USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 667 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 62 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-0.8) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 162:sc= 0.00974 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -139:sc= -0.123 (180deg=-2.22!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.051 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0302 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.32) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -131:sc= -0.0606 (180deg=-0.457) USER MOD Single : A 48 GLN : amide:sc= -0.0776 K(o=-0.078,f=-3!) USER MOD Single : A 51 MET CE :methyl -178:sc= -3.49! (180deg=-3.66!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 5:sc= -0.222 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-3.4!) USER MOD Single : A 82 ASN : amide:sc= -5.76! K(o=-5.8!,f=-1.9) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -158:sc= 1.83 (180deg=-0.00108) USER MOD Single : A 89 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0236) USER MOD Single : A 93 ASN : amide:sc= -2.65 K(o=-2.6,f=-5.8!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -9.199 -1.150 -12.611 1.00 0.00 N ATOM 143 CA GLU A 10 -8.490 -2.420 -12.530 1.00 0.00 C ATOM 144 C GLU A 10 -9.438 -3.616 -12.545 1.00 0.00 C ATOM 145 O GLU A 10 -10.521 -3.583 -11.958 1.00 0.00 O ATOM 146 CB GLU A 10 -7.593 -2.462 -11.291 1.00 0.00 C ATOM 147 CG GLU A 10 -8.219 -1.867 -10.038 1.00 0.00 C ATOM 148 CD GLU A 10 -9.577 -2.460 -9.718 1.00 0.00 C ATOM 149 OE1 GLU A 10 -9.642 -3.674 -9.431 1.00 0.00 O ATOM 150 OE2 GLU A 10 -10.576 -1.710 -9.752 1.00 0.00 O ATOM 0 HA GLU A 10 -7.866 -2.493 -13.421 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.322 -3.498 -11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.669 -1.927 -11.509 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.550 -2.027 -9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.320 -0.789 -10.165 1.00 0.00 H new ATOM 157 N LYS A 11 -9.009 -4.676 -13.227 1.00 0.00 N ATOM 158 CA LYS A 11 -9.790 -5.903 -13.338 1.00 0.00 C ATOM 159 C LYS A 11 -9.863 -6.622 -11.989 1.00 0.00 C ATOM 160 O LYS A 11 -9.630 -6.014 -10.946 1.00 0.00 O ATOM 161 CB LYS A 11 -9.170 -6.819 -14.400 1.00 0.00 C ATOM 162 CG LYS A 11 -7.703 -7.131 -14.151 1.00 0.00 C ATOM 163 CD LYS A 11 -7.177 -8.175 -15.126 1.00 0.00 C ATOM 164 CE LYS A 11 -6.654 -9.407 -14.403 1.00 0.00 C ATOM 165 NZ LYS A 11 -5.260 -9.741 -14.802 1.00 0.00 N ATOM 0 H LYS A 11 -8.114 -4.707 -13.716 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.805 -5.646 -13.640 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.731 -7.753 -14.435 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.272 -6.349 -15.378 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.116 -6.217 -14.244 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.575 -7.490 -13.130 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.973 -8.466 -15.812 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.379 -7.741 -15.729 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.692 -9.239 -13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.305 -10.255 -14.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.167 -10.771 -14.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.037 -9.278 -15.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.600 -9.407 -14.071 1.00 0.00 H new ATOM 179 N ASP A 12 -10.185 -7.914 -12.016 1.00 0.00 N ATOM 180 CA ASP A 12 -10.283 -8.703 -10.792 1.00 0.00 C ATOM 181 C ASP A 12 -9.391 -9.939 -10.863 1.00 0.00 C ATOM 182 O ASP A 12 -9.635 -10.931 -10.174 1.00 0.00 O ATOM 183 CB ASP A 12 -11.735 -9.125 -10.551 1.00 0.00 C ATOM 184 CG ASP A 12 -12.127 -9.051 -9.089 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.674 -9.916 -8.308 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.889 -8.131 -8.723 1.00 0.00 O ATOM 0 H ASP A 12 -10.382 -8.435 -12.871 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.945 -8.082 -9.963 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.397 -8.485 -11.134 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.878 -10.144 -10.911 1.00 0.00 H new ATOM 191 N GLY A 13 -8.363 -9.878 -11.703 1.00 0.00 N ATOM 192 CA GLY A 13 -7.459 -11.006 -11.849 1.00 0.00 C ATOM 193 C GLY A 13 -6.107 -10.775 -11.199 1.00 0.00 C ATOM 194 O GLY A 13 -5.982 -9.971 -10.279 1.00 0.00 O ATOM 0 H GLY A 13 -8.139 -9.070 -12.284 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.919 -11.892 -11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.315 -11.213 -12.909 1.00 0.00 H new ATOM 198 N ALA A 14 -5.098 -11.502 -11.673 1.00 0.00 N ATOM 199 CA ALA A 14 -3.744 -11.401 -11.129 1.00 0.00 C ATOM 200 C ALA A 14 -3.073 -10.076 -11.487 1.00 0.00 C ATOM 201 O ALA A 14 -3.705 -9.169 -12.032 1.00 0.00 O ATOM 202 CB ALA A 14 -2.901 -12.569 -11.620 1.00 0.00 C ATOM 0 H ALA A 14 -5.193 -12.171 -12.437 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.823 -11.437 -10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.894 -12.488 -11.211 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.351 -13.506 -11.292 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.853 -12.551 -12.709 1.00 0.00 H new ATOM 208 N VAL A 15 -1.770 -9.998 -11.218 1.00 0.00 N ATOM 209 CA VAL A 15 -0.981 -8.815 -11.552 1.00 0.00 C ATOM 210 C VAL A 15 -0.871 -8.659 -13.062 1.00 0.00 C ATOM 211 O VAL A 15 -0.904 -9.649 -13.793 1.00 0.00 O ATOM 212 CB VAL A 15 0.434 -8.876 -10.947 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.199 -10.077 -11.480 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.199 -7.587 -11.212 1.00 0.00 C ATOM 0 H VAL A 15 -1.238 -10.743 -10.768 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.499 -7.956 -11.126 1.00 0.00 H new ATOM 0 HB VAL A 15 0.332 -8.990 -9.868 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.195 -10.099 -11.039 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.667 -10.992 -11.220 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.284 -10.002 -12.564 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.194 -7.658 -10.774 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.286 -7.430 -12.287 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.665 -6.748 -10.765 1.00 0.00 H new ATOM 224 N GLU A 16 -0.710 -7.433 -13.530 1.00 0.00 N ATOM 225 CA GLU A 16 -0.560 -7.177 -14.952 1.00 0.00 C ATOM 226 C GLU A 16 0.579 -6.187 -15.187 1.00 0.00 C ATOM 227 O GLU A 16 0.996 -5.486 -14.264 1.00 0.00 O ATOM 228 CB GLU A 16 -1.858 -6.631 -15.541 1.00 0.00 C ATOM 229 CG GLU A 16 -2.850 -7.710 -15.943 1.00 0.00 C ATOM 230 CD GLU A 16 -3.610 -7.367 -17.211 1.00 0.00 C ATOM 231 OE1 GLU A 16 -3.143 -6.485 -17.963 1.00 0.00 O ATOM 232 OE2 GLU A 16 -4.669 -7.981 -17.452 1.00 0.00 O ATOM 0 H GLU A 16 -0.680 -6.598 -12.945 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.324 -8.118 -15.450 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.328 -5.972 -14.811 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.622 -6.023 -16.415 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.318 -8.651 -16.087 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.560 -7.866 -15.130 1.00 0.00 H new ATOM 239 N ALA A 17 1.095 -6.174 -16.414 1.00 0.00 N ATOM 240 CA ALA A 17 2.227 -5.310 -16.786 1.00 0.00 C ATOM 241 C ALA A 17 2.382 -4.125 -15.826 1.00 0.00 C ATOM 242 O ALA A 17 3.306 -4.101 -15.014 1.00 0.00 O ATOM 243 CB ALA A 17 2.059 -4.813 -18.214 1.00 0.00 C ATOM 0 H ALA A 17 0.748 -6.755 -17.177 1.00 0.00 H new ATOM 0 HA ALA A 17 3.135 -5.908 -16.716 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.902 -4.175 -18.479 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.021 -5.664 -18.893 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.133 -4.243 -18.294 1.00 0.00 H new ATOM 249 N GLU A 18 1.487 -3.146 -15.918 1.00 0.00 N ATOM 250 CA GLU A 18 1.558 -1.972 -15.045 1.00 0.00 C ATOM 251 C GLU A 18 0.309 -1.870 -14.172 1.00 0.00 C ATOM 252 O GLU A 18 -0.518 -0.977 -14.355 1.00 0.00 O ATOM 253 CB GLU A 18 1.716 -0.699 -15.881 1.00 0.00 C ATOM 254 CG GLU A 18 3.096 -0.538 -16.495 1.00 0.00 C ATOM 255 CD GLU A 18 3.246 0.761 -17.264 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.544 0.932 -18.283 1.00 0.00 O ATOM 257 OE2 GLU A 18 4.064 1.607 -16.846 1.00 0.00 O ATOM 0 H GLU A 18 0.711 -3.138 -16.580 1.00 0.00 H new ATOM 0 HA GLU A 18 2.427 -2.082 -14.396 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.972 -0.704 -16.678 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.505 0.166 -15.253 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.847 -0.577 -15.706 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.292 -1.376 -17.164 1.00 0.00 H new ATOM 264 N ASP A 19 0.165 -2.811 -13.236 1.00 0.00 N ATOM 265 CA ASP A 19 -1.003 -2.845 -12.353 1.00 0.00 C ATOM 266 C ASP A 19 -0.719 -2.267 -10.962 1.00 0.00 C ATOM 267 O ASP A 19 0.329 -1.667 -10.730 1.00 0.00 O ATOM 268 CB ASP A 19 -1.529 -4.281 -12.251 1.00 0.00 C ATOM 269 CG ASP A 19 -1.026 -5.046 -11.042 1.00 0.00 C ATOM 270 OD1 ASP A 19 0.131 -4.828 -10.639 1.00 0.00 O ATOM 271 OD2 ASP A 19 -1.797 -5.867 -10.502 1.00 0.00 O ATOM 0 H ASP A 19 0.840 -3.557 -13.070 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.766 -2.205 -12.796 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.618 -4.255 -12.222 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.247 -4.824 -13.153 1.00 0.00 H new ATOM 276 N ARG A 20 -1.679 -2.447 -10.045 1.00 0.00 N ATOM 277 CA ARG A 20 -1.550 -1.941 -8.680 1.00 0.00 C ATOM 278 C ARG A 20 -2.098 -2.942 -7.661 1.00 0.00 C ATOM 279 O ARG A 20 -3.301 -3.197 -7.614 1.00 0.00 O ATOM 280 CB ARG A 20 -2.303 -0.625 -8.542 1.00 0.00 C ATOM 281 CG ARG A 20 -1.699 0.328 -7.527 1.00 0.00 C ATOM 282 CD ARG A 20 -1.038 1.523 -8.193 1.00 0.00 C ATOM 283 NE ARG A 20 -0.580 2.510 -7.220 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.287 3.771 -7.527 1.00 0.00 C ATOM 285 NH1 ARG A 20 -0.388 4.196 -8.780 1.00 0.00 N ATOM 286 NH2 ARG A 20 0.109 4.609 -6.578 1.00 0.00 N ATOM 0 H ARG A 20 -2.553 -2.940 -10.228 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.490 -1.788 -8.480 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.334 -0.132 -9.514 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.334 -0.836 -8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.477 0.676 -6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.963 -0.204 -6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.192 1.183 -8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.744 