USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 213 LYS NZ :NH3+ 161:sc= -0.0199 (180deg=-0.161) USER MOD Single : A 223 THR OG1 : rot 180:sc= 0.00525 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 THR OG1 : rot -26:sc= -2.57! USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 CYS SG : rot 180:sc= -4.5! USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= 0.633 K(o=0.63,f=-9.7!) USER MOD Single : A 260 THR OG1 : rot 180:sc= 0 USER MOD Single : A 262 TYR OH : rot -15:sc= -0.9 USER MOD Single : A 264 GLN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 265 CYS SG : rot -129:sc= -3.75 USER MOD Single : A 266 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.32) USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 269 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 276 HIS :FLIP no HD1:sc= -4.52! C(o=-5.3!,f=-4.5!) USER MOD Single : A 277 LYS NZ :NH3+ 167:sc=8.83e-05 (180deg=-0.117) USER MOD Single : A 279 THR OG1 : rot 180:sc=-0.00296 USER MOD Single : A 280 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0055) USER MOD Single : B 451 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 210 8.827 10.524 4.149 1.00 0.00 N ATOM 2 CA ARG A 210 9.606 9.319 3.884 1.00 0.00 C ATOM 3 C ARG A 210 9.710 9.062 2.382 1.00 0.00 C ATOM 4 O ARG A 210 8.982 9.656 1.589 1.00 0.00 O ATOM 5 CB ARG A 210 8.974 8.112 4.581 1.00 0.00 C ATOM 6 CG ARG A 210 9.849 7.511 5.668 1.00 0.00 C ATOM 7 CD ARG A 210 9.376 7.913 7.055 1.00 0.00 C ATOM 8 NE ARG A 210 10.492 8.144 7.970 1.00 0.00 N ATOM 9 CZ ARG A 210 11.166 7.169 8.576 1.00 0.00 C ATOM 10 NH1 ARG A 210 10.843 5.900 8.368 1.00 0.00 N ATOM 11 NH2 ARG A 210 12.168 7.466 9.393 1.00 0.00 N ATOM 0 HA ARG A 210 10.610 9.469 4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 210 8.022 8.413 5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 210 8.756 7.346 3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 210 9.842 6.424 5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 210 10.880 7.836 5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 210 8.773 8.818 6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 210 8.732 7.132 7.459 1.00 0.00 H new ATOM 0 HE ARG A 210 10.770 9.108 8.155 1.00 0.00 H new ATOM 0 HH11 ARG A 210 10.074 5.666 7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 210 11.364 5.158 8.836 1.00 0.00 H new ATOM 0 HH21 ARG A 210 12.421 8.440 9.556 1.00 0.00 H new ATOM 0 HH22 ARG A 210 12.685 6.720 9.858 1.00 0.00 H new ATOM 24 N GLU A 211 10.621 8.172 2.001 1.00 0.00 N ATOM 25 CA GLU A 211 10.820 7.835 0.597 1.00 0.00 C ATOM 26 C GLU A 211 10.418 6.389 0.322 1.00 0.00 C ATOM 27 O GLU A 211 11.269 5.504 0.223 1.00 0.00 O ATOM 28 CB GLU A 211 12.282 8.060 0.200 1.00 0.00 C ATOM 29 CG GLU A 211 12.482 9.245 -0.731 1.00 0.00 C ATOM 30 CD GLU A 211 13.634 10.135 -0.305 1.00 0.00 C ATOM 31 OE1 GLU A 211 13.662 10.546 0.875 1.00 0.00 O ATOM 32 OE2 GLU A 211 14.509 10.419 -1.149 1.00 0.00 O ATOM 0 H GLU A 211 11.233 7.671 2.646 1.00 0.00 H new ATOM 0 HA GLU A 211 10.185 8.487 -0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 211 12.876 8.212 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 211 12.662 7.160 -0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 211 12.664 8.881 -1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 211 11.566 9.834 -0.764 1.00 0.00 H new ATOM 39 N LEU A 212 9.115 6.155 0.203 1.00 0.00 N ATOM 40 CA LEU A 212 8.599 4.816 -0.059 1.00 0.00 C ATOM 41 C LEU A 212 8.026 4.720 -1.469 1.00 0.00 C ATOM 42 O LEU A 212 7.482 5.692 -1.997 1.00 0.00 O ATOM 43 CB LEU A 212 7.523 4.452 0.966 1.00 0.00 C ATOM 44 CG LEU A 212 8.037 4.199 2.384 1.00 0.00 C ATOM 45 CD1 LEU A 212 6.884 3.853 3.314 1.00 0.00 C ATOM 46 CD2 LEU A 212 9.076 3.087 2.384 1.00 0.00 C ATOM 0 H LEU A 212 8.397 6.875 0.284 1.00 0.00 H new ATOM 0 HA LEU A 212 9.427 4.112 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 212 6.789 5.257 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 212 7.001 3.559 0.621 1.00 0.00 H new ATOM 0 HG LEU A 212 8.510 5.111 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 212 7.268 3.676 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 212 6.174 4.680 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 212 6.383 2.955 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 212 9.431 2.920 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 212 8.628 2.170 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 212 9.915 3.373 1.749 1.00 0.00 H new ATOM 58 N LYS A 213 8.147 3.543 -2.072 1.00 0.00 N ATOM 59 CA LYS A 213 7.640 3.317 -3.420 1.00 0.00 C ATOM 60 C LYS A 213 6.812 2.038 -3.479 1.00 0.00 C ATOM 61 O LYS A 213 7.092 1.073 -2.767 1.00 0.00 O ATOM 62 CB LYS A 213 8.797 3.238 -4.418 1.00 0.00 C ATOM 63 CG LYS A 213 9.768 4.403 -4.317 1.00 0.00 C ATOM 64 CD LYS A 213 11.036 4.012 -3.574 1.00 0.00 C ATOM 65 CE LYS A 213 12.170 3.696 -4.533 1.00 0.00 C ATOM 66 NZ LYS A 213 12.682 4.920 -5.211 1.00 0.00 N ATOM 0 H LYS A 213 8.593 2.729 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 213 6.999 4.157 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 213 9.341 2.307 -4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 213 8.392 3.200 -5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 213 10.025 4.751 -5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 213 9.287 5.235 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 213 11.335 4.824 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 213 10.837 3.144 -2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 213 12.983 3.216 -3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 213 11.824 2.984 -5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 213 13.630 4.733 -5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 213 12.040 5.182 -5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 213 12.733 5.701 -4.526 1.00 0.00 H new ATOM 80 N ILE A 214 5.793 2.035 -4.331 1.00 0.00 N ATOM 81 CA ILE A 214 4.926 0.873 -4.480 1.00 0.00 C ATOM 82 C ILE A 214 5.722 -0.353 -4.915 1.00 0.00 C ATOM 83 O ILE A 214 6.621 -0.257 -5.752 1.00 0.00 O ATOM 84 CB ILE A 214 3.801 1.135 -5.501 1.00 0.00 C ATOM 85 CG1 ILE A 214 3.070 2.439 -5.169 1.00 0.00 C ATOM 86 CG2 ILE A 214 2.825 -0.033 -5.528 1.00 0.00 C ATOM 87 CD1 ILE A 214 2.562 2.504 -3.745 1.00 0.00 C ATOM 0 H ILE A 214 5.547 2.824 -4.929 1.00 0.00 H new ATOM 0 HA ILE A 214 4.479 0.684 -3.504 1.00 0.00 H new ATOM 0 HB ILE A 214 4.248 1.233 -6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 214 3.744 3.278 -5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 214 2.229 2.558 -5.852 1.00 0.00 H new ATOM 0 HG21 ILE A 214 2.037 0.168 -6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 214 3.354 -0.943 -5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 214 2.384 -0.161 -4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 214 2.055 3.455 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 214 1.863 1.686 -3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 214 3.401 2.417 -3.055 1.00 0.00 H new ATOM 99 N GLY A 215 5.389 -1.503 -4.340 1.00 0.00 N ATOM 100 CA GLY A 215 6.084 -2.730 -4.678 1.00 0.00 C ATOM 101 C GLY A 215 7.293 -2.984 -3.794 1.00 0.00 C ATOM 102 O GLY A 215 7.959 -4.011 -3.925 1.00 0.00 O ATOM 0 H GLY A 215 4.649 -1.607 -3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 215 5.394 -3.569 -4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 215 6.404 -2.686 -5.719 1.00 0.00 H new ATOM 106 N ASP A 216 7.580 -2.047 -2.892 1.00 0.00 N ATOM 107 CA ASP A 216 8.717 -2.180 -1.991 1.00 0.00 C ATOM 108 C ASP A 216 8.297 -2.795 -0.661 1.00 0.00 C ATOM 109 O ASP A 216 7.193 -2.549 -0.173 1.00 0.00 O ATOM 110 CB ASP A 216 9.368 -0.815 -1.751 1.00 0.00 C ATOM 111 CG ASP A 216 10.079 -0.287 -2.982 1.00 0.00 C ATOM 112 OD1 ASP A 216 10.217 -1.048 -3.963 1.00 0.00 O ATOM 113 OD2 ASP A 216 10.500 0.889 -2.964 1.00 0.00 O ATOM 0 H ASP A 216 7.041 -1.190 -2.768 1.00 0.00 H new ATOM 0 HA ASP A 216 9.441 -2.845 -2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.604 -0.101 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 216 10.080 -0.895 -0.930 1.00 0.00 H new ATOM 118 N ARG A 217 9.186 -3.590 -0.076 1.00 0.00 N ATOM 119 CA ARG A 217 8.912 -4.235 1.201 1.00 0.00 C ATOM 120 C ARG A 217 9.053 -3.238 2.343 1.00 0.00 C ATOM 121 O ARG A 217 10.025 -2.483 2.404 1.00 0.00 O ATOM 122 CB ARG A 217 9.860 -5.418 1.415 1.00 0.00 C ATOM 123 CG ARG A 217 9.258 -6.539 2.246 1.00 0.00 C ATOM 124 CD ARG A 217 8.542 -7.559 1.373 1.00 0.00 C ATOM 125 NE ARG A 217 9.381 -8.023 0.272 1.00 0.00 N ATOM 126 CZ ARG A 217 10.339 -8.940 0.404 1.00 0.00 C ATOM 127 NH1 ARG A 217 10.581 -9.491 1.586 1.00 0.00 N ATOM 128 NH2 ARG A 217 11.054 -9.306 -0.651 1.00 0.00 N ATOM 0 H ARG A 217 10.104 -3.803 -0.467 1.00 0.00 H new ATOM 0 HA ARG A 217 7.887 -4.605 1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 217 10.156 -5.816 0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 217 10.767 -5.062 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 217 10.045 -7.034 2.815 1.00 0.00 H new ATOM 0 HG3 ARG A 217 8.557 -6.121 2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 217 8.241 -8.411 1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 217 7.630 -7.116 0.972 1.00 0.00 H new ATOM 0 HE ARG A 217 9.225 -7.622 -0.653 1.00 0.00 H new ATOM 0 HH11 ARG