17.067 -35.269 1.00 0.00 O ATOM 0 H SER A 14 74.147 -15.719 -36.406 1.00 0.00 H new ATOM 0 HA SER A 14 73.890 -15.263 -33.753 1.00 0.00 H new ATOM 0 HB2 SER A 14 74.405 -18.001 -35.013 1.00 0.00 H new ATOM 0 HB3 SER A 14 73.516 -17.691 -33.535 1.00 0.00 H new ATOM 0 HG SER A 14 72.105 -17.918 -35.377 1.00 0.00 H new ATOM 217 N LYS A 15 76.775 -16.777 -34.337 1.00 0.00 N ATOM 218 CA LYS A 15 78.083 -17.056 -33.755 1.00 0.00 C ATOM 219 C LYS A 15 78.971 -15.817 -33.820 1.00 0.00 C ATOM 220 O LYS A 15 79.701 -15.514 -32.876 1.00 0.00 O ATOM 221 CB LYS A 15 78.755 -18.207 -34.505 1.00 0.00 C ATOM 222 CG LYS A 15 77.778 -19.380 -34.624 1.00 0.00 C ATOM 223 CD LYS A 15 77.478 -19.936 -33.231 1.00 0.00 C ATOM 224 CE LYS A 15 76.909 -21.351 -33.358 1.00 0.00 C ATOM 225 NZ LYS A 15 76.563 -21.870 -32.005 1.00 0.00 N ATOM 0 H LYS A 15 76.667 -17.077 -35.306 1.00 0.00 H new ATOM 0 HA LYS A 15 77.943 -17.337 -32.711 1.00 0.00 H new ATOM 0 HB2 LYS A 15 79.065 -17.877 -35.496 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.655 -18.522 -33.977 1.00 0.00 H new ATOM 0 HG2 LYS A 15 76.855 -19.052 -35.103 1.00 0.00 H new ATOM 0 HG3 LYS A 15 78.204 -20.160 -35.255 1.00 0.00 H new ATOM 0 HD2 LYS A 15 78.387 -19.951 -32.630 1.00 0.00 H new ATOM 0 HD3 LYS A 15 76.766 -19.291 -32.716 1.00 0.00 H new ATOM 0 HE2 LYS A 15 76.023 -21.343 -33.994 1.00 0.00 H new ATOM 0 HE3 LYS A 15 77.638 -22.006 -33.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 76.176 -22.832 -32.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 77.418 -21.892 -31.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 75.853 -21.249 -31.566 1.00 0.00 H new ATOM 239 N CYS A 16 78.901 -15.106 -34.941 1.00 0.00 N ATOM 240 CA CYS A 16 79.741 -13.929 -35.140 1.00 0.00 C ATOM 241 C CYS A 16 79.615 -12.974 -33.959 1.00 0.00 C ATOM 242 O CYS A 16 80.303 -11.956 -33.895 1.00 0.00 O ATOM 243 CB CYS A 16 79.335 -13.210 -36.427 1.00 0.00 C ATOM 244 SG CYS A 16 80.397 -11.766 -36.672 1.00 0.00 S ATOM 0 H CYS A 16 78.278 -15.321 -35.719 1.00 0.00 H new ATOM 0 HA CYS A 16 80.778 -14.255 -35.218 1.00 0.00 H new ATOM 0 HB2 CYS A 16 79.422 -13.887 -37.277 1.00 0.00 H new ATOM 0 HB3 CYS A 16 78.291 -12.902 -36.370 1.00 0.00 H new ATOM 249 N GLN A 17 78.729 -13.308 -33.025 1.00 0.00 N ATOM 250 CA GLN A 17 78.532 -12.477 -31.842 1.00 0.00 C ATOM 251 C GLN A 17 79.849 -12.293 -31.094 1.00 0.00 C ATOM 252 O GLN A 17 80.037 -11.307 -30.382 1.00 0.00 O ATOM 253 CB GLN A 17 77.503 -13.125 -30.914 1.00 0.00 C ATOM 254 CG GLN A 17 76.135 -13.137 -31.599 1.00 0.00 C ATOM 255 CD GLN A 17 75.575 -11.720 -31.670 1.00 0.00 C ATOM 256 OE1 GLN A 17 75.851 -10.898 -30.797 1.00 0.00 O ATOM 257 NE2 GLN A 17 74.801 -11.384 -32.665 1.00 0.00 N ATOM 0 H GLN A 17 78.141 -14.141 -33.063 1.00 0.00 H new ATOM 0 HA GLN A 17 78.168 -11.501 -32.162 1.00 0.00 H new ATOM 0 HB2 GLN A 17 77.808 -14.142 -30.669 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.447 -12.574 -29.975 1.00 0.00 H new ATOM 0 HG2 GLN A 17 76.225 -13.552 -32.603 1.00 0.00 H new ATOM 0 HG3 GLN A 17 75.449 -13.781 -31.049 1.00 0.00 H new ATOM 0 HE21 GLN A 17 74.574 -12.067 -33.388 1.00 0.00 H new ATOM 0 HE22 GLN A 17 74.423 -10.438 -32.720 1.00 0.00 H new ATOM 266 N LEU A 18 80.757 -13.249 -31.263 1.00 0.00 N ATOM 267 CA LEU A 18 82.069 -13.163 -30.632 1.00 0.00 C ATOM 268 C LEU A 18 83.174 -13.275 -31.678 1.00 0.00 C ATOM 269 O LEU A 18 83.323 -14.311 -32.327 1.00 0.00 O ATOM 270 CB LEU A 18 82.228 -14.281 -29.600 1.00 0.00 C ATOM 271 CG LEU A 18 81.102 -14.190 -28.569 1.00 0.00 C ATOM 272 CD1 LEU A 18 80.793 -15.585 -28.024 1.00 0.00 C ATOM 273 CD2 LEU A 18 81.538 -13.279 -27.420 1.00 0.00 C ATOM 0 H LEU A 18 80.610 -14.086 -31.827 1.00 0.00 H new ATOM 0 HA LEU A 18 82.149 -12.196 -30.135 1.00 0.00 H new ATOM 0 HB2 LEU A 18 82.205 -15.252 -30.094 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.196 -14.198 -29.105 1.00 0.00 H new ATOM 0 HG LEU A 18 80.209 -13.780 -29.041 1.00 0.00 H new ATOM 0 HD11 LEU A 18 79.990 -15.519 -27.289 1.00 0.00 H new ATOM 0 HD12 LEU A 18 80.483 -16.235 -28.842 1.00 0.00 H new ATOM 0 HD13 LEU A 18 81.685 -15.997 -27.551 1.00 0.00 H new ATOM 0 HD21 LEU A 18 80.737 -13.213 -26.684 1.00 0.00 H new ATOM 0 HD22 LEU A 18 82.431 -13.690 -26.949 1.00 0.00 H new ATOM 0 HD23 LEU A 18 81.758 -12.284 -27.808 1.00 0.00 H new ATOM 285 N ALA A 19 83.945 -12.206 -31.836 1.00 0.00 N ATOM 286 CA ALA A 19 85.013 -12.187 -32.828 1.00 0.00 C ATOM 287 C ALA A 19 85.916 -13.405 -32.663 1.00 0.00 C ATOM 288 O ALA A 19 86.721 -13.717 -33.541 1.00 0.00 O ATOM 289 CB ALA A 19 85.842 -10.910 -32.682 1.00 0.00 C ATOM 0 H ALA A 19 83.852 -11.347 -31.294 1.00 0.00 H new ATOM 0 HA ALA A 19 84.562 -12.213 -33.820 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.637 -10.905 -33.427 