1.991 -8.879 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.479 2.216 -6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.691 3.555 -9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.162 5.164 -9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.189 4.286 -5.614 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.334 5.576 -6.813 1.00 0.00 H new ATOM 300 N VAL A 21 -1.216 -3.484 -6.829 1.00 0.00 N ATOM 301 CA VAL A 21 -1.611 -4.432 -5.788 1.00 0.00 C ATOM 302 C VAL A 21 -1.855 -3.740 -4.444 1.00 0.00 C ATOM 303 O VAL A 21 -1.412 -2.612 -4.229 1.00 0.00 O ATOM 304 CB VAL A 21 -0.537 -5.520 -5.592 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.346 -6.324 -6.866 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.774 -4.898 -5.146 1.00 0.00 C ATOM 0 H VAL A 21 -0.216 -3.283 -6.854 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.542 -4.887 -6.126 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.877 -6.201 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.417 -7.086 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.286 -6.804 -7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.031 -5.660 -7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.521 -5.680 -5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.118 -4.193 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.625 -4.373 -4.202 1.00 0.00 H new ATOM 316 N THR A 22 -2.514 -4.446 -3.520 1.00 0.00 N ATOM 317 CA THR A 22 -2.754 -3.919 -2.179 1.00 0.00 C ATOM 318 C THR A 22 -2.018 -4.794 -1.174 1.00 0.00 C ATOM 319 O THR A 22 -2.331 -5.973 -1.025 1.00 0.00 O ATOM 320 CB THR A 22 -4.246 -3.881 -1.849 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.939 -3.036 -2.747 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.524 -3.392 -0.441 1.00 0.00 C ATOM 0 H THR A 22 -2.889 -5.381 -3.678 1.00 0.00 H new ATOM 0 HA THR A 22 -2.385 -2.895 -2.132 1.00 0.00 H new ATOM 0 HB THR A 22 -4.594 -4.910 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.892 -3.028 -2.519 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.599 -3.386 -0.264 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.041 -4.056 0.277 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.131 -2.382 -0.322 1.00 0.00 H new ATOM 330 N ILE A 23 -1.013 -4.233 -0.516 1.00 0.00 N ATOM 331 CA ILE A 23 -0.220 -5.007 0.428 1.00 0.00 C ATOM 332 C ILE A 23 -0.057 -4.316 1.785 1.00 0.00 C ATOM 333 O ILE A 23 -0.049 -3.090 1.881 1.00 0.00 O ATOM 334 CB ILE A 23 1.181 -5.271 -0.151 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.823 -3.955 -0.585 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.106 -6.236 -1.325 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.329 -3.944 -0.465 1.00 0.00 C ATOM 0 H ILE A 23 -0.730 -3.258 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.762 -5.939 0.587 1.00 0.00 H new ATOM 0 HB ILE A 23 1.797 -5.726 0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.549 -3.751 -1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.414 -3.145 0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.108 -6.408 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.679 -7.182 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.477 -5.810 -2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.713 -2.977 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.613 -4.116 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.750 -4.731 -1.091 1.00 0.00 H new ATOM 349 N ASP A 24 0.118 -5.136 2.820 1.00 0.00 N ATOM 350 CA ASP A 24 0.337 -4.659 4.184 1.00 0.00 C ATOM 351 C ASP A 24 1.684 -5.201 4.661 1.00 0.00 C ATOM 352 O ASP A 24 1.918 -6.408 4.597 1.00 0.00 O ATOM 353 CB ASP A 24 -0.779 -5.143 5.118 1.00 0.00 C ATOM 354 CG ASP A 24 -1.038 -6.631 4.995 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.413 -7.078 3.890 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.867 -7.349 6.002 1.00 0.00 O ATOM 0 H ASP A 24 0.112 -6.152 2.736 1.00 0.00 H new ATOM 0 HA ASP A 24 0.333 -3.569 4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.512 -4.908 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.696 -4.599 4.894 1.00 0.00 H new ATOM 361 N PHE A 25 2.585 -4.329 5.102 1.00 0.00 N ATOM 362 CA PHE A 25 3.906 -4.791 5.530 1.00 0.00 C ATOM 363 C PHE A 25 4.438 -4.044 6.743 1.00 0.00 C ATOM 364 O PHE A 25 3.902 -3.019 7.153 1.00 0.00 O ATOM 365 CB PHE A 25 4.905 -4.650 4.380 1.00 0.00 C ATOM 366 CG PHE A 25 5.273 -3.223 4.073 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.173 -2.534 4.876 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.700 -2.563 3.002 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.490 -1.212 4.610 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.010 -1.244 2.739 1.00 0.00 C ATOM 371 CZ PHE A 25 5.901 -0.570 3.541 1.00 0.00 C ATOM 0 H PHE A 25 2.434 -3.323 5.173 1.00 0.00 H new ATOM 0 HA PHE A 25 3.790 -5.836 5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.810 -5.205 4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.483 -5.108 3.485 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.630 -3.034 5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.002 -3.085 2.364 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.195 -0.687 5.237 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.552 -0.740 1.901 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.140 0.463 3.334 1.00 0.00 H new ATOM 381 N THR A 26 5.517 -4.582 7.301 1.00 0.00 N ATOM 382 CA THR A 26 6.167 -3.991 8.466 1.00 0.00 C ATOM 383 C THR A 26 7.663 -4.303 8.462 1.00 0.00 C ATOM 384 O THR A 26 8.058 -5.467 8.540 1.00 0.00 O ATOM 385 CB THR A 26 5.533 -4.519 9.754 1.00 0.00 C ATOM 386 OG1 THR A 26 4.142 -4.251 9.775 1.00 0.00 O ATOM 387 CG2 THR A 26 6.138 -3.921 11.006 1.00 0.00 C ATOM 0 H THR A 26 5.963 -5.434 6.962 1.00 0.00 H new ATOM 0 HA THR A 26 6.032 -2.910 8.420 1.00 0.00 H new ATOM 0 HB THR A 26 5.726 -5.592 9.754 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.755 -4.598 10.606 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.644 -4.337 11.884 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.202 -4.155 11.044 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.005 -2.839 10.994 1.00 0.00 H new ATOM 395 N GLY A 27 8.491 -3.265 8.366 1.00 0.00 N ATOM 396 CA GLY A 27 9.929 -3.475 8.348 1.00 0.00 C ATOM 397 C GLY A 27 10.720 -2.234 8.707 1.00 0.00 C ATOM 398 O GLY A 27 10.182 -1.130 8.747 1.00 0.00 O ATOM 0 H GLY A 27 8.195 -2.291 8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.181 -4.273 9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.227 -3.813 7.356 1.00 0.00 H new ATOM 402 N SER A 28 12.006 -2.425 8.976 1.00 0.00 N ATOM 403 CA SER A 28 12.891 -1.322 9.343 1.00 0.00 C ATOM 404 C SER A 28 13.899 -1.022 8.239 1.00 0.00 C ATOM 405 O SER A 28 14.016 -1.767 7.267 1.00 0.00 O ATOM 406 CB SER A 28 13.644 -1.662 10.631 1.00 0.00 C ATOM 407 OG SER A 28 12.977 -2.674 11.363 1.00 0.00 O ATOM 0 H SER A 28 12.462 -3.337 8.947 1.00 0.00 H new ATOM 0 HA SER A 28 12.271 -0.438 9.494 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.654 -1.991 10.388 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.739 -0.767 11.246 1.00 0.00 H new ATOM 0 HG SER A 28 13.481 -2.873 12.180 1.00 0.00 H new ATOM 413 N VAL A 29 14.638 0.070 8.421 1.00 0.00 N ATOM 414 CA VAL A 29 15.659 0.482 7.467 1.00 0.00 C ATOM 415 C VAL A 29 17.059 0.317 8.058 1.00 0.00 C ATOM 416 O VAL A 29 17.798 -0.588 7.668 1.00 0.00 O ATOM 417 CB VAL A 29 15.440 1.940 6.972 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.102 2.890 8.118 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.654 2.447 6.197 1.00 0.00 C ATOM 0 H VAL A 29 14.546 0.688 9.227 1.00 0.00 H new ATOM 0 HA VAL A 29 15.570 -0.173 6.600 1.00 0.00 H new ATOM 0 HB VAL A 29 14.583 1.920 6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.958 3.897 7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.187 2.557 8.609 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.919 2.896 8.839 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.472 3.469 5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.532 2.427 6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.826 1.808 5.331 1.00 0.00 H new ATOM 429 N ASP A 30 17.423 1.179 9.001 1.00 0.00 N ATOM 430 CA ASP A 30 18.731 1.099 9.634 1.00 0.00 C ATOM 431 C ASP A 30 18.647 0.318 10.939 1.00 0.00 C ATOM 432 O ASP A 30 19.349 0.622 11.903 1.00 0.00 O ATOM 433 CB ASP A 30 19.285 2.502 9.893 1.00 0.00 C ATOM 434 CG ASP A 30 20.757 2.617 9.547 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.071 2.930 8.380 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.596 2.392 10.445 1.00 0.00 O ATOM 0 H ASP A 30 16.832 1.938 9.342 1.00 0.00 H new ATOM 0 HA ASP A 30 19.407 0.575 8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.719 3.227 9.307 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.140 2.758 10.943 1.00 0.00 H new ATOM 441 N GLY A 31 17.768 -0.682 10.970 1.00 0.00 N ATOM 442 CA GLY A 31 17.595 -1.475 12.170 1.00 0.00 C ATOM 443 C GLY A 31 16.430 -0.988 13.012 1.00 0.00 C ATOM 444 O GLY A 31 16.043 -1.638 13.983 1.00 0.00 O ATOM 0 H GLY A 31 17.175 -0.954 10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.433 -2.517 11.895 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.509 -1.440 12.762 1.00 0.00 H new ATOM 448 N GLU A 32 15.867 0.159 12.633 1.00 0.00 N ATOM 449 CA GLU A 32 14.738 0.734 13.350 1.00 0.00 C ATOM 450 C GLU A 32 13.676 1.213 12.369 1.00 0.00 C ATOM 451 O GLU A 32 13.921 2.097 11.549 1.00 0.00 O ATOM 452 CB GLU A 32 15.203 1.892 14.233 1.00 0.00 C ATOM 453 CG GLU A 32 16.301 1.502 15.207 1.00 0.00 C ATOM 454 CD GLU A 32 16.635 2.609 16.186 1.00 0.00 C ATOM 455 OE1 GLU A 32 17.436 3.498 15.825 1.00 0.00 O ATOM 456 OE2 GLU A 32 16.097 2.587 17.314 1.00 0.00 O ATOM 0 H GLU A 32 16.178 0.707 11.831 1.00 0.00 H new ATOM 0 HA GLU A 32 14.303 -0.037 13.986 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.561 2.703 13.598 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.351 2.278 14.793 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.992 0.615 15.760 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.198 1.234 14.649 1.00 0.00 H new ATOM 463 N GLU A 33 12.498 0.605 12.452 1.00 0.00 N ATOM 464 CA GLU A 33 11.395 0.938 11.573 1.00 0.00 C ATOM 465 C GLU A 33 11.058 2.411 11.670 1.00 0.00 C ATOM 466 O GLU A 33 10.736 2.921 12.743 1.00 0.00 O ATOM 467 CB GLU A 33 10.173 0.088 11.925 1.00 0.00 C ATOM 468 CG GLU A 33 9.786 0.160 13.392 1.00 0.00 C ATOM 469 CD GLU A 33 10.326 -1.007 14.194 1.00 0.00 