A 217 10.033 -9.213 2.400 1.00 0.00 H new ATOM 0 HH12 ARG A 217 11.315 -10.192 1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 217 10.870 -8.886 -1.562 1.00 0.00 H new ATOM 0 HH22 ARG A 217 11.788 -10.008 -0.551 1.00 0.00 H new ATOM 142 N VAL A 218 8.075 -3.229 3.239 1.00 0.00 N ATOM 143 CA VAL A 218 8.090 -2.313 4.370 1.00 0.00 C ATOM 144 C VAL A 218 7.341 -2.887 5.566 1.00 0.00 C ATOM 145 O VAL A 218 6.863 -4.021 5.530 1.00 0.00 O ATOM 146 CB VAL A 218 7.453 -0.960 3.994 1.00 0.00 C ATOM 147 CG1 VAL A 218 8.076 -0.410 2.720 1.00 0.00 C ATOM 148 CG2 VAL A 218 5.943 -1.102 3.838 1.00 0.00 C ATOM 0 H VAL A 218 7.263 -3.845 3.204 1.00 0.00 H new ATOM 0 HA VAL A 218 9.136 -2.166 4.640 1.00 0.00 H new ATOM 0 HB VAL A 218 7.647 -0.254 4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 218 7.613 0.545 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 218 9.146 -0.266 2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 218 7.916 -1.114 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 218 5.512 -0.137 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 218 5.725 -1.825 3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 218 5.511 -1.446 4.778 1.00 0.00 H new ATOM 158 N LEU A 219 7.227 -2.081 6.614 1.00 0.00 N ATOM 159 CA LEU A 219 6.516 -2.486 7.817 1.00 0.00 C ATOM 160 C LEU A 219 5.422 -1.483 8.144 1.00 0.00 C ATOM 161 O LEU A 219 5.694 -0.302 8.349 1.00 0.00 O ATOM 162 CB LEU A 219 7.474 -2.595 9.004 1.00 0.00 C ATOM 163 CG LEU A 219 8.593 -3.626 8.858 1.00 0.00 C ATOM 164 CD1 LEU A 219 9.331 -3.793 10.178 1.00 0.00 C ATOM 165 CD2 LEU A 219 8.035 -4.960 8.382 1.00 0.00 C ATOM 0 H LEU A 219 7.620 -1.140 6.654 1.00 0.00 H new ATOM 0 HA LEU A 219 6.070 -3.463 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 219 7.925 -1.618 9.175 1.00 0.00 H new ATOM 0 HB3 LEU A 219 6.894 -2.838 9.894 1.00 0.00 H new ATOM 0 HG LEU A 219 9.299 -3.267 8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 219 10.125 -4.530 10.060 1.00 0.00 H new ATOM 0 HD12 LEU A 219 9.764 -2.838 10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 219 8.634 -4.131 10.945 1.00 0.00 H new ATOM 0 HD21 LEU A 219 8.847 -5.680 8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 219 7.308 -5.329 9.105 1.00 0.00 H new ATOM 0 HD23 LEU A 219 7.550 -4.827 7.415 1.00 0.00 H new ATOM 177 N VAL A 220 4.187 -1.955 8.203 1.00 0.00 N ATOM 178 CA VAL A 220 3.062 -1.085 8.519 1.00 0.00 C ATOM 179 C VAL A 220 2.861 -1.009 10.027 1.00 0.00 C ATOM 180 O VAL A 220 2.478 -1.993 10.665 1.00 0.00 O ATOM 181 CB VAL A 220 1.745 -1.546 7.840 1.00 0.00 C ATOM 182 CG1 VAL A 220 1.162 -0.426 6.994 1.00 0.00 C ATOM 183 CG2 VAL A 220 1.964 -2.795 6.997 1.00 0.00 C ATOM 0 H VAL A 220 3.937 -2.930 8.037 1.00 0.00 H new ATOM 0 HA VAL A 220 3.306 -0.098 8.127 1.00 0.00 H new ATOM 0 HB VAL A 220 1.033 -1.796 8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 220 0.239 -0.767 6.525 1.00 0.00 H new ATOM 0 HG12 VAL A 220 0.951 0.436 7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 220 1.878 -0.143 6.222 1.00 0.00 H new ATOM 0 HG21 VAL A 220 1.022 -3.092 6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 220 2.699 -2.585 6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 220 2.328 -3.603 7.632 1.00 0.00 H new ATOM 193 N GLY A 221 3.141 0.160 10.594 1.00 0.00 N ATOM 194 CA GLY A 221 3.003 0.346 12.026 1.00 0.00 C ATOM 195 C GLY A 221 4.257 -0.050 12.788 1.00 0.00 C ATOM 196 O GLY A 221 4.344 0.158 13.998 1.00 0.00 O ATOM 0 H GLY A 221 3.462 0.984 10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 221 2.771 1.391 12.233 1.00 0.00 H new ATOM 0 HA3 GLY A 221 2.161 -0.245 12.386 1.00 0.00 H new ATOM 200 N GLY A 222 5.231 -0.622 12.080 1.00 0.00 N ATOM 201 CA GLY A 222 6.470 -1.037 12.717 1.00 0.00 C ATOM 202 C GLY A 222 6.421 -2.466 13.214 1.00 0.00 C ATOM 203 O GLY A 222 7.455 -3.127 13.331 1.00 0.00 O ATOM 0 H GLY A 222 5.183 -0.805 11.078 1.00 0.00 H new ATOM 0 HA2 GLY A 222 7.291 -0.931 12.008 1.00 0.00 H new ATOM 0 HA3 GLY A 222 6.684 -0.373 13.554 1.00 0.00 H new ATOM 207 N THR A 223 5.220 -2.947 13.511 1.00 0.00 N ATOM 208 CA THR A 223 5.039 -4.307 13.999 1.00 0.00 C ATOM 209 C THR A 223 4.574 -5.231 12.880 1.00 0.00 C ATOM 210 O THR A 223 4.823 -6.436 12.911 1.00 0.00 O ATOM 211 CB THR A 223 4.025 -4.321 15.141 1.00 0.00 C ATOM 212 OG1 THR A 223 2.852 -3.615 14.778 1.00 0.00 O ATOM 213 CG2 THR A 223 4.557 -3.703 16.415 1.00 0.00 C ATOM 0 H THR A 223 4.355 -2.413 13.422 1.00 0.00 H new ATOM 0 HA THR A 223 6.000 -4.669 14.365 1.00 0.00 H new ATOM 0 HB THR A 223 3.810 -5.373 15.327 1.00 0.00 H new ATOM 0 HG1 THR A 223 2.214 -3.637 15.522 1.00 0.00 H new ATOM 0 HG21 THR A 223 3.789 -3.744 17.187 1.00 0.00 H new ATOM 0 HG22 THR A 223 5.436 -4.255 16.748 1.00 0.00 H new ATOM 0 HG23 THR A 223 4.830 -2.664 16.229 1.00 0.00 H new ATOM 221 N LYS A 224 3.895 -4.656 11.893 1.00 0.00 N ATOM 222 CA LYS A 224 3.392 -5.426 10.763 1.00 0.00 C ATOM 223 C LYS A 224 4.315 -5.276 9.558 1.00 0.00 C ATOM 224 O LYS A 224 4.933 -4.230 9.367 1.00 0.00 O ATOM 225 CB LYS A 224 1.976 -4.968 10.395 1.00 0.00 C ATOM 226 CG LYS A 224 1.133 -4.540 11.590 1.00 0.00 C ATOM 227 CD LYS A 224 0.458 -5.727 12.256 1.00 0.00 C ATOM 228 CE LYS A 224 1.475 -6.696 12.836 1.00 0.00 C ATOM 229 NZ LYS A 224 0.901 -7.506 13.946 1.00 0.00 N ATOM 0 H LYS A 224 3.681 -3.660 11.853 1.00 0.00 H new ATOM 0 HA LYS A 224 3.362 -6.477 11.052 1.00 0.00 H new ATOM 0 HB2 LYS A 224 2.045 -4.135 9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 224 1.466 -5.779 9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 224 1.764 -4.026 12.315 1.00 0.00 H new ATOM 0 HG3 LYS A 224 0.376 -3.827 11.264 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -0.202 -5.374 13.048 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -0.167 -6.246 11.529 1.00 0.00 H new ATOM 0 HE2 LYS A 224 1.833 -7.360 12.049 1.00 0.00 H new ATOM 0 HE3 LYS A 224 2.339 -6.140 13.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 1.626 -8.154 14.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 0.582 -6.874 14.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 0.093 -8.056 13.592 1.00 0.00 H new ATOM 243 N ALA A 225 4.410 -6.327 8.750 1.00 0.00 N ATOM 244 CA ALA A 225 5.262 -6.303 7.566 1.00 0.00 C ATOM 245 C ALA A 225 4.453 -6.547 6.302 1.00 0.00 C ATOM 246 O ALA A 225 3.515 -7.343 6.299 1.00 0.00 O ATOM 247 CB ALA A 225 6.368 -7.339 7.684 1.00 0.00 C ATOM 0 H ALA A 225 3.909 -7.204 8.893 1.00 0.00 H new ATOM 0 HA ALA A 225 5.711 -5.312 7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 225 6.993 -7.307 6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 225 6.977 -7.123 8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 225 5.928 -8.331 7.783 1.00 0.00 H new ATOM 253 N GLY A 226 4.822 -5.860 5.227 1.00 0.00 N ATOM 254 CA GLY A 226 4.117 -6.020 3.972 1.00 0.00 C ATOM 255 C GLY A 226 4.775 -5.272 2.830 1.00 0.00 C ATOM 256 O GLY A 226 5.909 -4.808 2.949 1.00 0.00 O ATOM 0 H GLY A 226 5.596 -5.196 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 226 4.063 -7.080 3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 226 3.092 -5.668 4.089 1.00 0.00 H new ATOM 260 N VAL A 227 4.056 -5.155 1.716 1.00 0.00 N ATOM 261 CA VAL A 227 4.567 -4.459 0.541 1.00 0.00 C ATOM 262 C VAL A 227 3.686 -3.266 0.185 1.00 0.00 C ATOM 263 O VAL A 227 2.463 -3.379 0.130 1.00 0.00 O ATOM 264 CB VAL A 227 4.655 -5.408 -0.674 1.00 0.00 C ATOM 265 CG1 VAL A 227 4.986 -4.638 -1.945 1.00 0.00 C ATOM 266 CG2 VAL A 227 5.684 -6.501 -0.423 1.00 0.00 C ATOM 0 H VAL A 227 3.116 -5.535 1.604 1.00 0.00 H new ATOM 0 HA VAL A 227 5.567 -4.103 0.787 1.00 0.00 H new ATOM 0 HB VAL A 227 3.680 -5.877 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 227 5.042 -5.330 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 227 4.208 -3.898 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 227 5.945 -4.134 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 227 5.733 -7.161 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 227 6.662 -6.049 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.396 -7.077 0.456 1.00 0.00 H new ATOM 276 N VAL A 228 4.317 -2.127 -0.070 1.00 0.00 N ATOM 277 CA VAL A 228 3.591 -0.918 -0.434 1.00 0.00 C ATOM 278 C VAL A 228 2.795 -1.136 -1.717 1.00 0.00 C ATOM 279 O VAL A 228 3.351 -1.528 -2.742 1.00 0.00 O ATOM 280 CB VAL A 228 4.549 0.272 -0.620 1.00 0.00 C ATOM 281 CG1 VAL A 228 3.773 1.557 -0.859 1.00 0.00 C ATOM 282 CG2 VAL A 228 5.463 0.406 0.588 1.00 0.00 C ATOM 0 H VAL A 228 5.330 -2.015 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 228 2.905 -0.689 0.381 1.00 0.00 H new ATOM 0 HB VAL A 228 5.166 0.086 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 228 4.470 2.385 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 228 3.164 1.453 -1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 228 3.127 1.756 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 228 6.136 1.252 0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 228 4.862 0.569 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 228 6.047 -0.507 0.705 1.00 0.00 H new ATOM 292 N ARG A 229 1.491 -0.894 -1.650 1.00 0.00 N ATOM 293 CA ARG A 229 0.621 -1.083 -2.806 1.00 0.00 C ATOM 294 C ARG A 229 0.029 0.240 -3.289 1.00 0.00 C ATOM 295 O ARG A 229 -0.360 0.365 -4.450 1.00 0.00 O ATOM 296 CB ARG A 229 -0.498 -2.066 -2.458 1.00 0.00 C ATOM 297 CG ARG A 229 0.009 -3.413 -1.969 1.00 0.00 C ATOM 298 CD ARG A 229 0.994 -4.029 -2.951 1.00 0.00 C ATOM 299 NE ARG A 229 0.776 -5.463 -3.118 1.00 0.00 N ATOM 300 CZ ARG A 229 1.228 -6.167 -4.154 1.00 0.00 C ATOM 301 NH1 ARG A 229 1.923 -5.574 -5.116 1.00 0.00 N ATOM 302 NH2 ARG A 229 0.983 -7.467 -4.227 1.00 0.00 N ATOM 0 H ARG A 229 1.013 -0.567 -0.810 1.00 0.00 H new ATOM 0 HA ARG A 229 1.224 -1.490 -3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 229 -1.133 -1.625 -1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 229 -1.123 -2.219 -3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 229 0.490 -3.291 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 229 -0.834 -4.089 -1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 229 0.901 -3.533 -3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 229 2.012 -3.855 -2.601 1.00 0.00 H new ATOM 0 HE ARG A 229 0.246 -5.955 -2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 229 2.114 -4.573 -5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 229 2.267 -6.119 -5.907 1.00 0.00 H new ATOM 0 HH21 ARG A 229 0.449 -7.927 -3.490 1.00 0.00 H new ATOM 0 HH22 ARG A 229 1.329 -8.007 -5.020 1.00 0.00 H new ATOM 316 N PHE A 230 -0.041 1.225 -2.399 1.00 0.00 N ATOM 317 CA PHE A 230 -0.588 2.530 -2.749 1.00 0.00 C ATOM 318 C PHE A 230 -0.289 3.556 -1.662 1.00 0.00 C ATOM 319 O PHE A 230 -0.155 3.208 -0.494 1.00 0.00 O ATOM 320 CB PHE A 230 -2.099 2.431 -2.969 1.00 0.00 C ATOM 321 CG PHE A 230 -2.662 3.565 -3.778 1.00 0.00 C ATOM 322 CD1 PHE A 230 -2.307 3.729 -5.107 1.00 0.00 C ATOM 323 CD2 PHE A 230 -3.545 4.468 -3.207 1.00 0.00 C ATOM 324 CE1 PHE A 230 -2.824 4.771 -5.852 1.00 0.00 C ATOM 325 CE2 PHE A 230 -4.064 5.513 -3.949 1.00 0.00 C ATOM 326 CZ PHE A 230 -3.702 5.665 -5.273 1.00 0.00 C ATOM 0 H PHE A 230 0.274 1.144 -1.432 1.00 0.00 H new ATOM 0 HA PHE A 230 -0.113 2.858 -3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -2.324 1.490 -3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -2.598 2.403 -2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -1.619 3.035 -5.566 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -3.831 4.354 -2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -2.541 4.886 -6.888 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -4.752 6.210 -3.493 1.00 0.00 H new ATOM 0 HZ PHE A 230 -4.105 6.481 -5.854 1.00 0.00 H new ATOM 336 N LEU A 231 -0.186 4.822 -2.051 1.00 0.00 N ATOM 337 CA LEU A 231 0.094 5.889 -1.096 1.00 0.00 C ATOM 338 C LEU A 231 -0.826 7.083 -1.325 1.00 0.00 C ATOM 339 O LEU A 231 -0.879 7.635 -2.425 1.00 0.00 O ATOM 340 CB LEU A 231 1.557 6.324 -1.192 1.00 0.00 C ATOM 341 CG LEU A 231 2.574 5.179 -1.167 1.00 0.00 C ATOM 342 CD1 LEU A 231 3.410 5.177 -2.435 1.00 0.00 C ATOM 343 CD2 LEU A 231 3.468 5.283 0.061 1.00 0.00 C ATOM 0 H LEU A 231 -0.292 5.134 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 231 -0.092 5.501 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 231 1.693 6.891 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 231 1.774 7.001 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 231 2.027 4.238 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 231 4.126 4.356 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 231 2.759 5.051 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 231 3.946 6.122 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 231 4.184 4.461 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 231 4.005 6.231 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 231 2.856 5.231 0.962 1.00 0.00 H new ATOM 355 N GLY A 232 -1.550 7.477 -0.283 1.00 0.00 N ATOM 356 CA GLY A 232 -2.459 8.603 -0.391 1.00 0.00 C ATOM 357 C GLY A 232 -3.324 8.772 0.842 1.00 0.00 C ATOM 358 O GLY A 232 -3.189 8.026 1.811 1.00 0.00 O ATOM 0 H GLY A 232 -1.523 7.036 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 232 -1.885 9.515 -0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 232 -3.098 8.467 -1.263 1.00 0.00 H new ATOM 362 N GLU A 233 -4.216 9.759 0.805 1.00 0.00 N ATOM 363 CA GLU A 233 -5.106 10.025 1.929 1.00 0.00 C ATOM 364 C GLU A 233 -6.284 9.057 1.932 1.00 0.00 C ATOM 365 O GLU A 233 -6.619 8.467 0.905 1.00 0.00 O ATOM 366 CB GLU A 233 -5.615 11.466 1.872 1.00 0.00 C ATOM 367 CG GLU A 233 -4.513 12.497 1.691 1.00 0.00 C ATOM 368 CD GLU A 233 -4.914 13.623 0.759 1.00 0.00 C ATOM 369 OE1 GLU A 233 -5.646 14.531 1.205 1.00 0.00 O ATOM 370 OE2 GLU A 233 -4.497 13.597 -0.419 1.00 0.00 O ATOM 0 H GLU A 233 -4.341 10.386 0.010 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.540 9.882 2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -6.325 11.559 1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -6.159 11.686 2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -4.246 12.913 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -3.622 12.006 1.299 1.00 0.00 H new ATOM 377 N THR A 234 -6.908 8.898 3.095 1.00 0.00 N ATOM 378 CA THR A 234 -8.051 8.001 3.232 1.00 0.00 C ATOM 379 C THR A 234 -9.351 8.792 3.338 1.00 0.00 C ATOM 380 O THR A 234 -9.344 9.976 3.675 1.00 0.00 O ATOM 381 CB THR A 234 -7.880 7.110 4.463 1.00 0.00 C ATOM 382 OG1 THR A 234 -8.049 7.859 5.652 1.00 0.00 O ATOM 383 CG2 THR A 234 -6.528 6.436 4.532 1.00 0.00 C ATOM 0 H THR A 234 -6.642 9.378 3.955 1.00 0.00 H new ATOM 0 HA THR A 234 -8.100 7.373 2.342 1.00 0.00 H new ATOM 0 HB THR A 234 -8.646 6.340 4.370 1.00 0.00 H new ATOM 0 HG1 THR A 234 -7.831 8.799 5.480 1.00 0.00 H new ATOM 0 HG21 THR A 234 -6.474 5.819 5.429 1.00 0.00 H new ATOM 0 HG22 THR A 234 -6.389 5.808 3.652 1.00 0.00 H new ATOM 0 HG23 THR A 234 -5.745 7.194 4.565 1.00 0.00 H new ATOM 391 N ASP A 235 -10.465 8.129 3.047 1.00 0.00 N ATOM 392 CA ASP A 235 -11.775 8.771 3.109 1.00 0.00 C ATOM 393 C ASP A 235 -12.349 8.735 4.525 1.00 0.00 C ATOM 394 O ASP A 235 -13.447 9.234 4.767 1.00 0.00 O ATOM 395 CB ASP A 235 -12.741 8.091 2.139 1.00 0.00 C ATOM 396 CG ASP A 235 -13.894 8.995 1.744 1.00 0.00 C ATOM 397 OD1 ASP A 235 -13.683 9.890 0.899 1.00 0.00 O ATOM 398 OD2 ASP A 235 -15.006 8.806 2.280 1.00 0.00 O ATOM 0 H ASP A 235 -10.488 7.149 2.766 1.00 0.00 H new ATOM 0 HA ASP A 235 -11.648 9.815 2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 235 -12.199 7.786 1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 235 -13.134 7.184 2.598 1.00 0.00 H new ATOM 403 N PHE A 236 -11.606 8.143 5.459 1.00 0.00 N ATOM 404 CA PHE A 236 -12.058 8.052 6.844 1.00 0.00 C ATOM 405 C PHE A 236 -11.038 8.664 7.808 1.00 0.00 C ATOM 406 O PHE A 236 -11.362 8.959 8.958 1.00 0.00 O ATOM 407 CB PHE A 236 -12.327 6.590 7.223 1.00 0.00 C ATOM 408 CG PHE A 236 -11.092 5.809 7.585 1.00 0.00 C ATOM 409 CD1 PHE A 236 -10.071 5.629 6.664 1.00 0.00 C ATOM 410 CD2 PHE A 236 -10.952 5.259 8.849 1.00 0.00 C ATOM 411 CE1 PHE A 236 -8.936 4.915 6.998 1.00 0.00 C ATOM 412 CE2 PHE A 236 -9.820 4.544 9.189 1.00 0.00 C ATOM 413 CZ PHE A 236 -8.810 4.371 8.261 1.00 0.00 C ATOM 0 H PHE A 236 -10.694 7.722 5.282 1.00 0.00 H new ATOM 0 HA PHE A 236 -12.984 8.620 6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 236 -13.018 6.566 8.065 1.00 0.00 H new ATOM 0 HB3 PHE A 236 -12.824 6.096 6.388 1.00 0.00 H new ATOM 0 HD1 PHE A 236 -10.164 6.052 5.674 1.00 0.00 H new ATOM 0 HD2 PHE A 236 -11.738 5.391 9.578 1.00 0.00 H new ATOM 0 HE1 PHE A 236 -8.148 4.782 6.272 1.00 0.00 H new ATOM 0 HE2 PHE A 236 -9.724 4.121 10.178 1.00 0.00 H new ATOM 0 HZ PHE A 236 -7.924 3.812 8.523 1.00 0.00 H new ATOM 423 N ALA A 237 -9.807 8.850 7.337 1.00 0.00 N ATOM 424 CA ALA A 237 -8.753 9.423 8.165 1.00 0.00 C ATOM 425 C ALA A 237 -8.208 10.709 7.556 1.00 0.00 C ATOM 426 O ALA A 237 -8.038 10.809 6.341 1.00 0.00 O ATOM 427 CB ALA A 237 -7.632 8.413 8.363 1.00 0.00 C ATOM 0 H ALA A 237 -9.517 8.612 6.388 1.00 0.00 H new ATOM 0 HA ALA A 237 -9.183 9.670 9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 237 -6.851 8.853 8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 237 -8.026 7.523 8.854 1.00 0.00 H new ATOM 0 HB3 ALA A 237 -7.214 8.138 7.394 1.00 0.00 H new ATOM 433 N LYS A 238 -7.932 11.690 8.408 1.00 0.00 N ATOM 434 CA LYS A 238 -7.403 12.971 7.954 1.00 0.00 C ATOM 435 C LYS A 238 -5.881 12.926 7.855 1.00 0.00 C ATOM 436 O LYS A 238 -5.203 12.481 8.781 1.00 0.00 O ATOM 437 CB LYS A 238 -7.830 14.090 8.905 1.00 0.00 C ATOM 438 CG LYS A 238 -7.305 13.918 10.321 1.00 0.00 C ATOM 439 CD LYS A 238 -6.023 14.703 10.540 1.00 0.00 C ATOM 440 CE LYS A 238 -6.290 16.197 10.625 1.00 0.00 C ATOM 441 NZ LYS A 238 -5.162 16.995 10.071 1.00 0.00 N ATOM 0 H LYS A 238 -8.066 11.623 9.417 1.00 0.00 H new ATOM 0 HA LYS A 238 -7.809 13.172 6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -7.481 15.044 8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -8.919 14.136 8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -8.061 14.249 11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -7.123 12.861 10.517 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -5.541 14.366 11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -5.329 14.503 9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -7.204 16.434 10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -6.457 16.477 11.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -5.383 18.008 10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -4.295 16.788 10.