USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 478 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 15 HIS : no HE2:sc= -4.61! C(o=-4.5!,f=-4.4!) USER MOD Set 1.2: A 16 THR OG1 : rot 69:sc= 0.0852 USER MOD Set 2.1: A 9 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 41 LYS NZ :NH3+ -169:sc= -0.246 (180deg=-0.695) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -102:sc= -0.413 (180deg=-2.15!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 14:sc= 0.0716 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0617 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc=-0.00155 X(o=-0.0016,f=-0.084) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= -0.0202 (180deg=-0.176) USER MOD Single : A 57 THR OG1 : rot 18:sc= 0.114 USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0232) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 3.888 -8.716 9.674 1.00 0.00 N ATOM 67 CA PHE A 8 3.008 -7.632 9.254 1.00 0.00 C ATOM 68 C PHE A 8 1.555 -8.096 9.212 1.00 0.00 C ATOM 69 O PHE A 8 1.269 -9.244 8.871 1.00 0.00 O ATOM 70 CB PHE A 8 3.428 -7.108 7.879 1.00 0.00 C ATOM 71 CG PHE A 8 4.878 -6.722 7.802 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.307 -5.492 8.276 1.00 0.00 C ATOM 73 CD2 PHE A 8 5.811 -7.588 7.256 1.00 0.00 C ATOM 74 CE1 PHE A 8 6.640 -5.133 8.207 1.00 0.00 C ATOM 75 CE2 PHE A 8 7.146 -7.235 7.185 1.00 0.00 C ATOM 76 CZ PHE A 8 7.560 -6.005 7.660 1.00 0.00 C ATOM 0 HA PHE A 8 3.093 -6.826 9.983 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.223 -7.873 7.130 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.816 -6.242 7.626 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.591 -4.806 8.704 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.492 -8.550 6.882 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.961 -4.172 8.580 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.864 -7.920 6.759 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.602 -5.726 7.603 1.00 0.00 H new ATOM 86 N CYS A 9 0.643 -7.195 9.561 1.00 0.00 N ATOM 87 CA CYS A 9 -0.781 -7.512 9.564 1.00 0.00 C ATOM 88 C CYS A 9 -1.267 -7.850 8.159 1.00 0.00 C ATOM 89 O CYS A 9 -1.843 -8.911 7.929 1.00 0.00 O ATOM 90 CB CYS A 9 -1.584 -6.337 10.126 1.00 0.00 C ATOM 91 SG CYS A 9 -3.375 -6.588 10.101 1.00 0.00 S ATOM 0 H CYS A 9 0.864 -6.241 9.845 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.932 -8.384 10.200 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.268 -6.153 11.153 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.345 -5.441 9.553 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.967 -5.542 10.597 1.00 0.00 H new ATOM 97 N GLY A 10 -1.030 -6.937 7.221 1.00 0.00 N ATOM 98 CA GLY A 10 -1.451 -7.156 5.850 1.00 0.00 C ATOM 99 C GLY A 10 -0.585 -6.413 4.851 1.00 0.00 C ATOM 100 O GLY A 10 0.433 -5.827 5.218 1.00 0.00 O ATOM 0 H GLY A 10 -0.554 -6.050 7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.420 -8.223 5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.487 -6.837 5.736 1.00 0.00 H new ATOM 104 N ARG A 11 -0.989 -6.439 3.586 1.00 0.00 N ATOM 105 CA ARG A 11 -0.241 -5.766 2.531 1.00 0.00 C ATOM 106 C ARG A 11 -1.177 -4.979 1.618 1.00 0.00 C ATOM 107 O ARG A 11 -2.398 -5.109 1.703 1.00 0.00 O ATOM 108 CB ARG A 11 0.554 -6.783 1.711 1.00 0.00 C ATOM 109 CG ARG A 11 1.744 -7.368 2.453 1.00 0.00 C ATOM 110 CD ARG A 11 2.649 -8.159 1.521 1.00 0.00 C ATOM 111 NE ARG A 11 3.936 -8.467 2.139 1.00 0.00 N ATOM 112 CZ ARG A 11 4.724 -9.458 1.738 1.00 0.00 C ATOM 113 NH1 ARG A 11 4.359 -10.233 0.726 1.00 0.00 N ATOM 114 NH2 ARG A 11 5.881 -9.676 2.351 1.00 0.00 N ATOM 0 H ARG A 11 -1.830 -6.919 3.266 1.00 0.00 H new ATOM 0 HA ARG A 11 0.452 -5.068 3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.110 -7.593 1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.906 -6.304 0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.314 -6.564 2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.391 -8.016 3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.153 -9.087 1.235 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.813 -7.590 0.606 1.00 0.00 H new ATOM 0 HE ARG A 11 4.246 -7.890 2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.470 -10.069 0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.967 -10.993 0.421 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.165 -9.082 3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.486 -10.437 2.043 1.00 0.00 H new ATOM 128 N ALA A 12 -0.596 -4.164 0.744 1.00 0.00 N ATOM 129 CA ALA A 12 -1.377 -3.358 -0.186 1.00 0.00 C ATOM 130 C ALA A 12 -0.597 -3.089 -1.469 1.00 0.00 C ATOM 131 O ALA A 12 0.562 -2.678 -1.426 1.00 0.00 O ATOM 132 CB ALA A 12 -1.789 -2.048 0.468 1.00 0.00 C ATOM 0 H ALA A 12 0.414 -4.044 0.661 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.274 -3.918 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.372 -1.456 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.392 -2.256 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.899 -1.491 0.760 1.00 0.00 H new ATOM 138 N ARG A 13 -1.240 -3.325 -2.607 1.00 0.00 N ATOM 139 CA ARG A 13 -0.606 -3.110 -3.902 1.00 0.00 C ATOM 140 C ARG A 13 -0.945 -1.727 -4.450 1.00 0.00 C ATOM 141 O ARG A 13 -2.113 -1.343 -4.518 1.00 0.00 O ATOM 142 CB ARG A 13 -1.047 -4.186 -4.895 1.00 0.00 C ATOM 143 CG ARG A 13 -0.155 -4.286 -6.122 1.00 0.00 C ATOM 144 CD ARG A 13 -0.182 -5.684 -6.719 1.00 0.00 C ATOM 145 NE ARG A 13 0.773 -5.831 -7.813 1.00 0.00 N ATOM 146 CZ ARG A 13 1.255 -7.001 -8.217 1.00 0.00 C ATOM 147 NH1 ARG A 13 0.872 -8.121 -7.619 1.00 0.00 N ATOM 148 NH2 ARG A 13 2.121 -7.054 -9.220 1.00 0.00 N ATOM 0 H ARG A 13 -2.200 -3.665 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 13 0.473 -3.173 -3.765 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.063 -5.151 -4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.068 -3.977 -5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.481 -3.564 -6.870 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.868 -4.025 -5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.042 -6.414 -5.942 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.186 -5.903 -7.082 1.00 0.00 H new ATOM 0 HE ARG A 13 1.088 -4.988 -8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.206 -8.085 -6.847 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.243 -9.018 -7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.418 -6.195 -9.683 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.490 -7.954 -9.528 1.00 0.00 H new ATOM 162 N VAL A 14 0.085 -0.982 -4.840 1.00 0.00 N ATOM 163 CA VAL A 14 -0.103 0.358 -5.383 1.00 0.00 C ATOM 164 C VAL A 14 -0.414 0.308 -6.875 1.00 0.00 C ATOM 165 O VAL A 14 0.437 -0.059 -7.686 1.00 0.00 O ATOM 166 CB VAL A 14 1.143 1.235 -5.159 1.00 0.00 C ATOM 167 CG1 VAL A 14 0.926 2.628 -5.729 1.00 0.00 C ATOM 168 CG2 VAL A 14 1.486 1.303 -3.679 1.00 0.00 C ATOM 0 H VAL A 14 1.058 -1.284 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.948 0.798 -4.853 1.00 0.00 H new ATOM 0 HB VAL A 14 1.984 0.782 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.817 