C ATOM 470 OE1 GLU A 33 10.368 -2.131 13.651 1.00 0.00 O ATOM 471 OE2 GLU A 33 10.709 -0.798 15.364 1.00 0.00 O ATOM 0 H GLU A 33 12.286 -0.128 13.129 1.00 0.00 H new ATOM 0 HA GLU A 33 11.692 0.724 10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.328 0.413 11.318 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.375 -0.950 11.661 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.159 1.092 13.817 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.700 0.183 13.477 1.00 0.00 H new ATOM 478 N PHE A 34 11.162 3.095 10.545 1.00 0.00 N ATOM 479 CA PHE A 34 10.900 4.534 10.482 1.00 0.00 C ATOM 480 C PHE A 34 9.408 4.846 10.351 1.00 0.00 C ATOM 481 O PHE A 34 8.580 4.253 11.040 1.00 0.00 O ATOM 482 CB PHE A 34 11.712 5.146 9.323 1.00 0.00 C ATOM 483 CG PHE A 34 11.211 4.809 7.938 1.00 0.00 C ATOM 484 CD1 PHE A 34 10.462 3.667 7.694 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.495 5.653 6.874 1.00 0.00 C ATOM 486 CE1 PHE A 34 10.010 3.375 6.424 1.00 0.00 C ATOM 487 CE2 PHE A 34 11.043 5.365 5.600 1.00 0.00 C ATOM 488 CZ PHE A 34 10.300 4.225 5.374 1.00 0.00 C ATOM 0 H PHE A 34 11.428 2.679 9.652 1.00 0.00 H new ATOM 0 HA PHE A 34 11.219 4.986 11.421 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.716 6.230 9.437 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.746 4.812 9.409 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.230 2.998 8.509 1.00 0.00 H new ATOM 0 HD2 PHE A 34 12.077 6.547 7.044 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.429 2.481 6.250 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.271 6.032 4.782 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.946 3.998 4.379 1.00 0.00 H new ATOM 498 N GLU A 35 9.075 5.760 9.458 1.00 0.00 N ATOM 499 CA GLU A 35 7.686 6.144 9.216 1.00 0.00 C ATOM 500 C GLU A 35 6.926 5.018 8.520 1.00 0.00 C ATOM 501 O GLU A 35 5.893 4.556 9.005 1.00 0.00 O ATOM 502 CB GLU A 35 7.625 7.415 8.367 1.00 0.00 C ATOM 503 CG GLU A 35 7.620 8.695 9.185 1.00 0.00 C ATOM 504 CD GLU A 35 7.530 9.939 8.325 1.00 0.00 C ATOM 505 OE1 GLU A 35 6.773 9.919 7.330 1.00 0.00 O ATOM 506 OE2 GLU A 35 8.214 10.934 8.644 1.00 0.00 O ATOM 0 H GLU A 35 9.752 6.258 8.880 1.00 0.00 H new ATOM 0 HA GLU A 35 7.215 6.337 10.180 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.479 7.430 7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.728 7.386 7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.778 8.675 9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.527 8.740 9.787 1.00 0.00 H new ATOM 513 N GLY A 36 7.453 4.581 7.378 1.00 0.00 N ATOM 514 CA GLY A 36 6.825 3.507 6.623 1.00 0.00 C ATOM 515 C GLY A 36 7.145 2.137 7.180 1.00 0.00 C ATOM 516 O GLY A 36 6.852 1.122 6.546 1.00 0.00 O ATOM 0 H GLY A 36 8.306 4.952 6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.745 3.652 6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.153 3.558 5.585 1.00 0.00 H new ATOM 520 N GLY A 37 7.744 2.097 8.366 1.00 0.00 N ATOM 521 CA GLY A 37 8.085 0.833 8.976 1.00 0.00 C ATOM 522 C GLY A 37 6.888 -0.084 9.154 1.00 0.00 C ATOM 523 O GLY A 37 7.048 -1.258 9.486 1.00 0.00 O ATOM 0 H GLY A 37 7.998 2.920 8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.832 0.330 8.362 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.542 1.017 9.948 1.00 0.00 H new ATOM 527 N LYS A 38 5.689 0.444 8.924 1.00 0.00 N ATOM 528 CA LYS A 38 4.476 -0.347 9.050 1.00 0.00 C ATOM 529 C LYS A 38 3.393 0.177 8.115 1.00 0.00 C ATOM 530 O LYS A 38 2.984 1.335 8.202 1.00 0.00 O ATOM 531 CB LYS A 38 3.971 -0.339 10.492 1.00 0.00 C ATOM 532 CG LYS A 38 3.681 1.052 11.029 1.00 0.00 C ATOM 533 CD LYS A 38 4.055 1.166 12.497 1.00 0.00 C ATOM 534 CE LYS A 38 5.540 0.927 12.712 1.00 0.00 C ATOM 535 NZ LYS A 38 5.794 -0.082 13.777 1.00 0.00 N ATOM 0 H LYS A 38 5.535 1.414 8.650 1.00 0.00 H new ATOM 0 HA LYS A 38 4.714 -1.373 8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.063 -0.939 10.553 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.713 -0.818 11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.237 1.790 10.451 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.623 1.280 10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.787 2.156 12.866 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.481 0.443 13.077 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.992 0.591 11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.023 1.866 12.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.682 0.148 14.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.009 -0.072 14.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.869 -1.027 13.349 1.00 0.00 H new ATOM 549 N ALA A 39 2.930 -0.691 7.229 1.00 0.00 N ATOM 550 CA ALA A 39 1.889 -0.341 6.275 1.00 0.00 C ATOM 551 C ALA A 39 0.824 -1.425 6.231 1.00 0.00 C ATOM 552 O ALA A 39 1.125 -2.612 6.369 1.00 0.00 O ATOM 553 CB ALA A 39 2.480 -0.127 4.887 1.00 0.00 C ATOM 0 H ALA A 39 3.263 -1.652 7.151 1.00 0.00 H new ATOM 0 HA ALA A 39 1.427 0.591 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.684 0.134 4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.210 0.681 4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.969 -1.043 4.554 1.00 0.00 H new ATOM 559 N SER A 40 -0.421 -1.017 6.045 1.00 0.00 N ATOM 560 CA SER A 40 -1.527 -1.959 5.990 1.00 0.00 C ATOM 561 C SER A 40 -2.141 -1.998 4.600 1.00 0.00 C ATOM 562 O SER A 40 -2.132 -3.029 3.932 1.00 0.00 O ATOM 563 CB SER A 40 -2.598 -1.587 7.016 1.00 0.00 C ATOM 564 OG SER A 40 -2.052 -1.507 8.321 1.00 0.00 O ATOM 0 H SER A 40 -0.691 -0.040 5.930 1.00 0.00 H new ATOM 0 HA SER A 40 -1.134 -2.948 6.225 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.046 -0.630 6.747 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.396 -2.329 6.998 1.00 0.00 H new ATOM 0 HG SER A 40 -2.758 -1.266 8.957 1.00 0.00 H new ATOM 570 N ASP A 41 -2.621 -0.857 4.140 1.00 0.00 N ATOM 571 CA ASP A 41 -3.178 -0.736 2.812 1.00 0.00 C ATOM 572 C ASP A 41 -2.158 -0.052 1.921 1.00 0.00 C ATOM 573 O ASP A 41 -2.344 1.100 1.527 1.00 0.00 O ATOM 574 CB ASP A 41 -4.484 0.061 2.839 1.00 0.00 C ATOM 575 CG ASP A 41 -5.610 -0.696 3.517 1.00 0.00 C ATOM 576 OD1 ASP A 41 -5.345 -1.362 4.539 1.00 0.00 O ATOM 577 OD2 ASP A 41 -6.755 -0.626 3.023 1.00 0.00 O ATOM 0 H ASP A 41 -2.634 0.009 4.679 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.406 -1.728 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.320 1.005 3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.778 0.306 1.818 1.00 0.00 H new ATOM 582 N PHE A 42 -1.086 -0.749 1.592 1.00 0.00 N ATOM 583 CA PHE A 42 -0.062 -0.172 0.732 1.00 0.00 C ATOM 584 C PHE A 42 -0.367 -0.504 -0.718 1.00 0.00 C ATOM 585 O PHE A 42 -0.218 -1.647 -1.150 1.00 0.00 O ATOM 586 CB PHE A 42 1.342 -0.666 1.118 1.00 0.00 C ATOM 587 CG PHE A 42 2.457 0.082 0.428 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.357 1.446 0.208 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.603 -0.576 -0.002 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.373 2.139 -0.422 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.622 0.112 -0.634 1.00 0.00 C ATOM 592 CZ PHE A 42 4.506 1.471 -0.843 1.00 0.00 C ATOM 0 H PHE A 42 -0.900 -1.703 1.901 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.073 0.910 0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.467 -0.573 2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.424 -1.726 0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.473 1.975 0.533 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.699 -1.640 0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.281 3.203 -0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.507 -0.413 -0.963 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.301 2.012 -1.335 1.00 0.00 H new ATOM 602 N VAL A 43 -0.809 0.501 -1.463 1.00 0.00 N ATOM 603 CA VAL A 43 -1.151 0.322 -2.859 1.00 0.00 C ATOM 604 C VAL A 43 0.092 0.412 -3.734 1.00 0.00 C ATOM 605 O VAL A 43 0.563 1.502 -4.058 1.00 0.00 O ATOM 606 CB VAL A 43 -2.175 1.378 -3.307 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.673 1.077 -4.708 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.338 1.450 -2.328 1.00 0.00 C ATOM 0 H VAL A 43 -0.938 1.452 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.591 -0.669 -2.971 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.681 2.349 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.397 1.835 -5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.833 1.083 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.148 0.096 -4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.050 2.203 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.832 0.480 -2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.965 1.719 -1.340 1.00 0.00 H new ATOM 618 N LEU A 44 0.625 -0.746 -4.098 1.00 0.00 N ATOM 619 CA LEU A 44 1.823 -0.816 -4.917 1.00 0.00 C ATOM 620 C LEU A 44 1.482 -0.835 -6.398 1.00 0.00 C ATOM 621 O LEU A 44 0.611 -1.584 -6.832 1.00 0.00 O ATOM 622 CB LEU A 44 2.627 -2.066 -4.564 1.00 0.00 C ATOM 623 CG LEU A 44 4.073 -1.808 -4.153 1.00 0.00 C ATOM 624 CD1 LEU A 44 4.810 -3.121 -3.981 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.776 -0.929 -5.178 1.00 0.00 C ATOM 0 H LEU A 44 0.242 -1.654 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 44 2.418 0.074 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.122 -2.587 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.624 -2.737 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 44 4.073 -1.281 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.841 -2.924 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.320 -3.715 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.799 -3.670 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.806 -0.758 -4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.769 -1.425 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.257 0.026 -5.255 1.00 0.00 H new ATOM 637 N ALA A 45 2.197 -0.025 -7.167 1.00 0.00 N ATOM 638 CA ALA A 45 1.993 0.044 -8.607 1.00 0.00 C ATOM 639 C ALA A 45 3.053 -0.781 -9.326 1.00 0.00 C ATOM 640 O ALA A 45 4.208 -0.367 -9.427 1.00 0.00 O ATOM 641 CB ALA A 45 2.042 1.490 -9.078 1.00 0.00 C ATOM 0 H ALA A 45 2.926 0.596 -6.816 1.00 0.00 H new ATOM 0 HA ALA A 45 1.010 -0.365 -8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.888 1.527 -10.156 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.259 2.062 -8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.014 1.919 -8.835 1.00 0.00 H new ATOM 647 N MET A 46 2.664 -1.951 -9.819 1.00 0.00 N ATOM 648 