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.201 -10.041 -32.830 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.280 -10.872 -31.684 1.00 0.00 H new ATOM 295 N ASN A 20 85.776 -14.090 -31.533 1.00 0.00 N ATOM 296 CA ASN A 20 86.594 -15.266 -31.258 1.00 0.00 C ATOM 297 C ASN A 20 85.944 -16.519 -31.836 1.00 0.00 C ATOM 298 O ASN A 20 86.596 -17.551 -31.995 1.00 0.00 O ATOM 299 CB ASN A 20 86.775 -15.434 -29.748 1.00 0.00 C ATOM 300 CG ASN A 20 87.222 -14.115 -29.126 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.054 -13.410 -29.695 1.00 0.00 O ATOM 302 ND2 ASN A 20 86.713 -13.738 -27.984 1.00 0.00 N ATOM 0 H ASN A 20 85.109 -13.854 -30.798 1.00 0.00 H new ATOM 0 HA ASN A 20 87.567 -15.126 -31.728 1.00 0.00 H new ATOM 0 HB2 ASN A 20 85.839 -15.760 -29.295 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.514 -16.210 -29.546 1.00 0.00 H new ATOM 0 HD21 ASN A 20 87.005 -12.857 -27.562 1.00 0.00 H new ATOM 0 HD22 ASN A 20 86.023 -14.325 -27.515 1.00 0.00 H new ATOM 309 N GLN A 21 84.657 -16.421 -32.150 1.00 0.00 N ATOM 310 CA GLN A 21 83.921 -17.564 -32.678 1.00 0.00 C ATOM 311 C GLN A 21 84.245 -17.774 -34.154 1.00 0.00 C ATOM 312 O GLN A 21 84.570 -18.884 -34.576 1.00 0.00 O ATOM 313 CB GLN A 21 82.417 -17.342 -32.510 1.00 0.00 C ATOM 314 CG GLN A 21 81.746 -18.659 -32.119 1.00 0.00 C ATOM 315 CD GLN A 21 82.030 -19.723 -33.173 1.00 0.00 C ATOM 316 OE1 GLN A 21 82.136 -19.410 -34.359 1.00 0.00 O ATOM 317 NE2 GLN A 21 82.161 -20.970 -32.811 1.00 0.00 N ATOM 0 H GLN A 21 84.105 -15.569 -32.049 1.00 0.00 H new ATOM 0 HA GLN A 21 84.220 -18.452 -32.122 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.234 -16.587 -31.745 1.00 0.00 H new ATOM 0 HB3 GLN A 21 81.989 -16.965 -33.439 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.115 -18.990 -31.148 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.671 -18.513 -32.019 1.00 0.00 H new ATOM 0 HE21 GLN A 21 82.073 -21.228 -31.828 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.352 -21.687 -33.511 1.00 0.00 H new ATOM 326 N CYS A 22 84.153 -16.702 -34.933 1.00 0.00 N ATOM 327 CA CYS A 22 84.414 -16.785 -36.365 1.00 0.00 C ATOM 328 C CYS A 22 85.725 -17.519 -36.629 1.00 0.00 C ATOM 329 O CYS A 22 85.740 -18.580 -37.253 1.00 0.00 O ATOM 330 CB CYS A 22 84.482 -15.381 -36.969 1.00 0.00 C ATOM 331 SG CYS A 22 82.814 -14.685 -37.069 1.00 0.00 S ATOM 0 H CYS A 22 83.901 -15.771 -34.600 1.00 0.00 H new ATOM 0 HA CYS A 22 83.599 -17.340 -36.831 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.118 -14.741 -36.358 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.931 -15.422 -37.962 1.00 0.00 H new ATOM 336 N ASN A 23 86.824 -16.946 -36.149 1.00 0.00 N ATOM 337 CA ASN A 23 88.137 -17.550 -36.346 1.00 0.00 C ATOM 338 C ASN A 23 88.091 -19.045 -36.046 1.00 0.00 C ATOM 339 O ASN A 23 88.546 -19.862 -36.846 1.00 0.00 O ATOM 340 CB ASN A 23 89.163 -16.876 -35.434 1.00 0.00 C ATOM 341 CG ASN A 23 88.775 -15.421 -35.195 1.00 0.00 C ATOM 342 OD1 ASN A 23 88.005 -14.850 -35.967 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.263 -14.785 -34.166 1.00 0.00 N ATOM 0 H ASN A 23 86.832 -16.071 -35.625 1.00 0.00 H new ATOM 0 HA ASN A 23 88.428 -17.410 -37.387 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.220 -17.406 -34.483 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.153 -16.927 -35.887 1.00 0.00 H new ATOM 0 HD21 ASN A 23 89.007 -13.812 -33.999 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.901 -15.261 -33.528 1.00 0.00 H new ATOM 350 N TYR A 24 87.539 -19.393 -34.888 1.00 0.00 N ATOM 351 CA TYR A 24 87.428 -20.795 -34.498 1.00 0.00 C ATOM 352 C TYR A 24 86.739 -21.604 -35.593 1.00 0.00 C ATOM 353 O TYR A 24 87.320 -22.538 -36.145 1.00 0.00 O ATOM 354 CB TYR A 24 86.631 -20.911 -33.197 1.00 0.00 C ATOM 355 CG TYR A 24 87.579 -20.889 -32.023 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.416 -19.785 -31.820 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.623 -21.971 -31.136 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.296 -19.763 -30.731 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.502 -21.951 -30.047 1.00 0.00 C ATOM 360 CZ TYR A 24 89.339 -20.846 -29.845 1.00 0.00 C ATOM 361 OH TYR A 24 90.207 -20.825 -28.772 1.00 0.00 O ATOM 0 H TYR A 24 87.165 -18.731 -34.209 1.00 0.00 H new ATOM 0 HA TYR A 24 88.432 -21.192 -34.347 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.920 -20.089 -33.119 1.00 0.00 H new ATOM 0 HB3 TYR A 24 86.052 -21.835 -33.194 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.383 -18.950 -32.504 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.978 -22.823 -31.292 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.941 -18.911 -30.575 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.535 -22.786 -29.363 1.00 0.00 H new ATOM 0 HH