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -5.019 16.746 9.071 1.00 0.00 H new ATOM 455 N GLY A 239 -5.352 13.390 6.727 1.00 0.00 N ATOM 456 CA GLY A 239 -3.914 13.394 6.531 1.00 0.00 C ATOM 457 C GLY A 239 -3.473 12.438 5.439 1.00 0.00 C ATOM 458 O GLY A 239 -4.298 11.937 4.673 1.00 0.00 O ATOM 0 H GLY A 239 -5.893 13.763 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 239 -3.588 14.403 6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -3.423 13.124 7.466 1.00 0.00 H new ATOM 462 N GLU A 240 -2.171 12.183 5.369 1.00 0.00 N ATOM 463 CA GLU A 240 -1.621 11.281 4.363 1.00 0.00 C ATOM 464 C GLU A 240 -1.466 9.870 4.924 1.00 0.00 C ATOM 465 O GLU A 240 -1.013 9.686 6.053 1.00 0.00 O ATOM 466 CB GLU A 240 -0.267 11.797 3.871 1.00 0.00 C ATOM 467 CG GLU A 240 0.684 12.179 4.993 1.00 0.00 C ATOM 468 CD GLU A 240 2.093 12.439 4.501 1.00 0.00 C ATOM 469 OE1 GLU A 240 2.692 11.521 3.903 1.00 0.00 O ATOM 470 OE2 GLU A 240 2.599 13.561 4.714 1.00 0.00 O ATOM 0 H GLU A 240 -1.477 12.588 5.997 1.00 0.00 H new ATOM 0 HA GLU A 240 -2.316 11.246 3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 240 0.202 11.030 3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 240 -0.429 12.665 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 240 0.308 13.071 5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 240 0.704 11.381 5.735 1.00 0.00 H new ATOM 477 N TRP A 241 -1.846 8.877 4.126 1.00 0.00 N ATOM 478 CA TRP A 241 -1.750 7.483 4.544 1.00 0.00 C ATOM 479 C TRP A 241 -1.115 6.629 3.450 1.00 0.00 C ATOM 480 O TRP A 241 -0.947 7.079 2.316 1.00 0.00 O ATOM 481 CB TRP A 241 -3.136 6.940 4.899 1.00 0.00 C ATOM 482 CG TRP A 241 -3.728 7.585 6.115 1.00 0.00 C ATOM 483 CD1 TRP A 241 -4.214 8.857 6.214 1.00 0.00 C ATOM 484 CD2 TRP A 241 -3.895 6.989 7.407 1.00 0.00 C ATOM 485 NE1 TRP A 241 -4.672 9.089 7.489 1.00 0.00 N ATOM 486 CE2 TRP A 241 -4.487 7.959 8.240 1.00 0.00 C ATOM 487 CE3 TRP A 241 -3.602 5.732 7.941 1.00 0.00 C ATOM 488 CZ2 TRP A 241 -4.790 7.708 9.576 1.00 0.00 C ATOM 489 CZ3 TRP A 241 -3.903 5.485 9.266 1.00 0.00 C ATOM 490 CH2 TRP A 241 -4.493 6.468 10.072 1.00 0.00 C ATOM 0 H TRP A 241 -2.223 9.012 3.188 1.00 0.00 H new ATOM 0 HA TRP A 241 -1.114 7.436 5.428 1.00 0.00 H new ATOM 0 HB2 TRP A 241 -3.806 7.091 4.053 1.00 0.00 H new ATOM 0 HB3 TRP A 241 -3.067 5.865 5.063 1.00 0.00 H new ATOM 0 HD1 TRP A 241 -4.235 9.576 5.408 1.00 0.00 H new ATOM 0 HE1 TRP A 241 -5.083 9.961 7.822 1.00 0.00 H new ATOM 0 HE3 TRP A 241 -3.148 4.967 7.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 241 -5.243 8.465 10.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 241 -3.680 4.517 9.689 1.00 0.00 H new ATOM 0 HH2 TRP A 241 -4.717 6.242 11.104 1.00 0.00 H new ATOM 501 N CYS A 242 -0.761 5.396 3.798 1.00 0.00 N ATOM 502 CA CYS A 242 -0.140 4.481 2.846 1.00 0.00 C ATOM 503 C CYS A 242 -0.757 3.087 2.945 1.00 0.00 C ATOM 504 O CYS A 242 -1.310 2.710 3.979 1.00 0.00 O ATOM 505 CB CYS A 242 1.372 4.412 3.090 1.00 0.00 C ATOM 506 SG CYS A 242 2.233 3.172 2.092 1.00 0.00 S ATOM 0 H CYS A 242 -0.893 5.007 4.732 1.00 0.00 H new ATOM 0 HA CYS A 242 -0.320 4.860 1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 242 1.806 5.391 2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 242 1.549 4.199 4.144 1.00 0.00 H new ATOM 0 HG CYS A 242 3.503 3.196 2.371 1.00 0.00 H new ATOM 512 N GLY A 243 -0.654 2.331 1.858 1.00 0.00 N ATOM 513 CA GLY A 243 -1.198 0.988 1.820 1.00 0.00 C ATOM 514 C GLY A 243 -0.117 -0.064 1.676 1.00 0.00 C ATOM 515 O GLY A 243 0.698 -0.001 0.756 1.00 0.00 O ATOM 0 H GLY A 243 -0.199 2.629 0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -1.765 0.802 2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -1.897 0.904 0.988 1.00 0.00 H new ATOM 519 N VAL A 244 -0.106 -1.030 2.586 1.00 0.00 N ATOM 520 CA VAL A 244 0.888 -2.096 2.552 1.00 0.00 C ATOM 521 C VAL A 244 0.225 -3.468 2.640 1.00 0.00 C ATOM 522 O VAL A 244 -0.631 -3.700 3.493 1.00 0.00 O ATOM 523 CB VAL A 244 1.901 -1.959 3.709 1.00 0.00 C ATOM 524 CG1 VAL A 244 3.123 -2.827 3.459 1.00 0.00 C ATOM 525 CG2 VAL A 244 2.308 -0.505 3.906 1.00 0.00 C ATOM 0 H VAL A 244 -0.772 -1.098 3.355 1.00 0.00 H new ATOM 0 HA VAL A 244 1.414 -2.006 1.602 1.00 0.00 H new ATOM 0 HB VAL A 244 1.417 -2.303 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 244 3.824 -2.715 4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 244 2.818 -3.870 3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 244 3.605 -2.519 2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 244 3.022 -0.435 4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 244 2.768 -0.129 2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 244 1.426 0.091 4.141 1.00 0.00 H new ATOM 535 N GLU A 245 0.637 -4.374 1.761 1.00 0.00 N ATOM 536 CA GLU A 245 0.091 -5.727 1.747 1.00 0.00 C ATOM 537 C GLU A 245 0.831 -6.597 2.754 1.00 0.00 C ATOM 538 O GLU A 245 2.007 -6.909 2.574 1.00 0.00 O ATOM 539 CB GLU A 245 0.202 -6.333 0.347 1.00 0.00 C ATOM 540 CG GLU A 245 -0.376 -7.734 0.242 1.00 0.00 C ATOM 541 CD GLU A 245 -0.666 -8.139 -1.189 1.00 0.00 C ATOM 542 OE1 GLU A 245 -0.843 -7.239 -2.038 1.00 0.00 O ATOM 543 OE2 GLU A 245 -0.715 -9.357 -1.464 1.00 0.00 O ATOM 0 H GLU A 245 1.346 -4.197 1.049 1.00 0.00 H new ATOM 0 HA GLU A 245 -0.962 -5.682 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -0.311 -5.684 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.252 -6.359 0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 245 0.323 -8.445 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -1.296 -7.788 0.825 1.00 0.00 H new ATOM 550 N LEU A 246 0.139 -6.975 3.822 1.00 0.00 N ATOM 551 CA LEU A 246 0.738 -7.793 4.868 1.00 0.00 C ATOM 552 C LEU A 246 1.059 -9.194 4.364 1.00 0.00 C ATOM 553 O LEU A 246 0.290 -9.789 3.608 1.00 0.00 O ATOM 554 CB LEU A 246 -0.194 -7.873 6.078 1.00 0.00 C ATOM 555 CG LEU A 246 -0.514 -6.532 6.739 1.00 0.00 C ATOM 556 CD1 LEU A 246 -1.499 -6.721 7.883 1.00 0.00 C ATOM 557 CD2 LEU A 246 0.761 -5.867 7.235 1.00 0.00 C ATOM 0 H LEU A 246 -0.837 -6.728 3.986 1.00 0.00 H new ATOM 0 HA LEU A 246 1.673 -7.319 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -1.129 -8.340 5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 246 0.258 -8.529 6.822 1.00 0.00 H new ATOM 0 HG LEU A 246 -0.975 -5.882 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -1.714 -5.756 8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -2.423 -7.155 7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -1.067 -7.388 8.629 1.00 0.00 H new ATOM 0 HD21 LEU A 246 0.516 -4.914 7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 246 1.249 -6.514 7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 246 1.433 -5.696 6.394 1.00 0.00 H new ATOM 569 N ASP A 247 2.208 -9.713 4.789 1.00 0.00 N ATOM 570 CA ASP A 247 2.651 -11.041 4.389 1.00 0.00 C ATOM 571 C ASP A 247 1.770 -12.129 5.002 1.00 0.00 C ATOM 572 O ASP A 247 1.677 -13.236 4.473 1.00 0.00 O ATOM 573 CB ASP A 247 4.107 -11.254 4.803 1.00 0.00 C ATOM 574 CG ASP A 247 5.083 -10.611 3.839 1.00 0.00 C ATOM 575 OD1 ASP A 247 5.137 -11.048 2.669 1.00 0.00 O ATOM 576 OD2 ASP A 247 5.793 -9.670 4.250 1.00 0.00 O ATOM 0 H ASP A 247 2.851 -9.228 5.415 1.00 0.00 H new ATOM 0 HA ASP A 247 2.569 -11.111 3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 247 4.262 -10.843 5.800 1.00 0.00 H new ATOM 0 HB3 ASP A 247 4.312 -12.323 4.864 1.00 0.00 H new ATOM 581 N GLU A 248 1.126 -11.808 6.122 1.00 0.00 N ATOM 582 CA GLU A 248 0.258 -12.763 6.803 1.00 0.00 C ATOM 583 C GLU A 248 -1.032 -12.092 7.267 1.00 0.00 C ATOM 584 O GLU A 248 -1.151 -10.867 7.228 1.00 0.00 O ATOM 585 CB GLU A 248 0.992 -13.383 7.994 1.00 0.00 C ATOM 586 CG GLU A 248 1.464 -14.806 7.743 1.00 0.00 C ATOM 587 CD GLU A 248 2.083 -15.440 8.972 1.00 0.00 C ATOM 588 OE1 GLU A 248 2.998 -14.827 9.560 1.00 0.00 O ATOM 589 OE2 GLU A 248 1.654 -16.552 9.348 1.00 0.00 O ATOM 0 H GLU A 248 1.189 -10.896 6.575 1.00 0.00 H new ATOM 0 HA GLU A 248 -0.005 -13.552 6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 248 1.853 -12.762 8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 248 0.332 -13.376 8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 248 0.620 -15.412 7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 248 2.193 -14.805 6.933 1.00 0.00 H new ATOM 596 N PRO A 249 -2.023 -12.887 7.712 1.00 0.00 N ATOM 597 CA PRO A 249 -3.309 -12.359 8.181 1.00 0.00 C ATOM 598 C PRO A 249 -3.167 -11.542 9.462 1.00 0.00 C ATOM 599 O PRO A 249 -3.635 -11.946 10.526 1.00 0.00 O ATOM 600 CB PRO A 249 -4.145 -13.617 8.437 1.00 0.00 C ATOM 601 CG PRO A 249 -3.150 -14.702 8.655 1.00 0.00 C ATOM 602 CD PRO A 249 -1.970 -14.360 7.790 1.00 0.00 C ATOM 0 HA PRO A 249 -3.756 -11.678 7.457 1.00 0.00 H new ATOM 0 HB2 PRO A 249 -4.790 -13.492 9.307 1.00 0.00 H new ATOM 0 HB3 PRO A 249 -4.793 -13.840 7.589 1.00 0.00 H new ATOM 0 HG2 PRO A 249 -2.861 -14.761 9.704 1.00 0.00 H new ATOM 0 HG3 PRO A 249 -3.565 -15.673 8.383 1.00 0.00 H new ATOM 0 HD2 PRO A 249 -1.035 -14.706 8.230 1.00 0.00 H new ATOM 0 HD3 PRO A 249 -2.047 -14.818 6.804 1.00 0.00 H new ATOM 610 N LEU A 250 -2.517 -10.389 9.347 1.00 0.00 N ATOM 611 CA LEU A 250 -2.309 -9.508 10.489 1.00 0.00 C ATOM 612 C LEU A 250 -2.810 -8.099 10.189 1.00 0.00 C ATOM 613 O LEU A 250 -2.307 -7.120 10.740 1.00 0.00 O ATOM 614 CB LEU A 250 -0.827 -9.467 10.865 1.00 