USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 668 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 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0956 X(o=-0.096,f=-0.096) USER MOD Single : A 64 ASN : amide:sc= -3.38! C(o=-3.4!,f=-2.3!) USER MOD Single : A 68 LYS NZ :NH3+ 144:sc= -0.251 (180deg=-1.72!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HE2:sc= -2.22! C(o=-2.2!,f=-2.2!) USER MOD Single : A 95 LYS NZ :NH3+ 147:sc= -2.4! (180deg=-3.12!) USER MOD Single : A 97 CYS SG : rot 180:sc= -4.87! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -15:sc= -0.153 USER MOD Single : A 103 CYS SG : rot -97:sc= -0.368 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0298) USER MOD Single : A 112 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0.467 K(o=0.47,f=-4.4!) USER MOD Single : A 118 GLN : amide:sc= -1.91 K(o=-1.9,f=-7!) USER MOD Single : A 119 LYS NZ :NH3+ 162:sc= -0.0106 (180deg=-0.182) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -130:sc= -0.423 (180deg=-3.82!) USER MOD Single : A 125 ASN : amide:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 129 GLN : amide:sc= -0.138 K(o=-0.14,f=-2.1!) USER MOD Single : A 131 LYS NZ :NH3+ 145:sc= -0.443 (180deg=-1.99!) USER MOD ----------------------------------------------------------------- ATOM 156 N ILE A 54 1.887 10.453 -3.418 1.00 0.00 N ATOM 157 CA ILE A 54 3.062 9.768 -3.942 1.00 0.00 C ATOM 158 C ILE A 54 2.732 8.333 -4.336 1.00 0.00 C ATOM 159 O ILE A 54 2.362 7.515 -3.493 1.00 0.00 O ATOM 160 CB ILE A 54 4.210 9.756 -2.915 1.00 0.00 C ATOM 161 CG1 ILE A 54 4.703 11.180 -2.651 1.00 0.00 C ATOM 162 CG2 ILE A 54 5.351 8.878 -3.407 1.00 0.00 C ATOM 163 CD1 ILE A 54 5.778 11.261 -1.590 1.00 0.00 C ATOM 0 HA ILE A 54 3.381 10.320 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 54 3.836 9.342 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.088 11.600 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.858 11.798 -2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.155 8.879 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.991 7.859 -3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.726 9.266 -4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.079 12.300 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.390 10.871 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.640 10.670 -1.900 1.00 0.00 H new ATOM 175 N LYS A 55 2.870 8.031 -5.622 1.00 0.00 N ATOM 176 CA LYS A 55 2.591 6.693 -6.130 1.00 0.00 C ATOM 177 C LYS A 55 3.675 5.711 -5.700 1.00 0.00 C ATOM 178 O LYS A 55 4.673 5.528 -6.398 1.00 0.00 O ATOM 179 CB LYS A 55 2.484 6.717 -7.656 1.00 0.00 C ATOM 180 CG LYS A 55 2.223 5.351 -8.269 1.00 0.00 C ATOM 181 CD LYS A 55 2.140 5.427 -9.784 1.00 0.00 C ATOM 182 CE LYS A 55 3.507 5.669 -10.406 1.00 0.00 C ATOM 183 NZ LYS A 55 3.411 5.943 -11.867 1.00 0.00 N ATOM 0 H LYS A 55 3.174 8.696 -6.333 1.00 0.00 H new ATOM 0 HA LYS A 55 1.640 6.363 -5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.681 7.395 -7.945 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.407 7.122 -8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.019 4.664 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.292 4.945 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.721 4.499 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.461 6.229 -10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.988 6.512 -9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.141 4.798 -10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.363 6.103 -12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.975 5.129 -12.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.827 6.789 -12.024 1.00 0.00 H new ATOM 197 N LEU A 56 3.472 5.079 -4.549 1.00 0.00 N ATOM 198 CA LEU A 56 4.433 4.113 -4.027 1.00 0.00 C ATOM 199 C LEU A 56 4.376 2.809 -4.816 1.00 0.00 C ATOM 200 O LEU A 56 3.315 2.200 -4.953 1.00 0.00 O ATOM 201 CB LEU A 56 4.158 3.840 -2.547 1.00 0.00 C ATOM 202 CG LEU A 56 4.619 4.920 -1.568 1.00 0.00 C ATOM 203 CD1 LEU A 56 4.172 4.585 -0.154 1.00 0.00 C ATOM 204 CD2 LEU A 56 6.131 5.083 -1.627 1.00 0.00 C ATOM 0 H LEU A 56 2.651 5.218 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 56 5.432 4.537 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.085 3.695 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.641 2.902 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 56 4.160 5.865 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.509 5.365 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.084 4.520 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.601 3.629 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.441 5.856 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.609 4.140 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.427 5.371 -2.636 1.00 0.00 H new ATOM 216 N PHE A 57 5.525 2.384 -5.331 1.00 0.00 N ATOM 217 CA PHE A 57 5.607 1.151 -6.105 1.00 0.00 C ATOM 218 C PHE A 57 5.950 -0.033 -5.206 1.00 0.00 C ATOM 219 O PHE A 57 6.881 0.033 -4.402 1.00 0.00 O ATOM 220 CB PHE A 57 6.656 1.287 -7.210 1.00 0.00 C ATOM 221 CG PHE A 57 7.187 -0.031 -7.698 1.00 0.00 C ATOM 222 CD1 PHE A 57 8.232 -0.658 -7.040 1.00 0.00 C ATOM 223 CD2 PHE A 57 6.640 -0.643 -8.814 1.00 0.00 C ATOM 224 CE1 PHE A 57 8.723 -1.870 -7.487 1.00 0.00 C ATOM 225 CE2 PHE A 57 7.127 -1.855 -9.266 1.00 0.00 C ATOM 226 CZ PHE A 57 8.169 -2.470 -8.600 1.00 0.00 C ATOM 0 H PHE A 57 6.413 2.876 -5.226 1.00 0.00 H new ATOM 0 HA PHE A 57 4.633 0.970 -6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.219 1.827 -8.050 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.486 1.889 -6.840 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.668 -0.194 -6.168 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.823 -0.167 -9.337 1.00 0.00 H new ATOM 0 HE1 PHE A 57 9.540 -2.347 -6.966 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.693 -2.320 -10.139 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.550 -3.418 -8.949 1.00 0.00 H new ATOM 236 N ILE A 58 5.191 -1.115 -5.347 1.00 0.00 N ATOM 237 CA ILE A 58 5.414 -2.314 -4.549 1.00 0.00 C ATOM 238 C ILE A 58 5.836 -3.487 -5.427 1.00 0.00 C ATOM 239 O ILE A 58 5.284 -3.700 -6.505 1.00 0.00 O ATOM 240 CB ILE A 58 4.153 -2.706 -3.758 1.00 0.00 C ATOM 241 CG1 ILE A 58 3.463 -1.458 -3.203 1.00 0.00 C ATOM 242 CG2 ILE A 58 4.510 -3.666 -2.633 1.00 0.00 C ATOM 243 CD1 ILE A 58 4.262 -0.756 -2.127 1.00 0.00 C ATOM 0 H ILE A 58 4.416 -1.186 -6.007 1.00 0.00 H new ATOM 0 HA ILE A 58 6.215 -2.082 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 58 3.461 -3.210 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.278 -0.761 -4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.491 -1.740 -2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.608 -3.934 -2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.960 -4.566 -3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.218 -3.187 -1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.714 0.119 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.425 -1.437 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.224 -0.444 -2.534 1.00 0.00 H new ATOM 255 N GLY A 59 6.819 -4.249 -4.955 1.00 0.00 N ATOM 256 CA GLY A 59 7.298 -5.393 -5.708 1.00 0.00 C ATOM 257 C GLY A 59 7.407 -6.643 -4.857 1.00 0.00 C ATOM 258 O GLY A 59 7.104 -6.617 -3.664 1.00 0.00 O ATOM 0 H GLY A 59 7.292 -4.094 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.623 -5.583 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.274 -5.161 -6.134 1.00 0.00 H new ATOM 262 N GLN A 60 7.839 -7.739 -5.471 1.00 0.00 N ATOM 263 CA GLN A 60 7.985 -9.005 -4.762 1.00 0.00 C ATOM 264 C GLN A 60 6.652 -9.457 -4.175 1.00 0.00 C ATOM 265 O GLN A 60 6.548 -9.723 -2.978 1.00 0.00 O ATOM 266 CB GLN A 60 9.027 -8.872 -3.649 1.00 0.00 C ATOM 267 CG GLN A 60 10.444 -8.676 -4.162 1.00 0.00 C ATOM 268 CD GLN A 60 10.952 -9.870 -4.946 1.00 0.00 C ATOM 269 OE1 GLN A 60 11.171 -9.786 -6.155 1.00 0.00 O ATOM 270 NE2 GLN A 60 11.143 -10.991 -4.260 1.00 0.00 N ATOM 0 H GLN A 60 8.094 -7.776 -6.458 1.00 0.00 H new ATOM 0 HA GLN A 60 8.320 -9.757 -5.477 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.760 -8.029 -3.012 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.996 -9.765 -3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.477 -7.790 -4.795 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.109 -8.490 -3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.949 -11.016 -3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.484 -11.827 -4.734 1.00 0.00 H new ATOM 279 N ILE A 61 5.635 -9.541 -5.027 1.00 0.00 N ATOM 280 CA ILE A 61 4.309 -9.962 -4.592 1.00 0.00 C ATOM 281 C ILE A 61 3.791 -11.115 -5.446 1.00 0.00 C ATOM 282 O ILE A 61 3.686 -11.017 -6.668 1.00 0.00 O ATOM 283 CB ILE A 61 3.301 -8.799 -4.654 1.00 0.00 C ATOM 284 CG1 ILE A 61 3.815 -7.607 -3.845 1.00 0.00 C ATOM 285 CG2 ILE A 61 1.941 -9.249 -4.141 1.00 0.00 C ATOM 286 CD1 ILE A 61 2.979 -6.357 -4.014 1.00 0.00 C ATOM 0 H ILE A 61 5.704 -9.323 -6.021 1.00 0.00 H new ATOM 0 HA ILE A 61 4.406 -10.293 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 61 3.190 -8.488 -5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.840 -7.878 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.841 -7.391 -4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.240 -8.416 -4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.574 -10.070 -4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.034 -9.583 -3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.402 -5.553 -3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.975 -6.061 -5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.958 -6.556 -3.689 1.00 0.00 H new