TYR A 24 90.110 -21.653 -28.256 1.00 0.00 H new ATOM 371 N ASP A 25 85.499 -21.239 -35.902 1.00 0.00 N ATOM 372 CA ASP A 25 84.743 -21.936 -36.937 1.00 0.00 C ATOM 373 C ASP A 25 85.422 -21.783 -38.294 1.00 0.00 C ATOM 374 O ASP A 25 85.527 -22.743 -39.058 1.00 0.00 O ATOM 375 CB ASP A 25 83.321 -21.378 -37.010 1.00 0.00 C ATOM 376 CG ASP A 25 82.523 -21.818 -35.788 1.00 0.00 C ATOM 377 OD1 ASP A 25 83.025 -22.644 -35.044 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.422 -21.322 -35.613 1.00 0.00 O ATOM 0 H ASP A 25 84.999 -20.471 -35.455 1.00 0.00 H new ATOM 0 HA ASP A 25 84.705 -22.995 -36.681 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.351 -20.290 -37.062 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.831 -21.727 -37.919 1.00 0.00 H new ATOM 383 N CYS A 26 85.880 -20.571 -38.588 1.00 0.00 N ATOM 384 CA CYS A 26 86.547 -20.304 -39.857 1.00 0.00 C ATOM 385 C CYS A 26 87.803 -21.159 -39.994 1.00 0.00 C ATOM 386 O CYS A 26 88.156 -21.589 -41.092 1.00 0.00 O ATOM 387 CB CYS A 26 86.923 -18.824 -39.948 1.00 0.00 C ATOM 388 SG CYS A 26 86.199 -18.110 -41.445 1.00 0.00 S ATOM 0 H CYS A 26 85.803 -19.763 -37.970 1.00 0.00 H new ATOM 0 HA CYS A 26 85.861 -20.555 -40.666 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.564 -18.291 -39.067 1.00 0.00 H new ATOM 0 HB3 CYS A 26 88.007 -18.713 -39.967 1.00 0.00 H new ATOM 393 N LYS A 27 88.474 -21.401 -38.872 1.00 0.00 N ATOM 394 CA LYS A 27 89.691 -22.205 -38.881 1.00 0.00 C ATOM 395 C LYS A 27 89.351 -23.692 -38.915 1.00 0.00 C ATOM 396 O LYS A 27 90.031 -24.480 -39.570 1.00 0.00 O ATOM 397 CB LYS A 27 90.528 -21.899 -37.638 1.00 0.00 C ATOM 398 CG LYS A 27 91.129 -20.498 -37.759 1.00 0.00 C ATOM 399 CD LYS A 27 91.469 -19.964 -36.365 1.00 0.00 C ATOM 400 CE LYS A 27 92.197 -18.626 -36.494 1.00 0.00 C ATOM 401 NZ LYS A 27 92.192 -17.929 -35.177 1.00 0.00 N ATOM 0 H LYS A 27 88.199 -21.055 -37.953 1.00 0.00 H new ATOM 0 HA LYS A 27 90.263 -21.955 -39.774 1.00 0.00 H new ATOM 0 HB2 LYS A 27 89.908 -21.964 -36.744 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.322 -22.638 -37.530 1.00 0.00 H new ATOM 0 HG2 LYS A 27 92.026 -20.528 -38.377 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.424 -19.830 -38.254 1.00 0.00 H new ATOM 0 HD2 LYS A 27 90.558 -19.839 -35.780 1.00 0.00 H new ATOM 0 HD3 LYS A 27 92.094 -20.680 -35.832 1.00 0.00 H new ATOM 0 HE2 LYS A 27 93.222 -18.788 -36.828 1.00 0.00 H new ATOM 0 HE3 LYS A 27 91.711 -18.006 -37.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 92.164 -16.901 -35.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 91.356 -18.222 -34.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 93.053 -18.178 -34.649 1.00 0.00 H new ATOM 415 N LEU A 28 88.291 -24.067 -38.205 1.00 0.00 N ATOM 416 CA LEU A 28 87.883 -25.465 -38.141 1.00 0.00 C ATOM 417 C LEU A 28 87.048 -25.836 -39.363 1.00 0.00 C ATOM 418 O LEU A 28 86.969 -27.004 -39.741 1.00 0.00 O ATOM 419 CB LEU A 28 87.072 -25.715 -36.868 1.00 0.00 C ATOM 420 CG LEU A 28 87.908 -25.331 -35.647 1.00 0.00 C ATOM 421 CD1 LEU A 28 86.981 -25.008 -34.473 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.820 -26.500 -35.268 1.00 0.00 C ATOM 0 H LEU A 28 87.704 -23.427 -37.670 1.00 0.00 H new ATOM 0 HA LEU A 28 88.779 -26.086 -38.127 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.152 -25.131 -36.890 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.783 -26.764 -36.809 1.00 0.00 H new ATOM 0 HG LEU A 28 88.514 -24.456 -35.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.578 -24.734 -33.603 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.329 -24.177 -34.742 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.375 -25.883 -34.237 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.417 -26.228 -34.398 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.213 -27.374 -35.033 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.481 -26.732 -36.103 1.00 0.00 H new ATOM 434 N ASP A 29 86.427 -24.833 -39.974 1.00 0.00 N ATOM 435 CA ASP A 29 85.545 -25.073 -41.111 1.00 0.00 C ATOM 436 C ASP A 29 86.327 -24.998 -42.419 1.00 0.00 C ATOM 437 O ASP A 29 86.409 -25.977 -43.161 1.00 0.00 O ATOM 438 CB ASP A 29 84.420 -24.037 -41.128 1.00 0.00 C ATOM 439 CG ASP A 29 83.551 -24.190 -39.885 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.777 -25.130 -39.141 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.671 -23.366 -39.695 1.00 0.00 O ATOM 0 H ASP A 29 86.516 -23.853 -39.704 1.00 0.00 H new ATOM 0 HA ASP A 29 85.118 -26.071 -41.011 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.841 -23.032 -41.166 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.812 -24.163 -42.024 1.00 0.00 H new ATOM 446 N LYS A 30 86.901 -23.832 -42.694 1.00 0.00 N ATOM 447 CA LYS A 30 87.603 -23.614 -43.953 1.00 