3.233 -5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.732 2.557 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.073 3.094 -5.236 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.369 1.927 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.647 1.732 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.688 0.299 -3.306 1.00 0.00 H new ATOM 178 N HIS A 15 -1.640 0.680 -7.231 1.00 0.00 N ATOM 179 CA HIS A 15 -2.064 0.679 -8.627 1.00 0.00 C ATOM 180 C HIS A 15 -1.874 2.057 -9.253 1.00 0.00 C ATOM 181 O HIS A 15 -1.739 2.185 -10.471 1.00 0.00 O ATOM 182 CB HIS A 15 -3.528 0.253 -8.736 1.00 0.00 C ATOM 183 CG HIS A 15 -4.417 0.897 -7.717 1.00 0.00 C ATOM 184 ND1 HIS A 15 -5.320 1.892 -8.027 1.00 0.00 N ATOM 185 CD2 HIS A 15 -4.539 0.681 -6.386 1.00 0.00 C ATOM 186 CE1 HIS A 15 -5.958 2.261 -6.931 1.00 0.00 C ATOM 187 NE2 HIS A 15 -5.503 1.541 -5.921 1.00 0.00 N ATOM 0 H HIS A 15 -2.357 0.986 -6.573 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.444 -0.035 -9.170 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.896 0.497 -9.733 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.592 -0.830 -8.629 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -5.472 2.282 -8.957 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.982 -0.034 -5.799 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.722 3.022 -6.871 1.00 0.00 H new ATOM 195 N THR A 16 -1.865 3.088 -8.414 1.00 0.00 N ATOM 196 CA THR A 16 -1.694 4.456 -8.885 1.00 0.00 C ATOM 197 C THR A 16 -0.418 5.075 -8.326 1.00 0.00 C ATOM 198 O THR A 16 -0.233 5.150 -7.111 1.00 0.00 O ATOM 199 CB THR A 16 -2.894 5.340 -8.493 1.00 0.00 C ATOM 200 OG1 THR A 16 -4.092 4.831 -9.088 1.00 0.00 O ATOM 201 CG2 THR A 16 -2.673 6.779 -8.934 1.00 0.00 C ATOM 0 H THR A 16 -1.974 3.001 -7.404 1.00 0.00 H new ATOM 0 HA THR A 16 -1.626 4.409 -9.972 1.00 0.00 H new ATOM 0 HB THR A 16 -2.992 5.321 -7.408 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.330 3.979 -8.666 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.533 7.384 -8.646 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.776 7.173 -8.455 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.551 6.813 -10.017 1.00 0.00 H new ATOM 209 N ASP A 17 0.460 5.517 -9.220 1.00 0.00 N ATOM 210 CA ASP A 17 1.719 6.131 -8.816 1.00 0.00 C ATOM 211 C ASP A 17 1.475 7.476 -8.139 1.00 0.00 C ATOM 212 O ASP A 17 0.766 8.330 -8.670 1.00 0.00 O ATOM 213 CB ASP A 17 2.634 6.314 -10.028 1.00 0.00 C ATOM 214 CG ASP A 17 2.417 5.248 -11.084 1.00 0.00 C ATOM 215 OD1 ASP A 17 1.328 5.232 -11.694 1.00 0.00 O ATOM 216 OD2 ASP A 17 3.336 4.430 -11.299 1.00 0.00 O ATOM 0 H ASP A 17 0.323 5.461 -10.229 1.00 0.00 H new ATOM 0 HA ASP A 17 2.205 5.468 -8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.459 7.296 -10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.674 6.291 -9.701 1.00 0.00 H new ATOM 221 N PHE A 18 2.067 7.656 -6.963 1.00 0.00 N ATOM 222 CA PHE A 18 1.913 8.897 -6.212 1.00 0.00 C ATOM 223 C PHE A 18 3.272 9.472 -5.826 1.00 0.00 C ATOM 224 O PHE A 18 4.064 8.822 -5.142 1.00 0.00 O ATOM 225 CB PHE A 18 1.073 8.656 -4.955 1.00 0.00 C ATOM 226 CG PHE A 18 1.211 9.740 -3.925 1.00 0.00 C ATOM 227 CD1 PHE A 18 2.295 9.760 -3.062 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.258 10.739 -3.820 1.00 0.00 C ATOM 229 CE1 PHE A 18 2.424 10.756 -2.113 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.381 11.738 -2.873 1.00 0.00 C ATOM 231 CZ PHE A 18 1.467 11.747 -2.019 1.00 0.00 C ATOM 0 H PHE A 18 2.658 6.959 -6.509 1.00 0.00 H new ATOM 0 HA PHE A 18 1.402 9.618 -6.850 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.025 8.568 -5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.364 7.704 -4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.047 8.988 -3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.592 10.737 -4.486 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.273 10.759 -1.445 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.370 12.510 -2.801 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.567 12.528 -1.279 1.00 0.00 H new ATOM 241 N THR A 19 3.538 10.696 -6.270 1.00 0.00 N ATOM 242 CA THR A 19 4.801 11.360 -5.974 1.00 0.00 C ATOM 243 C THR A 19 4.582 12.609 -5.130 1.00 0.00 C ATOM 244 O THR A 19 4.157 13.654 -5.622 1.00 0.00 O ATOM 245 CB THR A 19 5.547 11.751 -7.265 1.00 0.00 C ATOM 246 OG1 THR A 19 5.792 10.586 -8.061 1.00 0.00 O ATOM 247 CG2 THR A 19 6.865 12.437 -6.941 1.00 0.00 C ATOM 0 H THR A 19 2.894 11.248 -6.837 1.00 0.00 H new ATOM 0 HA THR A 19 5.407 10.648 -5.414 1.00 0.00 H new ATOM 0 HB THR A 19 4.921 12.447 -7.824 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.265 10.843 -8.880 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.374 12.704 -7.867 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.673 13.339 -6.360 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.495 11.761 -6.363 1.00 0.00 H new ATOM 255 N PRO A 20 4.878 12.503 -3.826 1.00 0.00 N ATOM 256 CA PRO A 20 4.721 13.616 -2.885 1.00 0.00 C ATOM 257 C PRO A 20 5.739 14.726 -3.126 1.00 0.00 C ATOM 258 O PRO A 20 6.697 14.550 -3.878 1.00 0.00 O ATOM 259 CB PRO A 20 4.956 12.963 -1.520 1.00 0.00 C ATOM 260 CG PRO A 20 5.807 11.775 -1.810 1.00 0.00 C ATOM 261 CD PRO A 20 5.389 11.287 -3.170 1.00 0.00 C ATOM 0 HA PRO A 20 3.747 14.097 -2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.453 13.648 -0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.015 12.672 -1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.864 12.040 -1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.665 11.000 -1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.227 10.857 -3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.623 10.515 -3.102 1.00 0.00 H new ATOM 269 N SER A 21 5.525 15.869 -2.481 1.00 0.00 N ATOM 270 CA SER A 21 6.422 17.009 -2.628 1.00 0.00 C ATOM 271 C SER A 21 7.800 16.693 -2.055 1.00 0.00 C ATOM 272 O SER A 21 7.966 15.796 -1.228 1.00 0.00 O ATOM 273 CB SER A 21 5.837 18.238 -1.932 1.00 0.00 C ATOM 274 OG SER A 21 4.968 18.950 -2.797 1.00 0.00 O ATOM 0 H SER A 21 4.738 16.030 -1.852 1.00 0.00 H new ATOM 0 HA SER A 21 6.530 17.220 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.293 17.930 -1.039 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.644 18.892 -1.604 1.00 0.00 H new ATOM 0 HG SER A 21 4.606 19.730 -2.327 1.00 0.00 H new ATOM 280 N PRO A 22 8.814 17.448 -2.504 1.00 0.00 N ATOM 281 CA PRO A 22 10.196 17.268 -2.050 1.00 0.00 C ATOM 282 C PRO A 22 10.390 17.698 -0.599 1.00 0.00 C ATOM 283 O PRO A 22 11.440 17.455 -0.005 1.00 0.00 O ATOM 284 CB PRO A 22 10.998 18.174 -2.987 1.00 0.00 C ATOM 285 CG PRO A 22 10.028 19.215 -3.430 1.00 0.00 C ATOM 286 CD PRO A 22 8.689 18.535 -3.490 1.00 0.00 C ATOM 0 HA PRO A 22 10.502 16.222 -2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.850 18.620 -2.473 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.394 17.615 -3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.009 20.053 -2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.305 