ATOM 298 N PRO A 62 3.457 -12.235 -4.787 1.00 0.00 N ATOM 299 CA PRO A 62 2.942 -13.428 -5.465 1.00 0.00 C ATOM 300 C PRO A 62 1.537 -13.218 -6.020 1.00 0.00 C ATOM 301 O PRO A 62 0.787 -12.373 -5.532 1.00 0.00 O ATOM 302 CB PRO A 62 2.928 -14.486 -4.359 1.00 0.00 C ATOM 303 CG PRO A 62 2.816 -13.709 -3.093 1.00 0.00 C ATOM 304 CD PRO A 62 3.557 -12.422 -3.330 1.00 0.00 C ATOM 0 HA PRO A 62 3.550 -13.701 -6.327 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.089 -15.172 -4.478 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.837 -15.088 -4.375 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.772 -13.518 -2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.248 -14.260 -2.258 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.105 -11.592 -2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.595 -12.490 -3.004 1.00 0.00 H new ATOM 312 N ARG A 63 1.188 -13.993 -7.042 1.00 0.00 N ATOM 313 CA ARG A 63 -0.127 -13.891 -7.663 1.00 0.00 C ATOM 314 C ARG A 63 -1.177 -14.630 -6.838 1.00 0.00 C ATOM 315 O ARG A 63 -2.023 -15.338 -7.383 1.00 0.00 O ATOM 316 CB ARG A 63 -0.089 -14.456 -9.084 1.00 0.00 C ATOM 317 CG ARG A 63 -1.329 -14.134 -9.902 1.00 0.00 C ATOM 318 CD ARG A 63 -1.478 -15.079 -11.084 1.00 0.00 C ATOM 319 NE ARG A 63 -0.354 -14.976 -12.012 1.00 0.00 N ATOM 320 CZ ARG A 63 -0.101 -15.869 -12.961 1.00 0.00 C ATOM 321 NH1 ARG A 63 -0.888 -16.927 -13.108 1.00 0.00 N ATOM 322 NH2 ARG A 63 0.940 -15.706 -13.767 1.00 0.00 N ATOM 0 H ARG A 63 1.797 -14.698 -7.457 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.400 -12.837 -7.706 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.788 -14.063 -9.599 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.031 -15.538 -9.032 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.213 -14.202 -9.267 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.272 -13.106 -10.261 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.556 -16.104 -10.721 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.405 -14.856 -11.612 1.00 0.00 H new ATOM 0 HE ARG A 63 0.270 -14.174 -11.926 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.690 -17.056 -12.491 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.691 -17.612 -13.838 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.547 -14.894 -13.658 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.133 -16.393 -14.496 1.00 0.00 H new ATOM 336 N ASN A 64 -1.114 -14.460 -5.522 1.00 0.00 N ATOM 337 CA ASN A 64 -2.059 -15.112 -4.621 1.00 0.00 C ATOM 338 C ASN A 64 -2.759 -14.088 -3.733 1.00 0.00 C ATOM 339 O ASN A 64 -3.578 -14.443 -2.885 1.00 0.00 O ATOM 340 CB ASN A 64 -1.338 -16.147 -3.755 1.00 0.00 C ATOM 341 CG ASN A 64 -0.823 -15.556 -2.457 1.00 0.00 C ATOM 342 OD1 ASN A 64 -1.599 -15.105 -1.616 1.00 0.00 O ATOM 343 ND2 ASN A 64 0.495 -15.557 -2.289 1.00 0.00 N ATOM 0 H ASN A 64 -0.419 -13.877 -5.055 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.812 -15.616 -5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.019 -16.968 -3.532 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.504 -16.568 -4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.901 -15.173 -1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.101 -15.942 -3.014 1.00 0.00 H new ATOM 350 N LEU A 65 -2.431 -12.816 -3.934 1.00 0.00 N ATOM 351 CA LEU A 65 -3.029 -11.739 -3.153 1.00 0.00 C ATOM 352 C LEU A 65 -4.136 -11.045 -3.939 1.00 0.00 C ATOM 353 O LEU A 65 -4.278 -11.252 -5.144 1.00 0.00 O ATOM 354 CB LEU A 65 -1.960 -10.722 -2.749 1.00 0.00 C ATOM 355 CG LEU A 65 -0.754 -11.280 -1.992 1.00 0.00 C ATOM 356 CD1 LEU A 65 0.241 -10.172 -1.682 1.00 0.00 C ATOM 357 CD2 LEU A 65 -1.201 -11.971 -0.712 1.00 0.00 C ATOM 0 H LEU A 65 -1.754 -12.506 -4.631 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.466 -12.175 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.600 -10.226 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.430 -9.957 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.260 -12.017 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.092 -10.588 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.586 -9.721 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.241 -9.412 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.330 -12.362 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.719 -11.255 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.875 -12.792 -0.958 1.00 0.00 H new ATOM 369 N ASP A 66 -4.917 -10.221 -3.249 1.00 0.00 N ATOM 370 CA ASP A 66 -6.010 -9.493 -3.884 1.00 0.00 C ATOM 371 C ASP A 66 -6.099 -8.069 -3.345 1.00 0.00 C ATOM 372 O ASP A 66 -5.725 -7.803 -2.203 1.00 0.00 O ATOM 373 CB ASP A 66 -7.335 -10.222 -3.657 1.00 0.00 C ATOM 374 CG ASP A 66 -7.243 -11.702 -3.971 1.00 0.00 C ATOM 375 OD1 ASP A 66 -6.547 -12.424 -3.226 1.00 0.00 O ATOM 376 OD2 ASP A 66 -7.867 -12.139 -4.961 1.00 0.00 O ATOM 0 H ASP A 66 -4.814 -10.040 -2.250 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.810 -9.445 -4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.645 -10.092 -2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.107 -9.769 -4.279 1.00 0.00 H new ATOM 381 N GLU A 67 -6.596 -7.157 -4.175 1.00 0.00 N ATOM 382 CA GLU A 67 -6.733 -5.760 -3.782 1.00 0.00 C ATOM 383 C GLU A 67 -7.444 -5.640 -2.437 1.00 0.00 C ATOM 384 O GLU A 67 -7.101 -4.792 -1.613 1.00 0.00 O ATOM 385 CB GLU A 67 -7.502 -4.979 -4.849 1.00 0.00 C ATOM 386 CG GLU A 67 -6.667 -4.633 -6.071 1.00 0.00 C ATOM 387 CD GLU A 67 -7.502 -4.499 -7.329 1.00 0.00 C ATOM 388 OE1 GLU A 67 -8.270 -3.520 -7.431 1.00 0.00 O ATOM 389 OE2 GLU A 67 -7.388 -5.375 -8.212 1.00 0.00 O ATOM 0 H GLU A 67 -6.910 -7.361 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.733 -5.338 -3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.366 -5.565 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.884 -4.058 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.136 -3.698 -5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.912 -5.405 -6.221 1.00 0.00 H new ATOM 396 N LYS A 68 -8.437 -6.496 -2.222 1.00 0.00 N ATOM 397 CA LYS A 68 -9.198 -6.488 -0.977 1.00 0.00 C ATOM 398 C LYS A 68 -8.354 -7.015 0.179 1.00 0.00 C ATOM 399 O LYS A 68 -8.607 -6.694 1.341 1.00 0.00 O ATOM 400 CB LYS A 68 -10.465 -7.334 -1.125 1.00 0.00 C ATOM 401 CG LYS A 68 -11.383 -6.864 -2.240 1.00 0.00 C ATOM 402 CD LYS A 68 -12.834 -7.210 -1.951 1.00 0.00 C ATOM 403 CE LYS A 68 -13.137 -8.663 -2.282 1.00 0.00 C ATOM 404 NZ LYS A 68 -12.572 -9.594 -1.266 1.00 0.00 N ATOM 0 H LYS A 68 -8.734 -7.204 -2.893 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.480 -5.458 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.181 -8.369 -1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.014 -7.319 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.283 -5.786 -2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.079 -7.323 -3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.051 -7.022 -0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.487 -6.559 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.216 -8.804 -2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.728 -8.905 -3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.221 -10.395 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.650 -9.947 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.450 -9.091 -0.364 1.00 0.00 H new ATOM 418 N ASP A 69 -7.352 -7.824 -0.146 1.00 0.00 N ATOM 419 CA ASP A 69 -6.469 -8.393 0.866 1.00 0.00 C ATOM 420 C ASP A 69 -5.230 -7.524 1.057 1.00 0.00 C ATOM 421 O ASP A 69 -4.546 -7.615 2.077 1.00 0.00 O ATOM 422 CB ASP A 69 -6.057 -9.813 0.473 1.00 0.00 C ATOM 423 CG ASP A 69 -7.015 -10.861 1.003 1.00 0.00 C ATOM 424 OD1 ASP A 69 -8.241 -10.661 0.881 1.00 0.00 O ATOM 425 OD2 ASP A 69 -6.537 -11.883 1.539 1.00 0.00 O ATOM 0 H ASP A 69 -7.131 -8.101 -1.102 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.013 -8.429 1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.008 -9.886 -0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.055 -10.016 0.852 1.00 0.00 H new ATOM 430 N LEU A 70 -4.946 -6.683 0.069 1.00 0.00 N ATOM 431 CA LEU A 70 -3.788 -5.798 0.127 1.00 0.00 C ATOM 432 C LEU A 70 -4.173 -4.434 0.691 1.00 0.00 C ATOM 433 O LEU A 70 -3.420 -3.831 1.456 1.00 0.00 O ATOM 434 CB LEU A 70 -3.177 -5.633 -1.266 1.00 0.00 C ATOM 435 CG LEU A 70 -2.268 -6.768 -1.739 1.00 0.00 C ATOM 436 CD1 LEU A 70 -2.075 -6.704 -3.246 1.00 0.00 C ATOM 437 CD2 LEU A 70 -0.926 -6.711 -1.024 1.00 0.00 C ATOM 0 H LEU A 70 -5.502 -6.595 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.049 -6.249 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.988 -5.520 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.605 -4.705 -1.282 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.746 -7.716 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.425 -7.519 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.042 -6.796 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.619 -5.751 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.293 -7.526 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.441 -5.758 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.082 -6.808 0.050 1.00 0.00 H new ATOM 449 N LYS A 71 -5.351 -3.953 0.309 1.00 0.00 N ATOM 450 CA LYS A 71 -5.840 -2.662 0.779 1.00 0.00 C ATOM 451 C LYS A 71 -5.840 -2.602 2.303 1.00 0.00 C ATOM 452 O LYS A 71 -5.435 -1.609 2.909 1.00 0.00 O ATOM 453 CB LYS A 71 -7.252 -2.404 0.248 1.00 0.00 C ATOM 454 CG LYS A 71 -7.640 -0.936 0.242 1.00 0.00 C ATOM 455 CD LYS A 71 -9.068 -0.739 -0.239 1.00 0.00 C ATOM 456 CE LYS A 71 -9.473 0.727 -0.198 1.00 0.00 C ATOM 457 NZ LYS A 71 -10.532 1.038 -1.198 1.00 0.00 N ATOM 0 H LYS A 71 -5.985 -4.438 