0.00 C ATOM 448 C LYS A 30 89.097 -23.430 -43.708 1.00 0.00 C ATOM 449 O LYS A 30 89.875 -23.272 -44.648 1.00 0.00 O ATOM 450 CB LYS A 30 87.042 -22.376 -44.657 1.00 0.00 C ATOM 451 CG LYS A 30 85.520 -22.343 -44.496 1.00 0.00 C ATOM 452 CD LYS A 30 84.905 -23.555 -45.197 1.00 0.00 C ATOM 453 CE LYS A 30 83.381 -23.409 -45.227 1.00 0.00 C ATOM 454 NZ LYS A 30 82.792 -24.521 -46.026 1.00 0.00 N ATOM 0 H LYS A 30 86.894 -23.028 -42.066 1.00 0.00 H new ATOM 0 HA LYS A 30 87.455 -24.489 -44.586 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.483 -21.473 -44.234 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.306 -22.395 -45.714 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.256 -22.349 -43.439 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.119 -21.422 -44.920 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.293 -23.637 -46.212 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.183 -24.470 -44.675 1.00 0.00 H new ATOM 0 HE2 LYS A 30 82.983 -23.425 -44.212 1.00 0.00 H new ATOM 0 HE3 LYS A 30 83.105 -22.448 -45.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 81.757 -24.423 -46.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.163 -24.485 -46.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.045 -25.432 -45.592 1.00 0.00 H new ATOM 468 N HIS A 31 89.490 -23.452 -42.438 1.00 0.00 N ATOM 469 CA HIS A 31 90.895 -23.298 -42.080 1.00 0.00 C ATOM 470 C HIS A 31 91.389 -21.898 -42.433 1.00 0.00 C ATOM 471 O HIS A 31 92.306 -21.738 -43.238 1.00 0.00 O ATOM 472 CB HIS A 31 91.741 -24.338 -42.817 1.00 0.00 C ATOM 473 CG HIS A 31 91.023 -25.660 -42.817 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.181 -26.587 -41.799 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.140 -26.223 -43.704 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.411 -27.650 -42.096 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.754 -27.480 -43.246 1.00 0.00 N ATOM 0 H HIS A 31 88.860 -23.574 -41.645 1.00 0.00 H new ATOM 0 HA HIS A 31 90.992 -23.446 -41.005 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.926 -24.013 -43.841 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.713 -24.440 -42.334 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.797 -25.761 -44.618 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.334 -28.533 -41.479 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.108 -28.131 -43.693 1.00 0.00 H new ATOM 485 N ALA A 32 90.777 -20.888 -41.824 1.00 0.00 N ATOM 486 CA ALA A 32 91.166 -19.506 -42.080 1.00 0.00 C ATOM 487 C ALA A 32 92.283 -19.081 -41.132 1.00 0.00 C ATOM 488 O ALA A 32 92.909 -19.916 -40.480 1.00 0.00 O ATOM 489 CB ALA A 32 89.962 -18.581 -41.899 1.00 0.00 C ATOM 0 H ALA A 32 90.015 -20.999 -41.155 1.00 0.00 H new ATOM 0 HA ALA A 32 91.527 -19.434 -43.106 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.262 -17.551 -42.092 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.175 -18.867 -42.597 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.589 -18.665 -40.878 1.00 0.00 H new ATOM 495 N ARG A 33 92.527 -17.776 -41.061 1.00 0.00 N ATOM 496 CA ARG A 33 93.579 -17.251 -40.199 1.00 0.00 C ATOM 497 C ARG A 33 92.985 -16.363 -39.110 1.00 0.00 C ATOM 498 O ARG A 33 93.322 -16.498 -37.934 1.00 0.00 O ATOM 499 CB ARG A 33 94.580 -16.446 -41.029 1.00 0.00 C ATOM 500 CG ARG A 33 95.296 -17.376 -42.009 1.00 0.00 C ATOM 501 CD ARG A 33 96.279 -16.567 -42.855 1.00 0.00 C ATOM 502 NE ARG A 33 97.346 -16.032 -42.017 1.00 0.00 N ATOM 503 CZ ARG A 33 98.354 -16.799 -41.615 1.00 0.00 C ATOM 504 NH1 ARG A 33 98.399 -18.054 -41.967 1.00 0.00 N ATOM 505 NH2 ARG A 33 99.297 -16.296 -40.866 1.00 0.00 N ATOM 0 H ARG A 33 92.014 -17.068 -41.586 1.00 0.00 H new ATOM 0 HA ARG A 33 94.091 -18.090 -39.728 1.00 0.00 H new ATOM 0 HB2 ARG A 33 94.064 -15.655 -41.573 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.305 -15.962 -40.375 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.826 -18.157 -41.464 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.570 -17.873 -42.652 1.00 0.00 H new ATOM 0 HD2 ARG A 33 96.703 -17.198 -43.636 1.00 0.00 H new ATOM 0 HD3 ARG A 33 95.755 -15.751 -43.353 1.00 0.00 H new ATOM 0 HE ARG A 33 97.318 -15.052 -41.735 1.00 0.00 H new ATOM 0 HH11 ARG A 33 97.661 -18.447 -42.551 1.00 0.00 H new ATOM 0 HH12 ARG A 33 99.173 -18.643 -41.659 1.00 0.00 H new ATOM 0 HH21 ARG A 33 99.260 -15.315 -40.590 1.00 0.00 H new ATOM 0 HH22 ARG A 33 100.071 -16.884 -40.557 1.00 0.00 H new ATOM 519 N SER A 34 92.102 -15.454 -39.511 1.00 0.00 N ATOM 520 CA SER A 34 91.508 -14.515 -38.567 1.00 0.00 C ATOM 521 C SER A 34 89.985 -14.608 -38.603 1.00 0.00 C ATOM 522 O SER A 34 89.300 -14.049 -37.746 1.00 0.00 O ATOM 523 CB SER A 34 91.942 -13.089 -38.907 1.00 0.00 C ATOM 524 OG SER A 34 91.177 -12.616 -40.009 1.00 