19.617 -4.404 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.879 19.218 -3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.478 18.150 -4.488 1.00 0.00 H new ATOM 294 N TYR A 23 9.371 18.337 -0.036 1.00 0.00 N ATOM 295 CA TYR A 23 9.430 18.803 1.345 1.00 0.00 C ATOM 296 C TYR A 23 9.019 17.696 2.311 1.00 0.00 C ATOM 297 O TYR A 23 9.606 17.542 3.382 1.00 0.00 O ATOM 298 CB TYR A 23 8.525 20.021 1.534 1.00 0.00 C ATOM 299 CG TYR A 23 9.063 21.280 0.891 1.00 0.00 C ATOM 300 CD1 TYR A 23 9.078 21.427 -0.490 1.00 0.00 C ATOM 301 CD2 TYR A 23 9.556 22.323 1.666 1.00 0.00 C ATOM 302 CE1 TYR A 23 9.568 22.575 -1.082 1.00 0.00 C ATOM 303 CE2 TYR A 23 10.047 23.475 1.083 1.00 0.00 C ATOM 304 CZ TYR A 23 10.052 23.596 -0.291 1.00 0.00 C ATOM 305 OH TYR A 23 10.541 24.742 -0.876 1.00 0.00 O ATOM 0 H TYR A 23 8.494 18.544 -0.514 1.00 0.00 H new ATOM 0 HA TYR A 23 10.460 19.087 1.562 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.542 19.801 1.117 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.386 20.198 2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.700 20.629 -1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.555 22.231 2.742 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.572 22.672 -2.158 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.425 24.277 1.700 1.00 0.00 H new ATOM 0 HH TYR A 23 10.842 25.362 -0.179 1.00 0.00 H new ATOM 315 N ASP A 24 8.008 16.927 1.923 1.00 0.00 N ATOM 316 CA ASP A 24 7.518 15.832 2.753 1.00 0.00 C ATOM 317 C ASP A 24 8.373 14.583 2.564 1.00 0.00 C ATOM 318 O ASP A 24 8.319 13.932 1.520 1.00 0.00 O ATOM 319 CB ASP A 24 6.058 15.522 2.416 1.00 0.00 C ATOM 320 CG ASP A 24 5.307 14.927 3.591 1.00 0.00 C ATOM 321 OD1 ASP A 24 5.932 14.195 4.385 1.00 0.00 O ATOM 322 OD2 ASP A 24 4.093 15.193 3.715 1.00 0.00 O ATOM 0 H ASP A 24 7.512 17.041 1.039 1.00 0.00 H new ATOM 0 HA ASP A 24 7.584 16.141 3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.560 16.437 2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.021 14.828 1.576 1.00 0.00 H new ATOM 327 N THR A 25 9.162 14.253 3.582 1.00 0.00 N ATOM 328 CA THR A 25 10.030 13.084 3.528 1.00 0.00 C ATOM 329 C THR A 25 9.289 11.828 3.972 1.00 0.00 C ATOM 330 O THR A 25 9.406 10.773 3.347 1.00 0.00 O ATOM 331 CB THR A 25 11.278 13.269 4.411 1.00 0.00 C ATOM 332 OG1 THR A 25 10.887 13.612 5.745 1.00 0.00 O ATOM 333 CG2 THR A 25 12.184 14.354 3.848 1.00 0.00 C ATOM 0 H THR A 25 9.217 14.779 4.454 1.00 0.00 H new ATOM 0 HA THR A 25 10.342 12.971 2.490 1.00 0.00 H new ATOM 0 HB THR A 25 11.829 12.329 4.424 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.686 13.726 6.301 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.059 14.466 4.489 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.503 14.076 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.640 15.298 3.808 1.00 0.00 H new ATOM 341 N ASP A 26 8.527 11.948 5.053 1.00 0.00 N ATOM 342 CA ASP A 26 7.764 10.821 5.580 1.00 0.00 C ATOM 343 C ASP A 26 6.980 10.129 4.469 1.00 0.00 C ATOM 344 O ASP A 26 7.071 8.914 4.296 1.00 0.00 O ATOM 345 CB ASP A 26 6.810 11.293 6.678 1.00 0.00 C ATOM 346 CG ASP A 26 6.532 10.214 7.706 1.00 0.00 C ATOM 347 OD1 ASP A 26 7.457 9.432 8.010 1.00 0.00 O ATOM 348 OD2 ASP A 26 5.389 10.152 8.206 1.00 0.00 O ATOM 0 H ASP A 26 8.421 12.814 5.582 1.00 0.00 H new ATOM 0 HA ASP A 26 8.467 10.104 6.004 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.236 12.164 7.176 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.870 11.612 6.227 1.00 0.00 H new ATOM 353 N SER A 27 6.209 10.911 3.721 1.00 0.00 N ATOM 354 CA SER A 27 5.404 10.373 2.630 1.00 0.00 C ATOM 355 C SER A 27 6.272 9.587 1.652 1.00 0.00 C ATOM 356 O SER A 27 7.106 10.157 0.947 1.00 0.00 O ATOM 357 CB SER A 27 4.683 11.504 1.894 1.00 0.00 C ATOM 358 OG SER A 27 3.821 12.213 2.768 1.00 0.00 O ATOM 0 H SER A 27 6.124 11.919 3.850 1.00 0.00 H new ATOM 0 HA SER A 27 4.663 9.697 3.057 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.415 12.189 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.107 11.093 1.064 1.00 0.00 H new ATOM 0 HG SER A 27 3.373 12.931 2.274 1.00 0.00 H new ATOM 364 N LEU A 28 6.070 8.275 1.614 1.00 0.00 N ATOM 365 CA LEU A 28 6.833 7.408 0.722 1.00 0.00 C ATOM 366 C LEU A 28 6.378 7.579 -0.723 1.00 0.00 C ATOM 367 O LEU A 28 5.255 8.011 -0.986 1.00 0.00 O ATOM 368 CB LEU A 28 6.682 5.946 1.148 1.00 0.00 C ATOM 369 CG LEU A 28 7.035 5.630 2.601 1.00 0.00 C ATOM 370 CD1 LEU A 28 6.482 4.271 3.002 1.00 0.00 C ATOM 371 CD2 LEU A 28 8.542 5.676 2.806 1.00 0.00 C ATOM 0 H LEU A 28 5.384 7.788 2.191 1.00 0.00 H new ATOM 0 HA LEU A 28 7.883 7.692 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.650 5.642 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.310 5.333 0.501 1.00 0.00 H new ATOM 0 HG LEU A 28 6.578 6.387 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.743 4.064 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.397 4.273 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.908 3.501 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.775 5.449 3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.020 4.941 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.912 6.671 2.561 1.00 0.00 H new ATOM 383 N LYS A 29 7.256 7.234 -1.659 1.00 0.00 N ATOM 384 CA LYS A 29 6.945 7.345 -3.079 1.00 0.00 C ATOM 385 C LYS A 29 6.297 6.065 -3.596 1.00 0.00 C ATOM 386 O LYS A 29 6.946 5.022 -3.689 1.00 0.00 O ATOM 387 CB LYS A 29 8.215 7.645 -3.879 1.00 0.00 C ATOM 388 CG LYS A 29 7.944 8.205 -5.264 1.00 0.00 C ATOM 389 CD LYS A 29 9.233 8.570 -5.980 1.00 0.00 C ATOM 390 CE LYS A 29 9.760 9.922 -5.524 1.00 0.00 C ATOM 391 NZ LYS A 29 10.618 9.803 -4.313 1.00 0.00 N ATOM 0 H LYS A 29 8.190 6.875 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 29 6.240 8.166 -3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.826 8.356 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.799 6.729 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.395 7.471 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.309 9.087 -5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.985 7.803 -5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.060 8.590 -7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.332 10.380 -6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.922 10.586 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.075 10.090 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.930 8.817 -4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.449 10.419 -4.415 1.00 0.00 H new ATOM 405 N LEU A 30 5.014 6.150 -3.932 1.00 0.00 N ATOM 406 CA LEU A 30 4.278 4.998 -4.442 1.00 0.00 C ATOM 407 C LEU A 30 4.398 4.903 -5.959 1.00 0.00 C ATOM 408 O LEU A 30 4.318 5.910 -6.664 1.00 0.00 O ATOM 409 CB LEU A 30 2.805 5.092 -4.040 1.00 0.00 C ATOM 410 CG LEU A 30 2.529 5.433 -2.575 1.00 0.00 C ATOM 411 CD1 LEU A 30 1.044 5.674 -2.354 1.00 0.00 C ATOM 412 CD2 LEU A 30 3.032 4.321 -1.665 1.00 0.00 C ATOM 0 H LEU A 30 4.462 7.005 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 30 4.711 