CA MET A 46 3.602 -2.824 -10.517 1.00 0.00 C ATOM 649 C MET A 46 3.964 -2.259 -11.882 1.00 0.00 C ATOM 650 O MET A 46 3.344 -2.596 -12.889 1.00 0.00 O ATOM 651 CB MET A 46 3.021 -4.229 -10.663 1.00 0.00 C ATOM 652 CG MET A 46 3.599 -5.224 -9.671 1.00 0.00 C ATOM 653 SD MET A 46 5.332 -5.600 -9.993 1.00 0.00 S ATOM 654 CE MET A 46 5.195 -6.528 -11.518 1.00 0.00 C ATOM 0 H MET A 46 1.714 -2.316 -9.750 1.00 0.00 H new ATOM 0 HA MET A 46 4.512 -2.882 -9.920 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.940 -4.183 -10.533 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.205 -4.587 -11.676 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.500 -4.824 -8.662 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.019 -6.146 -9.707 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.769 -7.451 -11.435 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.148 -6.768 -11.705 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.584 -5.931 -12.343 1.00 0.00 H new ATOM 664 N GLY A 47 4.982 -1.405 -11.893 1.00 0.00 N ATOM 665 CA GLY A 47 5.441 -0.795 -13.129 1.00 0.00 C ATOM 666 C GLY A 47 5.027 0.659 -13.258 1.00 0.00 C ATOM 667 O GLY A 47 4.418 1.053 -14.252 1.00 0.00 O ATOM 0 H GLY A 47 5.501 -1.122 -11.062 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.528 -0.864 -13.181 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.045 -1.357 -13.975 1.00 0.00 H new ATOM 671 N GLN A 48 5.369 1.455 -12.254 1.00 0.00 N ATOM 672 CA GLN A 48 5.049 2.877 -12.249 1.00 0.00 C ATOM 673 C GLN A 48 6.293 3.683 -11.903 1.00 0.00 C ATOM 674 O GLN A 48 6.882 4.338 -12.762 1.00 0.00 O ATOM 675 CB GLN A 48 3.930 3.168 -11.244 1.00 0.00 C ATOM 676 CG GLN A 48 3.460 4.614 -11.249 1.00 0.00 C ATOM 677 CD GLN A 48 3.750 5.325 -9.941 1.00 0.00 C ATOM 678 OE1 GLN A 48 4.906 5.570 -9.597 1.00 0.00 O ATOM 679 NE2 GLN A 48 2.697 5.661 -9.206 1.00 0.00 N ATOM 0 H GLN A 48 5.872 1.137 -11.426 1.00 0.00 H new ATOM 0 HA GLN A 48 4.703 3.166 -13.242 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.081 2.519 -11.462 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.278 2.913 -10.243 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.948 5.148 -12.065 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.388 4.643 -11.445 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.756 5.438 -9.531 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.829 6.142 -8.316 1.00 0.00 H new ATOM 688 N GLY A 49 6.701 3.600 -10.642 1.00 0.00 N ATOM 689 CA GLY A 49 7.891 4.298 -10.200 1.00 0.00 C ATOM 690 C GLY A 49 9.080 3.363 -10.127 1.00 0.00 C ATOM 691 O GLY A 49 9.563 3.053 -9.041 1.00 0.00 O ATOM 0 H GLY A 49 6.227 3.060 -9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.111 5.117 -10.885 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.713 4.741 -9.220 1.00 0.00 H new ATOM 695 N ARG A 50 9.533 2.897 -11.291 1.00 0.00 N ATOM 696 CA ARG A 50 10.663 1.970 -11.383 1.00 0.00 C ATOM 697 C ARG A 50 10.644 0.941 -10.252 1.00 0.00 C ATOM 698 O ARG A 50 11.511 0.943 -9.377 1.00 0.00 O ATOM 699 CB ARG A 50 11.990 2.736 -11.392 1.00 0.00 C ATOM 700 CG ARG A 50 12.343 3.399 -10.068 1.00 0.00 C ATOM 701 CD ARG A 50 13.698 2.935 -9.559 1.00 0.00 C ATOM 702 NE ARG A 50 14.701 2.911 -10.622 1.00 0.00 N ATOM 703 CZ ARG A 50 15.592 1.934 -10.789 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.626 0.898 -9.957 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.456 1.994 -11.794 1.00 0.00 N ATOM 0 H ARG A 50 9.130 3.150 -12.193 1.00 0.00 H new ATOM 0 HA ARG A 50 10.566 1.427 -12.323 1.00 0.00 H new ATOM 0 HB2 ARG A 50 12.791 2.048 -11.665 1.00 0.00 H new ATOM 0 HB3 ARG A 50 11.949 3.501 -12.168 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.351 4.482 -10.192 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.576 3.169 -9.328 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.032 3.597 -8.760 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.602 1.938 -9.128 1.00 0.00 H new ATOM 0 HE ARG A 50 14.720 3.692 -11.278 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.966 0.845 -9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.312 0.156 -10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.437 2.786 -12.436 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.139 1.248 -11.924 1.00 0.00 H new ATOM 719 N MET A 51 9.650 0.057 -10.283 1.00 0.00 N ATOM 720 CA MET A 51 9.515 -0.983 -9.267 1.00 0.00 C ATOM 721 C MET A 51 10.846 -1.686 -9.023 1.00 0.00 C ATOM 722 O MET A 51 11.374 -2.365 -9.904 1.00 0.00 O ATOM 723 CB MET A 51 8.455 -2.005 -9.691 1.00 0.00 C ATOM 724 CG MET A 51 7.824 -2.747 -8.524 1.00 0.00 C ATOM 725 SD MET A 51 6.214 -2.076 -8.061 1.00 0.00 S ATOM 726 CE MET A 51 6.676 -0.443 -7.493 1.00 0.00 C ATOM 0 H MET A 51 8.926 0.040 -11.001 1.00 0.00 H new ATOM 0 HA MET A 51 9.202 -0.507 -8.337 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.672 -1.493 -10.251 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.910 -2.729 -10.367 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.713 -3.799 -8.785 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.493 -2.701 -7.665 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.790 0.083 -7.139 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.395 -0.531 -6.679 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.125 0.115 -8.315 1.00 0.00 H new ATOM 736 N ILE A 52 11.379 -1.521 -7.818 1.00 0.00 N ATOM 737 CA ILE A 52 12.647 -2.144 -7.450 1.00 0.00 C ATOM 738 C ILE A 52 12.495 -3.657 -7.345 1.00 0.00 C ATOM 739 O ILE A 52 11.387 -4.167 -7.177 1.00 0.00 O ATOM 740 CB ILE A 52 13.208 -1.599 -6.114 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.080 -1.183 -5.162 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.143 -0.428 -6.374 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.559 -0.843 -3.767 1.00 0.00 C ATOM 0 H ILE A 52 10.954 -0.961 -7.079 1.00 0.00 H new ATOM 0 HA ILE A 52 13.353 -1.895 -8.242 1.00 0.00 H new ATOM 0 HB ILE A 52 13.770 -2.400 -5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.563 -0.319 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.351 -1.991 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.530 -0.054 -5.426 1.00 0.00 H new ATOM 0 HG22 ILE A 52 14.972 -0.757 -7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.597 0.367 -6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.707 -0.558 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.050 -1.712 -3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.265 -0.014 -3.817 1.00 0.00 H new ATOM 755 N PRO A 53 13.611 -4.402 -7.430 1.00 0.00 N ATOM 756 CA PRO A 53 13.585 -5.861 -7.329 1.00 0.00 C ATOM 757 C PRO A 53 12.987 -6.325 -6.007 1.00 0.00 C ATOM 758 O PRO A 53 12.558 -7.469 -5.874 1.00 0.00 O ATOM 759 CB PRO A 53 15.062 -6.268 -7.420 1.00 0.00 C ATOM 760 CG PRO A 53 15.830 -5.023 -7.128 1.00 0.00 C ATOM 761 CD PRO A 53 14.976 -3.888 -7.616 1.00 0.00 C ATOM 0 HA PRO A 53 12.967 -6.311 -8.106 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.299 -7.054 -6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.303 -6.656 -8.410 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.031 -4.930 -6.061 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.795 -5.032 -7.635 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.147 -2.978 -7.041 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.179 -3.649 -8.660 1.00 0.00 H new ATOM 769 N GLY A 54 12.961 -5.424 -5.028 1.00 0.00 N ATOM 770 CA GLY A 54 12.416 -5.753 -3.726 1.00 0.00 C ATOM 771 C GLY A 54 10.919 -5.980 -3.758 1.00 0.00 C ATOM 772 O GLY A 54 10.440 -7.077 -3.455 1.00 0.00 O ATOM 0 H GLY A 54 13.309 -4.469 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.907 -6.649 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.642 -4.947 -3.028 1.00 0.00 H new ATOM 776 N PHE A 55 10.173 -4.946 -4.130 1.00 0.00 N ATOM 777 CA PHE A 55 8.729 -5.048 -4.195 1.00 0.00 C ATOM 778 C PHE A 55 8.306 -5.890 -5.391 1.00 0.00 C ATOM 779 O PHE A 55 7.429 -6.748 -5.283 1.00 0.00 O ATOM 780 CB PHE A 55 8.087 -3.662 -4.298 1.00 0.00 C ATOM 781 CG PHE A 55 8.093 -2.866 -3.019 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.296 -3.234 -1.943 1.00 0.00 C ATOM 783 CD2 PHE A 55 8.881 -1.734 -2.901 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.289 -2.495 -0.784 1.00 0.00 C ATOM 785 CE2 PHE A 55 8.878 -0.990 -1.737 1.00 0.00 C ATOM 786 CZ PHE A 55 8.081 -1.370 -0.679 1.00 0.00 C ATOM 0 H PHE A 55 10.547 -4.033 -4.389 1.00 0.00 H new ATOM 0 HA PHE A 55 8.389 -5.528 -3.277 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.609 -3.092 -5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.056 -3.779 -4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.673 -4.113 -2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.505 -1.429 -3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.664 -2.795 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.500 -0.111 -1.656 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.076 -0.788 0.231 1.00 0.00 H new ATOM 796 N GLU A 56 8.939 -5.636 -6.530 1.00 0.00 N ATOM 797 CA GLU A 56 8.636 -6.365 -7.753 1.00 0.00 C ATOM 798 C GLU A 56 8.743 -7.871 -7.534 1.00 0.00 C ATOM 799 O GLU A 56 8.151 -8.651 -8.274 1.00 0.00 O ATOM 800 CB GLU A 56 9.586 -5.935 -8.872 1.00 0.00 C ATOM 801 CG GLU A 56 9.179 -6.451 -10.242 1.00 0.00 C ATOM 802 CD GLU A 56 9.609 -5.524 -11.364 1.00 0.00 C ATOM 803 OE1 GLU A 56 10.823 -5.463 -11.650 1.00 0.00 O ATOM 804 OE2 GLU A 56 8.730 -4.864 -11.955 1.00 0.00 O ATOM 0 H GLU A 56 9.667 -4.929 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 56 7.611 -6.131 -8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.632 -4.846 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.590 -6.290 -8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.618 -7.436 -10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.097 -6.576 -10.273 1.00 0.00 H new ATOM 811 N ASP A 57 9.503 -8.272 -6.519 1.00 0.00 N ATOM 812 CA ASP A 57 9.680 -9.686 -6.215 1.00 0.00 C ATOM 813 C ASP A 57 8.488 -10.237 -5.434 1.00 0.00 C ATOM 814 O ASP A 57 7.661 -10.962 -5.985 1.00 0.00 O ATOM 815 CB ASP A 57 10.977 -9.910 -5.433 1.00 0.00 C ATOM 816 CG ASP A 57 11.315 -11.380 -5.280 1.00 0.00 C ATOM 817 OD1 ASP A 57 10.455 -12.140 -4.791 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.444 -11.768 -5.650 1.00 0.00 O ATOM 0 H ASP A 57 10.004 -7.639 -5.896 1.00 0.00 H new ATOM 0 HA ASP A 57 9.743 -10.225 -7.160 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.797 -9.403 -5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.886 -9.457 -4.446 1.00 0.00 H new ATOM 823 N GLY A 58 8.413 -9.910 -4.143 1.00 0.00 N ATOM 824 CA GLY A 58 7.324 -10.407 -3.321 1.00 0.00 C ATOM 825 C GLY A 58 5.980 -9.906 -3.790 1.00 0.00 C ATOM 826 O GLY A 58 5.080 -10.691 -4.088 1.00 0.00 O ATOM 0 H GLY A 58 9.083 -9.314 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.329 -11.497 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.483 -10.101 -2.287 1.00 0.00 H new ATOM 830 N ILE A 59 5.852 -8.592 -3.869 1.00 0.00 N ATOM 831 CA ILE A 59 4.638 -7.946 -4.312 1.00 0.00 C ATOM 832 C ILE A 59 4.512 -8.013 -5.820 1.00 0.00 C ATOM 833 O ILE A 59 4.023 -7.091 -6.474 1.00 0.00 O ATOM 834 CB ILE A 59 4.629 -6.489 -3.836 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.036 -6.424 -2.363 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.263 -5.864 -4.043 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.527 -6.449 -2.134 1.00 0.00 C ATOM 0 H ILE A 59 6.598 -7.941 -3.624 1.00 0.00 H new ATOM 0 HA ILE A 59 3.784 -8.468 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 59 5.349 -5.922 -4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.627 -5.514 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.584 -7.264 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.280 -4.830 -3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.008 -5.889 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.518 -6.423 -3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.732 -6.400 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.942 -7.371 -2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.986 -5.594 -2.631 1.00 0.00 H new ATOM 849 N LYS A 60 4.898 -9.166 -6.334 1.00 0.00 N ATOM 850 CA LYS A 60 4.767 -9.439 -7.751 1.00 0.00 C ATOM 851 C LYS A 60 3.336 -9.072 -8.121 1.00 0.00 C ATOM 852 O LYS A 60 3.076 -8.302 -9.045 1.00 0.00 O ATOM 853 CB LYS A 60 5.033 -10.916 -8.044 1.00 0.00 C ATOM 854 CG LYS A 60 6.421 -11.191 -8.593 1.00 0.00 C ATOM 855 CD LYS A 60 6.424 -11.186 -10.111 1.00 0.00 C ATOM 856 CE LYS A 60 7.705 -10.586 -10.666 1.00 0.00 C ATOM 857 NZ LYS A 60 7.734 -10.621 -12.155 1.00 0.00 N ATOM 0 H LYS A 60 5.305 -9.928 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 60 5.489 -8.865 -8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.895 -11.489 -7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.292 -11.274 -8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.117 -10.438 -8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.774 -12.156 -8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.310 -12.206 -10.479 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.568 -10.618 -10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.801 -9.555 -10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.562 -11.133 -10.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.624 -10.203 -12.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.668 -11.607 -12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.931 -10.078 -12.531 1.00 0.00 H new ATOM 871 N GLY A 61 2.424 -9.683 -7.377 1.00 0.00 N ATOM 872 CA GLY A 61 1.008 -9.505 -7.583 1.00 0.00 C ATOM 873 C GLY A 61 0.419 -10.767 -8.143 1.00 0.00 C ATOM 874 O GLY A 61 -0.311 -10.762 -9.134 1.00 0.00 O ATOM 0 H GLY A 61 2.655 -10.317 -6.612 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.522 -9.252 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.831 -8.674 -8.266 1.00 0.00 H new ATOM 878 N HIS A 62 0.775 -11.867 -7.499 1.00 0.00 N ATOM 879 CA HIS A 62 0.317 -13.185 -7.936 1.00 0.00 C ATOM 880 C HIS A 62 -0.406 -13.946 -6.828 1.00 0.00 C ATOM 881 O HIS A 62 -1.150 -14.888 -7.104 1.00 0.00 O ATOM 882 CB HIS A 62 1.504 -14.010 -8.453 1.00 0.00 C ATOM 883 CG HIS A 62 2.577 -14.256 -7.432 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.111 -15.504 -7.192 1.00 0.00 N ATOM 885 CD2 HIS A 62 3.227 -13.407 -6.596 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.039 -15.415 -6.255 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.128 -14.154 -5.876 1.00 0.00 N ATOM 0 H HIS A 62 1.377 -11.879 -6.675 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.400 -13.027 -8.741 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.135 -14.970 -8.813 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.943 -13.496 -9.308 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.066 -12.342 -6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.625 -16.235 -5.866 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.763 -13.792 -5.164 1.00 0.00 H new ATOM 895 N LYS A 63 -0.190 -13.548 -5.581 1.00 0.00 N ATOM 896 CA LYS A 63 -0.829 -14.216 -4.452 1.00 0.00 C ATOM 897 C LYS A 63 -1.747 -13.263 -3.685 1.00 0.00 C ATOM 898 O LYS A 63 -1.359 -12.702 -2.661 1.00 0.00 O ATOM 899 CB LYS A 63 0.235 -14.785 -3.516 1.00 0.00 C ATOM 900 CG LYS A 63 1.346 -15.535 -4.235 1.00 0.00 C ATOM 901 CD LYS A 63 1.276 -17.033 -3.974 1.00 0.00 C ATOM 902 CE LYS A 63 0.886 -17.800 -5.228 1.00 0.00 C ATOM 903 NZ LYS A 63 2.052 -18.498 -5.835 1.00 0.00 N ATOM 0 H LYS A 63 0.419 -12.771 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.442 -15.028 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.673 -13.970 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.243 -15.457 -2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.276 -15.349 -5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.313 -15.154 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.243 -17.387 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.552 -17.232 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.114 -18.529 -4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.455 -17.112 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.715 -19.237 -6.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.631 -17.813 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.626 -18.932 -5.084 1.00 0.00 H new ATOM 917 N ALA A 64 -2.980 -13.116 -4.164 1.00 0.00 N ATOM 918 CA ALA A 64 -3.961 -12.264 -3.500 1.00 0.00 C ATOM 919 C ALA A 64 -4.226 -12.741 -2.072 1.00 0.00 C ATOM 920 O ALA A 64 -5.023 -13.653 -1.855 1.00 0.00 O ATOM 921 CB ALA A 64 -5.257 -12.230 -4.298 1.00 0.00 C ATOM 0 H ALA A 64 -3.322 -13.575 -5.008 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.554 -11.254 -3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.980 -11.591 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.060 -11.836 -5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.660 -13.239 -4.380 1.00 0.00 H new ATOM 927 N GLY A 65 -3.556 -12.123 -1.102 1.00 0.00 N ATOM 928 CA GLY A 65 -3.741 -12.509 0.290 1.00 0.00 C ATOM 929 C GLY A 65 -2.602 -13.361 0.812 1.00 0.00 C ATOM 930 O GLY A 65 -2.810 -14.266 1.620 1.00 0.00 O ATOM 0 H GLY A 65 -2.891 -11.365 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.831 -11.612 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.677 -13.059 0.390 1.00 0.00 H new ATOM 934 N GLU A 66 -1.393 -13.073 0.339 1.00 0.00 N ATOM 935 CA GLU A 66 -0.207 -13.815 0.752 1.00 0.00 C ATOM 936 C GLU A 66 0.571 -13.075 1.838 1.00 0.00 C ATOM 937 O GLU A 66 0.358 -11.887 2.066 1.00 0.00 O ATOM 938 CB GLU A 66 0.690 -14.059 -0.461 1.00 0.00 C ATOM 939 CG GLU A 66 1.978 -14.805 -0.150 1.00 0.00 C ATOM 940 CD GLU A 66 2.815 -15.065 -1.386 1.00 0.00 C ATOM 941 OE1 GLU A 66 3.190 -14.086 -2.067 1.00 0.00 O ATOM 942 OE2 GLU A 66 3.096 -16.247 -1.676 1.00 0.00 O ATOM 0 H GLU A 66 -1.209 -12.328 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.531 -14.768 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.128 -14.623 -1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.940 -13.099 -0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.564 -14.228 0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.737 -15.755 0.327 1.00 0.00 H new ATOM 949 N GLU A 67 1.488 -13.790 2.485 1.00 0.00 N ATOM 950 CA GLU A 67 2.330 -13.215 3.530 1.00 0.00 C ATOM 951 C GLU A 67 3.791 -13.582 3.272 1.00 0.00 C ATOM 952 O GLU A 67 4.187 -14.738 3.418 1.00 0.00 O ATOM 953 CB GLU A 67 1.886 -13.703 4.914 1.00 0.00 C ATOM 954 CG GLU A 67 1.848 -15.216 5.052 1.00 0.00 C ATOM 955 CD GLU A 67 1.482 -15.664 6.453 1.00 0.00 C ATOM 956 OE1 GLU A 67 0.525 -15.102 7.025 1.00 0.00 O ATOM 957 OE2 GLU A 67 2.155 -16.577 6.980 1.00 0.00 O ATOM 0 H GLU A 67 1.667 -14.777 2.301 1.00 0.00 H new ATOM 0 HA GLU A 67 2.228 -12.130 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.563 -13.297 5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.895 -13.304 5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.127 -15.624 4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.822 -15.626 4.786 1.00 0.00 H new ATOM 964 N PHE A 68 4.582 -12.601 2.848 1.00 0.00 N ATOM 965 CA PHE A 68 5.988 -12.839 2.529 1.00 0.00 C ATOM 966 C PHE A 68 6.870 -11.694 3.011 1.00 0.00 C ATOM 967 O PHE A 68 6.382 -10.624 3.359 1.00 0.00 O ATOM 968 CB PHE A 68 6.152 -13.009 1.027 1.00 0.00 C ATOM 969 CG PHE A 68 5.551 -11.874 0.263 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.266 -10.709 0.061 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.266 -11.967 -0.233 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.705 -9.652 -0.630 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.699 -10.917 -0.920 1.00 0.00 C ATOM 974 CZ PHE A 68 4.419 -9.758 -1.121 1.00 0.00 C ATOM 0 H PHE A 68 4.276 -11.637 2.717 1.00 0.00 H new ATOM 0 HA PHE A 68 6.300 -13.748 3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.212 -13.087 0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.684 -13.943 0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.271 -10.624 0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.699 -12.874 -0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.271 -8.745 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.692 -11.001 -1.301 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.977 -8.934 -1.662 1.00 0.00 H new ATOM 984 N THR A 69 8.176 -11.923 3.017 1.00 0.00 N ATOM 985 CA THR A 69 9.123 -10.904 3.442 1.00 0.00 C ATOM 986 C THR A 69 10.175 -10.673 2.368 1.00 0.00 C ATOM 987 O THR A 69 10.836 -11.613 1.925 1.00 0.00 O ATOM 988 CB THR A 69 9.792 -11.313 4.756 1.00 0.00 C ATOM 989 OG1 THR A 69 8.821 -11.713 5.709 1.00 0.00 O ATOM 990 CG2 THR A 69 10.618 -10.208 5.378 1.00 0.00 C ATOM 0 H THR A 69 8.603 -12.805 2.733 1.00 0.00 H new ATOM 0 HA THR A 69 8.578 -9.973 3.601 1.00 0.00 H new ATOM 0 HB THR A 69 10.456 -12.138 4.497 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.268 -11.972 6.542 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.064 -10.565 6.306 