0.00 O ATOM 0 H SER A 34 91.784 -15.348 -40.474 1.00 0.00 H new ATOM 0 HA SER A 34 91.852 -14.770 -37.565 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.800 -12.438 -38.045 1.00 0.00 H new ATOM 0 HB3 SER A 34 93.004 -13.068 -39.151 1.00 0.00 H new ATOM 0 HG SER A 34 91.451 -11.701 -40.229 1.00 0.00 H new ATOM 530 N GLY A 35 89.464 -15.315 -39.600 1.00 0.00 N ATOM 531 CA GLY A 35 88.020 -15.459 -39.746 1.00 0.00 C ATOM 532 C GLY A 35 87.303 -14.176 -39.341 1.00 0.00 C ATOM 533 O GLY A 35 86.574 -14.148 -38.350 1.00 0.00 O ATOM 0 H GLY A 35 90.014 -15.793 -40.313 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.778 -15.705 -40.780 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.669 -16.287 -39.130 1.00 0.00 H new ATOM 537 N GLU A 36 87.515 -13.116 -40.114 1.00 0.00 N ATOM 538 CA GLU A 36 86.917 -11.823 -39.800 1.00 0.00 C ATOM 539 C GLU A 36 85.485 -11.754 -40.322 1.00 0.00 C ATOM 540 O GLU A 36 85.162 -12.338 -41.356 1.00 0.00 O ATOM 541 CB GLU A 36 87.745 -10.699 -40.426 1.00 0.00 C ATOM 542 CG GLU A 36 88.880 -10.310 -39.476 1.00 0.00 C ATOM 543 CD GLU A 36 88.315 -9.590 -38.255 1.00 0.00 C ATOM 544 OE1 GLU A 36 87.173 -9.167 -38.317 1.00 0.00 O ATOM 545 OE2 GLU A 36 89.035 -9.472 -37.277 1.00 0.00 O ATOM 0 H GLU A 36 88.091 -13.126 -40.956 1.00 0.00 H new ATOM 0 HA GLU A 36 86.903 -11.704 -38.717 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.153 -11.024 -41.383 1.00 0.00 H new ATOM 0 HB3 GLU A 36 87.112 -9.835 -40.626 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.425 -11.201 -39.163 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.592 -9.665 -39.991 1.00 0.00 H new ATOM 552 N CYS A 37 84.633 -11.036 -39.597 1.00 0.00 N ATOM 553 CA CYS A 37 83.237 -10.895 -39.997 1.00 0.00 C ATOM 554 C CYS A 37 83.053 -9.664 -40.876 1.00 0.00 C ATOM 555 O CYS A 37 83.836 -8.716 -40.807 1.00 0.00 O ATOM 556 CB CYS A 37 82.291 -10.708 -38.779 1.00 0.00 C ATOM 557 SG CYS A 37 81.584 -12.278 -38.225 1.00 0.00 S ATOM 0 H CYS A 37 84.881 -10.547 -38.737 1.00 0.00 H new ATOM 0 HA CYS A 37 82.986 -11.813 -40.528 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.842 -10.249 -37.959 1.00 0.00 H new ATOM 0 HB3 CYS A 37 81.487 -10.022 -39.046 1.00 0.00 H new ATOM 562 N PHE A 38 82.013 -9.684 -41.705 1.00 0.00 N ATOM 563 CA PHE A 38 81.714 -8.547 -42.568 1.00 0.00 C ATOM 564 C PHE A 38 80.208 -8.414 -42.773 1.00 0.00 C ATOM 565 O PHE A 38 79.442 -9.310 -42.421 1.00 0.00 O ATOM 566 CB PHE A 38 82.402 -8.725 -43.923 1.00 0.00 C ATOM 567 CG PHE A 38 83.899 -8.661 -43.741 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.597 -9.783 -43.279 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.589 -7.478 -44.033 1.00 0.00 C ATOM 570 CE1 PHE A 38 85.985 -9.723 -43.109 1.00 0.00 C ATOM 571 CE2 PHE A 38 85.978 -7.419 -43.864 1.00 0.00 C ATOM 572 CZ PHE A 38 86.676 -8.541 -43.402 1.00 0.00 C ATOM 0 H PHE A 38 81.368 -10.469 -41.797 1.00 0.00 H new ATOM 0 HA PHE A 38 82.086 -7.642 -42.089 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.119 -9.681 -44.363 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.076 -7.947 -44.613 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.064 -10.695 -43.054 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.050 -6.612 -44.388 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.523 -10.589 -42.752 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.511 -6.507 -44.090 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.747 -8.495 -43.272 1.00 0.00 H new ATOM 582 N TYR A 39 79.792 -7.288 -43.346 1.00 0.00 N ATOM 583 CA TYR A 39 78.375 -7.047 -43.591 1.00 0.00 C ATOM 584 C TYR A 39 78.008 -7.416 -45.025 1.00 0.00 C ATOM 585 O TYR A 39 78.656 -6.975 -45.973 1.00 0.00 O ATOM 586 CB TYR A 39 78.044 -5.574 -43.339 1.00 0.00 C ATOM 587 CG TYR A 39 77.978 -5.320 -41.853 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.767 -5.481 -41.168 1.00 0.00 C ATOM 589 CD2 TYR A 39 79.127 -4.924 -41.158 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.705 -5.247 -39.789 1.00 0.00 C ATOM 591 CE2 TYR A 39 79.065 -4.689 -39.778 1.00 0.00 C ATOM 592 CZ TYR A 39 77.854 -4.851 -39.095 1.00 0.00 C ATOM 593 OH TYR A 39 77.793 -4.620 -37.735 1.00 0.00 O ATOM 0 H TYR A 39 80.410 -6.535 -43.647 1.00 0.00 H new ATOM 0 HA TYR A 39 77.797 -7.670 -42.909 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.802 -4.937 -43.794 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.092 -5.319 -43.805 1.00 0.00 H new ATOM 0 HD1 TYR A 39 75.880 -5.786 -41.704 1.00 0.00 H new ATOM 0 HD2 TYR A 39 80.061 -4.800 -41.686 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.771 -5.372 -39.261 1.00 0.00 H new ATOM 0 HE2 TYR A 39 79.951 -4.383 -39.242 1.00 0.00 H new ATOM 0 HH TYR A 39 78.678 -4.354 -37.408 1.00 0.00 H new ATOM 603 N ASP A 40 76.966 -8.226 -45.173 1.00 0.00 N ATOM 604 CA ASP A 40 76.516 -8.641 -46.497 1.00 0.00 C ATOM 605 C ASP A 40 75.251 -7.886 -46.895 1.00 0.00 C ATOM 606 O ASP A 40 74.947 -6.830 -46.340 1.00 0.00 O ATOM 607 CB ASP A 40 76.239 -10.145 -46.507 1.00 0.00 C ATOM 608 CG ASP A 40 77.545 -10.917 -46.363 1.00 0.00 C ATOM 609 OD1 ASP A 40 78.564 -10.283 -46.143 1.00 0.00 O ATOM 610 OD2 ASP A 40 77.508 -12.132 -46.475 1.00 0.00 O ATOM 0 H ASP A 40 76.420 -8.606 -44.400 1.00 0.00 H new ATOM 0 HA ASP A 40 77.303 -8.412 -47.215 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.562 -10.404 -45.693 1.00 0.00 H new ATOM 0 HB3 ASP A 40 75.742 -10.425 -47.436 1.00 0.00 H new ATOM 615 N GLU A 41 74.519 -8.434 -47.858 1.00 0.00 N ATOM 616 CA GLU A 41 73.293 -7.800 -48.328 1.00 0.00 C ATOM 617 C GLU A 41 72.236 -7.797 -47.229 1.00 0.00 C ATOM 618 O GLU A 41 71.307 -6.990 -47.249 1.00 0.00 O ATOM 619 CB GLU A 41 72.756 -8.545 -49.552 1.00 0.00 C ATOM 620 CG GLU A 41 73.778 -8.465 -50.688 1.00 0.00 C ATOM 621 CD GLU A 41 73.929 -7.021 -51.154 1.00 0.00 C ATOM 622 OE1 GLU A 41 73.051 -6.228 -50.855 1.00 0.00 O ATOM 623 OE2 GLU A 41 74.921 -6.729 -51.801 1.00 0.00 O ATOM 0 H GLU A 41 74.751 -9.310 -48.326 1.00 0.00 H new ATOM 0 HA GLU A 41 73.521 -6.769 -48.601 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.559 -9.587 -49.299 1.00 0.00 H new ATOM 0 HB3 GLU A 41 71.809 -8.109 -49.870 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.740 -8.849 -50.350 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.459 -9.093 -51.520 1.00 0.00 H new ATOM 630 N LYS A 42 72.385 -8.706 -46.270 1.00 0.00 N ATOM 631 CA LYS A 42 71.432 -8.804 -45.170 1.00 0.00 C ATOM 632 C LYS A 42 71.962 -8.082 -43.935 1.00 0.00 C ATOM 633 O LYS A 42 71.531 -8.351 -42.814 1.00 0.00 O ATOM 634 CB LYS A 42 71.174 -10.273 -44.831 1.00 0.00 C ATOM 635 CG LYS A 42 70.643 -10.998 -46.071 1.00 0.00 C ATOM 636 CD LYS A 42 70.130 -12.382 -45.673 1.00 0.00 C ATOM 637 CE LYS A 42 71.261 -13.176 -45.014 1.00 0.00 C ATOM 638 NZ LYS A 42 72.540 -12.907 -45.731 1.00 0.00 N ATOM 0 H LYS A 42 73.150 -9.380 -46.232 1.00 0.00 H new ATOM 0 HA LYS A 42 70.499 -8.333 -45.481 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.094 -10.745 -44.487 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.454 -10.348 -44.016 1.00 0.00 H new ATOM 0 HG2 LYS A 42 69.841 -10.419 -46.528 1.00 0.00 H new ATOM 0 HG3 LYS A 42 71.433 -11.092 -46.816 1.00 0.00 H new ATOM 0 HD2 LYS A 42 69.290 -12.286 -44.985 1.00 0.00 H new ATOM 0 HD3 LYS A 42 69.763 -12.912 -46.552 1.00 0.00 H new ATOM 0 HE2 LYS A 42 71.354 -12.895 -43.965 1.00 0.00 H new ATOM 0 HE3 LYS A 42 71.034 -14.242 -45.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 73.189 -13.708 -45.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 72.350 -12.783 -46.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 72.975 -12.041 -45.352 1.00 0.00 H new ATOM 652 N ARG A 43 72.899 -7.164 -44.149 1.00 0.00 N ATOM 653 CA ARG A 43 73.493 -6.421 -43.044 1.00 0.00 C ATOM 654 C ARG A 43 73.833 -7.358 -41.889 1.00 0.00 C ATOM 655 O ARG A 43 74.020 -6.918 -40.755 1.00 0.00 O ATOM 656 CB ARG A 43 72.523 -5.341 -42.560 1.00 0.00 C ATOM 657 CG ARG A 43 72.785 -4.041 -43.321 1.00 0.00 C ATOM 658 CD ARG A 43 73.887 -3.248 -42.616 1.00 0.00 C ATOM 659 NE ARG A 43 74.420 -2.223 -43.506 1.00 0.00 N ATOM 660 CZ ARG A 43 75.365 -1.383 -43.097 1.00 0.00 C ATOM 661 NH1 ARG A 43 75.831 -1.468 -41.881 1.00 0.00 N ATOM 662 NH2 ARG A 43 75.827 -0.475 -43.910 1.00 0.00 N ATOM 0 H ARG A 43 73.261 -6.918 -45.070 1.00 0.00 H new ATOM 0 HA ARG A 43 74.411 -5.952 -43.398 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.494 -5.665 -42.716 1.00 0.00 H new ATOM 0 HB3 ARG A 43 72.647 -5.179 -41.489 1.00 0.00 H new ATOM 0 HG2 ARG A 43 73.081 -4.261 -44.347 1.00 0.00 H new ATOM 0 HG3 ARG A 43 71.872 -3.448 -43.373 1.00 0.00 H new ATOM 0 HD2 ARG A 43 73.490 -2.785 -41.713 1.00 0.00 H new ATOM 0 HD3 ARG A 43 74.686 -3.921 -42.305 1.00 0.00 H new ATOM 0 HE ARG A 43 74.062 -2.150 -44.458 1.00 0.00 H new ATOM 0 HH11 ARG A 43 75.470 -2.179 -41.245 1.00 0.00 H new ATOM 0 HH12 ARG A 43 76.556 -0.823 -41.567 1.00 0.00 H new ATOM 0 HH21 ARG A 43 75.463 -0.409 -44.861 1.00 0.00 H new ATOM 0 HH22 ARG A 43 76.552 0.170 -43.596 1.00 0.00 H new ATOM 676 N ASN A 44 73.909 -8.650 -42.187 1.00 0.00 N ATOM 677 CA ASN A 44 74.232 -9.641 -41.166 1.00 0.00 C ATOM 678 C ASN A 44 75.736 -9.894 -41.120 1.00 0.00 C ATOM 679 O ASN A 44 76.426 -9.774 -42.133 1.00 0.00 O ATOM 680 CB ASN A 44 73.502 -10.953 -41.461 1.00 0.00 C ATOM 681 CG ASN A 44 72.047 -10.852 -41.012 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.615 -9.802 -40.537 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.264 -11.889 -41.132 1.00 0.00 N ATOM 0 H ASN A 44 73.753 -9.034 -43.119 1.00 0.00 