4.098 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.326 5.847 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.326 4.140 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 30 3.066 6.349 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.867 5.915 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.713 6.504 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.486 4.776 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.827 4.580 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.523 3.390 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.106 4.196 -1.803 1.00 0.00 H new ATOM 424 N LYS A 31 4.590 3.686 -6.457 1.00 0.00 N ATOM 425 CA LYS A 31 4.718 3.457 -7.891 1.00 0.00 C ATOM 426 C LYS A 31 3.905 2.240 -8.323 1.00 0.00 C ATOM 427 O LYS A 31 3.750 1.284 -7.563 1.00 0.00 O ATOM 428 CB LYS A 31 6.188 3.262 -8.269 1.00 0.00 C ATOM 429 CG LYS A 31 6.491 3.583 -9.722 1.00 0.00 C ATOM 430 CD LYS A 31 6.709 5.073 -9.930 1.00 0.00 C ATOM 431 CE LYS A 31 7.588 5.343 -11.141 1.00 0.00 C ATOM 432 NZ LYS A 31 6.804 5.338 -12.408 1.00 0.00 N ATOM 0 H LYS A 31 4.660 2.843 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 31 4.330 4.334 -8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.805 3.893 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.472 2.229 -8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.379 3.037 -10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.667 3.244 -10.350 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.747 5.568 -10.060 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.171 5.502 -9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.082 6.308 -11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.372 4.588 -11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.439 5.526 -13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.353 4.409 -12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.072 6.076 -12.366 1.00 0.00 H new ATOM 446 N LYS A 32 3.390 2.282 -9.546 1.00 0.00 N ATOM 447 CA LYS A 32 2.595 1.182 -10.081 1.00 0.00 C ATOM 448 C LYS A 32 3.342 -0.141 -9.950 1.00 0.00 C ATOM 449 O LYS A 32 4.298 -0.400 -10.679 1.00 0.00 O ATOM 450 CB LYS A 32 2.249 1.442 -11.549 1.00 0.00 C ATOM 451 CG LYS A 32 1.189 0.504 -12.098 1.00 0.00 C ATOM 452 CD LYS A 32 1.120 0.567 -13.615 1.00 0.00 C ATOM 453 CE LYS A 32 2.264 -0.203 -14.257 1.00 0.00 C ATOM 454 NZ LYS A 32 2.507 0.232 -15.660 1.00 0.00 N ATOM 0 H LYS A 32 3.509 3.067 -10.187 1.00 0.00 H new ATOM 0 HA LYS A 32 1.673 1.118 -9.503 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.903 2.470 -11.656 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.154 1.346 -12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.408 -0.517 -11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.218 0.765 -11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.169 0.157 -13.954 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.153 1.607 -13.939 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.172 -0.061 -13.670 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.038 -1.269 -14.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.294 -0.316 -16.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.649 0.073 -16.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.748 1.244 -15.673 1.00 0.00 H new ATOM 468 N GLY A 33 2.897 -0.977 -9.017 1.00 0.00 N ATOM 469 CA GLY A 33 3.534 -2.265 -8.809 1.00 0.00 C ATOM 470 C GLY A 33 4.521 -2.244 -7.659 1.00 0.00 C ATOM 471 O GLY A 33 5.645 -2.731 -7.788 1.00 0.00 O ATOM 0 H GLY A 33 2.107 -0.786 -8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.770 -3.018 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.050 -2.563 -9.722 1.00 0.00 H new ATOM 475 N ASP A 34 4.103 -1.678 -6.532 1.00 0.00 N ATOM 476 CA ASP A 34 4.959 -1.596 -5.354 1.00 0.00 C ATOM 477 C ASP A 34 4.231 -2.111 -4.116 1.00 0.00 C ATOM 478 O ASP A 34 3.171 -1.603 -3.751 1.00 0.00 O ATOM 479 CB ASP A 34 5.415 -0.153 -5.129 1.00 0.00 C ATOM 480 CG ASP A 34 6.262 0.371 -6.272 1.00 0.00 C ATOM 481 OD1 ASP A 34 5.913 0.103 -7.440 1.00 0.00 O ATOM 482 OD2 ASP A 34 7.275 1.049 -5.997 1.00 0.00 O ATOM 0 H ASP A 34 3.177 -1.269 -6.409 1.00 0.00 H new ATOM 0 HA ASP A 34 5.834 -2.223 -5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.541 0.486 -5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.985 -0.096 -4.202 1.00 0.00 H new ATOM 487 N ILE A 35 4.807 -3.123 -3.476 1.00 0.00 N ATOM 488 CA ILE A 35 4.214 -3.707 -2.280 1.00 0.00 C ATOM 489 C ILE A 35 4.677 -2.977 -1.024 1.00 0.00 C ATOM 490 O ILE A 35 5.858 -2.659 -0.879 1.00 0.00 O ATOM 491 CB ILE A 35 4.563 -5.201 -2.150 1.00 0.00 C ATOM 492 CG1 ILE A 35 4.099 -5.966 -3.392 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.931 -5.786 -0.896 1.00 0.00 C ATOM 494 CD1 ILE A 35 2.607 -5.887 -3.628 1.00 0.00 C ATOM 0 H ILE A 35 5.684 -3.555 -3.766 1.00 0.00 H new ATOM 0 HA ILE A 35 3.134 -3.602 -2.381 1.00 0.00 H new ATOM 0 HB ILE A 35 5.645 -5.299 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.618 -5.573 -4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.388 -7.012 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.187 -6.843 -0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.305 -5.257 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.848 -5.678 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.350 -6.451 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.080 -6.307 -2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.314 -4.845 -3.759 1.00 0.00 H new ATOM 506 N ILE A 36 3.741 -2.717 -0.118 1.00 0.00 N ATOM 507 CA ILE A 36 4.054 -2.028 1.127 1.00 0.00 C ATOM 508 C ILE A 36 3.676 -2.877 2.336 1.00 0.00 C ATOM 509 O ILE A 36 2.521 -3.274 2.492 1.00 0.00 O ATOM 510 CB ILE A 36 3.328 -0.673 1.219 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.727 0.225 0.046 1.00 0.00 C ATOM 512 CG2 ILE A 36 3.641 0.008 2.543 1.00 0.00 C ATOM 513 CD1 ILE A 36 2.709 1.300 -0.266 1.00 0.00 C ATOM 0 H ILE A 36 2.759 -2.973 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 36 5.130 -1.855 1.129 1.00 0.00 H new ATOM 0 HB ILE A 36 2.254 -0.850 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.684 0.696 0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.874 -0.393 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.120 0.964 2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.312 -0.627 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.715 0.175 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.058 1.898 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.756 0.836 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.579 1.942 0.605 1.00 0.00 H new ATOM 525 N ASP A 37 4.656 -3.151 3.190 1.00 0.00 N ATOM 526 CA ASP A 37 4.427 -3.951 4.387 1.00 0.00 C ATOM 527 C ASP A 37 3.712 -3.133 5.458 1.00 0.00 C ATOM 528 O ASP A 37 4.307 -2.253 6.081 1.00 0.00 O ATOM 529 CB ASP A 37 5.753 -4.482 4.934 1.00 0.00 C ATOM 530 CG ASP A 37 6.202 -5.749 4.233 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.328 -6.525 3.792 1.00 0.00 O ATOM 532 OD2 ASP A 37 7.427 -5.966 4.125 1.00 0.00 O ATOM 0 H ASP A 37 5.617 -2.830 3.075 1.00 0.00 H new ATOM 0 HA ASP A 37 3.792 -4.794 4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.521 -3.717 4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.650 -4.678 6.001 1.00 0.00 H new ATOM 537 N ILE A 38 2.433 -3.429 5.666 1.00 0.00 N ATOM 538 CA ILE A 38 1.638 -2.721 6.661 1.00 0.00 C ATOM 539 C ILE A 38 2.104 -3.053 8.075 1.00 0.00 C ATOM 540 O ILE A 38 2.048 -4.207 8.502 1.00 0.00 O ATOM 541 CB ILE A 38 0.142 -3.061 6.533 1.00 0.00 C ATOM 542 CG1 ILE A 38 -0.393 -2.604 5.174 1.00 0.00 C ATOM 543 CG2 ILE A 38 -0.647 -2.417 7.663 1.00 0.00 C ATOM 544 CD1 ILE A 38 -1.757 -3.167 4.840 1.00 0.00 C ATOM 0 H ILE A 38 1.926 -4.154 5.159 1.00 0.00 H new ATOM 0 HA ILE A 38 1.777 -1.656 6.475 1.00 0.00 H new ATOM 0 HB ILE A 38 0.023 -4.142 6.604 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.445 -1.515 5.161 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.313 -2.899 4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.703 -2.667 7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.280 -2.787 8.620 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.525 -1.335 7.622 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.073 -2.801 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.706 -4.256 4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.476 -2.851 5.596 1.00 0.00 H new ATOM 556 N ILE A 39 2.562 -2.035 8.796 1.00 0.00 N ATOM 557 CA ILE A 39 3.034 -2.219 10.162 1.00 0.00 C ATOM 558 C ILE A 39 1.929 -1.925 11.170 1.00 0.00 C ATOM 559 O ILE A 39 1.676 -2.716 12.079 1.00 0.00 O ATOM 560 CB ILE A 39 4.244 -1.316 10.466 1.00 0.00 C ATOM 561 CG1 ILE A 39 5.399 -1.636 9.515 1.00 0.00 C ATOM 562 CG2 ILE A 39 4.681 -1.484 11.913 1.00 0.00 C ATOM 563 CD1 ILE A 39 6.340 -0.472 9.293 1.00 0.00 C ATOM 0 H ILE A 39 2.616 -1.075 8.457 1.00 0.00 H new ATOM 0 HA ILE A 39 3.337 -3.262 10.253 1.00 0.00 H new ATOM 0 HB ILE A 39 3.950 -0.277 10.314 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.964 -2.479 9.914 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.991 -1.951 8.555 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.537 -0.839 12.112 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.859 -1.211 12.575 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.960 -2.523 12.091 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.134 -0.771 8.609 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.789 0.365 8.865 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.776 -0.170 10.245 1.00 0.00 H new ATOM 575 N SER A 40 1.271 -0.782 11.003 1.00 0.00 N ATOM 576 CA SER A 40 0.193 -0.382 11.899 1.00 0.00 C ATOM 577 C SER A 40 -0.909 0.345 11.134 1.00 0.00 C ATOM 578 O SER A 40 -0.638 1.243 10.336 1.00 0.00 O ATOM 579 CB SER A 40 0.734 0.516 13.013 1.00 0.00 C ATOM 580 OG SER A 40 1.356 -0.251 14.029 1.00 0.00 O ATOM 0 H SER A 40 1.466 -0.117 10.255 1.00 0.00 H new ATOM 0 HA SER A 40 -0.231 -1.283 12.342 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.451 1.224 12.598 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.080 1.100 13.441 1.00 0.00 H new ATOM 0 HG SER A 40 1.510 -1.162 13.703 1.00 0.00 H new ATOM 586 N LYS A 41 -2.153 -0.049 11.383 1.00 0.00 N ATOM 587 CA LYS A 41 -3.297 0.564 10.720 1.00 0.00 C ATOM 588 C LYS A 41 -4.252 1.178 11.739 1.00 0.00 C ATOM 589 O LYS A 41 -5.035 0.483 12.388 1.00 0.00 O ATOM 590 CB LYS A 41 -4.037 -0.473 9.871 1.00 0.00 C ATOM 591 CG LYS A 41 -3.195 -1.053 8.749 1.00 0.00 C ATOM 592 CD LYS A 41 -4.050 -1.450 7.557 1.00 0.00 C ATOM 593 CE LYS A 41 -4.943 -2.637 7.883 1.00 0.00 C ATOM 594 NZ LYS A 41 -4.173 -3.764 8.479 1.00 0.00 N ATOM 0 H LYS A 41 -2.395 -0.791 12.040 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.927 1.358 10.071 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.375 -1.284 10.516 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.928 -0.012 9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.451 -0.321 8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.651 -1.924 9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.665 -0.604 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.407 -1.698 6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.724 -2.324 8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.440 -2.977 6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.772 -4.613 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.333 -3.957 7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.875 -3.510 9.443 1.00 0.00 H new ATOM 608 N PRO A 42 -4.189 2.509 11.883 1.00 0.00 N ATOM 609 CA PRO A 42 -5.043 3.245 12.821 1.00 0.00 C ATOM 610 C PRO A 42 -6.504 3.264 12.383 1.00 0.00 C ATOM 611 O PRO A 42 -6.838 2.954 11.239 1.00 0.00 O ATOM 612 CB PRO A 42 -4.460 4.660 12.796 1.00 0.00 C ATOM 613 CG PRO A 42 -3.798 4.774 11.466 1.00 0.00 C ATOM 614 CD PRO A 42 -3.280 3.400 11.143 1.00 0.00 C ATOM 0 HA PRO A 42 -5.049 2.788 13.811 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.240 5.412 12.915 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.747 4.809 13.607 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.503 5.114 10.707 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.986 5.500 11.495 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.308 3.202 10.071 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.246 3.275 11.464 1.00 0.00 H new ATOM 622 N PRO A 43 -7.397 3.635 13.312 1.00 0.00 N ATOM 623 CA PRO A 43 -8.836 3.704 13.044 1.00 0.00 C ATOM 624 C PRO A 43 -9.196 4.846 12.100 1.00 0.00 C ATOM 625 O PRO A 43 -10.186 4.773 11.373 1.00 0.00 O ATOM 626 CB PRO A 43 -9.444 3.942 14.429 1.00 0.00 C ATOM 627 CG PRO A 43 -8.358 4.596 15.211 1.00 0.00 C ATOM 628 CD PRO A 43 -7.069 4.018 14.696 1.00 0.00 C ATOM 0 HA PRO A 43 -9.203 2.803 12.552 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.327 4.578 14.370 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.756 3.005 14.891 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.380 5.678 15.080 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.474 4.402 16.277 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.259 4.747 14.730 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.750 3.159 15.286 1.00 0.00 H new ATOM 636 N MET A 44 -8.387 5.900 12.118 1.00 0.00 N ATOM 637 CA MET A 44 -8.620 7.057 11.262 1.00 0.00 C ATOM 638 C MET A 44 -7.309 7.761 10.930 1.00 0.00 C ATOM 639 O MET A 44 -6.481 8.000 11.808 1.00 0.00 O ATOM 640 CB MET A 44 -9.580 8.036 11.942 1.00 0.00 C ATOM 641 CG MET A 44 -10.955 7.448 12.215 1.00 0.00 C ATOM 642 SD MET A 44 -12.240 8.708 12.322 1.00 0.00 S ATOM 643 CE MET A 44 -12.293 8.989 14.090 1.00 0.00 C ATOM 0 H MET A 44 -7.564 5.977 12.716 1.00 0.00 H new ATOM 0 HA MET A 44 -9.068 6.705 10.333 1.00 0.00 H new ATOM 0 HB2 MET A 44 -9.142 8.367 12.884 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.690 8.920 11.314 1.00 0.00 H new ATOM 0 HG2 MET A 44 -11.208 6.743 11.423 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.926 6.884 13.147 1.00 0.00 H new ATOM 0 HE1 MET A 44 -13.044 