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.407 -9.911 4.687 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.979 -9.351 5.589 1.00 0.00 H new ATOM 998 N ILE A 70 10.337 -9.419 1.947 1.00 0.00 N ATOM 999 CA ILE A 70 11.321 -9.100 0.925 1.00 0.00 C ATOM 1000 C ILE A 70 12.154 -7.903 1.336 1.00 0.00 C ATOM 1001 O ILE A 70 11.805 -7.182 2.270 1.00 0.00 O ATOM 1002 CB ILE A 70 10.665 -8.824 -0.449 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.862 -7.521 -0.426 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.774 -9.990 -0.855 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.680 -7.557 0.514 1.00 0.00 C ATOM 0 H ILE A 70 9.806 -8.621 2.295 1.00 0.00 H new ATOM 0 HA ILE A 70 11.964 -9.974 0.824 1.00 0.00 H new ATOM 0 HB ILE A 70 11.460 -8.716 -1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.521 -6.703 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.508 -7.304 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.320 -9.781 -1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.372 -10.899 -0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.991 -10.127 -0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.158 -6.601 0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.000 -8.354 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.029 -7.743 1.530 1.00 0.00 H new ATOM 1017 N ASP A 71 13.241 -7.682 0.621 1.00 0.00 N ATOM 1018 CA ASP A 71 14.108 -6.554 0.898 1.00 0.00 C ATOM 1019 C ASP A 71 13.713 -5.392 0.007 1.00 0.00 C ATOM 1020 O ASP A 71 13.217 -5.594 -1.098 1.00 0.00 O ATOM 1021 CB ASP A 71 15.573 -6.930 0.663 1.00 0.00 C ATOM 1022 CG ASP A 71 15.837 -7.369 -0.765 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.135 -8.285 -1.245 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.746 -6.799 -1.403 1.00 0.00 O ATOM 0 H ASP A 71 13.544 -8.269 -0.156 1.00 0.00 H new ATOM 0 HA ASP A 71 13.998 -6.265 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.207 -6.076 0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.853 -7.733 1.345 1.00 0.00 H new ATOM 1029 N VAL A 72 13.943 -4.175 0.472 1.00 0.00 N ATOM 1030 CA VAL A 72 13.612 -2.998 -0.320 1.00 0.00 C ATOM 1031 C VAL A 72 14.613 -1.882 -0.078 1.00 0.00 C ATOM 1032 O VAL A 72 14.924 -1.552 1.064 1.00 0.00 O ATOM 1033 CB VAL A 72 12.199 -2.474 -0.013 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.156 -3.249 -0.802 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.911 -2.538 1.477 1.00 0.00 C ATOM 0 H VAL A 72 14.353 -3.975 1.384 1.00 0.00 H new ATOM 0 HA VAL A 72 13.649 -3.308 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 72 12.149 -1.429 -0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.163 -2.863 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.349 -3.137 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.206 -4.304 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.906 -2.162 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.984 -3.571 1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.636 -1.927 2.014 1.00 0.00 H new ATOM 1045 N THR A 73 15.105 -1.287 -1.154 1.00 0.00 N ATOM 1046 CA THR A 73 16.061 -0.196 -1.062 1.00 0.00 C ATOM 1047 C THR A 73 15.928 0.686 -2.295 1.00 0.00 C ATOM 1048 O THR A 73 16.054 0.208 -3.423 1.00 0.00 O ATOM 1049 CB THR A 73 17.486 -0.742 -0.944 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.680 -1.373 0.309 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.558 0.321 -1.090 1.00 0.00 C ATOM 0 H THR A 73 14.855 -1.545 -2.109 1.00 0.00 H new ATOM 0 HA THR A 73 15.853 0.395 -0.170 1.00 0.00 H new ATOM 0 HB THR A 73 17.587 -1.450 -1.767 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.832 -1.392 0.800 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.542 -0.139 -0.995 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.471 0.794 -2.068 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.433 1.073 -0.311 1.00 0.00 H new ATOM 1059 N PHE A 74 15.657 1.965 -2.085 1.00 0.00 N ATOM 1060 CA PHE A 74 15.488 2.896 -3.190 1.00 0.00 C ATOM 1061 C PHE A 74 16.831 3.446 -3.670 1.00 0.00 C ATOM 1062 O PHE A 74 17.648 3.892 -2.864 1.00 0.00 O ATOM 1063 CB PHE A 74 14.552 4.023 -2.770 1.00 0.00 C ATOM 1064 CG PHE A 74 13.134 3.559 -2.603 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.821 2.523 -1.734 1.00 0.00 C ATOM 1066 CD2 PHE A 74 12.117 4.144 -3.332 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.514 2.086 -1.600 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.810 3.716 -3.201 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.506 2.685 -2.335 1.00 0.00 C ATOM 0 H PHE A 74 15.549 2.382 -1.160 1.00 0.00 H new ATOM 0 HA PHE A 74 15.045 2.361 -4.030 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.903 4.453 -1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.586 4.817 -3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.604 2.053 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.347 4.948 -4.015 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.281 1.278 -0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 74 10.027 4.188 -3.776 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.485 2.347 -2.231 1.00 0.00 H new ATOM 1079 N PRO A 75 17.082 3.413 -4.994 1.00 0.00 N ATOM 1080 CA PRO A 75 18.339 3.903 -5.570 1.00 0.00 C ATOM 1081 C PRO A 75 18.530 5.401 -5.369 1.00 0.00 C ATOM 1082 O PRO A 75 17.664 6.081 -4.819 1.00 0.00 O ATOM 1083 CB PRO A 75 18.208 3.584 -7.063 1.00 0.00 C ATOM 1084 CG PRO A 75 16.746 3.444 -7.301 1.00 0.00 C ATOM 1085 CD PRO A 75 16.170 2.890 -6.029 1.00 0.00 C ATOM 0 HA PRO A 75 19.202 3.437 -5.095 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.633 4.380 -7.675 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.739 2.667 -7.319 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.297 4.406 -7.546 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.550 2.778 -8.141 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.145 3.226 -5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.151 1.800 -6.036 1.00 0.00 H new ATOM 1093 N GLU A 76 19.672 5.905 -5.823 1.00 0.00 N ATOM 1094 CA GLU A 76 19.982 7.323 -5.700 1.00 0.00 C ATOM 1095 C GLU A 76 19.216 8.151 -6.731 1.00 0.00 C ATOM 1096 O GLU A 76 19.255 9.381 -6.703 1.00 0.00 O ATOM 1097 CB GLU A 76 21.487 7.548 -5.860 1.00 0.00 C ATOM 1098 CG GLU A 76 21.948 8.929 -5.422 1.00 0.00 C ATOM 1099 CD GLU A 76 23.038 9.489 -6.315 1.00 0.00 C ATOM 1100 OE1 GLU A 76 24.215 9.114 -6.121 1.00 0.00 O ATOM 1101 OE2 GLU A 76 22.717 10.302 -7.206 1.00 0.00 O ATOM 0 H GLU A 76 20.398 5.352 -6.279 1.00 0.00 H new ATOM 0 HA GLU A 76 19.672 7.650 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.022 6.795 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.759 7.398 -6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.097 9.610 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.314 8.878 -4.396 1.00 0.00 H new ATOM 1108 N GLU A 77 18.517 7.473 -7.639 1.00 0.00 N ATOM 1109 CA GLU A 77 17.745 8.152 -8.674 1.00 0.00 C ATOM 1110 C GLU A 77 16.304 8.374 -8.227 1.00 0.00 C ATOM 1111 O GLU A 77 15.679 9.369 -8.594 1.00 0.00 O ATOM 1112 CB GLU A 77 17.775 7.346 -9.974 1.00 0.00 C ATOM 1113 CG GLU A 77 17.235 5.932 -9.830 1.00 0.00 C ATOM 1114 CD GLU A 77 16.240 5.575 -10.916 1.00 0.00 C ATOM 1115 OE1 GLU A 77 15.044 5.898 -10.754 1.00 0.00 O ATOM 1116 OE2 GLU A 77 16.655 4.971 -11.927 1.00 0.00 O ATOM 0 H GLU A 77 18.470 6.455 -7.678 1.00 0.00 H new ATOM 0 HA GLU A 77 18.201 9.126 -8.850 1.00 0.00 H new ATOM 0 HB2 GLU A 77 17.193 7.872 -10.731 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.801 7.298 -10.338 1.00 0.00 H new ATOM 0 HG2 GLU A 77 18.065 5.226 -9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 77 16.757 5.827 -8.856 1.00 0.00 H new ATOM 1123 N TYR A 78 15.782 7.447 -7.428 1.00 0.00 N ATOM 1124 CA TYR A 78 14.414 7.552 -6.926 1.00 0.00 C ATOM 1125 C TYR A 78 14.274 8.774 -6.027 1.00 0.00 C ATOM 1126 O TYR A 78 13.627 9.756 -6.386 1.00 0.00 O ATOM 1127 CB TYR A 78 14.041 6.284 -6.151 1.00 0.00 C ATOM 1128 CG TYR A 78 12.554 6.049 -6.041 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.760 6.819 -5.196 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.941 5.045 -6.779 1.00 0.00 C ATOM 1131 CE1 TYR A 78 10.401 6.593 -5.094 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.582 4.817 -6.683 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.817 5.593 -5.839 1.00 0.00 C ATOM 1134 OH TYR A 78 8.462 5.366 -5.742 1.00 0.00 O ATOM 0 H TYR A 78 16.284 6.616 -7.115 1.00 0.00 H new ATOM 0 HA TYR A 78 13.737 7.662 -7.773 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.500 5.424 -6.639 1.00 0.00 H new ATOM 0 HB3 TYR A 78 14.464 6.345 -5.148 1.00 0.00 H new ATOM 0 HD1 TYR A 78 12.213 7.605 -4.611 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.537 4.432 -7.439 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.799 7.198 -4.433 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.121 4.034 -7.267 1.00 0.00 H new ATOM 0 HH TYR A 78 8.211 4.626 -6.334 1.00 0.00 H new ATOM 1144 N HIS A 79 14.909 8.701 -4.862 1.00 0.00 N ATOM 1145 CA HIS A 79 14.903 9.782 -3.883 1.00 0.00 C ATOM 1146 C HIS A 79 13.577 10.551 -3.835 1.00 0.00 C ATOM 1147 O HIS A 79 13.491 11.685 -4.309 1.00 0.00 O ATOM 1148 CB HIS A 79 16.062 10.737 -4.166 1.00 0.00 C ATOM 1149 CG HIS A 79 17.379 10.190 -3.713 1.00 0.00 C ATOM 1150 ND1 HIS A 79 18.508 10.965 -3.557 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.740 8.930 -3.368 1.00 0.00 C ATOM 1152 CE1 HIS A 79 19.507 10.209 -3.137 1.00 0.00 C ATOM 1153 NE2 HIS A 79 19.065 8.971 -3.013 1.00 0.00 N ATOM 0 H HIS A 79 15.446 7.885 -4.569 1.00 0.00 H new ATOM 0 HA HIS A 79 15.024 9.324 -2.901 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.106 10.943 -5.236 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.876 11.688 -3.666 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.104 8.057 -3.372 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.512 10.546 -2.931 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.620 8.173 -2.703 1.00 0.00 H new ATOM 1161 N ALA A 80 12.551 9.939 -3.241 1.00 0.00 N ATOM 1162 CA ALA A 80 11.247 10.582 -3.113 1.00 0.00 C ATOM 1163 C ALA A 80 11.184 11.431 -1.844 1.00 0.00 C ATOM 1164 O ALA A 80 11.869 11.156 -0.862 1.00 0.00 O ATOM 1165 CB ALA A 80 10.136 9.547 -3.111 1.00 0.00 C ATOM 0 H ALA A 80 12.600 9.001 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 80 11.108 11.237 -3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.173 10.048 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.161 