H new ATOM 0 HA ASN A 44 73.910 -9.255 -40.199 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.548 -11.173 -42.528 1.00 0.00 H new ATOM 0 HB3 ASN A 44 73.994 -11.777 -40.945 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.291 -11.831 -40.832 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.625 -12.758 -41.526 1.00 0.00 H new ATOM 690 N LEU A 45 76.238 -10.242 -39.940 1.00 0.00 N ATOM 691 CA LEU A 45 77.658 -10.527 -39.778 1.00 0.00 C ATOM 692 C LEU A 45 77.969 -11.962 -40.193 1.00 0.00 C ATOM 693 O LEU A 45 77.410 -12.912 -39.643 1.00 0.00 O ATOM 694 CB LEU A 45 78.072 -10.315 -38.321 1.00 0.00 C ATOM 695 CG LEU A 45 77.279 -9.148 -37.730 1.00 0.00 C ATOM 696 CD1 LEU A 45 77.703 -8.925 -36.277 1.00 0.00 C ATOM 697 CD2 LEU A 45 77.557 -7.881 -38.542 1.00 0.00 C ATOM 0 H LEU A 45 75.686 -10.333 -39.087 1.00 0.00 H new ATOM 0 HA LEU A 45 78.219 -9.846 -40.418 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.889 -11.222 -37.744 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.141 -10.109 -38.262 1.00 0.00 H new ATOM 0 HG LEU A 45 76.214 -9.378 -37.766 1.00 0.00 H new ATOM 0 HD11 LEU A 45 77.138 -8.093 -35.857 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.506 -9.827 -35.698 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.768 -8.695 -36.240 1.00 0.00 H new ATOM 0 HD21 LEU A 45 76.993 -7.049 -38.122 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.622 -7.652 -38.506 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.255 -8.039 -39.577 1.00 0.00 H new ATOM 709 N GLN A 46 78.863 -12.111 -41.164 1.00 0.00 N ATOM 710 CA GLN A 46 79.231 -13.435 -41.654 1.00 0.00 C ATOM 711 C GLN A 46 80.730 -13.666 -41.499 1.00 0.00 C ATOM 712 O GLN A 46 81.543 -12.914 -42.037 1.00 0.00 O ATOM 713 CB GLN A 46 78.841 -13.573 -43.127 1.00 0.00 C ATOM 714 CG GLN A 46 77.379 -13.161 -43.312 1.00 0.00 C ATOM 715 CD GLN A 46 76.460 -14.219 -42.710 1.00 0.00 C ATOM 716 OE1 GLN A 46 76.933 -15.235 -42.199 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.168 -14.042 -42.742 1.00 0.00 N ATOM 0 H GLN A 46 79.343 -11.338 -41.625 1.00 0.00 H new ATOM 0 HA GLN A 46 78.697 -14.181 -41.065 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.486 -12.948 -43.744 1.00 0.00 H new ATOM 0 HB3 GLN A 46 78.984 -14.602 -43.457 1.00 0.00 H new ATOM 0 HG2 GLN A 46 77.201 -12.198 -42.834 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.159 -13.037 -44.372 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.779 -13.200 -43.166 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.547 -14.746 -42.343 1.00 0.00 H new ATOM 726 N CYS A 47 81.089 -14.710 -40.759 1.00 0.00 N ATOM 727 CA CYS A 47 82.495 -15.047 -40.564 1.00 0.00 C ATOM 728 C CYS A 47 83.163 -15.355 -41.901 1.00 0.00 C ATOM 729 O CYS A 47 82.849 -16.354 -42.547 1.00 0.00 O ATOM 730 CB CYS A 47 82.663 -16.269 -39.644 1.00 0.00 C ATOM 731 SG CYS A 47 81.758 -16.073 -38.089 1.00 0.00 S ATOM 0 H CYS A 47 80.433 -15.333 -40.288 1.00 0.00 H new ATOM 0 HA CYS A 47 82.966 -14.182 -40.098 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.310 -17.162 -40.159 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.721 -16.421 -39.431 1.00 0.00 H new ATOM 736 N ILE A 48 84.085 -14.489 -42.310 1.00 0.00 N ATOM 737 CA ILE A 48 84.777 -14.669 -43.581 1.00 0.00 C ATOM 738 C ILE A 48 86.175 -15.235 -43.354 1.00 0.00 C ATOM 739 O ILE A 48 87.016 -14.602 -42.717 1.00 0.00 O ATOM 740 CB ILE A 48 84.880 -13.330 -44.313 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.477 -12.849 -44.693 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.717 -13.504 -45.581 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.582 -11.770 -45.771 1.00 0.00 C ATOM 0 H ILE A 48 84.368 -13.662 -41.784 1.00 0.00 H new ATOM 0 HA ILE A 48 84.206 -15.372 -44.188 1.00 0.00 H new ATOM 0 HB ILE A 48 85.355 -12.596 -43.662 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.881 -13.685 -45.058 1.00 0.00 H new ATOM 0 HG13 ILE A 48 82.967 -12.453 -43.815 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.790 -12.550 -46.102 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.716 -13.849 -45.313 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.242 -14.238 -46.232 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.583 -11.428 -46.042 1.00 0.00 H new ATOM 0 HD12 ILE A 48 84.163 -10.930 -45.390 1.00 0.00 H new ATOM 0 HD13 ILE A 48 84.075 -12.182 -46.651 1.00 0.00 H new ATOM 755 N CYS A 49 86.415 -16.432 -43.880 1.00 0.00 N ATOM 756 CA CYS A 49 87.724 -17.062 -43.751 1.00 0.00 C ATOM 757 C CYS A 49 88.723 -16.425 -44.711 1.00 0.00 C ATOM 758 O CYS A 49 88.535 -16.454 -45.928 1.00 0.00 O ATOM 759 CB CYS A 49 87.604 -18.549 -44.086 1.00 0.00 C ATOM 760 SG CYS A 49 86.604 -19.464 -42.887 1.00 0.00 S ATOM 0 H CYS A 49 85.727 -16.981 -44.395 1.00 0.00 H