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.170 -1.889 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.327 -2.795 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.967 -2.958 0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.534 -0.526 1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.958 -0.381 -0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.165 -1.116 -1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.746 -1.323 0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.832 0.977 0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.599 1.351 -0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.780 2.046 -1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.181 0.824 -2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.375 0.462 -1.001 1.00 0.00 H new ATOM 471 N PRO A 72 -6.302 -3.688 2.939 1.00 0.00 N ATOM 472 CA PRO A 72 -6.364 -3.784 4.401 1.00 0.00 C ATOM 473 C PRO A 72 -5.059 -3.356 5.065 1.00 0.00 C ATOM 474 O PRO A 72 -5.023 -2.377 5.812 1.00 0.00 O ATOM 475 CB PRO A 72 -6.627 -5.271 4.649 1.00 0.00 C ATOM 476 CG PRO A 72 -7.311 -5.745 3.413 1.00 0.00 C ATOM 477 CD PRO A 72 -6.801 -4.907 2.281 1.00 0.00 C ATOM 0 HA PRO A 72 -7.126 -3.127 4.821 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.698 -5.814 4.821 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.251 -5.421 5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.101 -6.800 3.237 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.392 -5.647 3.509 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.010 -5.417 1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.591 -4.680 1.565 1.00 0.00 H new ATOM 485 N LEU A 73 -3.990 -4.093 4.788 1.00 0.00 N ATOM 486 CA LEU A 73 -2.682 -3.790 5.358 1.00 0.00 C ATOM 487 C LEU A 73 -2.406 -2.290 5.318 1.00 0.00 C ATOM 488 O LEU A 73 -2.417 -1.618 6.350 1.00 0.00 O ATOM 489 CB LEU A 73 -1.587 -4.543 4.602 1.00 0.00 C ATOM 490 CG LEU A 73 -1.788 -6.051 4.453 1.00 0.00 C ATOM 491 CD1 LEU A 73 -0.700 -6.651 3.577 1.00 0.00 C ATOM 492 CD2 LEU A 73 -1.807 -6.723 5.818 1.00 0.00 C ATOM 0 H LEU A 73 -4.003 -4.906 4.172 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.682 -4.113 6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.497 -4.109 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.639 -4.372 5.111 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.750 -6.224 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.860 -7.725 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.733 -6.191 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.274 -6.468 4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.951 -7.796 5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.860 -6.541 6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.623 -6.314 6.413 1.00 0.00 H new ATOM 504 N PHE A 74 -2.159 -1.771 4.120 1.00 0.00 N ATOM 505 CA PHE A 74 -1.880 -0.351 3.945 1.00 0.00 C ATOM 506 C PHE A 74 -2.929 0.501 4.655 1.00 0.00 C ATOM 507 O PHE A 74 -2.607 1.286 5.545 1.00 0.00 O ATOM 508 CB PHE A 74 -1.841 0.004 2.457 1.00 0.00 C ATOM 509 CG PHE A 74 -0.757 -0.709 1.700 1.00 0.00 C ATOM 510 CD1 PHE A 74 0.577 -0.417 1.934 1.00 0.00 C ATOM 511 CD2 PHE A 74 -1.073 -1.670 0.753 1.00 0.00 C ATOM 512 CE1 PHE A 74 1.576 -1.071 1.239 1.00 0.00 C ATOM 513 CE2 PHE A 74 -0.077 -2.327 0.055 1.00 0.00 C ATOM 514 CZ PHE A 74 1.249 -2.027 0.297 1.00 0.00 C ATOM 0 H PHE A 74 -2.146 -2.313 3.256 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.906 -0.141 4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.805 -0.236 2.009 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.700 1.080 2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.839 0.330 2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.108 -1.908 0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.612 -0.835 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.336 -3.075 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.028 -2.538 -0.249 1.00 0.00 H new ATOM 524 N GLU A 75 -4.186 0.338 4.252 1.00 0.00 N ATOM 525 CA GLU A 75 -5.282 1.093 4.848 1.00 0.00 C ATOM 526 C GLU A 75 -5.048 1.303 6.342 1.00 0.00 C ATOM 527 O GLU A 75 -5.480 2.305 6.912 1.00 0.00 O ATOM 528 CB GLU A 75 -6.610 0.367 4.626 1.00 0.00 C ATOM 529 CG GLU A 75 -7.288 0.725 3.314 1.00 0.00 C ATOM 530 CD GLU A 75 -7.849 2.134 3.314 1.00 0.00 C ATOM 531 OE1 GLU A 75 -8.323 2.585 4.377 1.00 0.00 O ATOM 532 OE2 GLU A 75 -7.812 2.786 2.249 1.00 0.00 O ATOM 0 H GLU A 75 -4.470 -0.309 3.516 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.324 2.068 4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.435 -0.709 4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.285 0.601 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.571 0.623 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.094 0.017 3.120 1.00 0.00 H new ATOM 539 N GLU A 76 -4.363 0.352 6.968 1.00 0.00 N ATOM 540 CA GLU A 76 -4.073 0.433 8.394 1.00 0.00 C ATOM 541 C GLU A 76 -3.030 1.510 8.678 1.00 0.00 C ATOM 542 O GLU A 76 -3.229 2.373 9.533 1.00 0.00 O ATOM 543 CB GLU A 76 -3.581 -0.919 8.915 1.00 0.00 C ATOM 544 CG GLU A 76 -3.686 -1.065 10.424 1.00 0.00 C ATOM 545 CD GLU A 76 -5.122 -1.124 10.906 1.00 0.00 C ATOM 546 OE1 GLU A 76 -5.816 -0.088 10.829 1.00 0.00 O ATOM 547 OE2 GLU A 76 -5.553 -2.204 11.359 1.00 0.00 O ATOM 0 H GLU A 76 -3.999 -0.483 6.510 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.995 0.700 8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.157 -1.713 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.542 -1.058 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.165 -1.971 10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.180 -0.226 10.902 1.00 0.00 H new ATOM 554 N PHE A 77 -1.917 1.452 7.954 1.00 0.00 N ATOM 555 CA PHE A 77 -0.841 2.421 8.128 1.00 0.00 C ATOM 556 C PHE A 77 -1.245 3.786 7.578 1.00 0.00 C ATOM 557 O PHE A 77 -1.006 4.816 8.208 1.00 0.00 O ATOM 558 CB PHE A 77 0.430 1.933 7.430 1.00 0.00 C ATOM 559 CG PHE A 77 1.189 0.903 8.216 1.00 0.00 C ATOM 560 CD1 PHE A 77 2.055 1.284 9.228 1.00 0.00 C ATOM 561 CD2 PHE A 77 1.035 -0.447 7.944 1.00 0.00 C ATOM 562 CE1 PHE A 77 2.754 0.339 9.954 1.00 0.00 C ATOM 563 CE2 PHE A 77 1.732 -1.397 8.667 1.00 0.00 C ATOM 564 CZ PHE A 77 2.593 -1.003 9.673 1.00 0.00 C ATOM 0 H PHE A 77 -1.737 0.745 7.242 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.645 2.522 9.195 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.164 1.514 6.460 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.081 2.786 7.241 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.185 2.332 9.452 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.363 -0.760 7.159 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.426 0.650 10.741 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.604 -2.446 8.446 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.139 -1.743 10.239 1.00 0.00 H new ATOM 574 N GLY A 78 -1.858 3.785 6.399 1.00 0.00 N ATOM 575 CA GLY A 78 -2.284 5.029 5.783 1.00 0.00 C ATOM 576 C GLY A 78 -3.631 4.905 5.099 1.00 0.00 C ATOM 577 O GLY A 78 -4.046 3.809 4.720 1.00 0.00 O ATOM 0 H GLY A 78 -2.068 2.946 5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.336 5.808 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.537 5.344 5.054 1.00 0.00 H new ATOM 581 N LYS A 79 -4.319 6.031 4.942 1.00 0.00 N ATOM 582 CA LYS A 79 -5.628 6.045 4.299 1.00 0.00 C ATOM 583 C LYS A 79 -5.489 6.012 2.780 1.00 0.00 C ATOM 584 O LYS A 79 -5.624 7.037 2.113 1.00 0.00 O ATOM 585 CB LYS A 79 -6.413 7.289 4.722 1.00 0.00 C ATOM 586 CG LYS A 79 -7.917 7.081 4.741 1.00 0.00 C ATOM 587 CD LYS A 79 -8.613 8.117 5.608 1.00 0.00 C ATOM 588 CE LYS A 79 -8.980 9.357 4.808 1.00 0.00 C ATOM 589 NZ LYS A 79 -9.137 10.554 5.680 1.00 0.00 N ATOM 0 H LYS A 79 -3.992 6.946 5.251 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.170 5.154 4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.084 7.596 5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.176 8.107 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.306 7.136 3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.142 6.082 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.514 7.683 6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.962 8.397 6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.208 9.550 4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.909 9.178 4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.387 11.378 5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.891 10.380 6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.243 10.741 6.178 1.00 0.00 H new ATOM 603 N ILE A 80 -5.219 4.827 2.242 1.00 0.00 N ATOM 604 CA ILE A 80 -5.065 4.661 0.802 1.00 0.00 C ATOM 605 C ILE A 80 -6.028 5.563 0.038 1.00 0.00 C ATOM 606 O ILE A 80 -7.144 5.821 0.490 1.00 0.00 O ATOM 607 CB ILE A 80 -5.300 3.200 0.376 1.00 0.00 C ATOM 608 CG1 ILE A 80 -4.316 2.272 1.091 1.00 0.00 C ATOM 609 CG2 ILE A 80 -5.167 3.060 -1.133 1.00 0.00 C ATOM 610 CD1 ILE A 80 -4.560 0.804 0.815 1.00 0.00 C ATOM 0 H ILE A 80 -5.103 3.969 2.781 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.040 4.941 0.560 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.312 2.913 0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.301 2.527 0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.379 2.447 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.336 2.022 -1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.904 3.696 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.166 3.362 -1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.826 0.205 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.563 0.533 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.468 