8.985 -4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.276 8.865 -2.272 1.00 0.00 H new ATOM 1171 N GLU A 81 10.366 12.471 -1.884 1.00 0.00 N ATOM 1172 CA GLU A 81 10.218 13.389 -0.757 1.00 0.00 C ATOM 1173 C GLU A 81 9.941 12.683 0.574 1.00 0.00 C ATOM 1174 O GLU A 81 10.282 13.209 1.633 1.00 0.00 O ATOM 1175 CB GLU A 81 9.085 14.378 -1.046 1.00 0.00 C ATOM 1176 CG GLU A 81 9.235 15.702 -0.315 1.00 0.00 C ATOM 1177 CD GLU A 81 8.819 16.885 -1.166 1.00 0.00 C ATOM 1178 OE1 GLU A 81 8.025 16.689 -2.108 1.00 0.00 O ATOM 1179 OE2 GLU A 81 9.287 18.010 -0.887 1.00 0.00 O ATOM 0 H GLU A 81 9.788 12.705 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 81 11.172 13.905 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.043 14.567 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.135 13.923 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.633 15.682 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.273 15.828 -0.006 1.00 0.00 H new ATOM 1186 N ASN A 82 9.287 11.525 0.536 1.00 0.00 N ATOM 1187 CA ASN A 82 8.941 10.821 1.774 1.00 0.00 C ATOM 1188 C ASN A 82 9.947 9.742 2.189 1.00 0.00 C ATOM 1189 O ASN A 82 10.180 9.548 3.382 1.00 0.00 O ATOM 1190 CB ASN A 82 7.543 10.208 1.662 1.00 0.00 C ATOM 1191 CG ASN A 82 7.382 9.338 0.433 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.701 9.714 -0.521 1.00 0.00 O ATOM 1193 ND2 ASN A 82 8.004 8.168 0.451 1.00 0.00 N ATOM 0 H ASN A 82 8.989 11.058 -0.321 1.00 0.00 H new ATOM 0 HA ASN A 82 8.966 11.578 2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.340 9.613 2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.802 11.007 1.636 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.929 7.538 -0.348 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.558 7.897 1.264 1.00 0.00 H new ATOM 1200 N LEU A 83 10.518 9.012 1.232 1.00 0.00 N ATOM 1201 CA LEU A 83 11.456 7.938 1.579 1.00 0.00 C ATOM 1202 C LEU A 83 12.719 7.934 0.720 1.00 0.00 C ATOM 1203 O LEU A 83 13.435 6.940 0.672 1.00 0.00 O ATOM 1204 CB LEU A 83 10.747 6.578 1.495 1.00 0.00 C ATOM 1205 CG LEU A 83 10.596 5.949 0.097 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.509 6.987 -1.013 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.737 4.998 -0.179 1.00 0.00 C ATOM 0 H LEU A 83 10.355 9.137 0.233 1.00 0.00 H new ATOM 0 HA LEU A 83 11.784 8.125 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.290 5.874 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.752 6.689 1.925 1.00 0.00 H new ATOM 0 HG LEU A 83 9.653 5.403 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.404 6.484 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.645 7.630 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.416 7.592 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.615 4.562 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.682 5.540 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.738 4.205 0.568 1.00 0.00 H new ATOM 1219 N LYS A 84 12.994 9.042 0.053 1.00 0.00 N ATOM 1220 CA LYS A 84 14.181 9.160 -0.802 1.00 0.00 C ATOM 1221 C LYS A 84 15.362 8.311 -0.313 1.00 0.00 C ATOM 1222 O LYS A 84 15.814 8.448 0.824 1.00 0.00 O ATOM 1223 CB LYS A 84 14.615 10.624 -0.906 1.00 0.00 C ATOM 1224 CG LYS A 84 14.827 11.290 0.443 1.00 0.00 C ATOM 1225 CD LYS A 84 15.707 12.522 0.318 1.00 0.00 C ATOM 1226 CE LYS A 84 17.175 12.146 0.202 1.00 0.00 C ATOM 1227 NZ LYS A 84 17.928 13.094 -0.667 1.00 0.00 N ATOM 0 H LYS A 84 12.414 9.880 0.082 1.00 0.00 H new ATOM 0 HA LYS A 84 13.893 8.780 -1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.540 10.681 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.860 11.180 -1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.863 11.570 0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.285 10.581 1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.407 13.098 -0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.562 13.164 1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.624 12.130 1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.260 11.138 -0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.924 12.801 -0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.516 13.091 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.870 14.052 -0.267 1.00 0.00 H new ATOM 1241 N GLY A 85 15.860 7.446 -1.199 1.00 0.00 N ATOM 1242 CA GLY A 85 16.993 6.588 -0.879 1.00 0.00 C ATOM 1243 C GLY A 85 16.844 5.853 0.439 1.00 0.00 C ATOM 1244 O GLY A 85 17.717 5.939 1.302 1.00 0.00 O ATOM 0 H GLY A 85 15.493 7.324 -2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.124 5.859 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.899 7.193 -0.848 1.00 0.00 H new ATOM 1248 N LYS A 86 15.741 5.132 0.602 1.00 0.00 N ATOM 1249 CA LYS A 86 15.497 4.387 1.832 1.00 0.00 C ATOM 1250 C LYS A 86 15.850 2.907 1.700 1.00 0.00 C ATOM 1251 O LYS A 86 14.993 2.087 1.372 1.00 0.00 O ATOM 1252 CB LYS A 86 14.040 4.525 2.259 1.00 0.00 C ATOM 1253 CG LYS A 86 13.858 4.678 3.760 1.00 0.00 C ATOM 1254 CD LYS A 86 13.723 3.330 4.446 1.00 0.00 C ATOM 1255 CE LYS A 86 12.586 2.512 3.860 1.00 0.00 C ATOM 1256 NZ LYS A 86 11.817 1.797 4.910 1.00 0.00 N ATOM 0 H LYS A 86 15.004 5.047 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 86 16.149 4.817 2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.604 5.389 1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.487 3.649 1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.709 5.216 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.971 5.279 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.657 2.777 4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.552 3.480 5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.917 3.168 3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.988 1.790 3.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.318 0.989 4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.468 1.454 5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.125 2.446 5.337 1.00 0.00 H new ATOM 1270 N ALA A 87 17.099 2.560 1.995 1.00 0.00 N ATOM 1271 CA ALA A 87 17.530 1.168 1.946 1.00 0.00 C ATOM 1272 C ALA A 87 17.035 0.451 3.196 1.00 0.00 C ATOM 1273 O ALA A 87 17.575 0.649 4.282 1.00 0.00 O ATOM 1274 CB ALA A 87 19.047 1.080 1.838 1.00 0.00 C ATOM 0 H ALA A 87 17.827 3.220 2.269 1.00 0.00 H new ATOM 0 HA ALA A 87 17.107 0.688 1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.349 0.033 1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.377 1.584 0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.502 1.560 2.705 1.00 0.00 H new ATOM 1280 N ALA A 88 15.976 -0.342 3.056 1.00 0.00 N ATOM 1281 CA ALA A 88 15.396 -1.021 4.211 1.00 0.00 C ATOM 1282 C ALA A 88 14.996 -2.471 3.939 1.00 0.00 C ATOM 1283 O ALA A 88 15.247 -3.027 2.871 1.00 0.00 O ATOM 1284 CB ALA A 88 14.187 -0.229 4.684 1.00 0.00 C ATOM 0 H ALA A 88 15.508 -0.529 2.169 1.00 0.00 H new ATOM 0 HA ALA A 88 16.167 -1.065 4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.743 -0.724 5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.498 0.778 4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.453 -0.172 3.881 1.00 0.00 H new ATOM 1290 N LYS A 89 14.342 -3.050 4.940 1.00 0.00 N ATOM 1291 CA LYS A 89 13.843 -4.419 4.885 1.00 0.00 C ATOM 1292 C LYS A 89 12.368 -4.396 5.244 1.00 0.00 C ATOM 1293 O LYS A 89 11.980 -3.688 6.169 1.00 0.00 O ATOM 1294 CB LYS A 89 14.610 -5.323 5.851 1.00 0.00 C ATOM 1295 CG LYS A 89 15.770 -6.059 5.203 1.00 0.00 C ATOM 1296 CD LYS A 89 16.857 -6.383 6.216 1.00 0.00 C ATOM 1297 CE LYS A 89 17.708 -5.162 6.533 1.00 0.00 C ATOM 1298 NZ LYS A 89 17.525 -4.707 7.939 1.00 0.00 N ATOM 0 H LYS A 89 14.141 -2.577 5.821 1.00 0.00 H new ATOM 0 HA LYS A 89 13.985 -4.821 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.989 -4.720 6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.921 -6.052 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.409 -6.981 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.187 -5.449 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.401 -6.758 7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.492 -7.179 5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.758 -5.397 6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.448 -4.351 5.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.832 -3.717 8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.521 -4.782 8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.094 -5.303 8.574 1.00 0.00 H new ATOM 1312 N PHE A 90 11.554 -5.185 4.553 1.00 0.00 N ATOM 1313 CA PHE A 90 10.119 -5.242 4.851 1.00 0.00 C ATOM 1314 C PHE A 90 9.586 -6.667 4.847 1.00 0.00 C ATOM 1315 O PHE A 90 10.100 -7.530 4.136 1.00 0.00 O ATOM 1316 CB PHE A 90 9.292 -4.495 3.800 1.00 0.00 C ATOM 1317 CG PHE A 90 9.473 -3.013 3.716 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.241 -2.313 4.624 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.832 -2.319 2.711 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.373 -0.942 4.529 1.00 0.00 C ATOM 1321 CE2 PHE A 90 8.954 -0.945 2.610 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.725 -0.257 3.520 1.00 0.00 C ATOM 0 H PHE A 90 11.854 -5.790 3.789 1.00 0.00 H new ATOM 0 HA PHE A 90 10.021 -4.788 5.837 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.524 -4.920 2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.238 -4.696 3.993 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.745 -2.844 5.418 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.228 -2.855 1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.982 -0.406 5.242 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.446 -0.413 1.819 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.823 0.816 3.445 1.00 0.00 H new ATOM 1332 N ALA A 91 8.500 -6.888 5.583 1.00 0.00 N ATOM 1333 CA ALA A 91 7.830 -8.173 5.606 1.00 0.00 C ATOM 1334 C ALA A 91 6.389 -7.871 5.224 1.00 0.00 C ATOM 1335 O ALA A 91 5.638 -7.270 5.991 1.00 0.00 O ATOM 1336 CB ALA A 91 7.923 -8.819 6.984 1.00 0.00 C ATOM 0 H ALA A 91 8.066 -6.181 6.176 1.00 0.00 H new ATOM 0 HA ALA A 91 8.287 -8.886 4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.411 -9.781 6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.970 -8.969 7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.454 -8.169 7.723 1.00 0.00 H new ATOM 1342 N ILE A 92 6.062 -8.186 3.978 1.00 0.00 N ATOM 1343 CA ILE A 92 4.765 -7.841 3.409 1.00 0.00 C ATOM 1344 C ILE A 92 3.757 -8.985 3.328 1.00 0.00 C ATOM 1345 O ILE A 92 4.098 -10.162 3.416 1.00 0.00 O ATOM 1346 CB ILE A 92 4.979 -7.302 1.981 