new ATOM 0 HA CYS A 49 88.074 -16.928 -42.728 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.164 -18.658 -45.077 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.601 -18.988 -44.130 1.00 0.00 H new ATOM 765 N ASP A 50 89.785 -15.851 -44.157 1.00 0.00 N ATOM 766 CA ASP A 50 90.787 -15.174 -44.971 1.00 0.00 C ATOM 767 C ASP A 50 92.106 -15.939 -44.943 1.00 0.00 C ATOM 768 O ASP A 50 92.746 -16.057 -43.899 1.00 0.00 O ATOM 769 CB ASP A 50 91.010 -13.752 -44.452 1.00 0.00 C ATOM 770 CG ASP A 50 89.673 -13.111 -44.096 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.654 -13.729 -44.359 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.687 -12.012 -43.568 1.00 0.00 O ATOM 0 H ASP A 50 89.974 -15.841 -43.155 1.00 0.00 H new ATOM 0 HA ASP A 50 90.425 -15.133 -45.998 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.657 -13.773 -43.575 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.519 -13.155 -45.209 1.00 0.00 H new ATOM 777 N TYR A 51 92.506 -16.459 -46.099 1.00 0.00 N ATOM 778 CA TYR A 51 93.776 -17.167 -46.208 1.00 0.00 C ATOM 779 C TYR A 51 94.804 -16.312 -46.943 1.00 0.00 C ATOM 780 O TYR A 51 95.287 -16.684 -48.012 1.00 0.00 O ATOM 781 CB TYR A 51 93.576 -18.485 -46.958 1.00 0.00 C ATOM 782 CG TYR A 51 92.167 -18.980 -46.736 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.143 -18.593 -47.609 1.00 0.00 C ATOM 784 CD2 TYR A 51 91.884 -19.825 -45.656 1.00 0.00 C ATOM 785 CE1 TYR A 51 89.836 -19.051 -47.402 1.00 0.00 C ATOM 786 CE2 TYR A 51 90.577 -20.283 -45.450 1.00 0.00 C ATOM 787 CZ TYR A 51 89.553 -19.896 -46.322 1.00 0.00 C ATOM 788 OH TYR A 51 88.264 -20.347 -46.119 1.00 0.00 O ATOM 0 H TYR A 51 91.974 -16.404 -46.967 1.00 0.00 H new ATOM 0 HA TYR A 51 94.143 -17.373 -45.203 1.00 0.00 H new ATOM 0 HB2 TYR A 51 93.759 -18.342 -48.023 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.293 -19.228 -46.608 1.00 0.00 H new ATOM 0 HD1 TYR A 51 91.361 -17.941 -48.442 1.00 0.00 H new ATOM 0 HD2 TYR A 51 92.674 -20.123 -44.982 1.00 0.00 H new ATOM 0 HE1 TYR A 51 89.046 -18.752 -48.075 1.00 0.00 H new ATOM 0 HE2 TYR A 51 90.359 -20.935 -44.617 1.00 0.00 H new ATOM 0 HH TYR A 51 87.911 -20.715 -46.956 1.00 0.00 H new ATOM 798 N CYS A 52 95.134 -15.162 -46.361 1.00 0.00 N ATOM 799 CA CYS A 52 96.087 -14.248 -46.981 1.00 0.00 C ATOM 800 C CYS A 52 96.427 -13.104 -46.031 1.00 0.00 C ATOM 801 O CYS A 52 96.109 -13.155 -44.843 1.00 0.00 O ATOM 802 CB CYS A 52 95.500 -13.681 -48.275 1.00 0.00 C ATOM 803 SG CYS A 52 95.804 -14.838 -49.634 1.00 0.00 S ATOM 0 H CYS A 52 94.759 -14.843 -45.468 1.00 0.00 H new ATOM 0 HA CYS A 52 96.999 -14.801 -47.207 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.429 -13.514 -48.158 1.00 0.00 H new ATOM 0 HB3 CYS A 52 95.951 -12.714 -48.499 1.00 0.00 H new ATOM 808 N GLU A 53 97.078 -12.075 -46.563 1.00 0.00 N ATOM 809 CA GLU A 53 97.440 -10.914 -45.756 1.00 0.00 C ATOM 810 C GLU A 53 96.460 -9.770 -45.991 1.00 0.00 C ATOM 811 O GLU A 53 96.779 -8.796 -46.674 1.00 0.00 O ATOM 812 CB GLU A 53 98.857 -10.456 -46.108 1.00 0.00 C ATOM 813 CG GLU A 53 99.861 -11.528 -45.680 1.00 0.00 C ATOM 814 CD GLU A 53 101.283 -11.054 -45.969 1.00 0.00 C ATOM 815 OE1 GLU A 53 101.425 -10.035 -46.624 1.00 0.00 O ATOM 816 OE2 GLU A 53 102.207 -11.719 -45.529 1.00 0.00 O ATOM 0 H GLU A 53 97.364 -12.020 -47.541 1.00 0.00 H new ATOM 0 HA GLU A 53 97.401 -11.199 -44.705 1.00 0.00 H new ATOM 0 HB2 GLU A 53 98.936 -10.276 -47.180 1.00 0.00 H new ATOM 0 HB3 GLU A 53 99.080 -9.513 -45.609 1.00 0.00 H new ATOM 0 HG2 GLU A 53 99.748 -11.740 -44.617 1.00 0.00 H new ATOM 0 HG3 GLU A 53 99.663 -12.458 -46.213 1.00 0.00 H new ATOM 823 N TYR A 54 95.265 -9.894 -45.422 1.00 0.00 N ATOM 824 CA TYR A 54 94.249 -8.859 -45.569 1.00 0.00 C ATOM 825 C TYR A 54 94.872 -7.472 -45.437 1.00 0.00 C ATOM 826 CB TYR A 54 93.165 -9.036 -44.504 1.00 0.00 C ATOM 827 CG TYR A 54 93.811 -9.309 -43.167 1.00 0.00 C ATOM 828 CD1 TYR A 54 94.142 -8.245 -42.320 1.00 0.00 C ATOM 829 CD2 TYR A 54 94.080 -10.625 -42.776 1.00 0.00 C ATOM 830 CE1 TYR A 54 94.741 -8.497 -41.080 1.00 0.00 C ATOM 831 CE2 TYR A 54 94.679 -10.878 -41.535 1.00 0.00 C ATOM 832 CZ TYR A 54 95.010 -9.814 -40.688 1.00 0.00 C ATOM 833 OH TYR A 54 95.601 -10.062 -39.466 1.00 0.00 O ATOM 0 H TYR A 54 94.978 -10.695 -44.859 1.00 0.00 H new ATOM 0 HA TYR A 54 93.804 -8.952 -46.560 1.00 0.00 H new ATOM 0 HB2 TYR A 54 92.548 -8.139 -44.445 1.00 0.00 H new ATOM 0 HB3 TYR A 54 92.505 -9.860 -44.776 1.00 0.00 H new ATOM 0 HD1 TYR A 54 93.935 -7.229 -42.623 1.00 0.00 H new ATOM 0 HD2 TYR A 54 93.826 -11.446 -43.431 1.00 0.00 H new ATOM 0 HE1 TYR A 54 94.995 -7.676 -40.426 1.00 0.00 H new ATOM 0 HE2 TYR A 54 94.885 -11.894 -41.232 1.00 0.00 H new ATOM 0 HH TYR A 54 95.717 -11.028 -39.349 1.00 0.00 H new TER 843 TYR A 54