0.615 -0.254 1.00 0.00 H new ATOM 622 N TYR A 81 -5.589 6.038 -1.122 1.00 0.00 N ATOM 623 CA TYR A 81 -6.412 6.913 -1.950 1.00 0.00 C ATOM 624 C TYR A 81 -6.902 6.181 -3.196 1.00 0.00 C ATOM 625 O TYR A 81 -8.021 6.401 -3.657 1.00 0.00 O ATOM 626 CB TYR A 81 -5.622 8.159 -2.354 1.00 0.00 C ATOM 627 CG TYR A 81 -6.254 8.935 -3.488 1.00 0.00 C ATOM 628 CD1 TYR A 81 -5.992 8.606 -4.812 1.00 0.00 C ATOM 629 CD2 TYR A 81 -7.114 9.996 -3.234 1.00 0.00 C ATOM 630 CE1 TYR A 81 -6.567 9.313 -5.850 1.00 0.00 C ATOM 631 CE2 TYR A 81 -7.694 10.708 -4.266 1.00 0.00 C ATOM 632 CZ TYR A 81 -7.417 10.363 -5.572 1.00 0.00 C ATOM 633 OH TYR A 81 -7.993 11.069 -6.604 1.00 0.00 O ATOM 0 H TYR A 81 -4.669 5.832 -1.511 1.00 0.00 H new ATOM 0 HA TYR A 81 -7.280 7.216 -1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.523 8.813 -1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.615 7.862 -2.645 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.328 7.784 -5.033 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.333 10.269 -2.212 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.352 9.045 -6.874 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.361 11.530 -4.051 1.00 0.00 H new ATOM 0 HH TYR A 81 -8.565 11.775 -6.238 1.00 0.00 H new ATOM 643 N GLU A 82 -6.055 5.310 -3.734 1.00 0.00 N ATOM 644 CA GLU A 82 -6.401 4.545 -4.926 1.00 0.00 C ATOM 645 C GLU A 82 -5.399 3.419 -5.161 1.00 0.00 C ATOM 646 O GLU A 82 -4.230 3.665 -5.463 1.00 0.00 O ATOM 647 CB GLU A 82 -6.450 5.462 -6.151 1.00 0.00 C ATOM 648 CG GLU A 82 -7.281 4.906 -7.295 1.00 0.00 C ATOM 649 CD GLU A 82 -6.918 5.521 -8.632 1.00 0.00 C ATOM 650 OE1 GLU A 82 -5.724 5.819 -8.843 1.00 0.00 O ATOM 651 OE2 GLU A 82 -7.828 5.705 -9.468 1.00 0.00 O ATOM 0 H GLU A 82 -5.125 5.116 -3.364 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.386 4.105 -4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.856 6.429 -5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.434 5.638 -6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.144 3.826 -7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.337 5.084 -7.092 1.00 0.00 H new ATOM 658 N LEU A 83 -5.863 2.182 -5.018 1.00 0.00 N ATOM 659 CA LEU A 83 -5.008 1.016 -5.213 1.00 0.00 C ATOM 660 C LEU A 83 -5.221 0.411 -6.597 1.00 0.00 C ATOM 661 O LEU A 83 -6.353 0.290 -7.067 1.00 0.00 O ATOM 662 CB LEU A 83 -5.289 -0.032 -4.136 1.00 0.00 C ATOM 663 CG LEU A 83 -4.499 -1.337 -4.246 1.00 0.00 C ATOM 664 CD1 LEU A 83 -3.044 -1.113 -3.865 1.00 0.00 C ATOM 665 CD2 LEU A 83 -5.122 -2.414 -3.371 1.00 0.00 C ATOM 0 H LEU A 83 -6.827 1.961 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.970 1.339 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.083 0.413 -3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.352 -0.271 -4.159 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.534 -1.675 -5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.497 -2.052 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.602 -0.375 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.988 -0.751 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.546 -3.335 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.119 -2.085 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.148 -2.594 -3.691 1.00 0.00 H new ATOM 677 N THR A 84 -4.126 0.028 -7.244 1.00 0.00 N ATOM 678 CA THR A 84 -4.192 -0.567 -8.573 1.00 0.00 C ATOM 679 C THR A 84 -3.109 -1.624 -8.758 1.00 0.00 C ATOM 680 O THR A 84 -1.917 -1.329 -8.663 1.00 0.00 O ATOM 681 CB THR A 84 -4.045 0.500 -9.674 1.00 0.00 C ATOM 682 OG1 THR A 84 -5.172 1.382 -9.656 1.00 0.00 O ATOM 683 CG2 THR A 84 -3.925 -0.149 -11.045 1.00 0.00 C ATOM 0 H THR A 84 -3.182 0.119 -6.869 1.00 0.00 H new ATOM 0 HA THR A 84 -5.172 -1.036 -8.660 1.00 0.00 H new ATOM 0 HB THR A 84 -3.136 1.069 -9.478 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.070 2.058 -10.358 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.822 0.625 -11.806 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.049 -0.797 -11.065 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.818 -0.740 -11.247 1.00 0.00 H new ATOM 691 N VAL A 85 -3.530 -2.856 -9.022 1.00 0.00 N ATOM 692 CA VAL A 85 -2.595 -3.957 -9.221 1.00 0.00 C ATOM 693 C VAL A 85 -1.998 -3.924 -10.624 1.00 0.00 C ATOM 694 O VAL A 85 -2.718 -3.784 -11.614 1.00 0.00 O ATOM 695 CB VAL A 85 -3.277 -5.320 -8.997 1.00 0.00 C ATOM 696 CG1 VAL A 85 -2.312 -6.456 -9.302 1.00 0.00 C ATOM 697 CG2 VAL A 85 -3.804 -5.424 -7.574 1.00 0.00 C ATOM 0 H VAL A 85 -4.513 -3.117 -9.103 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.799 -3.833 -8.487 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.123 -5.401 -9.680 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.811 -7.411 -9.138 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.988 -6.389 -10.341 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.445 -6.383 -8.646 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.283 -6.393 -7.433 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.977 -5.322 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.531 -4.631 -7.396 1.00 0.00 H new ATOM 707 N LEU A 86 -0.679 -4.055 -10.703 1.00 0.00 N ATOM 708 CA LEU A 86 0.016 -4.041 -11.985 1.00 0.00 C ATOM 709 C LEU A 86 0.014 -5.427 -12.621 1.00 0.00 C ATOM 710 O LEU A 86 0.795 -6.299 -12.239 1.00 0.00 O ATOM 711 CB LEU A 86 1.455 -3.553 -11.803 1.00 0.00 C ATOM 712 CG LEU A 86 1.628 -2.058 -11.535 1.00 0.00 C ATOM 713 CD1 LEU A 86 3.047 -1.758 -11.078 1.00 0.00 C ATOM 714 CD2 LEU A 86 1.284 -1.250 -12.778 1.00 0.00 C ATOM 0 H LEU A 86 -0.069 -4.172 -9.894 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.512 -3.356 -12.648 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.902 -4.104 -10.976 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.020 -3.809 -12.699 1.00 0.00 H new ATOM 0 HG LEU A 86 0.943 -1.770 -10.738 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.151 -0.689 -10.892 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.258 -2.308 -10.161 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.751 -2.062 -11.853 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.413 -0.188 -12.569 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.944 -1.541 -13.595 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.249 -1.441 -13.061 1.00 0.00 H new ATOM 726 N LYS A 87 -0.868 -5.624 -13.595 1.00 0.00 N ATOM 727 CA LYS A 87 -0.971 -6.903 -14.288 1.00 0.00 C ATOM 728 C LYS A 87 -1.199 -6.696 -15.782 1.00 0.00 C ATOM 729 O LYS A 87 -1.917 -5.782 -16.189 1.00 0.00 O ATOM 730 CB LYS A 87 -2.111 -7.736 -13.698 1.00 0.00 C ATOM 731 CG LYS A 87 -3.487 -7.315 -14.185 1.00 0.00 C ATOM 732 CD LYS A 87 -3.982 -6.077 -13.456 1.00 0.00 C ATOM 733 CE LYS A 87 -4.769 -6.442 -12.207 1.00 0.00 C ATOM 734 NZ LYS A 87 -6.169 -6.837 -12.530 1.00 0.00 N ATOM 0 H LYS A 87 -1.522 -4.914 -13.923 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.031 -7.438 -14.153 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.951 -8.785 -13.949 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.081 -7.660 -12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.450 -7.117 -15.256 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.192 -8.132 -14.036 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.133 -5.451 -13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.610 -5.487 -14.124 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.270 -7.262 -11.690 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.779 -5.593 -11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.673 -7.078 -11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.653 -6.046 -13.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.160 -7.663 -13.162 1.00 0.00 H new ATOM 748 N ASP A 88 -0.585 -7.550 -16.593 1.00 0.00 N ATOM 749 CA ASP A 88 -0.724 -7.462 -18.042 1.00 0.00 C ATOM 750 C ASP A 88 -1.919 -8.278 -18.525 1.00 0.00 C ATOM 751 O ASP A 88 -2.611 -8.914 -17.729 1.00 0.00 O ATOM 752 CB ASP A 88 0.553 -7.949 -18.729 1.00 0.00 C ATOM 753 CG ASP A 88 0.802 -7.251 -20.052 1.00 0.00 C ATOM 754 OD1 ASP A 88 0.574 -6.025 -20.128 1.00 0.00 O ATOM 755 OD2 ASP A 88 1.226 -7.930 -21.010 1.00 0.00 O ATOM 0 H ASP A 88 0.014 -8.311 -16.272 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.892 -6.417 -18.303 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.404 -7.782 -18.068 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.485 -9.024 -18.896 1.00 0.00 H new ATOM 760 N ARG A 89 -2.156 -8.255 -19.832 1.00 0.00 N ATOM 761 CA ARG A 89 -3.268 -8.991 -20.420 1.00 0.00 C ATOM 762 C ARG A 89 -2.804 -9.809 -21.622 1.00 0.00 C ATOM 763 O ARG A 89 -3.601 -10.493 -22.266 1.00 0.00 O ATOM 764 CB ARG A 89 -4.378 -8.027 -20.844 1.00 0.00 C ATOM 765 CG ARG A 89 -3.911 -6.943 -21.800 1.00 0.00 C ATOM 766 CD ARG A 89 -5.085 -6.178 -22.392 1.00 0.00 C ATOM 767 NE ARG A 89 -5.522 -5.089 -21.523 1.00 0.00 N ATOM 768 CZ ARG A 89 -6.112 -3.985 -21.968 1.00 0.00 C ATOM 769 NH1 ARG A 89 -6.335 -3.826 -23.265 1.00 0.00 N ATOM 770 NH2 ARG A 89 -6.481 -3.038 -21.115 1.00 0.00 N ATOM 0 H ARG A 89 -1.592 -7.734 -20.504 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.658 -9.674 -19.666 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.180 -8.595 -21.316 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -4.800 -7.558 -19.955 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.253 -6.251 -21.274 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.326 -7.392 -22.603 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.802 -5.775 -23.364 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.916 -6.863 -22.561 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.366 -5.181 -20.519 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.053 -4.552 -23.924 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.788 -2.978 -23.604 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.312 -3.157 -20.116 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -6.934 -2.191 -21.458 1.00 0.00 H new ATOM 784 N PHE A 90 -1.511 -9.734 -21.919 1.00 0.00 N ATOM 785 CA PHE A 90 -0.941 -10.466 -23.044 1.00 0.00 C ATOM 786 C PHE A 90 -0.036 -11.594 -22.556 1.00 0.00 C ATOM 787 O PHE A 90 -0.346 -12.773 -22.728 1.00 0.00 O ATOM 788 CB PHE A 90 -0.152 -9.518 -23.949 1.00 0.00 C ATOM 789 CG PHE A 90 -1.016 -8.735 -24.896 1.00 0.00 C ATOM 790 CD1 PHE A 90 -1.531 -9.329 -26.037 1.00 0.00 C ATOM 791 CD2 PHE A 90 -1.312 -7.405 -24.646 1.00 0.00 C ATOM 792 CE1 PHE A 90 -2.327 -8.612 -26.910 1.00 0.00 C ATOM 793 CE2 PHE A 90 -2.108 -6.683 -25.515 1.00 0.00 C ATOM 794 CZ PHE A 90 -2.615 -7.287 -26.649 1.00 0.00 C ATOM 0 H PHE A 90 -0.838 -9.174 -21.396 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.761 -10.903 -23.615 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.415 -8.824 -23.328 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.572 -10.096 -24.524 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.308 -10.365 -26.247 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.916 -6.927 -23.762 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.723 -9.087 -27.795 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.333 -5.647 -25.308 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.236 -6.724 -27.330 1.00 0.00 H new ATOM 804 N THR A 91 1.086 -11.223 -21.948 1.00 0.00 N ATOM 805 CA THR A 91 2.038 -12.201 -21.437 1.00 0.00 C ATOM 806 C THR A 91 2.402 -11.908 -19.986 1.00 0.00 C ATOM 807 O THR A 91 2.592 -12.824 -19.187 1.00 0.00 O ATOM 808 CB THR A 91 3.326 -12.226 -22.282 1.00 0.00 C ATOM 809 OG1 THR A 91 4.226 -13.217 -21.773 1.00 0.00 O ATOM 810 CG2 THR A 91 4.005 -10.865 -22.275 1.00 0.00 C ATOM 0 H THR A 91 1.358 -10.252 -21.797 1.00 0.00 H new ATOM 0 HA THR A 91 1.553 -13.175 -21.498 1.00 0.00 H new ATOM 0 HB THR A 91 3.056 -12.474 -23.309 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.042 -13.228 -22.316 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.912 -10.908 -22.878 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.328 -10.118 -22.690 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.263 -10.592 -21.252 1.00 0.00 H new ATOM 818 N GLY A 92 2.496 -10.625 -19.651 1.00 0.00 N ATOM 819 CA GLY A 92 2.837 -10.235 -18.295 1.00 0.00 C ATOM 820 C GLY A 92 1.651 -10.315 -17.354 1.00 0.00 C ATOM 821 O GLY A 92 1.465 -9.444 -16.505 1.00 0.00 O ATOM 0 H GLY A 92 2.342 -9.849 -20.294 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.635 -10.879 -17.925 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.225 -9.217 -18.300 1.00 0.00 H new ATOM 825 N MET A 93 0.846 -11.361 -17.506 1.00 0.00 N ATOM 826 CA MET A 93 -0.328 -11.551 -16.663 1.00 0.00 C ATOM 827 C MET A 93 0.052 -11.513 -15.186 1.00 0.00 C ATOM 828 O MET A 93 0.569 -12.489 -14.642 1.00 0.00 O ATOM 829 CB MET A 93 -1.010 -12.880 -16.992 1.00 0.00 C ATOM 830 CG MET A 93 -1.867 -12.829 -18.247 1.00 0.00 C ATOM 831 SD MET A 93 -2.604 -14.425 -18.649 1.00 0.00 S ATOM 832 CE MET A 93 -1.507 -14.987 -19.948 1.00 0.00 C ATOM 0 H MET A 93 0.985 -12.090 -18.205 1.00 0.00 H new ATOM 0 HA MET A 93 -1.023 -10.736 -16.863 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.248 -13.650 -17.113 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.633 -13.178 -16.149 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.658 -12.091 -18.113 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.257 -12.493 -19.086 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.833 -15.965 -20.302 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.528 -14.277 -20.775 1.00 0.00 H new ATOM 0 HE3 MET A 93 -0.491 -15.062 -19.560 1.00 0.00 H new ATOM 842 N HIS A 94 -0.208 -10.379 -14.542 1.00 0.00 N ATOM 843 CA HIS A 94 0.107 -10.215 -13.127 1.00 0.00 C ATOM 844 C HIS A 94 1.612 -10.295 -12.892 1.00 0.00 C ATOM 845 O HIS A 94 2.084 -11.099 -12.088 1.00 0.00 O ATOM 846 CB HIS A 94 -0.608 -11.281 -12.296 1.00 0.00 C ATOM 847 CG HIS A 94 -0.939 -10.835 -10.906 1.00 0.00 C ATOM 848 ND1 HIS A 94 0.006 -10.713 -9.909 1.00 0.00 N ATOM 849 CD2 HIS A 94 -2.120 -10.478 -10.348 1.00 0.00 C ATOM 850 CE1 HIS A 94 -0.579 -10.303 -8.798 1.00 0.00 C ATOM 851 NE2 HIS A 94 -1.869 -10.153 -9.037 1.00 0.00 N ATOM 0 H HIS A 94 -0.635 -9.561 -14.977 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.240 -9.230 -12.816 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.528 -11.570 -12.805 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.020 -12.170 -12.243 1.00 0.00 H new ATOM 0 HD1 HIS A 94 1.002 -10.909 -10.013 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.080 -10.453 -10.842 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.086 -10.121 -7.854 1.00 0.00 H new ATOM 859 N LYS A 95 2.362 -9.456 -13.600 1.00 0.00 N ATOM 860 CA LYS A 95 3.814 -9.431 -13.469 1.00 0.00 C ATOM 861 C LYS A 95 4.239 -9.811 -12.055 1.00 0.00 C ATOM 862 O LYS A 95 4.891 -10.833 -11.845 1.00 0.00 O ATOM 863 CB LYS A 95 4.354 -8.043 -13.820 1.00 0.00 C ATOM 864 CG LYS A 95 3.831 -7.503 -15.140 1.00 0.00 C ATOM 865 CD LYS A 95 2.604 -6.630 -14.939 1.00 0.00 C ATOM 866 CE LYS A 95 2.984 -5.169 -14.754 1.00 0.00 C ATOM 867 NZ LYS A 95 1.834 -4.259 -15.017 1.00 0.00 N ATOM 0 H LYS A 95 1.988 -8.784 -14.270 1.00 0.00 H new ATOM 0 HA LYS A 95 4.229 -10.162 -14.163 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.091 -7.348 -13.023 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.442 -8.085 -13.860 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.613 -6.925 -15.633 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.583 -8.333 -15.801 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.941 -6.729 -15.799 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.049 -6.976 -14.067 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.345 -5.014 -13.737 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.806 -4.920 -15.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.902 -3.426 -14.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.853 -3.954 -16.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.943 -4.761 -14.826 1.00 0.00 H new ATOM 881 N GLY A 96 3.866 -8.980 -11.086 1.00 0.00 N ATOM 882 CA GLY A 96 4.216 -9.247 -9.703 1.00 0.00 C ATOM 883 C GLY A 96 4.450 -7.978 -8.909 1.00 0.00 C ATOM 884 O GLY A 96 5.326 -7.931 -8.044 1.00 0.00 O ATOM 0 H GLY A 96 3.328 -8.126 -11.234 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.418 -9.823 -9.234 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.115 -9.863 -9.671 1.00 0.00 H new ATOM 888 N CYS A 97 3.667 -6.946 -9.202 1.00 0.00 N ATOM 889 CA CYS A 97 3.795 -5.668 -8.510 1.00 0.00 C ATOM 890 C CYS A 97 2.460 -4.931 -8.478 1.00 0.00 C ATOM 891 O CYS A 97 1.477 -5.381 -9.068 1.00 0.00 O ATOM 892 CB CYS A 97 4.855 -4.800 -9.189 1.00 0.00 C ATOM 893 SG CYS A 97 4.512 -4.442 -10.928 1.00 0.00 S ATOM 0 H CYS A 97 2.937 -6.969 -9.914 1.00 0.00 H new ATOM 0 HA CYS A 97 4.103 -5.868 -7.484 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.941 -3.859 -8.646 1.00 0.00 H new ATOM 0 HB3 CYS A 97 5.821 -5.300 -9.116 1.00 0.00 H new ATOM 0 HG CYS A 97 5.463 -3.701 -11.414 1.00 0.00 H new ATOM 899 N ALA A 98 2.432 -3.798 -7.785 1.00 0.00 N ATOM 900 CA ALA A 98 1.218 -2.998 -7.677 1.00 0.00 C ATOM 901 C ALA A 98 1.544 -1.547 -7.339 1.00 0.00 C ATOM 902 O ALA A 98 2.606 -1.251 -6.789 1.00 0.00 O ATOM 903 CB ALA A 98 0.287 -3.590 -6.629 1.00 0.00 C ATOM 0 H ALA A 98 3.236 -3.413 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 98 0.715 -3.014 -8.644 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.615 -2.982 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.018 -4.607 -6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.790 -3.605 -5.662 1.00 0.00 H new ATOM 909 N PHE A 99 0.626 -0.646 -7.670 1.00 0.00 N ATOM 910 CA PHE A 99 0.817 0.775 -7.402 1.00 0.00 C ATOM 911 C PHE A 99 -0.081 1.238 -6.259 1.00 0.00 C ATOM 912 O PHE A 99 -1.269 0.914 -6.217 1.00 0.00 O ATOM 913 CB PHE A 99 0.527 1.596 -8.660 1.00 0.00 C ATOM 914 CG PHE A 99 1.730 1.797 -9.536 1.00 0.00 C ATOM 915 CD1 PHE A 99 2.920 2.265 -9.005 1.00 0.00 C ATOM 916 CD2 PHE A 99 1.670 1.517 -10.892 1.00 0.00 C ATOM 917 CE1 PHE A 99 4.029 2.451 -9.808 1.00 0.00 C ATOM 918 CE2 PHE A 99 2.776 1.700 -11.700 1.00 0.00 C ATOM 919 CZ PHE A 99 3.957 2.169 -11.158 1.00 0.00 C ATOM 0 H PHE A 99 -0.258 -0.874 -8.124 1.00 0.00 H new ATOM 0 HA PHE A 99 1.856 0.928 -7.109 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.253 1.099 -9.237 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.135 2.570 -8.366 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.982 2.487 -7.950 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.749 1.152 -11.322 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.951 2.816 -9.380 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.717 1.476 -12.755 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.822 2.315 -11.788 1.00 0.00 H new ATOM 929 N LEU A 100 0.494 1.998 -5.334 1.00 0.00 N ATOM 930 CA LEU A 100 -0.253 2.507 -4.189 1.00 0.00 C ATOM 931 C LEU A 100 -0.099 4.020 -4.067 1.00 0.00 C ATOM 932 O LEU A 100 1.012 4.532 -3.926 1.00 0.00 O ATOM 933 CB LEU A 100 0.222 1.829 -2.903 1.00 0.00 C ATOM 934 CG LEU A 100 -0.570 2.161 -1.637 1.00 0.00 C ATOM 935 CD1 LEU A 100 -1.899 1.422 -1.630 1.00 0.00 C ATOM 936 CD2 LEU A 100 0.240 1.817 -0.396 1.00 0.00 C ATOM 0 H LEU A 100 1.475 2.276 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.308 