0.00 C ATOM 615 CG LEU A 250 0.142 -9.452 9.678 1.00 0.00 C ATOM 616 CD1 LEU A 250 1.191 -8.366 9.854 1.00 0.00 C ATOM 617 CD2 LEU A 250 0.805 -10.811 9.515 1.00 0.00 C ATOM 0 H LEU A 250 -2.124 -10.043 8.472 1.00 0.00 H new ATOM 0 HA LEU A 250 -2.879 -9.904 11.330 1.00 0.00 H new ATOM 0 HB2 LEU A 250 -0.646 -8.581 11.473 1.00 0.00 H new ATOM 0 HB3 LEU A 250 -0.602 -10.333 11.488 1.00 0.00 H new ATOM 0 HG LEU A 250 -0.427 -9.234 8.775 1.00 0.00 H new ATOM 0 HD11 LEU A 250 1.869 -8.373 9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.701 -7.394 9.921 1.00 0.00 H new ATOM 0 HD13 LEU A 250 1.756 -8.551 10.767 1.00 0.00 H new ATOM 0 HD21 LEU A 250 1.490 -10.782 8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 250 1.359 -11.057 10.421 1.00 0.00 H new ATOM 0 HD23 LEU A 250 0.042 -11.569 9.339 1.00 0.00 H new ATOM 629 N GLY A 251 -3.805 -8.002 9.312 1.00 0.00 N ATOM 630 CA GLY A 251 -4.356 -6.708 8.955 1.00 0.00 C ATOM 631 C GLY A 251 -5.765 -6.514 9.478 1.00 0.00 C ATOM 632 O GLY A 251 -6.187 -7.196 10.411 1.00 0.00 O ATOM 0 H GLY A 251 -4.239 -8.797 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -3.713 -5.921 9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -4.357 -6.604 7.870 1.00 0.00 H new ATOM 636 N LYS A 252 -6.495 -5.578 8.877 1.00 0.00 N ATOM 637 CA LYS A 252 -7.865 -5.297 9.292 1.00 0.00 C ATOM 638 C LYS A 252 -8.828 -5.383 8.112 1.00 0.00 C ATOM 639 O LYS A 252 -9.930 -5.916 8.237 1.00 0.00 O ATOM 640 CB LYS A 252 -7.951 -3.911 9.935 1.00 0.00 C ATOM 641 CG LYS A 252 -6.825 -3.621 10.913 1.00 0.00 C ATOM 642 CD LYS A 252 -7.068 -4.288 12.257 1.00 0.00 C ATOM 643 CE LYS A 252 -5.799 -4.339 13.091 1.00 0.00 C ATOM 644 NZ LYS A 252 -6.081 -4.686 14.511 1.00 0.00 N ATOM 0 H LYS A 252 -6.161 -5.003 8.103 1.00 0.00 H new ATOM 0 HA LYS A 252 -8.154 -6.051 10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -7.942 -3.155 9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -8.905 -3.820 10.455 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -5.881 -3.972 10.497 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -6.731 -2.544 11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -7.840 -3.743 12.800 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -7.442 -5.300 12.100 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -5.115 -5.074 12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -5.296 -3.373 13.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -5.190 -4.710 15.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -6.713 -3.971 14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -6.538 -5.619 14.556 1.00 0.00 H new ATOM 658 N ASN A 253 -8.407 -4.853 6.966 1.00 0.00 N ATOM 659 CA ASN A 253 -9.239 -4.870 5.768 1.00 0.00 C ATOM 660 C ASN A 253 -8.591 -5.699 4.662 1.00 0.00 C ATOM 661 O ASN A 253 -7.432 -6.100 4.769 1.00 0.00 O ATOM 662 CB ASN A 253 -9.490 -3.442 5.275 1.00 0.00 C ATOM 663 CG ASN A 253 -8.231 -2.773 4.760 1.00 0.00 C ATOM 664 OD1 ASN A 253 -8.030 -2.647 3.551 1.00 0.00 O ATOM 665 ND2 ASN A 253 -7.373 -2.340 5.676 1.00 0.00 N ATOM 0 H ASN A 253 -7.497 -4.408 6.843 1.00 0.00 H new ATOM 0 HA ASN A 253 -10.193 -5.330 6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 253 -10.237 -3.462 4.482 1.00 0.00 H new ATOM 0 HB3 ASN A 253 -9.905 -2.848 6.089 1.00 0.00 H new ATOM 0 HD21 ASN A 253 -6.508 -1.882 5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 253 -7.579 -2.465 6.667 1.00 0.00 H new ATOM 672 N ASP A 254 -9.350 -5.949 3.600 1.00 0.00 N ATOM 673 CA ASP A 254 -8.853 -6.731 2.472 1.00 0.00 C ATOM 674 C ASP A 254 -8.416 -5.821 1.325 1.00 0.00 C ATOM 675 O ASP A 254 -8.415 -6.231 0.164 1.00 0.00 O ATOM 676 CB ASP A 254 -9.931 -7.702 1.986 1.00 0.00 C ATOM 677 CG ASP A 254 -11.162 -6.989 1.463 1.00 0.00 C ATOM 678 OD1 ASP A 254 -11.609 -6.022 2.113 1.00 0.00 O ATOM 679 OD2 ASP A 254 -11.680 -7.399 0.402 1.00 0.00 O ATOM 0 H ASP A 254 -10.311 -5.622 3.496 1.00 0.00 H new ATOM 0 HA ASP A 254 -7.986 -7.298 2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 254 -9.519 -8.333 1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 254 -10.218 -8.361 2.805 1.00 0.00 H new ATOM 684 N GLY A 255 -8.040 -4.589 1.657 1.00 0.00 N ATOM 685 CA GLY A 255 -7.604 -3.650 0.642 1.00 0.00 C ATOM 686 C GLY A 255 -8.633 -2.572 0.352 1.00 0.00 C ATOM 687 O GLY A 255 -8.574 -1.914 -0.688 1.00 0.00 O ATOM 0 H GLY A 255 -8.030 -4.226 2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 255 -6.675 -3.180 0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 255 -7.385 -4.193 -0.278 1.00 0.00 H new ATOM 691 N ALA A 256 -9.578 -2.390 1.269 1.00 0.00 N ATOM 692 CA ALA A 256 -10.620 -1.384 1.100 1.00 0.00 C ATOM 693 C ALA A 256 -10.881 -0.636 2.402 1.00 0.00 C ATOM 694 O ALA A 256 -10.663 -1.168 3.491 1.00 0.00 O ATOM 695 CB ALA A 256 -11.900 -2.032 0.593 1.00 0.00 C ATOM 0 H ALA A 256 -9.643 -2.925 2.135 1.00 0.00 H new ATOM 0 HA ALA A 256 -10.275 -0.660 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 256 -12.670 -1.270 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 256 -11.709 -2.512 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 256 -12.239 -2.779 1.311 1.00 0.00 H new ATOM 701 N VAL A 257 -11.348 0.602 2.279 1.00 0.00 N ATOM 702 CA VAL A 257 -11.640 1.428 3.443 1.00 0.00 C ATOM 703 C VAL A 257 -12.979 2.142 3.286 1.00 0.00 C ATOM 704 O VAL A 257 -13.153 2.970 2.393 1.00 0.00 O ATOM 705 CB VAL A 257 -10.535 2.478 3.675 1.00 0.00 C ATOM 706 CG1 VAL A 257 -10.803 3.272 4.947 1.00 0.00 C ATOM 707 CG2 VAL A 257 -9.170 1.808 3.733 1.00 0.00 C ATOM 0 H VAL A 257 -11.532 1.055 1.384 1.00 0.00 H new ATOM 0 HA VAL A 257 -11.685 0.761 4.304 1.00 0.00 H new ATOM 0 HB VAL A 257 -10.540 3.174 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -10.011 4.007 5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -11.762 3.784 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -10.829 2.594 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -8.401 2.563 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -9.153 1.088 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -8.977 1.293 2.792 1.00 0.00 H new ATOM 717 N ALA A 258 -13.924 1.813 4.163 1.00 0.00 N ATOM 718 CA ALA A 258 -15.248 2.422 4.123 1.00 0.00 C ATOM 719 C ALA A 258 -15.931 2.178 2.780 1.00 0.00 C ATOM 720 O ALA A 258 -16.815 2.935 2.376 1.00 0.00 O ATOM 721 CB ALA A 258 -15.151 3.913 4.403 1.00 0.00 C ATOM 0 H ALA A 258 -13.797 1.129 4.909 1.00 0.00 H new ATOM 0 HA ALA A 258 -15.856 1.955 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 258 -16.147 4.355 4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 258 -14.717 4.070 5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 258 -14.520 4.384 3.650 1.00 0.00 H new ATOM 727 N GLY A 259 -15.519 1.118 2.090 1.00 0.00 N ATOM 728 CA GLY A 259 -16.106 0.796 0.802 1.00 0.00 C ATOM 729 C GLY A 259 -15.269 1.289 -0.365 1.00 0.00 C ATOM 730 O GLY A 259 -15.721 1.269 -1.510 1.00 0.00 O ATOM 0 H GLY A 259 -14.789 0.477 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -16.230 -0.284 0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -17.101 1.236 0.741 1.00 0.00 H new ATOM 734 N THR A 260 -14.047 1.734 -0.081 1.00 0.00 N ATOM 735 CA THR A 260 -13.153 2.230 -1.119 1.00 0.00 C ATOM 736 C THR A 260 -11.900 1.364 -1.217 1.00 0.00 C ATOM 737 O THR A 260 -11.089 1.324 -0.292 1.00 0.00 O ATOM 738 CB THR A 260 -12.765 3.682 -0.835 1.00 0.00 C ATOM 739 OG1 THR A 260 -13.899 4.439 -0.455 1.00 0.00 O ATOM 740 CG2 THR A 260 -12.128 4.373 -2.020 1.00 0.00 C ATOM 0 H THR A 260 -13.655 1.760 0.860 1.00 0.00 H new ATOM 0 HA THR A 260 -13.680 2.183 -2.072 1.00 0.00 H new ATOM 0 HB THR A 260 -12.035 3.633 -0.027 1.00 0.00 H new ATOM 0 HG1 THR A 260 -13.630 5.364 -0.276 1.00 0.00 H new ATOM 0 HG21 THR A 260 -11.877 5.399 -1.751 1.00 0.00 H new ATOM 0 HG22 THR A 260 -11.221 3.841 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 260 -12.826 4.378 -2.857 1.00 0.00 H new ATOM 748 N ARG A 261 -11.747 0.675 -2.343 1.00 0.00 N ATOM 749 CA ARG A 261 -10.589 -0.186 -2.558 1.00 0.00 C ATOM 750 C ARG A 261 -9.438 0.595 -3.183 1.00 0.00 C ATOM 751 O ARG A 261 -9.502 0.986 -4.349 1.00 0.00 O ATOM 752 CB ARG A 261 -10.965 -1.370 -3.451 1.00 0.00 C ATOM 753 CG ARG A 261 -9.810 -2.323 -3.716 1.00 0.00 C ATOM 754 CD ARG A 261 -10.146 -3.315 -4.819 1.00 0.00 C ATOM 755 NE ARG A 261 -10.174 -2.681 -6.135 1.00 0.00 N ATOM 756 CZ ARG A 261 -9.083 -2.397 -6.844 1.00 0.00 C ATOM 757 NH1 ARG A 261 -7.879 -2.686 -6.367 1.00 0.00 N ATOM 758 NH2 ARG A 261 -9.198 -1.822 -8.033 1.00 0.00 N ATOM 0 H ARG A 261 -12.408 0.696 -3.119 1.00 0.00 H new ATOM 0 HA ARG A 261 -10.263 -0.562 -1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -11.781 -1.922 -2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -11.339 -0.992 -4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -8.924 -1.753 -3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -9.566 -2.863 -2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -9.410 -4.119 -4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -11.115 -3.770 -4.615 1.00 0.00 H new ATOM 0 HE ARG A 261 -11.082 -2.442 -6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -7.785 -3.128 -5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -7.047 -2.466 -6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -10.121 -1.598 -8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -8.363 -1.604 -8.577 1.00 0.00 H new ATOM 772 N TYR A 262 -8.386 0.817 -2.402 1.00 0.00 N ATOM 773 CA TYR A 262 -7.221 1.550 -2.881 1.00 0.00 C ATOM 774 C TYR A 262 -6.281 0.629 -3.652 1.00 0.00 C ATOM 775 O TYR A 262 -5.649 1.040 -4.625 1.00 0.00 O ATOM 776 CB TYR A 262 -6.479 2.194 -1.708 1.00 0.00 C ATOM 777 CG TYR A 262 -7.255 3.303 -1.036 1.00 0.00 C ATOM 778 CD1 TYR A 262 -8.322 3.019 -0.193 1.00 0.00 C ATOM 779 CD2 TYR A 262 -6.922 4.636 -1.245 1.00 0.00 C ATOM 780 CE1 TYR A 262 -9.036 4.031 0.421 1.00 0.00 C ATOM 781 CE2 TYR A 262 -7.630 5.653 -0.634 1.00 0.00 C ATOM 782 CZ TYR A 262 -8.686 5.345 0.198 1.00 0.00 C ATOM 783 OH TYR A 262 -9.393 6.356 0.808 1.00 0.00 O ATOM 0 H TYR A 262 -8.317 0.500 -1.435 1.00 0.00 H new ATOM 0 HA TYR A 262 -7.566 2.334 -3.555 1.00 0.00 H new ATOM 0 HB2 TYR A 262 -6.247 1.426 -0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 262 -5.529 2.591 -2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 262 -8.598 1.990 -0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 262 -6.096 4.881 -1.896 1.00 0.00 H new ATOM 0 HE1 TYR A 262 -9.864 3.793 1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 262 -7.358 6.684 -0.807 1.00 0.00 H new ATOM 0 HH TYR A 262 -10.236 6.000 1.159 1.00 0.00 H new ATOM 793 N PHE A 263 -6.200 -0.622 -3.211 1.00 0.00 N ATOM 794 CA PHE A 263 -5.345 -1.610 -3.857 1.00 0.00 C ATOM 795 C PHE A 263 -5.907 -3.015 -3.668 1.00 0.00 C ATOM 796 O PHE A 263 -6.885 -3.210 -2.947 1.00 0.00 O ATOM 797 CB PHE A 263 -3.923 -1.531 -3.298 1.00 0.00 C ATOM 798 CG PHE A 263 -3.868 -1.419 -1.802 1.00 0.00 C ATOM 799 CD1 PHE A 263 -4.051 -0.194 -1.181 1.00 0.00 C ATOM 800 CD2 PHE A 263 -3.629 -2.535 -1.017 1.00 0.00 C ATOM 801 CE1 PHE A 263 -3.999 -0.085 0.195 1.00 0.00 C ATOM 802 CE2 PHE A 263 -3.576 -2.432 0.360 1.00 0.00 C ATOM 803 CZ PHE A 263 -3.761 -1.205 0.967 1.00 0.00 C ATOM 0 H PHE A 263 -6.718 -0.976 -2.407 1.00 0.00 H new ATOM 0 HA PHE A 263 -5.316 -1.390 -4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 263 -3.371 -2.418 -3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 263 -3.417 -0.671 -3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 263 -4.236 0.686 -1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 263 -3.482 -3.497 -1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 263 -4.144 0.876 0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 263 -3.390 -3.310 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 263 -3.720 -1.122 2.043 1.00 0.00 H new ATOM 813 N GLN A 264 -5.287 -3.991 -4.323 1.00 0.00 N ATOM 814 CA GLN A 264 -5.733 -5.375 -4.226 1.00 0.00 C ATOM 815 C GLN A 264 -4.801 -6.189 -3.336 1.00 0.00 C ATOM 816 O GLN A 264 -3.584 -6.184 -3.524 1.00 0.00 O ATOM 817 CB GLN A 264 -5.811 -6.007 -5.618 1.00 0.00 C ATOM 818 CG GLN A 264 -6.490 -7.367 -5.630 1.00 0.00 C ATOM 819 CD GLN A 264 -8.002 -7.263 -5.706 1.00 0.00 C ATOM 820 OE1 GLN A 264 -8.595 -7.450 -6.767 1.00 0.00 O ATOM 821 NE2 GLN A 264 -8.630 -6.961 -4.576 1.00 0.00 N ATOM 0 H GLN A 264 -4.476 -3.849 -4.925 1.00 0.00 H new ATOM 0 HA GLN A 264 -6.726 -5.378 -3.777 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -6.351 -5.334 -6.284 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -4.802 -6.110 -6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -6.126 -7.943 -6.480 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -6.212 -7.916 -4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -8.096 -6.815 -3.719 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -9.646 -6.875 -4.565 1.00 0.00 H new ATOM 830 N CYS A 265 -5.381 -6.888 -2.366 1.00 0.00 N ATOM 831 CA CYS A 265 -4.604 -7.709 -1.446 1.00 0.00 C ATOM 832 C CYS A 265 -5.451 -8.847 -0.884 1.00 0.00 C ATOM 833 O CYS A 265 -6.681 -8.801 -0.928 1.00 0.00 O ATOM 834 CB CYS A 265 -4.056 -6.853 -0.304 1.00 0.00 C ATOM 835 SG CYS A 265 -5.322 -5.935 0.605 1.00 0.00 S ATOM 0 H CYS A 265 -6.387 -6.902 -2.197 1.00 0.00 H new ATOM 0 HA CYS A 265 -3.770 -8.140 -1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -3.519 -7.497 0.393 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -3.331 -6.147 -0.709 1.00 0.00 H new ATOM 0 HG CYS A 265 -4.981 -4.683 0.679 1.00 0.00 H new ATOM 841 N GLN A 266 -4.784 -9.865 -0.351 1.00 0.00 N ATOM 842 CA GLN A 266 -5.471 -11.016 0.223 1.00 0.00 C ATOM 843 C GLN A 266 -6.363 -10.593 1.389 1.00 0.00 C ATOM 844 O GLN A 266 -6.242 -9.480 1.899 1.00 0.00 O ATOM 845 CB GLN A 266 -4.456 -12.059 0.694 1.00 0.00 C ATOM 846 CG GLN A 266 -4.046 -13.042 -0.392 1.00 0.00 C ATOM 847 CD GLN A 266 -5.128 -14.058 -0.699 1.00 0.00 C ATOM 848 OE1 GLN A 266 -5.285 -15.049 0.014 1.00 0.00 O ATOM 849 NE2 GLN A 266 -5.883 -13.814 -1.763 1.00 0.00 N ATOM 0 H GLN A 266 -3.766 -9.916 -0.305 1.00 0.00 H new ATOM 0 HA GLN A 266 -6.100 -11.455 -0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 266 -3.567 -11.548 1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 266 -4.878 -12.612 1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 266 -3.801 -12.492 -1.301 1.00 0.00 H new ATOM 0 HG3 GLN A 266 -3.141 -13.564 -0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 266 -5.717 -12.980 -2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 266 -6.629 -14.461 -2.018 1.00 0.00 H new ATOM 858 N PRO A 267 -7.273 -11.478 1.824 1.00 0.00 N ATOM 859 CA PRO A 267 -8.187 -11.190 2.936 1.00 0.00 C ATOM 860 C PRO A 267 -7.440 -10.951 4.244 1.00 0.00 C ATOM 861 O PRO A 267 -6.568 -11.733 4.624 1.00 0.00 O ATOM 862 CB PRO A 267 -9.051 -12.454 3.039 1.00 0.00 C ATOM 863 CG PRO A 267 -8.876 -13.159 1.736 1.00 0.00 C ATOM 864 CD PRO A 267 -7.489 -12.825 1.272 1.00 0.00 C ATOM 0 HA PRO A 267 -8.765 -10.282 2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -8.732 -13.081 3.871 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -10.097 -12.202 3.212 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -9.000 -14.235 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -9.620 -12.830 1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -6.755 -13.538 1.647 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -7.414 -12.833 0.185 1.00 0.00 H new ATOM 872 N LYS A 268 -7.789 -9.868 4.929 1.00 0.00 N ATOM 873 CA LYS A 268 -7.154 -9.527 6.198 1.00 0.00 C ATOM 874 C LYS A 268 -5.654 -9.300 6.023 1.00 0.00 C ATOM 875 O LYS A 268 -4.881 -9.443 6.969 1.00 0.00 O ATOM 876 CB LYS A 268 -7.395 -10.634 7.226 1.00 0.00 C ATOM 877 CG LYS A 268 -8.847 -10.758 7.657 1.00 0.00 C ATOM 878 CD LYS A 268 -8.966 -11.061 9.142 1.00 0.00 C ATOM 879 CE LYS A 268 -10.358 -11.554 9.504 1.00 0.00 C ATOM 880 NZ LYS A 268 -10.341 -12.960 9.994 1.00 0.00 N ATOM 0 H LYS A 268 -8.508 -9.211 4.627 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.601 -8.600 6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -7.067 -11.585 6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -6.779 -10.443 8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -9.375 -9.831 7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -9.331 -11.549 7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -8.229 -11.814 9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -8.737 -10.163 9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -10.783 -10.908 10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -11.007 -11.482 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -11.309 -13.257 10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -9.959 -13.581 9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -9.743 -13.025 10.842 1.00 0.00 H new ATOM 894 N TYR A 269 -5.247 -8.942 4.808 1.00 0.00 N ATOM 895 CA TYR A 269 -3.838 -8.692 4.517 1.00 0.00 C ATOM 896 C TYR A 269 -3.590 -7.211 4.239 1.00 0.00 C ATOM 897 O TYR A 269 -2.457 -6.739 4.319 1.00 0.00 O ATOM 898 CB TYR A 269 -3.385 -9.524 3.314 1.00 0.00 C ATOM 899 CG TYR A 269 -2.853 -10.895 3.675 1.00 0.00 C ATOM 900 CD1 TYR A 269 -3.411 -11.630 4.713 1.00 0.00 C ATOM 901 CD2 TYR A 269 -1.795 -11.454 2.970 1.00 0.00 C ATOM 902 CE1 TYR A 269 -2.926 -12.883 5.039 1.00 0.00 C ATOM 903 CE2 TYR A 269 -1.306 -12.705 3.290 1.00 0.00 C ATOM 904 CZ TYR A 269 -1.875 -13.416 4.325 1.00 0.00 C ATOM 905 OH TYR A 269 -1.392 -14.664 4.646 1.00 0.00 O ATOM 0 H TYR A 269 -5.871 -8.819 4.011 1.00 0.00 H new ATOM 0 HA TYR A 269 -3.260 -8.983 5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 269 -4.225 -9.641 2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 269 -2.611 -8.975 2.777 1.00 0.00 H new ATOM 0 HD1 TYR A 269 -4.236 -11.217 5.274 1.00 0.00 H new ATOM 0 HD2 TYR A 269 -1.347 -10.901 2.158 1.00 0.00 H new ATOM 0 HE1 TYR A 269 -3.369 -13.442 5.850 1.00 0.00 H new ATOM 0 HE2 TYR A 269 -0.482 -13.124 2.732 1.00 0.00 H new ATOM 0 HH TYR A 269 -0.651 -14.892 4.046 1.00 0.00 H new ATOM 915 N GLY A 270 -4.652 -6.480 3.911 1.00 0.00 N ATOM 916 CA GLY A 270 -4.515 -5.064 3.626 1.00 0.00 C ATOM 917 C GLY A 270 -4.442 -4.217 4.881 1.00 0.00 C ATOM 918 O GLY A 270 -5.317 -4.294 5.745 1.00 0.00 O ATOM 0 H GLY A 270 -5.602 -6.843 3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -3.616 -4.903 3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -5.360 -4.736 3.021 1.00 0.00 H new ATOM 922 N LEU A 271 -3.396 -3.403 4.980 1.00 0.00 N ATOM 923 CA LEU A 271 -3.209 -2.533 6.134 1.00 0.00 C ATOM 924 C LEU A 271 -2.914 -1.104 5.688 1.00 0.00 C ATOM 925 O LEU A 271 -2.073 -0.877 4.818 1.00 0.00 O