9.746 14.316 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.550 8.060 14.599 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.317 9.332 14.433 1.00 0.00 H new ATOM 653 N GLY A 45 -7.125 8.091 9.655 1.00 0.00 N ATOM 654 CA GLY A 45 -5.912 8.763 9.229 1.00 0.00 C ATOM 655 C GLY A 45 -5.113 7.945 8.235 1.00 0.00 C ATOM 656 O GLY A 45 -5.606 6.952 7.697 1.00 0.00 O ATOM 0 H GLY A 45 -7.795 7.904 8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.170 9.722 8.780 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.293 8.975 10.101 1.00 0.00 H new ATOM 660 N THR A 46 -3.875 8.360 7.987 1.00 0.00 N ATOM 661 CA THR A 46 -3.007 7.661 7.049 1.00 0.00 C ATOM 662 C THR A 46 -2.492 6.356 7.645 1.00 0.00 C ATOM 663 O THR A 46 -2.557 6.147 8.856 1.00 0.00 O ATOM 664 CB THR A 46 -1.806 8.533 6.637 1.00 0.00 C ATOM 665 OG1 THR A 46 -1.423 9.384 7.723 1.00 0.00 O ATOM 666 CG2 THR A 46 -2.144 9.379 5.418 1.00 0.00 C ATOM 0 H THR A 46 -3.451 9.178 8.424 1.00 0.00 H new ATOM 0 HA THR A 46 -3.607 7.443 6.166 1.00 0.00 H new ATOM 0 HB THR A 46 -0.976 7.873 6.383 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.658 9.934 7.454 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.281 9.986 5.146 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.407 8.728 4.585 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.987 10.030 5.649 1.00 0.00 H new ATOM 674 N TRP A 47 -1.979 5.481 6.786 1.00 0.00 N ATOM 675 CA TRP A 47 -1.452 4.195 7.229 1.00 0.00 C ATOM 676 C TRP A 47 0.072 4.218 7.273 1.00 0.00 C ATOM 677 O TRP A 47 0.709 5.031 6.604 1.00 0.00 O ATOM 678 CB TRP A 47 -1.931 3.077 6.302 1.00 0.00 C ATOM 679 CG TRP A 47 -3.345 2.654 6.564 1.00 0.00 C ATOM 680 CD1 TRP A 47 -4.171 3.119 7.547 1.00 0.00 C ATOM 681 CD2 TRP A 47 -4.097 1.679 5.833 1.00 0.00 C ATOM 682 NE1 TRP A 47 -5.391 2.492 7.471 1.00 0.00 N ATOM 683 CE2 TRP A 47 -5.372 1.604 6.428 1.00 0.00 C ATOM 684 CE3 TRP A 47 -3.818 0.863 4.734 1.00 0.00 C ATOM 685 CZ2 TRP A 47 -6.362 0.746 5.959 1.00 0.00 C ATOM 686 CZ3 TRP A 47 -4.802 0.011 4.270 1.00 0.00 C ATOM 687 CH2 TRP A 47 -6.062 -0.042 4.881 1.00 0.00 C ATOM 0 H TRP A 47 -1.917 5.639 5.780 1.00 0.00 H new ATOM 0 HA TRP A 47 -1.823 4.006 8.236 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.845 3.410 5.268 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.274 2.214 6.415 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -3.904 3.869 8.277 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.183 2.660 8.091 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -2.850 0.897 4.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.333 0.703 6.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.596 -0.625 3.422 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.811 -0.717 4.494 1.00 0.00 H new ATOM 698 N MET A 48 0.651 3.320 8.064 1.00 0.00 N ATOM 699 CA MET A 48 2.101 3.237 8.193 1.00 0.00 C ATOM 700 C MET A 48 2.621 1.913 7.644 1.00 0.00 C ATOM 701 O MET A 48 2.130 0.844 8.006 1.00 0.00 O ATOM 702 CB MET A 48 2.514 3.393 9.658 1.00 0.00 C ATOM 703 CG MET A 48 3.913 3.961 9.838 1.00 0.00 C ATOM 704 SD MET A 48 3.933 5.763 9.858 1.00 0.00 S ATOM 705 CE MET A 48 4.624 6.076 11.480 1.00 0.00 C ATOM 0 H MET A 48 0.138 2.640 8.625 1.00 0.00 H new ATOM 0 HA MET A 48 2.539 4.048 7.611 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.799 4.044 10.161 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.460 2.421 10.148 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.336 3.586 10.770 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.553 3.603 9.031 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.700 7.151 11.642 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.978 5.639 12.241 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.616 5.629 11.545 1.00 0.00 H new ATOM 715 N GLY A 49 3.617 1.990 6.767 1.00 0.00 N ATOM 716 CA GLY A 49 4.186 0.790 6.182 1.00 0.00 C ATOM 717 C GLY A 49 5.630 0.978 5.762 1.00 0.00 C ATOM 718 O GLY A 49 6.035 2.076 5.377 1.00 0.00 O ATOM 0 H GLY A 49 4.040 2.863 6.451 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.124 -0.026 6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.594 0.496 5.315 1.00 0.00 H new ATOM 722 N LEU A 50 6.411 -0.094 5.837 1.00 0.00 N ATOM 723 CA LEU A 50 7.820 -0.042 5.463 1.00 0.00 C ATOM 724 C LEU A 50 8.007 -0.410 3.994 1.00 0.00 C ATOM 725 O LEU A 50 7.515 -1.440 3.534 1.00 0.00 O ATOM 726 CB LEU A 50 8.637 -0.987 6.345 1.00 0.00 C ATOM 727 CG LEU A 50 10.152 -0.954 6.141 1.00 0.00 C ATOM 728 CD1 LEU A 50 10.735 0.343 6.678 1.00 0.00 C ATOM 729 CD2 LEU A 50 10.807 -2.153 6.811 1.00 0.00 C ATOM 0 H LEU A 50 6.092 -1.010 6.153 1.00 0.00 H new ATOM 0 HA LEU A 50 8.173 0.979 5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.426 -0.752 7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.289 -2.005 6.171 1.00 0.00 H new ATOM 0 HG LEU A 50 10.356 -1.004 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.814 0.348 6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.289 1.187 6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.520 0.425 7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.885 -2.113 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.594 -2.134 7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.412 -3.072 6.378 1.00 0.00 H new ATOM 741 N LEU A 51 8.723 0.438 3.265 1.00 0.00 N ATOM 742 CA LEU A 51 8.978 0.202 1.848 1.00 0.00 C ATOM 743 C LEU A 51 10.296 0.840 1.418 1.00 0.00 C ATOM 744 O LEU A 51 10.561 2.003 1.720 1.00 0.00 O ATOM 745 CB LEU A 51 7.830 0.757 1.003 1.00 0.00 C ATOM 746 CG LEU A 51 8.083 0.838 -0.503 1.00 0.00 C ATOM 747 CD1 LEU A 51 7.964 -0.539 -1.139 1.00 0.00 C ATOM 748 CD2 LEU A 51 7.114 1.814 -1.154 1.00 0.00 C ATOM 0 H LEU A 51 9.137 1.295 3.631 1.00 0.00 H new ATOM 0 HA LEU A 51 9.048 -0.874 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.949 0.137 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.589 1.757 1.365 1.00 0.00 H new ATOM 0 HG LEU A 51 9.098 1.203 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.147 -0.462 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.698 -1.210 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.962 -0.933 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.308 1.859 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.091 1.479 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.248 2.804 -0.719 1.00 0.00 H new ATOM 760 N ASN A 52 11.116 0.071 0.709 1.00 0.00 N ATOM 761 CA ASN A 52 12.405 0.562 0.235 1.00 0.00 C ATOM 762 C ASN A 52 13.274 1.021 1.402 1.00 0.00 C ATOM 763 O ASN A 52 13.918 2.068 1.335 1.00 0.00 O ATOM 764 CB ASN A 52 12.204 1.715 -0.751 1.00 0.00 C ATOM 765 CG ASN A 52 12.087 1.236 -2.185 1.00 0.00 C ATOM 766 OD1 ASN A 52 12.969 0.545 -2.694 1.00 0.00 O ATOM 767 ND2 ASN A 52 10.993 1.602 -2.843 1.00 0.00 N ATOM 0 H ASN A 52 10.911 -0.894 0.450 1.00 0.00 H new ATOM 0 HA ASN A 52 12.914 -0.257 -0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.304 2.268 -0.481 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.041 2.409 -0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.858 1.309 -3.811 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.288 2.176 -2.381 1.00 0.00 H new ATOM 774 N ASN A 53 13.287 0.231 2.470 1.00 0.00 N ATOM 775 CA ASN A 53 14.077 0.556 3.652 1.00 0.00 C ATOM 776 C ASN A 53 13.665 1.908 4.226 1.00 0.00 C ATOM 777 O ASN A 53 14.494 2.649 4.756 1.00 0.00 O ATOM 778 CB ASN A 53 15.568 0.568 3.307 1.00 0.00 C ATOM 779 CG ASN A 53 16.136 -0.829 3.149 1.00 0.00 C ATOM 780 OD1 ASN A 53 16.190 -1.367 2.042 1.00 0.00 O ATOM 781 ND2 ASN A 53 16.562 -1.424 4.257 1.00 0.00 N ATOM 0 H ASN A 53 12.759 -0.639 2.542 1.00 0.00 H new ATOM 0 HA ASN A 53 13.892 -0.210 4.405 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.720 1.126 2.383 1.00 0.00 H new ATOM 0 HB3 ASN A 53 16.115 1.093 4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 53 16.953 -2.365 4.212 1.00 0.00 H new ATOM 0 HD22 ASN A 53 16.498 -0.940 5.153 1.00 0.00 H new ATOM 788 N LYS A 54 12.379 2.224 4.118 1.00 0.00 N ATOM 789 CA LYS A 54 11.855 3.485 4.628 1.00 0.00 C ATOM 790 C LYS A 54 10.387 3.347 5.016 1.00 0.00 C ATOM 791 O LYS A 54 9.563 2.896 4.220 1.00 0.00 O ATOM 792 CB LYS A 54 12.015 4.588 3.579 1.00 0.00 C ATOM 793 CG LYS A 54 11.526 5.948 4.047 1.00 0.00 C ATOM 794 CD LYS A 54 12.637 6.742 4.712 1.00 0.00 C ATOM 795 CE LYS A 54 12.136 8.085 5.221 1.00 0.00 C ATOM 796 NZ LYS A 54 11.127 7.925 6.305 1.00 0.00 N ATOM 0 H LYS A 54 11.680 1.623 3.681 1.00 0.00 H new ATOM 0 HA LYS A 54 12.424 3.753 5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.066 4.665 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.468 4.304 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.136 6.508 3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.701 5.818 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.049 6.168 5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.448 6.901 4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.978 8.670 5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.697 8.646 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.973 8.840 6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.231 7.590 5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.472 7.233 7.001 1.00 0.00 H new ATOM 810 N VAL A 55 10.065 3.740 6.245 1.00 0.00 N ATOM 811 CA VAL A 55 8.694 3.663 6.738 1.00 0.00 C ATOM 812 C VAL A 55 8.111 5.054 6.961 1.00 0.00 C ATOM 813 O VAL A 55 8.715 5.892 7.629 1.00 0.00 O ATOM 814 CB VAL A 55 8.616 2.868 8.054 1.00 0.00 C ATOM 815 CG1 VAL A 55 9.599 3.423 9.073 1.00 0.00 C ATOM 816 CG2 VAL A 55 7.198 2.887 8.604 1.00 0.00 C ATOM 0 H VAL A 55 10.734 4.115 6.917 1.00 0.00 H new ATOM 0 HA VAL A 55 8.111 3.147 5.975 1.00 0.00 H new ATOM 0 HB VAL A 55 8.888 1.833 7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.529 2.848 9.996 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.612 3.352 8.677 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.361 4.467 9.277 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.161 2.320 9.534 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.895 3.917 8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.520 2.438 7.878 1.00 0.00 H new ATOM 826 N GLY A 56 6.931 5.292 6.397 1.00 0.00 N ATOM 827 CA GLY A 56 6.285 6.583 6.546 1.00 0.00 C ATOM 828 C GLY A 56 4.773 6.480 6.525 1.00 0.00 C ATOM 829 O GLY A 56 4.198 5.537 7.071 1.00 0.00 O ATOM 0 H GLY A 56 6.411 4.614 5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.602 7.038 7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.612 7.244 5.744 1.00 0.00 H new ATOM 833 N THR A 57 4.124 7.454 5.894 1.00 0.00 N ATOM 834 CA THR A 57 2.669 7.471 5.806 1.00 0.00 C ATOM 835 C THR A 57 2.206 7.483 4.354 1.00 0.00 C ATOM 836 O THR A 57 2.691 8.273 3.543 1.00 0.00 O ATOM 837 CB THR A 57 2.077 8.694 6.532 1.00 0.00 C ATOM 838 OG1 THR A 57 2.506 9.900 5.890 1.00 0.00 O ATOM 839 CG2 THR A 57 2.499 8.714 7.993 1.00 0.00 C ATOM 0 H THR A 57 4.583 8.241 5.436 1.00 0.00 H new ATOM 0 HA THR A 57 2.312 6.562 6.290 1.00 0.00 H new ATOM 0 HB THR A 57 0.990 8.625 6.486 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.827 9.694 4.987 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.069 9.587 8.484 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.145 7.809 8.486 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.586 8.761 8.057 1.00 0.00 H new ATOM 847 N PHE A 58 1.264 6.603 4.031 1.00 0.00 N ATOM 848 CA PHE A 58 0.736 6.512 2.675 1.00 0.00 C ATOM 849 C PHE A 58 -0.790 6.493 2.686 1.00 0.00 C ATOM 850 O PHE A 58 -1.413 6.303 3.731 1.00 0.00 O ATOM 851 CB PHE A 58 1.267 5.256 1.981 1.00 0.00 C ATOM 852 CG PHE A 58 0.892 3.981 2.679 1.00 0.00 C ATOM 853 CD1 PHE A 58 1.532 3.601 3.848 1.00 0.00 C ATOM 854 CD2 PHE A 58 -0.101 3.161 2.167 1.00 0.00 C ATOM 855 CE1 PHE A 58 1.189 2.428 4.494 1.00 0.00 C ATOM 856 CE2 PHE A 58 -0.449 1.987 2.809 1.00 0.00 C ATOM 857 CZ PHE A 58 0.197 1.620 3.972 1.00 0.00 C ATOM 0 H PHE A 58 0.851 5.943 4.690 1.00 0.00 H new ATOM 0 HA PHE A 58 1.068 7.392 2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.887 5.227 0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.353 5.319 1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.308 4.229 4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.609 3.442 1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.695 2.144 5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.226 1.358 2.401 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.072 0.702 4.474 1.00 0.00 H new ATOM 867 N LYS A 59 -1.387 6.692 1.516 1.00 0.00 N ATOM 868 CA LYS A 59 -2.839 6.698 1.388 1.00 0.00 C ATOM 869 C LYS A 59 -3.366 5.295 1.106 1.00 0.00 C ATOM 870 O LYS A 59 -2.596 4.377 0.822 1.00 0.00 O ATOM 871 CB LYS A 59 -3.270 7.650 0.270 1.00 0.00 C ATOM 872 CG LYS A 59 -2.976 9.111 0.568 1.00 0.00 C ATOM 873 CD LYS A 59 -4.111 9.762 1.340 1.00 0.00 C ATOM 874 CE LYS A 59 -3.826 11.230 1.617 1.00 0.00 C ATOM 875 NZ LYS A 59 -2.833 11.406 2.713 1.00 0.00 N ATOM 0 H LYS A 59 -0.887 6.851 0.642 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.260 7.043 2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.763 7.367 -0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.339 7.531 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.053 9.187 1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.815 9.649 -0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.037 9.671 0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.261 9.235 2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.453 11.705 0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.754 11.736 1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.603 12.415 2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.234 11.051 3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.968 10.875 2.487 1.00 0.00 H new ATOM 889 N PHE A 60 -4.683 5.135 1.184 1.00 0.00 N ATOM 890 CA PHE A 60 -5.313 3.844 0.937 1.00 0.00 C ATOM 891 C PHE A 60 -6.109 3.867 -0.365 1.00 0.00 C ATOM 892 O PHE A 60 -6.208 2.858 -1.063 1.00 0.00 O ATOM 893 CB PHE A 60 -6.231 3.468 2.102 1.00 0.00 C ATOM 