2.279 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.193 0.750 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.265 2.100 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.773 3.232 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.449 1.670 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.484 1.718 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.718 0.348 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.339 2.060 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.474 0.752 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.166 2.392 -0.395 1.00 0.00 H new ATOM 948 N THR A 101 -1.221 4.730 -4.120 1.00 0.00 N ATOM 949 CA THR A 101 -1.211 6.184 -4.014 1.00 0.00 C ATOM 950 C THR A 101 -1.708 6.639 -2.647 1.00 0.00 C ATOM 951 O THR A 101 -2.888 6.495 -2.325 1.00 0.00 O ATOM 952 CB THR A 101 -2.082 6.832 -5.107 1.00 0.00 C ATOM 953 OG1 THR A 101 -1.619 6.436 -6.402 1.00 0.00 O ATOM 954 CG2 THR A 101 -2.051 8.349 -4.994 1.00 0.00 C ATOM 0 H THR A 101 -2.149 4.322 -4.236 1.00 0.00 H new ATOM 0 HA THR A 101 -0.177 6.504 -4.146 1.00 0.00 H new ATOM 0 HB THR A 101 -3.109 6.493 -4.970 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.179 6.851 -7.091 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.673 8.785 -5.776 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.432 8.649 -4.018 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.026 8.701 -5.107 1.00 0.00 H new ATOM 962 N TYR A 102 -0.803 7.190 -1.847 1.00 0.00 N ATOM 963 CA TYR A 102 -1.149 7.665 -0.513 1.00 0.00 C ATOM 964 C TYR A 102 -1.587 9.126 -0.551 1.00 0.00 C ATOM 965 O TYR A 102 -0.973 9.952 -1.228 1.00 0.00 O ATOM 966 CB TYR A 102 0.041 7.503 0.435 1.00 0.00 C ATOM 967 CG TYR A 102 0.063 6.174 1.156 1.00 0.00 C ATOM 968 CD1 TYR A 102 -0.993 5.784 1.970 1.00 0.00 C ATOM 969 CD2 TYR A 102 1.141 5.307 1.022 1.00 0.00 C ATOM 970 CE1 TYR A 102 -0.976 4.572 2.632 1.00 0.00 C ATOM 971 CE2 TYR A 102 1.166 4.092 1.679 1.00 0.00 C ATOM 972 CZ TYR A 102 0.106 3.729 2.482 1.00 0.00 C ATOM 973 OH TYR A 102 0.126 2.519 3.138 1.00 0.00 O ATOM 0 H TYR A 102 0.177 7.319 -2.099 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.981 7.064 -0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.965 7.615 -0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.020 8.306 1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.843 6.440 2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.973 5.588 0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.804 4.286 3.263 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.012 3.430 1.564 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.561 2.515 3.837 1.00 0.00 H new ATOM 983 N CYS A 103 -2.652 9.437 0.179 1.00 0.00 N ATOM 984 CA CYS A 103 -3.174 10.798 0.230 1.00 0.00 C ATOM 985 C CYS A 103 -2.127 11.761 0.780 1.00 0.00 C ATOM 986 O CYS A 103 -1.876 12.817 0.200 1.00 0.00 O ATOM 987 CB CYS A 103 -4.436 10.851 1.091 1.00 0.00 C ATOM 988 SG CYS A 103 -4.206 10.242 2.778 1.00 0.00 S ATOM 0 H CYS A 103 -3.171 8.765 0.744 1.00 0.00 H new ATOM 0 HA CYS A 103 -3.424 11.103 -0.786 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.791 11.881 1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -5.217 10.264 0.608 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.595 9.004 2.849 1.00 0.00 H new ATOM 994 N GLU A 104 -1.522 11.390 1.905 1.00 0.00 N ATOM 995 CA GLU A 104 -0.505 12.224 2.535 1.00 0.00 C ATOM 996 C GLU A 104 0.895 11.704 2.221 1.00 0.00 C ATOM 997 O GLU A 104 1.090 10.508 2.001 1.00 0.00 O ATOM 998 CB GLU A 104 -0.717 12.269 4.049 1.00 0.00 C ATOM 999 CG GLU A 104 -1.924 13.090 4.471 1.00 0.00 C ATOM 1000 CD GLU A 104 -1.730 14.576 4.236 1.00 0.00 C ATOM 1001 OE1 GLU A 104 -0.800 15.155 4.835 1.00 0.00 O ATOM 1002 OE2 GLU A 104 -2.508 15.158 3.451 1.00 0.00 O ATOM 0 H GLU A 104 -1.718 10.519 2.398 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.598 13.233 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.832 11.251 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.175 12.682 4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.801 12.750 3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.125 12.916 5.528 1.00 0.00 H new ATOM 1009 N ARG A 105 1.866 12.611 2.202 1.00 0.00 N ATOM 1010 CA ARG A 105 3.248 12.245 1.914 1.00 0.00 C ATOM 1011 C ARG A 105 3.904 11.598 3.130 1.00 0.00 C ATOM 1012 O ARG A 105 4.424 10.486 3.048 1.00 0.00 O ATOM 1013 CB ARG A 105 4.046 13.478 1.486 1.00 0.00 C ATOM 1014 CG ARG A 105 3.563 14.094 0.183 1.00 0.00 C ATOM 1015 CD ARG A 105 4.603 15.035 -0.406 1.00 0.00 C ATOM 1016 NE ARG A 105 5.022 16.056 0.550 1.00 0.00 N ATOM 1017 CZ ARG A 105 4.362 17.192 0.748 1.00 0.00 C ATOM 1018 NH1 ARG A 105 3.259 17.450 0.060 1.00 0.00 N ATOM 1019 NH2 ARG A 105 4.807 18.072 1.636 1.00 0.00 N ATOM 0 H ARG A 105 1.722 13.604 2.383 1.00 0.00 H new ATOM 0 HA ARG A 105 3.243 11.522 1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.991 14.228 2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 105 5.095 13.203 1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.338 13.304 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 105 2.635 14.639 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.472 14.460 -0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.194 15.516 -1.294 1.00 0.00 H new ATOM 0 HE ARG A 105 5.867 15.888 1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 105 2.915 16.776 -0.624 1.00 0.00 H new ATOM 0 HH12 ARG A 105 2.754 18.323 0.214 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.656 17.876 2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.300 18.944 1.788 1.00 0.00 H new ATOM 1033 N GLU A 106 3.875 12.302 4.257 1.00 0.00 N ATOM 1034 CA GLU A 106 4.468 11.796 5.489 1.00 0.00 C ATOM 1035 C GLU A 106 3.987 10.378 5.782 1.00 0.00 C ATOM 1036 O GLU A 106 4.786 9.487 6.071 1.00 0.00 O ATOM 1037 CB GLU A 106 4.124 12.716 6.662 1.00 0.00 C ATOM 1038 CG GLU A 106 4.544 14.160 6.447 1.00 0.00 C ATOM 1039 CD GLU A 106 3.694 15.139 7.234 1.00 0.00 C ATOM 1040 OE1 GLU A 106 2.463 14.937 7.297 1.00 0.00 O ATOM 1041 OE2 GLU A 106 4.258 16.106 7.786 1.00 0.00 O ATOM 0 H GLU A 106 3.447 13.224 4.342 1.00 0.00 H new ATOM 0 HA GLU A 106 5.550 11.774 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.049 12.681 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.606 12.337 7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.588 14.277 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.478 14.399 5.386 1.00 0.00 H new ATOM 1048 N SER A 107 2.675 10.177 5.707 1.00 0.00 N ATOM 1049 CA SER A 107 2.086 8.869 5.968 1.00 0.00 C ATOM 1050 C SER A 107 2.757 7.792 5.122 1.00 0.00 C ATOM 1051 O SER A 107 3.199 6.766 5.639 1.00 0.00 O ATOM 1052 CB SER A 107 0.583 8.897 5.681 1.00 0.00 C ATOM 1053 OG SER A 107 -0.131 9.481 6.756 1.00 0.00 O ATOM 0 H SER A 107 2.000 10.903 5.468 1.00 0.00 H new ATOM 0 HA SER A 107 2.244 8.630 7.020 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.395 9.460 4.767 1.00 0.00 H new ATOM 0 HB3 SER A 107 0.223 7.882 5.510 1.00 0.00 H new ATOM 0 HG SER A 107 -1.088 9.488 6.547 1.00 0.00 H new ATOM 1059 N ALA A 108 2.830 8.034 3.817 1.00 0.00 N ATOM 1060 CA ALA A 108 3.449 7.086 2.898 1.00 0.00 C ATOM 1061 C ALA A 108 4.797 6.608 3.428 1.00 0.00 C ATOM 1062 O ALA A 108 5.094 5.413 3.410 1.00 0.00 O ATOM 1063 CB ALA A 108 3.614 7.716 1.523 1.00 0.00 C ATOM 0 H ALA A 108 2.468 8.878 3.373 1.00 0.00 H new ATOM 0 HA ALA A 108 2.794 6.219 2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.077 6.998 0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.637 8.002 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.246 8.600 1.601 1.00 0.00 H new ATOM 1069 N LEU A 109 5.609 7.548 3.899 1.00 0.00 N ATOM 1070 CA LEU A 109 6.927 7.222 4.434 1.00 0.00 C ATOM 1071 C LEU A 109 6.828 6.135 5.500 1.00 0.00 C ATOM 1072 O LEU A 109 7.407 5.058 5.359 1.00 0.00 O ATOM 1073 CB LEU A 109 7.583 8.472 5.023 1.00 0.00 C ATOM 1074 CG LEU A 109 7.559 9.721 4.141 1.00 0.00 C ATOM 1075 CD1 LEU A 109 8.105 10.921 4.900 1.00 0.00 C ATOM 1076 CD2 LEU A 109 8.355 9.488 2.865 1.00 0.00 C ATOM 0 H LEU A 109 5.378 8.541 3.921 1.00 0.00 H new ATOM 0 HA LEU A 109 7.542 6.848 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.089 8.708 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.621 8.237 5.257 1.00 0.00 H new ATOM 0 HG LEU A 109 6.525 9.930 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.080 11.800 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.494 11.101 5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.133 10.723 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.327 10.387 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.389 9.254 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.920 8.656 2.312 1.00 0.00 H new ATOM 1088 N LYS A 110 6.089 6.424 6.565 1.00 0.00 N ATOM 1089 CA LYS A 110 5.910 5.472 7.654 1.00 0.00 C ATOM 1090 C LYS A 110 5.766 4.051 7.117 1.00 0.00 C ATOM 1091 O LYS A 110 6.592 3.184 7.400 1.00 0.00 O ATOM 1092 CB LYS A 110 4.680 5.841 8.486 1.00 0.00 C ATOM 1093 CG LYS A 110 4.800 7.182 9.188 1.00 0.00 C ATOM 1094 CD LYS A 110 3.847 7.282 10.367 1.00 0.00 C ATOM 1095 CE LYS A 110 4.213 8.440 11.283 1.00 0.00 C ATOM 1096 NZ LYS A 110 5.400 8.126 12.126 1.00 0.00 N ATOM 0 H LYS A 110 5.604 7.311 6.697 1.00 0.00 H new ATOM 0 HA LYS A 110 6.796 5.514 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.804 5.857 7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.510 5.064 9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.824 7.322 9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.590 7.984 8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.828 7.413 10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.866 6.350 10.932 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.418 9.327 10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.365 8.678 11.