ATOM 926 CB LEU A 271 -2.072 -3.053 7.015 1.00 0.00 C ATOM 927 CG LEU A 271 -2.176 -2.680 8.497 1.00 0.00 C ATOM 928 CD1 LEU A 271 -3.436 -3.273 9.112 1.00 0.00 C ATOM 929 CD2 LEU A 271 -0.940 -3.148 9.252 1.00 0.00 C ATOM 0 H LEU A 271 -2.664 -3.328 4.273 1.00 0.00 H new ATOM 0 HA LEU A 271 -4.132 -2.533 6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -2.036 -4.139 6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -1.128 -2.672 6.626 1.00 0.00 H new ATOM 0 HG LEU A 271 -2.236 -1.594 8.575 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -3.492 -2.997 10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -4.312 -2.888 8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -3.408 -4.359 9.023 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -1.031 -2.875 10.303 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -0.849 -4.231 9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -0.054 -2.674 8.829 1.00 0.00 H new ATOM 941 N PHE A 272 -3.618 -0.146 6.280 1.00 0.00 N ATOM 942 CA PHE A 272 -3.439 1.261 5.935 1.00 0.00 C ATOM 943 C PHE A 272 -2.759 2.025 7.065 1.00 0.00 C ATOM 944 O PHE A 272 -3.342 2.218 8.129 1.00 0.00 O ATOM 945 CB PHE A 272 -4.794 1.899 5.626 1.00 0.00 C ATOM 946 CG PHE A 272 -5.339 1.543 4.272 1.00 0.00 C ATOM 947 CD1 PHE A 272 -5.529 0.219 3.914 1.00 0.00 C ATOM 948 CD2 PHE A 272 -5.666 2.534 3.361 1.00 0.00 C ATOM 949 CE1 PHE A 272 -6.035 -0.112 2.671 1.00 0.00 C ATOM 950 CE2 PHE A 272 -6.170 2.210 2.116 1.00 0.00 C ATOM 951 CZ PHE A 272 -6.356 0.885 1.771 1.00 0.00 C ATOM 0 H PHE A 272 -4.318 -0.317 7.001 1.00 0.00 H new ATOM 0 HA PHE A 272 -2.800 1.313 5.054 1.00 0.00 H new ATOM 0 HB2 PHE A 272 -5.511 1.593 6.388 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -4.699 2.983 5.695 1.00 0.00 H new ATOM 0 HD1 PHE A 272 -5.279 -0.564 4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 272 -5.525 3.571 3.627 1.00 0.00 H new ATOM 0 HE1 PHE A 272 -6.179 -1.149 2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 272 -6.418 2.992 1.413 1.00 0.00 H new ATOM 0 HZ PHE A 272 -6.752 0.630 0.799 1.00 0.00 H new ATOM 961 N ALA A 273 -1.530 2.476 6.824 1.00 0.00 N ATOM 962 CA ALA A 273 -0.786 3.234 7.825 1.00 0.00 C ATOM 963 C ALA A 273 -0.014 4.384 7.181 1.00 0.00 C ATOM 964 O ALA A 273 0.405 4.296 6.028 1.00 0.00 O ATOM 965 CB ALA A 273 0.164 2.332 8.600 1.00 0.00 C ATOM 0 H ALA A 273 -1.030 2.330 5.947 1.00 0.00 H new ATOM 0 HA ALA A 273 -1.510 3.653 8.524 1.00 0.00 H new ATOM 0 HB1 ALA A 273 0.705 2.923 9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 273 -0.406 1.552 9.106 1.00 0.00 H new ATOM 0 HB3 ALA A 273 0.874 1.874 7.911 1.00 0.00 H new ATOM 971 N PRO A 274 0.183 5.483 7.928 1.00 0.00 N ATOM 972 CA PRO A 274 0.905 6.660 7.438 1.00 0.00 C ATOM 973 C PRO A 274 2.238 6.305 6.792 1.00 0.00 C ATOM 974 O PRO A 274 2.769 5.213 6.996 1.00 0.00 O ATOM 975 CB PRO A 274 1.144 7.481 8.703 1.00 0.00 C ATOM 976 CG PRO A 274 0.044 7.092 9.628 1.00 0.00 C ATOM 977 CD PRO A 274 -0.290 5.660 9.313 1.00 0.00 C ATOM 0 HA PRO A 274 0.341 7.182 6.665 1.00 0.00 H new ATOM 0 HB2 PRO A 274 2.120 7.263 9.137 1.00 0.00 H new ATOM 0 HB3 PRO A 274 1.121 8.550 8.490 1.00 0.00 H new ATOM 0 HG2 PRO A 274 0.355 7.199 10.667 1.00 0.00 H new ATOM 0 HG3 PRO A 274 -0.826 7.733 9.488 1.00 0.00 H new ATOM 0 HD2 PRO A 274 0.209 4.973 9.997 1.00 0.00 H new ATOM 0 HD3 PRO A 274 -1.360 5.471 9.397 1.00 0.00 H new ATOM 985 N VAL A 275 2.779 7.240 6.017 1.00 0.00 N ATOM 986 CA VAL A 275 4.056 7.032 5.346 1.00 0.00 C ATOM 987 C VAL A 275 5.206 7.061 6.348 1.00 0.00 C ATOM 988 O VAL A 275 6.217 6.383 6.167 1.00 0.00 O ATOM 989 CB VAL A 275 4.299 8.100 4.261 1.00 0.00 C ATOM 990 CG1 VAL A 275 4.326 9.493 4.872 1.00 0.00 C ATOM 991 CG2 VAL A 275 5.591 7.814 3.508 1.00 0.00 C ATOM 0 H VAL A 275 2.352 8.149 5.839 1.00 0.00 H new ATOM 0 HA VAL A 275 4.016 6.051 4.872 1.00 0.00 H new ATOM 0 HB VAL A 275 3.474 8.059 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 275 4.499 10.231 4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 275 3.371 9.696 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 275 5.127 9.552 5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 275 5.745 8.578 2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 275 6.428 7.823 4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 275 5.526 6.836 3.032 1.00 0.00 H new ATOM 1001 N HIS A 276 5.043 7.847 7.411 1.00 0.00 N ATOM 1002 CA HIS A 276 6.070 7.956 8.441 1.00 0.00 C ATOM 1003 C HIS A 276 6.044 6.743 9.367 1.00 0.00 C ATOM 1004 O HIS A 276 7.061 6.384 9.961 1.00 0.00 O ATOM 1005 CB HIS A 276 5.889 9.243 9.253 1.00 0.00 C ATOM 1006 CG HIS A 276 4.479 9.491 9.692 1.00 0.00 C ATOM 1007 ND1 HIS A 276 3.586 8.683 10.314 1.00 0.00 N flip ATOM 1008 CD2 HIS A 276 3.838 10.698 9.510 1.00 0.00 C flip ATOM 1009 CE1 HIS A 276 2.437 9.411 10.494 1.00 0.00 C flip ATOM 1010 NE2 HIS A 276 2.614 10.623 10.003 1.00 0.00 N flip ATOM 0 H HIS A 276 4.213 8.415 7.580 1.00 0.00 H new ATOM 0 HA HIS A 276 7.039 7.990 7.944 1.00 0.00 H new ATOM 0 HB2 HIS A 276 6.531 9.199 10.133 1.00 0.00 H new ATOM 0 HB3 HIS A 276 6.227 10.089 8.654 1.00 0.00 H new ATOM 0 HD2 HIS A 276 4.269 11.569 9.038 1.00 0.00 H new ATOM 0 HE1 HIS A 276 1.533 9.050 10.962 1.00 0.00 H new ATOM 0 HE2 HIS A 276 1.924 11.374 10.004 1.00 0.00 H new ATOM 1019 N LYS A 277 4.881 6.107 9.476 1.00 0.00 N ATOM 1020 CA LYS A 277 4.733 4.928 10.322 1.00 0.00 C ATOM 1021 C LYS A 277 5.310 3.697 9.636 1.00 0.00 C ATOM 1022 O LYS A 277 5.617 2.698 10.287 1.00 0.00 O ATOM 1023 CB LYS A 277 3.259 4.683 10.650 1.00 0.00 C ATOM 1024 CG LYS A 277 2.731 5.543 11.786 1.00 0.00 C ATOM 1025 CD LYS A 277 2.177 4.692 12.917 1.00 0.00 C ATOM 1026 CE LYS A 277 3.288 4.074 13.751 1.00 0.00 C ATOM 1027 NZ LYS A 277 4.142 5.108 14.401 1.00 0.00 N ATOM 0 H LYS A 277 4.029 6.388 8.990 1.00 0.00 H new ATOM 0 HA LYS A 277 5.281 5.110 11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 277 2.662 4.870 9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 277 3.124 3.633 10.909 1.00 0.00 H new ATOM 0 HG2 LYS A 277 3.531 6.178 12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 277 1.950 6.204 11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 277 1.540 5.305 13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 277 1.549 3.902 12.504 1.00 0.00 H new ATOM 0 HE2 LYS A 277 2.852 3.431 14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 277 3.907 3.440 13.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 277 4.739 4.660 15.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 277 4.746 5.560 13.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 277 3.538 5.827 14.847 1.00 0.00 H new ATOM 1041 N VAL A 278 5.455 3.773 8.317 1.00 0.00 N ATOM 1042 CA VAL A 278 5.993 2.661 7.550 1.00 0.00 C ATOM 1043 C VAL A 278 7.489 2.826 7.307 1.00 0.00 C ATOM 1044 O VAL A 278 7.981 3.938 7.123 1.00 0.00 O ATOM 1045 CB VAL A 278 5.279 2.506 6.195 1.00 0.00 C ATOM 1046 CG1 VAL A 278 5.683 1.202 5.530 1.00 0.00 C ATOM 1047 CG2 VAL A 278 3.770 2.568 6.368 1.00 0.00 C ATOM 0 H VAL A 278 5.208 4.591 7.761 1.00 0.00 H new ATOM 0 HA VAL A 278 5.822 1.764 8.145 1.00 0.00 H new ATOM 0 HB VAL A 278 5.582 3.333 5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 278 5.170 1.107 4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 278 6.761 1.196 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 278 5.409 0.366 6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 278 3.288 2.456 5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 278 3.446 1.764 7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 278 3.493 3.528 6.802 1.00 0.00 H new ATOM 1057 N THR A 279 8.203 1.707 7.308 1.00 0.00 N ATOM 1058 CA THR A 279 9.644 1.718 7.088 1.00 0.00 C ATOM 1059 C THR A 279 10.073 0.513 6.259 1.00 0.00 C ATOM 1060 O THR A 279 9.523 -0.578 6.402 1.00 0.00 O ATOM 1061 CB THR A 279 10.383 1.721 8.429 1.00 0.00 C ATOM 1062 OG1 THR A 279 9.516 2.106 9.480 1.00 0.00 O ATOM 1063 CG2 THR A 279 11.575 2.654 8.451 1.00 0.00 C ATOM 0 H THR A 279 7.807 0.779 7.459 1.00 0.00 H new ATOM 0 HA THR A 279 9.899 2.624 6.538 1.00 0.00 H new ATOM 0 HB THR A 279 10.738 0.699 8.566 1.00 0.00 H new ATOM 0 HG1 THR A 279 10.007 2.100 10.328 1.00 0.00 H new ATOM 0 HG21 THR A 279 12.054 2.609 9.429 1.00 0.00 H new ATOM 0 HG22 THR A 279 12.288 2.352 7.683 1.00 0.00 H new ATOM 0 HG23 THR A 279 11.243 3.674 8.256 1.00 0.00 H new ATOM 1071 N LYS A 280 11.055 0.717 5.389 1.00 0.00 N ATOM 1072 CA LYS A 280 11.555 -0.355 4.537 1.00 0.00 C ATOM 1073 C LYS A 280 12.151 -1.481 5.375 1.00 0.00 C ATOM 1074 O LYS A 280 12.950 -1.239 6.282 1.00 0.00 O ATOM 1075 CB LYS A 280 12.600 0.186 3.559 1.00 0.00 C ATOM 1076 CG LYS A 280 12.244 -0.050 2.100 1.00 0.00 C ATOM 1077 CD LYS A 280 13.461 -0.454 1.285 1.00 0.00 C ATOM 1078 CE LYS A 280 13.605 -1.965 1.212 1.00 0.00 C ATOM 1079 NZ LYS A 280 14.538 -2.383 0.130 1.00 0.00 N ATOM 0 H LYS A 280 11.521 1.615 5.255 1.00 0.00 H new ATOM 0 HA LYS A 280 10.716 -0.757 3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 280 12.723 1.256 3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.561 -0.282 3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 280 11.485 -0.829 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 280 11.809 0.857 1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 280 13.377 -0.046 