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.120 -6.275 1.969 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.694 -6.721 1.421 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.121 -5.358 0.770 1.00 0.00 C ATOM 0 H ILE A 92 6.681 -8.683 3.338 1.00 0.00 H new ATOM 0 HA ILE A 92 4.339 -7.105 4.091 1.00 0.00 H new ATOM 0 HB ILE A 92 5.265 -8.130 1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.058 -5.670 2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.071 -6.806 2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.873 -6.348 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.927 -7.495 1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.358 -5.902 2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.959 -4.665 0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.217 -5.950 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.188 -4.796 0.741 1.00 0.00 H new ATOM 1361 N ASN A 93 2.502 -8.590 3.113 1.00 0.00 N ATOM 1362 CA ASN A 93 1.392 -9.515 2.952 1.00 0.00 C ATOM 1363 C ASN A 93 0.518 -9.056 1.780 1.00 0.00 C ATOM 1364 O ASN A 93 -0.220 -8.076 1.894 1.00 0.00 O ATOM 1365 CB ASN A 93 0.567 -9.595 4.234 1.00 0.00 C ATOM 1366 CG ASN A 93 1.306 -10.302 5.354 1.00 0.00 C ATOM 1367 OD1 ASN A 93 2.455 -10.715 5.191 1.00 0.00 O ATOM 1368 ND2 ASN A 93 0.649 -10.444 6.498 1.00 0.00 N ATOM 0 H ASN A 93 2.230 -7.609 3.046 1.00 0.00 H new ATOM 0 HA ASN A 93 1.783 -10.511 2.743 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.302 -8.588 4.556 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.366 -10.120 4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.095 -10.911 7.288 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.302 -10.086 6.588 1.00 0.00 H new ATOM 1375 N LEU A 94 0.623 -9.746 0.647 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.139 -9.383 -0.548 1.00 0.00 C ATOM 1377 C LEU A 94 -1.643 -9.509 -0.335 1.00 0.00 C ATOM 1378 O LEU A 94 -2.099 -10.288 0.500 1.00 0.00 O ATOM 1379 CB LEU A 94 0.289 -10.252 -1.727 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.083 -9.713 -3.106 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.587 -8.370 -3.350 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.312 -10.710 -4.182 1.00 0.00 C ATOM 0 H LEU A 94 1.227 -10.559 0.530 1.00 0.00 H new ATOM 0 HA LEU A 94 0.077 -8.336 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.370 -10.383 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.157 -11.240 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.163 -9.569 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.311 -8.000 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.262 -7.658 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.669 -8.488 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.042 -10.315 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.388 -10.880 -4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.210 -11.652 -4.014 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.410 -8.739 -1.110 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.862 -8.767 -1.016 1.00 0.00 C ATOM 1396 C LYS A 95 -4.507 -8.498 -2.387 1.00 0.00 C ATOM 1397 O LYS A 95 -4.399 -9.317 -3.297 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.355 -7.758 0.033 1.00 0.00 C ATOM 1399 CG LYS A 95 -3.773 -7.969 1.423 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.416 -9.157 2.121 1.00 0.00 C ATOM 1401 CE LYS A 95 -4.013 -9.238 3.586 1.00 0.00 C ATOM 1402 NZ LYS A 95 -3.322 -10.518 3.904 1.00 0.00 N ATOM 0 H LYS A 95 -2.045 -8.090 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.164 -9.764 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.108 -6.751 -0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.442 -7.816 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.697 -8.128 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.921 -7.070 2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.501 -9.079 2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.127 -10.077 1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.357 -8.402 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.900 -9.139 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.065 -10.533 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.956 -11.316 3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.462 -10.601 3.326 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.213 -7.376 -2.519 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.901 -7.056 -3.761 1.00 0.00 C ATOM 1418 C LYS A 96 -4.943 -6.671 -4.882 1.00 0.00 C ATOM 1419 O LYS A 96 -4.433 -5.551 -4.926 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.898 -5.921 -3.531 1.00 0.00 C ATOM 1421 CG LYS A 96 -7.795 -6.135 -2.324 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.264 -6.145 -2.717 1.00 0.00 C ATOM 1423 CE LYS A 96 -10.165 -6.270 -1.501 1.00 0.00 C ATOM 1424 NZ LYS A 96 -10.531 -4.940 -0.940 1.00 0.00 N ATOM 0 H LYS A 96 -5.321 -6.678 -1.783 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.424 -7.960 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.350 -4.987 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.519 -5.809 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.540 -7.079 -1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.618 -5.346 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.504 -5.228 -3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.454 -6.974 -3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.071 -6.810 -1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.661 -6.860 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.146 -5.070 -0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.668 -4.434 -0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.034 -4.385 -1.662 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.734 -7.603 -5.806 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.873 -7.384 -6.963 1.00 0.00 C ATOM 1440 C VAL A 97 -4.724 -7.297 -8.233 1.00 0.00 C ATOM 1441 O VAL A 97 -5.294 -8.295 -8.671 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.838 -8.529 -7.104 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.497 -9.890 -6.893 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.136 -8.476 -8.459 1.00 0.00 C ATOM 0 H VAL A 97 -5.156 -8.531 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.335 -6.447 -6.820 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.085 -8.390 -6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.749 -10.676 -6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.932 -9.933 -5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.281 -10.034 -7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.416 -9.292 -8.528 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.874 -8.575 -9.255 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.616 -7.524 -8.562 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.816 -6.102 -8.814 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.611 -5.897 -10.024 1.00 0.00 C ATOM 1456 C GLU A 98 -4.852 -5.045 -11.047 1.00 0.00 C ATOM 1457 O GLU A 98 -3.835 -4.441 -10.715 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.944 -5.238 -9.668 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.694 -5.939 -8.548 1.00 0.00 C ATOM 1460 CD GLU A 98 -7.786 -5.099 -7.288 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -6.856 -4.304 -7.036 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -8.787 -5.237 -6.555 1.00 0.00 O ATOM 0 H GLU A 98 -4.351 -5.263 -8.468 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.803 -6.870 -10.475 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.761 -4.203 -9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.575 -5.214 -10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.699 -6.186 -8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.196 -6.880 -8.316 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.347 -5.017 -12.292 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.698 -4.254 -13.371 1.00 0.00 C ATOM 1471 C GLU A 99 -5.248 -2.838 -13.508 1.00 0.00 C ATOM 1472 O GLU A 99 -6.239 -2.614 -14.195 1.00 0.00 O ATOM 1473 CB GLU A 99 -4.844 -4.984 -14.707 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.130 -4.284 -15.857 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.086 -3.792 -16.925 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -6.140 -4.432 -17.118 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.779 -2.768 -17.571 1.00 0.00 O ATOM 0 H GLU A 99 -6.192 -5.512 -12.578 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.645 -4.175 -13.100 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.450 -5.995 -14.606 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -5.903 -5.077 -14.949 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.562 -3.440 -15.467 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.412 -4.971 -16.306 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.570 -1.882 -12.880 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.970 -0.477 -12.950 1.00 0.00 C ATOM 1486 C ARG A 100 -4.657 0.110 -14.322 1.00 0.00 C ATOM 1487 O ARG A 100 -3.962 -0.505 -15.130 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.243 0.331 -11.876 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.728 0.266 -11.997 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.050 1.450 -11.323 1.00 0.00 C ATOM 1491 NE ARG A 100 -1.135 2.154 -12.218 1.00 0.00 N ATOM 1492 CZ ARG A 100 -1.529 2.963 -13.194 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -2.820 3.160 -13.416 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -0.630 3.584 -13.945 1.00 0.00 N ATOM 0 H ARG A 100 -3.738 -2.054 -12.315 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.046 -0.424 -12.782 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.561 1.372 -11.937 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.538 -0.036 -10.893 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.368 -0.660 -11.550 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.449 0.240 -13.050 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.810 2.145 -10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.501 1.101 -10.449 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.133 2.016 -12.085 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.515 2.689 -12.836 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.119 3.782 -14.167 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.365 3.440 -13.773 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.933 4.205 -14.695 1.00 0.00 H new