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.526 8.872 12.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.256 7.212 12.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.248 8.074 11.526 1.00 0.00 H new ATOM 1110 N ALA A 111 4.713 3.822 6.339 1.00 0.00 N ATOM 1111 CA ALA A 111 4.463 2.508 5.760 1.00 0.00 C ATOM 1112 C ALA A 111 5.597 2.094 4.829 1.00 0.00 C ATOM 1113 O ALA A 111 5.901 0.909 4.694 1.00 0.00 O ATOM 1114 CB ALA A 111 3.137 2.504 5.013 1.00 0.00 C ATOM 0 H ALA A 111 4.020 4.529 6.095 1.00 0.00 H new ATOM 0 HA ALA A 111 4.412 1.784 6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.963 1.516 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.330 2.748 5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.167 3.245 4.214 1.00 0.00 H new ATOM 1120 N GLN A 112 6.220 3.078 4.188 1.00 0.00 N ATOM 1121 CA GLN A 112 7.320 2.815 3.268 1.00 0.00 C ATOM 1122 C GLN A 112 8.471 2.114 3.982 1.00 0.00 C ATOM 1123 O GLN A 112 8.855 1.003 3.620 1.00 0.00 O ATOM 1124 CB GLN A 112 7.812 4.120 2.641 1.00 0.00 C ATOM 1125 CG GLN A 112 8.563 3.922 1.334 1.00 0.00 C ATOM 1126 CD GLN A 112 9.483 5.083 1.007 1.00 0.00 C ATOM 1127 OE1 GLN A 112 10.675 4.895 0.765 1.00 0.00 O ATOM 1128 NE2 GLN A 112 8.932 6.291 0.999 1.00 0.00 N ATOM 0 H GLN A 112 5.982 4.065 4.289 1.00 0.00 H new ATOM 0 HA GLN A 112 6.952 2.158 2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.957 4.773 2.464 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.463 4.632 3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.149 3.004 1.391 1.00 0.00 H new ATOM 0 HG3 GLN A 112 7.846 3.792 0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.939 6.400 1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 112 9.502 7.110 0.786 1.00 0.00 H new ATOM 1137 N SER A 113 9.018 2.773 4.999 1.00 0.00 N ATOM 1138 CA SER A 113 10.128 2.215 5.762 1.00 0.00 C ATOM 1139 C SER A 113 9.639 1.135 6.722 1.00 0.00 C ATOM 1140 O SER A 113 10.394 0.240 7.104 1.00 0.00 O ATOM 1141 CB SER A 113 10.845 3.319 6.542 1.00 0.00 C ATOM 1142 OG SER A 113 12.099 2.871 7.024 1.00 0.00 O ATOM 0 H SER A 113 8.710 3.693 5.313 1.00 0.00 H new ATOM 0 HA SER A 113 10.828 1.763 5.059 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.988 4.188 5.900 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.224 3.640 7.378 1.00 0.00 H new ATOM 0 HG SER A 113 12.538 3.595 7.517 1.00 0.00 H new ATOM 1148 N ALA A 114 8.371 1.225 7.108 1.00 0.00 N ATOM 1149 CA ALA A 114 7.779 0.255 8.021 1.00 0.00 C ATOM 1150 C ALA A 114 7.547 -1.083 7.327 1.00 0.00 C ATOM 1151 O ALA A 114 7.470 -2.126 7.976 1.00 0.00 O ATOM 1152 CB ALA A 114 6.473 0.791 8.587 1.00 0.00 C ATOM 0 H ALA A 114 7.733 1.960 6.803 1.00 0.00 H new ATOM 0 HA ALA A 114 8.478 0.093 8.841 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.042 0.056 9.267 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.664 1.718 9.128 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.775 0.984 7.772 1.00 0.00 H new ATOM 1158 N LEU A 115 7.437 -1.046 6.003 1.00 0.00 N ATOM 1159 CA LEU A 115 7.214 -2.256 5.220 1.00 0.00 C ATOM 1160 C LEU A 115 8.481 -2.664 4.475 1.00 0.00 C ATOM 1161 O LEU A 115 8.851 -3.838 4.456 1.00 0.00 O ATOM 1162 CB LEU A 115 6.071 -2.039 4.226 1.00 0.00 C ATOM 1163 CG LEU A 115 4.659 -2.054 4.812 1.00 0.00 C ATOM 1164 CD1 LEU A 115 3.673 -1.416 3.846 1.00 0.00 C ATOM 1165 CD2 LEU A 115 4.236 -3.477 5.147 1.00 0.00 C ATOM 0 H LEU A 115 7.499 -0.191 5.450 1.00 0.00 H new ATOM 0 HA LEU A 115 6.944 -3.059 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.226 -1.082 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.132 -2.811 3.459 1.00 0.00 H new ATOM 0 HG LEU A 115 4.662 -1.471 5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.673 -1.436 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.966 -0.383 3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.672 -1.971 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.229 -3.469 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.250 -4.083 4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.926 -3.900 5.877 1.00 0.00 H new ATOM 1177 N HIS A 116 9.143 -1.687 3.864 1.00 0.00 N ATOM 1178 CA HIS A 116 10.371 -1.944 3.120 1.00 0.00 C ATOM 1179 C HIS A 116 11.326 -2.814 3.932 1.00 0.00 C ATOM 1180 O HIS A 116 11.681 -2.475 5.060 1.00 0.00 O ATOM 1181 CB HIS A 116 11.053 -0.627 2.748 1.00 0.00 C ATOM 1182 CG HIS A 116 12.196 -0.793 1.796 1.00 0.00 C ATOM 1183 ND1 HIS A 116 12.034 -1.199 0.488 1.00 0.00 N ATOM 1184 CD2 HIS A 116 13.526 -0.603 1.967 1.00 0.00 C ATOM 1185 CE1 HIS A 116 13.214 -1.254 -0.103 1.00 0.00 C ATOM 1186 NE2 HIS A 116 14.136 -0.896 0.772 1.00 0.00 N ATOM 0 H HIS A 116 8.850 -0.710 3.869 1.00 0.00 H new ATOM 0 HA HIS A 116 10.108 -2.478 2.207 1.00 0.00 H new ATOM 0 HB2 HIS A 116 10.316 0.042 2.304 1.00 0.00 H new ATOM 0 HB3 HIS A 116 11.415 -0.145 3.656 1.00 0.00 H new ATOM 0 HD2 HIS A 116 14.016 -0.281 2.874 1.00 0.00 H new ATOM 0 HE1 HIS A 116 13.394 -1.543 -1.128 1.00 0.00 H new ATOM 0 HE2 HIS A 116 15.138 -0.845 0.590 1.00 0.00 H new ATOM 1194 N GLU A 117 11.737 -3.937 3.349 1.00 0.00 N ATOM 1195 CA GLU A 117 12.649 -4.855 4.020 1.00 0.00 C ATOM 1196 C GLU A 117 12.241 -5.059 5.477 1.00 0.00 C ATOM 1197 O GLU A 117 13.090 -5.246 6.348 1.00 0.00 O ATOM 1198 CB GLU A 117 14.083 -4.326 3.950 1.00 0.00 C ATOM 1199 CG GLU A 117 14.719 -4.472 2.577 1.00 0.00 C ATOM 1200 CD GLU A 117 16.232 -4.551 2.641 1.00 0.00 C ATOM 1201 OE1 GLU A 117 16.825 -3.869 3.502 1.00 0.00 O ATOM 1202 OE2 GLU A 117 16.822 -5.294 1.829 1.00 0.00 O ATOM 0 H GLU A 117 11.453 -4.232 2.415 1.00 0.00 H new ATOM 0 HA GLU A 117 12.598 -5.816 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 117 14.087 -3.273 4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.693 -4.856 4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 117 14.332 -5.370 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 117 14.429 -3.626 1.954 1.00 0.00 H new ATOM 1209 N GLN A 118 10.938 -5.021 5.731 1.00 0.00 N ATOM 1210 CA GLN A 118 10.418 -5.200 7.082 1.00 0.00 C ATOM 1211 C GLN A 118 9.461 -6.386 7.143 1.00 0.00 C ATOM 1212 O GLN A 118 9.554 -7.227 8.038 1.00 0.00 O ATOM 1213 CB GLN A 118 9.706 -3.930 7.550 1.00 0.00 C ATOM 1214 CG GLN A 118 9.717 -3.747 9.059 1.00 0.00 C ATOM 1215 CD GLN A 118 8.547 -4.429 9.738 1.00 0.00 C ATOM 1216 OE1 GLN A 118 8.140 -5.525 9.349 1.00 0.00 O ATOM 1217 NE2 GLN A 118 7.997 -3.784 10.761 1.00 0.00 N ATOM 0 H GLN A 118 10.223 -4.868 5.020 1.00 0.00 H new ATOM 0 HA GLN A 118 11.260 -5.401 7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 118 10.179 -3.066 7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 118 8.673 -3.954 7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 118 10.648 -4.144 9.463 1.00 0.00 H new ATOM 0 HG3 GLN A 118 9.697 -2.682 9.292 1.00 0.00 H new ATOM 0 HE21 GLN A 118 8.366 -2.878 11.050 1.00 0.00 H new ATOM 0 HE22 GLN A 118 7.206 -4.195 11.257 1.00 0.00 H new ATOM 1226 N LYS A 119 8.540 -6.447 6.187 1.00 0.00 N ATOM 1227 CA LYS A 119 7.565 -7.530 6.131 1.00 0.00 C ATOM 1228 C LYS A 119 7.922 -8.527 5.033 1.00 0.00 C ATOM 1229 O LYS A 119 8.547 -8.169 4.034 1.00 0.00 O ATOM 1230 CB LYS A 119 6.162 -6.969 5.889 1.00 0.00 C ATOM 1231 CG LYS A 119 5.053 -7.839 6.455 1.00 0.00 C ATOM 1232 CD LYS A 119 3.690 -7.414 5.935 1.00 0.00 C ATOM 1233 CE LYS A 119 2.591 -7.711 6.944 1.00 0.00 C ATOM 1234 NZ LYS A 119 2.654 -6.798 8.118 1.00 0.00 N ATOM 0 H LYS A 119 8.448 -5.759 5.440 1.00 0.00 H new ATOM 0 HA LYS A 119 7.581 -8.050 7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.095 -5.976 6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.007 -6.850 4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.236 -8.881 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.063 -7.780 7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.701 -6.347 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.478 -7.934 5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 119 1.619 -7.614 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.678 -8.744 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.744 -6.816 8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.410 -7.110 8.