0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 280 14.358 -0.023 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 280 13.967 -2.342 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 280 12.627 -2.415 1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 14.569 -3.421 0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 14.207 -2.003 -0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 15.490 -2.017 0.332 1.00 0.00 H new ATOM 1093 N ILE A 281 11.757 -2.711 5.068 1.00 0.00 N ATOM 1094 CA ILE A 281 12.249 -3.877 5.791 1.00 0.00 C ATOM 1095 C ILE A 281 13.411 -4.538 5.052 1.00 0.00 C ATOM 1096 O ILE A 281 14.242 -5.213 5.659 1.00 0.00 O ATOM 1097 CB ILE A 281 11.131 -4.915 6.012 1.00 0.00 C ATOM 1098 CG1 ILE A 281 11.638 -6.071 6.877 1.00 0.00 C ATOM 1099 CG2 ILE A 281 10.611 -5.432 4.678 1.00 0.00 C ATOM 1100 CD1 ILE A 281 10.550 -7.036 7.295 1.00 0.00 C ATOM 0 H ILE A 281 11.097 -2.927 4.321 1.00 0.00 H new ATOM 0 HA ILE A 281 12.599 -3.522 6.760 1.00 0.00 H new ATOM 0 HB ILE A 281 10.307 -4.429 6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 281 12.405 -6.617 6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 281 12.114 -5.665 7.769 1.00 0.00 H new ATOM 0 HG21 ILE A 281 9.822 -6.164 4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 281 10.212 -4.601 4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 281 11.426 -5.902 4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 281 10.982 -7.829 7.905 1.00 0.00 H new ATOM 0 HD12 ILE A 281 9.794 -6.504 7.873 1.00 0.00 H new ATOM 0 HD13 ILE A 281 10.089 -7.471 6.408 1.00 0.00 H new ATOM 1112 N GLY A 282 13.460 -4.340 3.736 1.00 0.00 N ATOM 1113 CA GLY A 282 14.523 -4.926 2.937 1.00 0.00 C ATOM 1114 C GLY A 282 15.903 -4.576 3.456 1.00 0.00 C ATOM 1115 O GLY A 282 16.204 -3.410 3.706 1.00 0.00 O ATOM 0 H GLY A 282 12.784 -3.786 3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 282 14.408 -6.010 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 282 14.429 -4.584 1.906 1.00 0.00 H new ATOM 1119 N PHE A 283 16.740 -5.594 3.615 1.00 0.00 N ATOM 1120 CA PHE A 283 18.098 -5.396 4.103 1.00 0.00 C ATOM 1121 C PHE A 283 18.937 -4.654 3.062 1.00 0.00 C ATOM 1122 O PHE A 283 18.786 -4.875 1.860 1.00 0.00 O ATOM 1123 CB PHE A 283 18.728 -6.752 4.442 1.00 0.00 C ATOM 1124 CG PHE A 283 20.213 -6.702 4.662 1.00 0.00 C ATOM 1125 CD1 PHE A 283 21.079 -6.698 3.584 1.00 0.00 C ATOM 1126 CD2 PHE A 283 20.738 -6.665 5.943 1.00 0.00 C ATOM 1127 CE1 PHE A 283 22.448 -6.657 3.778 1.00 0.00 C ATOM 1128 CE2 PHE A 283 22.105 -6.623 6.144 1.00 0.00 C ATOM 1129 CZ PHE A 283 22.961 -6.620 5.060 1.00 0.00 C ATOM 0 H PHE A 283 16.502 -6.565 3.413 1.00 0.00 H new ATOM 0 HA PHE A 283 18.067 -4.787 5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 283 18.252 -7.147 5.339 1.00 0.00 H new ATOM 0 HB3 PHE A 283 18.515 -7.452 3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 283 20.682 -6.727 2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 283 20.073 -6.669 6.794 1.00 0.00 H new ATOM 0 HE1 PHE A 283 23.115 -6.654 2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 283 22.503 -6.593 7.147 1.00 0.00 H new ATOM 0 HZ PHE A 283 24.029 -6.589 5.214 1.00 0.00 H new TER 1139 PHE A 283 ATOM 1140 N GLY B 444 8.752 3.469 17.698 1.00 0.00 N ATOM 1141 CA GLY B 444 7.563 3.766 16.920 1.00 0.00 C ATOM 1142 C GLY B 444 6.768 4.922 17.496 1.00 0.00 C ATOM 1143 O GLY B 444 6.589 5.018 18.709 1.00 0.00 O ATOM 0 HA2 GLY B 444 7.852 4.002 15.896 1.00 0.00 H new ATOM 0 HA3 GLY B 444 6.930 2.880 16.876 1.00 0.00 H new ATOM 1146 N GLU B 445 6.293 5.803 16.622 1.00 0.00 N ATOM 1147 CA GLU B 445 5.513 6.959 17.050 1.00 0.00 C ATOM 1148 C GLU B 445 4.116 6.538 17.494 1.00 0.00 C ATOM 1149 O GLU B 445 3.152 6.662 16.740 1.00 0.00 O ATOM 1150 CB GLU B 445 5.415 7.982 15.917 1.00 0.00 C ATOM 1151 CG GLU B 445 4.941 9.352 16.375 1.00 0.00 C ATOM 1152 CD GLU B 445 5.958 10.060 17.248 1.00 0.00 C ATOM 1153 OE1 GLU B 445 6.194 9.595 18.382 1.00 0.00 O ATOM 1154 OE2 GLU B 445 6.519 11.081 16.798 1.00 0.00 O ATOM 0 H GLU B 445 6.434 5.739 15.614 1.00 0.00 H new ATOM 0 HA GLU B 445 6.022 7.416 17.899 1.00 0.00 H new ATOM 0 HB2 GLU B 445 6.392 8.084 15.445 1.00 0.00 H new ATOM 0 HB3 GLU B 445 4.731 7.605 15.156 1.00 0.00 H new ATOM 0 HG2 GLU B 445 4.726 9.968 15.502 1.00 0.00 H new ATOM 0 HG3 GLU B 445 4.007 9.243 16.927 1.00 0.00 H new ATOM 1161 N GLU B 446 4.015 6.043 18.722 1.00 0.00 N ATOM 1162 CA GLU B 446 2.736 5.604 19.269 1.00 0.00 C ATOM 1163 C GLU B 446 2.154 4.461 18.443 1.00 0.00 C ATOM 1164 O GLU B 446 2.772 3.996 17.484 1.00 0.00 O ATOM 1165 CB GLU B 446 1.748 6.772 19.312 1.00 0.00 C ATOM 1166 CG GLU B 446 1.801 7.566 20.607 1.00 0.00 C ATOM 1167 CD GLU B 446 2.313 8.978 20.406 1.00 0.00 C ATOM 1168 OE1 GLU B 446 3.374 9.141 19.768 1.00 0.00 O ATOM 1169 OE2 GLU B 446 1.652 9.923 20.887 1.00 0.00 O ATOM 0 H GLU B 446 4.804 5.935 19.359 1.00 0.00 H new ATOM 0 HA GLU B 446 2.908 5.244 20.284 1.00 0.00 H new ATOM 0 HB2 GLU B 446 1.953 7.441 18.476 1.00 0.00 H new ATOM 0 HB3 GLU B 446 0.738 6.388 19.172 1.00 0.00 H new ATOM 0 HG2 GLU B 446 0.804 7.604 21.046 1.00 0.00 H new ATOM 0 HG3 GLU B 446 2.443 7.049 21.320 1.00 0.00 H new ATOM 1176 N GLU B 447 0.964 4.013 18.822 1.00 0.00 N ATOM 1177 CA GLU B 447 0.294 2.925 18.119 1.00 0.00 C ATOM 1178 C GLU B 447 -1.164 3.274 17.842 1.00 0.00 C ATOM 1179 O GLU B 447 -1.720 4.186 18.453 1.00 0.00 O ATOM 1180 CB GLU B 447 0.377 1.632 18.933 1.00 0.00 C ATOM 1181 CG GLU B 447 1.741 1.391 19.559 1.00 0.00 C ATOM 1182 CD GLU B 447 1.769 1.709 21.041 1.00 0.00 C ATOM 1183 OE1 GLU B 447 0.714 1.571 21.697 1.00 0.00 O ATOM 1184 OE2 GLU B 447 2.842 2.098 21.546 1.00 0.00 O ATOM 0 H GLU B 447 0.441 4.387 19.614 1.00 0.00 H new ATOM 0 HA GLU B 447 0.801 2.776 17.166 1.00 0.00 H new ATOM 0 HB2 GLU B 447 -0.375 1.661 19.722 1.00 0.00 H new ATOM 0 HB3 GLU B 447 0.130 0.790 18.287 1.00 0.00 H new ATOM 0 HG2 GLU B 447 2.026 0.350 19.410 1.00 0.00 H new ATOM 0 HG3 GLU B 447 2.484 2.001 19.046 1.00 0.00 H new ATOM 1191 N GLY B 448 -1.777 2.543 16.918 1.00 0.00 N ATOM 1192 CA GLY B 448 -3.166 2.792 16.577 1.00 0.00 C ATOM 1193 C GLY B 448 -3.317 3.772 15.428 1.00 0.00 C ATOM 1194 O GLY B 448 -4.364 4.403 15.277 1.00 0.00 O ATOM 0 H GLY B 448 -1.338 1.783 16.399 1.00 0.00 H new ATOM 0 HA2 GLY B 448 -3.646 1.850 16.312 1.00 0.00 H new ATOM 0 HA3 GLY B 448 -3.687 3.180 17.452 1.00 0.00 H new ATOM 1198 N GLU B 449 -2.270 3.901 14.620 1.00 0.00 N ATOM 1199 CA GLU B 449 -2.294 4.811 13.480 1.00 0.00 C ATOM 1200 C GLU B 449 -2.423 4.043 12.173 1.00 0.00 C ATOM 1201 O GLU B 449 -1.981 4.512 11.128 1.00 0.00 O ATOM 1202 CB GLU B 449 -1.019 5.658 13.438 1.00 0.00 C ATOM 1203 CG GLU B 449 -0.473 6.020 14.811 1.00 0.00 C ATOM 1204 CD GLU B 449 0.141 7.406 14.847 1.00 0.00 C ATOM 1205 OE1 GLU B 449 0.665 7.849 13.804 1.00 0.00 O ATOM 1206 OE2 GLU B 449 0.098 8.047 15.917 1.00 0.00 O ATOM 0 H GLU B 449 -1.396 3.388 14.733 1.00 0.00 H new ATOM 0 HA GLU B 449 -3.160 5.463 13.599 1.00 0.00 H new ATOM 0 HB2 GLU B 449 -0.252 5.116 12.885 1.00 0.00 H new ATOM 0 HB3 GLU B 449 -1.222 6.575 12.885 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -1.277 5.964 15.544 1.00 0.00 H new ATOM 0 HG3 GLU B 449 0.278 5.286 15.105 1.00 0.00 H new ATOM 1213 N GLU B 450 -3.020 2.860 12.232 1.00 0.00 N ATOM 1214 CA GLU B 450 -3.186 2.047 11.037 1.00 0.00 C ATOM 1215 C GLU B 450 -4.532 1.329 11.037 1.00 0.00 C ATOM 1216 O GLU B 450 -5.093 1.037 12.093 1.00 0.00 O ATOM 1217 CB GLU B 450 -2.037 1.041 10.920 1.00 0.00 C ATOM 1218 CG GLU B 450 -2.128 -0.115 11.906 1.00 0.00 C ATOM 1219 CD GLU B 450 -0.926 -0.189 12.829 1.00 0.00 C ATOM 1220 OE1 GLU B 450 -0.806 0.679 13.719 1.00 0.00 O ATOM 1221 OE2 GLU B 450 -0.106 -1.116 12.662 1.00 0.00 O ATOM 0 H GLU B 450 -3.394 2.446 13.086 1.00 0.00 H new ATOM 0 HA GLU B 450 -3.165 2.708 10.171 1.00 0.00 H new ATOM 0 HB2 GLU B 450 -2.019 0.641 9.906 1.00 0.00 H new ATOM 0 HB3 GLU B 450 -1.093 1.563 11.073 1.00 0.00 H new ATOM 0 HG2 GLU B 450 -3.034 -0.009 12.503 1.00 0.00 H new ATOM 0 HG3 GLU B 450 -2.217 -1.051 11.355 1.00 0.00 H new ATOM 1228 N TYR B 451 -5.044 1.052 9.842 1.00 0.00 N ATOM 1229 CA TYR B 451 -6.326 0.374 9.695 1.00 0.00 C ATOM 1230 C TYR B 451 -6.233 -0.748 8.668 1.00 0.00 C ATOM 1231 O TYR B 451 -5.100 -1.129 8.307 1.00 0.00 O ATOM 1232 CB TYR B 451 -7.406 1.374 9.278 1.00 0.00 C ATOM 1233 CG TYR B 451 -7.957 2.184 10.430 1.00 0.00 C ATOM 1234 CD1 TYR B 451 -7.297 3.320 10.884 1.00 0.00 C ATOM 1235 CD2 TYR B 451 -9.136 1.814 11.063 1.00 0.00 C ATOM 1236 CE1 TYR B 451 -7.796 4.062 11.937 1.00 0.00 C ATOM 1237 CE2 TYR B 451 -9.643 2.552 12.117 1.00 0.00 C ATOM 1238 CZ TYR B 451 -8.970 3.675 12.549 1.00 0.00 C ATOM 1239 OH TYR B 451 -9.471 4.412 13.597 1.00 0.00 O ATOM 1240 OXT TYR B 451 -7.296 -1.237 8.231 1.00 0.00 O ATOM 0 H TYR B 451 -4.589 1.287 8.960 1.00 0.00 H new ATOM 0 HA TYR B 451 -6.593 -0.062 10.658 1.00 0.00 H new ATOM 0 HB2 TYR B 451 -6.993 2.053 8.532 1.00 0.00 H new ATOM 0 HB3 TYR B 451 -8.224 0.835 8.800 1.00 0.00 H new ATOM 0 HD1 TYR B 451 -6.379 3.628 10.406 1.00 0.00 H new ATOM 0 HD2 TYR B 451 -9.666 0.935 10.727 1.00 0.00 H new ATOM 0 HE1 TYR B 451 -7.270 4.941 12.279 1.00 0.00 H new ATOM 0 HE2 TYR B 451 -10.561 2.250 12.599 1.00 0.00 H new ATOM 0 HH TYR B 451 -10.304 4.005 13.914 1.00 0.00 H new TER 1250 TYR B 451