894 CG PHE A 60 -6.955 4.642 2.697 1.00 0.00 C ATOM 895 CD1 PHE A 60 -8.142 5.093 2.143 1.00 0.00 C ATOM 896 CD2 PHE A 60 -6.449 5.293 3.810 1.00 0.00 C ATOM 897 CE1 PHE A 60 -8.812 6.172 2.688 1.00 0.00 C ATOM 898 CE2 PHE A 60 -7.115 6.373 4.360 1.00 0.00 C ATOM 899 CZ PHE A 60 -8.297 6.814 3.797 1.00 0.00 C ATOM 0 H PHE A 60 -5.335 5.884 1.417 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.526 3.096 0.848 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.962 2.737 1.757 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.639 2.984 2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.549 4.596 1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.524 4.954 4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -9.737 6.513 2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.711 6.871 5.229 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.817 7.659 4.223 1.00 0.00 H new ATOM 909 N ILE A 61 -6.676 5.026 -0.684 1.00 0.00 N ATOM 910 CA ILE A 61 -7.463 5.182 -1.901 1.00 0.00 C ATOM 911 C ILE A 61 -6.614 4.925 -3.141 1.00 0.00 C ATOM 912 O ILE A 61 -7.135 4.589 -4.204 1.00 0.00 O ATOM 913 CB ILE A 61 -8.078 6.590 -1.997 1.00 0.00 C ATOM 914 CG1 ILE A 61 -6.986 7.656 -1.896 1.00 0.00 C ATOM 915 CG2 ILE A 61 -9.121 6.788 -0.906 1.00 0.00 C ATOM 916 CD1 ILE A 61 -7.477 9.056 -2.192 1.00 0.00 C ATOM 0 H ILE A 61 -6.605 5.871 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.266 4.446 -1.854 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.569 6.690 -2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.560 7.634 -0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.182 7.408 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.547 7.788 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.912 6.047 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.652 6.671 0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.649 9.759 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.877 9.095 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.260 9.324 -1.483 1.00 0.00 H new ATOM 928 N TYR A 62 -5.303 5.083 -2.997 1.00 0.00 N ATOM 929 CA TYR A 62 -4.381 4.869 -4.105 1.00 0.00 C ATOM 930 C TYR A 62 -3.948 3.408 -4.179 1.00 0.00 C ATOM 931 O TYR A 62 -3.494 2.934 -5.221 1.00 0.00 O ATOM 932 CB TYR A 62 -3.153 5.769 -3.956 1.00 0.00 C ATOM 933 CG TYR A 62 -3.395 7.198 -4.386 1.00 0.00 C ATOM 934 CD1 TYR A 62 -3.847 7.493 -5.666 1.00 0.00 C ATOM 935 CD2 TYR A 62 -3.172 8.255 -3.511 1.00 0.00 C ATOM 936 CE1 TYR A 62 -4.068 8.797 -6.063 1.00 0.00 C ATOM 937 CE2 TYR A 62 -3.392 9.562 -3.899 1.00 0.00 C ATOM 938 CZ TYR A 62 -3.840 9.828 -5.176 1.00 0.00 C ATOM 939 OH TYR A 62 -4.060 11.129 -5.567 1.00 0.00 O ATOM 0 H TYR A 62 -4.855 5.359 -2.123 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.899 5.123 -5.029 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.831 5.761 -2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.335 5.354 -4.545 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.029 6.688 -6.363 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.821 8.050 -2.510 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.418 9.008 -7.063 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.214 10.371 -3.206 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.853 11.733 -4.824 1.00 0.00 H new ATOM 949 N VAL A 63 -4.092 2.697 -3.065 1.00 0.00 N ATOM 950 CA VAL A 63 -3.718 1.290 -3.002 1.00 0.00 C ATOM 951 C VAL A 63 -4.936 0.408 -2.752 1.00 0.00 C ATOM 952 O VAL A 63 -6.047 0.905 -2.563 1.00 0.00 O ATOM 953 CB VAL A 63 -2.678 1.034 -1.895 1.00 0.00 C ATOM 954 CG1 VAL A 63 -1.533 2.030 -1.998 1.00 0.00 C ATOM 955 CG2 VAL A 63 -3.332 1.102 -0.523 1.00 0.00 C ATOM 0 H VAL A 63 -4.465 3.073 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.280 1.036 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.270 0.032 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.808 1.834 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.048 1.928 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.921 3.043 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.582 0.919 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.769 2.090 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.114 0.346 -0.455 1.00 0.00 H new ATOM 965 N ASP A 64 -4.721 -0.903 -2.752 1.00 0.00 N ATOM 966 CA ASP A 64 -5.802 -1.855 -2.523 1.00 0.00 C ATOM 967 C ASP A 64 -5.378 -2.929 -1.527 1.00 0.00 C ATOM 968 O ASP A 64 -4.395 -3.639 -1.743 1.00 0.00 O ATOM 969 CB ASP A 64 -6.226 -2.504 -3.842 1.00 0.00 C ATOM 970 CG ASP A 64 -7.269 -1.687 -4.580 1.00 0.00 C ATOM 971 OD1 ASP A 64 -7.218 -0.443 -4.493 1.00 0.00 O ATOM 972 OD2 ASP A 64 -8.136 -2.293 -5.244 1.00 0.00 O ATOM 0 H ASP A 64 -3.808 -1.331 -2.908 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.649 -1.312 -2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.351 -2.631 -4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.623 -3.500 -3.643 1.00 0.00 H new ATOM 977 N VAL A 65 -6.125 -3.043 -0.433 1.00 0.00 N ATOM 978 CA VAL A 65 -5.827 -4.031 0.597 1.00 0.00 C ATOM 979 C VAL A 65 -5.951 -5.449 0.051 1.00 0.00 C ATOM 980 O VAL A 65 -6.964 -5.808 -0.551 1.00 0.00 O ATOM 981 CB VAL A 65 -6.763 -3.876 1.810 1.00 0.00 C ATOM 982 CG1 VAL A 65 -6.502 -4.974 2.830 1.00 0.00 C ATOM 983 CG2 VAL A 65 -6.596 -2.501 2.440 1.00 0.00 C ATOM 0 H VAL A 65 -6.941 -2.463 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.799 -3.856 0.915 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.793 -3.970 1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.173 -4.848 3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.677 -5.947 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.469 -4.915 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.265 -2.409 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.565 -2.375 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.838 -1.733 1.706 1.00 0.00 H new ATOM 993 N LEU A 66 -4.915 -6.252 0.266 1.00 0.00 N ATOM 994 CA LEU A 66 -4.907 -7.633 -0.204 1.00 0.00 C ATOM 995 C LEU A 66 -5.400 -8.581 0.884 1.00 0.00 C ATOM 996 O LEU A 66 -5.225 -8.321 2.075 1.00 0.00 O ATOM 997 CB LEU A 66 -3.499 -8.034 -0.646 1.00 0.00 C ATOM 998 CG LEU A 66 -2.868 -7.173 -1.741 1.00 0.00 C ATOM 999 CD1 LEU A 66 -1.355 -7.319 -1.731 1.00 0.00 C ATOM 1000 CD2 LEU A 66 -3.433 -7.546 -3.104 1.00 0.00 C ATOM 0 H LEU A 66 -4.070 -5.971 0.763 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.583 -7.705 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.846 -8.012 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.530 -9.066 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.112 -6.130 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.924 -6.699 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.965 -7.001 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.089 -8.362 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.973 -6.923 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.220 -8.595 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.511 -7.387 -3.107 1.00 0.00 H new