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 2.852 -5.830 7.794 1.00 0.00 H new ATOM 1248 N THR A 120 7.520 -9.780 5.223 1.00 0.00 N ATOM 1249 CA THR A 120 7.797 -10.828 4.249 1.00 0.00 C ATOM 1250 C THR A 120 6.539 -11.628 3.930 1.00 0.00 C ATOM 1251 O THR A 120 6.219 -12.600 4.615 1.00 0.00 O ATOM 1252 CB THR A 120 8.889 -11.790 4.754 1.00 0.00 C ATOM 1253 OG1 THR A 120 10.001 -11.045 5.263 1.00 0.00 O ATOM 1254 CG2 THR A 120 9.357 -12.711 3.637 1.00 0.00 C ATOM 0 H THR A 120 7.001 -10.093 6.043 1.00 0.00 H new ATOM 0 HA THR A 120 8.149 -10.333 3.344 1.00 0.00 H new ATOM 0 HB THR A 120 8.465 -12.399 5.552 1.00 0.00 H new ATOM 0 HG1 THR A 120 10.690 -11.664 5.584 1.00 0.00 H new ATOM 0 HG21 THR A 120 10.128 -13.381 4.017 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.514 -13.298 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.765 -12.115 2.821 1.00 0.00 H new ATOM 1262 N LEU A 121 5.830 -11.214 2.886 1.00 0.00 N ATOM 1263 CA LEU A 121 4.606 -11.894 2.475 1.00 0.00 C ATOM 1264 C LEU A 121 4.771 -13.408 2.553 1.00 0.00 C ATOM 1265 O LEU A 121 5.867 -13.947 2.394 1.00 0.00 O ATOM 1266 CB LEU A 121 4.225 -11.484 1.051 1.00 0.00 C ATOM 1267 CG LEU A 121 3.683 -10.064 0.884 1.00 0.00 C ATOM 1268 CD1 LEU A 121 3.608 -9.691 -0.588 1.00 0.00 C ATOM 1269 CD2 LEU A 121 2.316 -9.934 1.539 1.00 0.00 C ATOM 0 H LEU A 121 6.081 -10.411 2.309 1.00 0.00 H new ATOM 0 HA LEU A 121 3.809 -11.598 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.104 -11.593 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.475 -12.183 0.681 1.00 0.00 H new ATOM 0 HG LEU A 121 4.367 -9.374 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.220 -8.677 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.604 -9.743 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.946 -10.385 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.946 -8.917 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.622 -10.634 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.399 -10.158 2.603 1.00 0.00 H new ATOM 1281 N PRO A 122 3.658 -14.113 2.801 1.00 0.00 N ATOM 1282 CA PRO A 122 3.653 -15.576 2.903 1.00 0.00 C ATOM 1283 C PRO A 122 3.898 -16.251 1.558 1.00 0.00 C ATOM 1284 O PRO A 122 3.121 -16.086 0.619 1.00 0.00 O ATOM 1285 CB PRO A 122 2.244 -15.891 3.411 1.00 0.00 C ATOM 1286 CG PRO A 122 1.413 -14.738 2.965 1.00 0.00 C ATOM 1287 CD PRO A 122 2.317 -13.537 3.002 1.00 0.00 C ATOM 0 HA PRO A 122 4.447 -15.942 3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 122 1.874 -16.829 2.997 1.00 0.00 H new ATOM 0 HB3 PRO A 122 2.228 -15.994 4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 122 1.024 -14.903 1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 122 0.553 -14.600 3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.066 -12.821 2.220 1.00 0.00 H new ATOM 0 HD3 PRO A 122 2.245 -13.009 3.953 1.00 0.00 H new ATOM 1295 N GLY A 123 4.984 -17.014 1.473 1.00 0.00 N ATOM 1296 CA GLY A 123 5.311 -17.703 0.239 1.00 0.00 C ATOM 1297 C GLY A 123 6.332 -16.951 -0.592 1.00 0.00 C ATOM 1298 O GLY A 123 6.355 -17.071 -1.816 1.00 0.00 O ATOM 0 H GLY A 123 5.643 -17.167 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 123 5.697 -18.696 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 123 4.403 -17.843 -0.347 1.00 0.00 H new ATOM 1302 N MET A 124 7.178 -16.172 0.075 1.00 0.00 N ATOM 1303 CA MET A 124 8.205 -15.398 -0.610 1.00 0.00 C ATOM 1304 C MET A 124 9.514 -15.416 0.173 1.00 0.00 C ATOM 1305 O MET A 124 9.601 -14.859 1.266 1.00 0.00 O ATOM 1306 CB MET A 124 7.738 -13.955 -0.811 1.00 0.00 C ATOM 1307 CG MET A 124 6.433 -13.840 -1.582 1.00 0.00 C ATOM 1308 SD MET A 124 6.650 -14.086 -3.355 1.00 0.00 S ATOM 1309 CE MET A 124 7.607 -12.633 -3.783 1.00 0.00 C ATOM 0 H MET A 124 7.172 -16.061 1.089 1.00 0.00 H new ATOM 0 HA MET A 124 8.379 -15.855 -1.584 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.618 -13.482 0.163 1.00 0.00 H new ATOM 0 HB3 MET A 124 8.513 -13.401 -1.341 1.00 0.00 H new ATOM 0 HG2 MET A 124 5.724 -14.575 -1.201 1.00 0.00 H new ATOM 0 HG3 MET A 124 5.997 -12.857 -1.406 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.149 -12.135 -4.637 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.630 -11.950 -2.934 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.624 -12.930 -4.038 1.00 0.00 H new ATOM 1319 N ASN A 125 10.529 -16.062 -0.393 1.00 0.00 N ATOM 1320 CA ASN A 125 11.832 -16.153 0.254 1.00 0.00 C ATOM 1321 C ASN A 125 12.339 -14.771 0.656 1.00 0.00 C ATOM 1322 O ASN A 125 12.935 -14.602 1.719 1.00 0.00 O ATOM 1323 CB ASN A 125 12.841 -16.827 -0.678 1.00 0.00 C ATOM 1324 CG ASN A 125 14.136 -17.178 0.028 1.00 0.00 C ATOM 1325 OD1 ASN A 125 15.208 -16.699 -0.342 1.00 0.00 O ATOM 1326 ND2 ASN A 125 14.043 -18.020 1.052 1.00 0.00 N ATOM 0 H ASN A 125 10.474 -16.530 -1.298 1.00 0.00 H new ATOM 0 HA ASN A 125 11.720 -16.755 1.156 1.00 0.00 H new ATOM 0 HB2 ASN A 125 12.399 -17.733 -1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 125 13.056 -16.165 -1.517 1.00 0.00 H new ATOM 0 HD21 ASN A 125 14.881 -18.293 1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 125 13.134 -18.393 1.325 1.00 0.00 H new ATOM 1333 N ARG A 126 12.096 -13.786 -0.203 1.00 0.00 N ATOM 1334 CA ARG A 126 12.528 -12.419 0.062 1.00 0.00 C ATOM 1335 C ARG A 126 11.370 -11.575 0.586 1.00 0.00 C ATOM 1336 O ARG A 126 10.199 -11.863 0.341 1.00 0.00 O ATOM 1337 CB ARG A 126 13.099 -11.787 -1.209 1.00 0.00 C ATOM 1338 CG ARG A 126 14.547 -12.162 -1.478 1.00 0.00 C ATOM 1339 CD ARG A 126 15.500 -11.383 -0.585 1.00 0.00 C ATOM 1340 NE ARG A 126 16.887 -11.803 -0.765 1.00 0.00 N ATOM 1341 CZ ARG A 126 17.834 -11.625 0.149 1.00 0.00 C ATOM 1342 NH1 ARG A 126 17.545 -11.037 1.302 1.00 0.00 N ATOM 1343 NH2 ARG A 126 19.074 -12.035 -0.090 1.00 0.00 N ATOM 0 H ARG A 126 11.603 -13.909 -1.087 1.00 0.00 H new ATOM 0 HA ARG A 126 13.306 -12.452 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.490 -12.090 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.022 -10.702 -1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.684 -13.231 -1.313 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.786 -11.968 -2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.413 -10.319 -0.803 1.00 0.00 H new ATOM 0 HD3 ARG A 126 15.213 -11.519 0.458 1.00 0.00 H new ATOM 0 HE ARG A 126 17.143 -12.258 -1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.594 -10.720 1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.274 -10.902 2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 126 19.300 -12.487 -0.976 1.00 0.00 H new ATOM 0 HH22 ARG A 126 19.801 -11.898 0.612 1.00 0.00 H new ATOM 1357 N PRO A 127 11.703 -10.507 1.326 1.00 0.00 N ATOM 1358 CA PRO A 127 10.706 -9.599 1.901 1.00 0.00 C ATOM 1359 C PRO A 127 10.001 -8.765 0.837 1.00 0.00 C ATOM 1360 O PRO A 127 10.192 -8.979 -0.360 1.00 0.00 O ATOM 1361 CB PRO A 127 11.533 -8.701 2.824 1.00 0.00 C ATOM 1362 CG PRO A 127 12.907 -8.731 2.249 1.00 0.00 C ATOM 1363 CD PRO A 127 13.080 -10.103 1.659 1.00 0.00 C ATOM 0 HA PRO A 127 9.910 -10.139 2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 127 11.136 -7.686 2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 127 11.524 -9.072 3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 127 13.028 -7.961 1.487 1.00 0.00 H new ATOM 0 HG3 PRO A 127 13.656 -8.540 3.018 1.00 0.00 H new ATOM 0 HD2 PRO A 127 13.718 -10.083 0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 127 13.540 -10.791 2.369 1.00 0.00 H new ATOM 1371 N ILE A 128 9.187 -7.813 1.282 1.00 0.00 N ATOM 1372 CA ILE A 128 8.455 -6.946 0.367 1.00 0.00 C ATOM 1373 C ILE A 128 9.175 -5.615 0.177 1.00 0.00 C ATOM 1374 O ILE A 128 9.553 -4.959 1.148 1.00 0.00 O ATOM 1375 CB ILE A 128 7.025 -6.675 0.870 1.00 0.00 C ATOM 1376 CG1 ILE A 128 6.236 -5.880 -0.172 1.00 0.00 C ATOM 1377 CG2 ILE A 128 7.062 -5.931 2.197 1.00 0.00 C ATOM 1378 CD1 ILE A 128 4.738 -5.944 0.026 1.00 0.00 C ATOM 0 H ILE A 128 9.018 -7.623 2.270 1.00 0.00 H new ATOM 0 HA ILE A 128 8.402 -7.468 -0.588 1.00 0.00 H new ATOM 0 HB ILE A 128 6.523 -7.630 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.554 -4.838 -0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 128 6.479 -6.257 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 128 6.044 -5.747 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 128 7.590 -6.532 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 128 7.578 -4.980 2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 128 4.243 -5.358 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 128 4.407 -6.981 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 128 4.483 -5.540 1.006 1.00 0.00 H new ATOM 1390 N GLN A 129 9.360 -5.222 -1.079 1.00 0.00 N ATOM 1391 CA GLN A 129 10.034 -3.968 -1.396 1.00 0.00 C ATOM 1392 C GLN A 129 9.023 -2.851 -1.629 1.00 0.00 C ATOM 1393 O GLN A 129 7.991 -3.057 -2.269 1.00 0.00 O ATOM 1394 CB GLN A 129 10.919 -4.138 -2.632 1.00 0.00 C ATOM 1395 CG GLN A 129 12.315 -4.649 -2.315 1.00 0.00 C ATOM 1396 CD GLN A 129 12.950 -5.377 -3.484 1.00 0.00 C ATOM 1397 OE1 GLN A 129 12.255 -5.878 -4.369 1.00 0.00 O ATOM 1398 NE2 GLN A 129 14.276 -5.438 -3.494 1.00 0.00 N ATOM 0 H GLN A 129 9.053 -5.753 -1.894 1.00 0.00 H new ATOM 0 HA GLN A 129 10.659 -3.696 -0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 129 10.436 -4.830 -3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 129 11.000 -3.180 -3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 129 12.948 -3.810 -2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 129 12.266 -5.320 -1.457 1.00 0.00 H new ATOM 0 HE21 GLN A 129 14.812 -5.009 -2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 129 14.759 -5.914 -4.256 1.00 0.00 H new ATOM 1407 N VAL A 130 9.325 -1.667 -1.106 1.00 0.00 N ATOM 1408 CA VAL A 130 8.443 -0.516 -1.258 1.00 0.00 C ATOM 1409 C VAL A 130 9.243 0.770 -1.436 1.00 0.00 C ATOM 1410 O VAL A 130 10.089 1.107 -0.608 1.00 0.00 O ATOM 1411 CB VAL A 130 7.507 -0.362 -0.045 1.00 0.00 C ATOM 1412 CG1 VAL A 130 6.608 0.853 -0.215 1.00 0.00 C ATOM 1413 CG2 VAL A 130 6.680 -1.624 0.153 1.00 0.00 C ATOM 0 H VAL A 130 10.174 -1.480 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 130 7.843 -0.693 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 130 8.117 -0.211 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 130 5.954 0.946 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 130 7.221 1.750 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 130 6.004 0.736 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 130 6.024 -1.498 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.078 -1.808 -0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.344 -2.471 0.324 1.00 0.00 H new ATOM 1423 N LYS A 131 8.969 1.485 -2.522 1.00 0.00 N ATOM 1424 CA LYS A 131 9.661 2.736 -2.809 1.00 0.00 C ATOM 1425 C LYS A 131 8.821 3.626 -3.719 1.00 0.00 C ATOM 1426 O LYS A 131 7.999 3.152 -4.504 1.00 0.00 O ATOM 1427 CB LYS A 131 11.016 2.455 -3.462 1.00 0.00 C ATOM 1428 CG LYS A 131 11.794 1.336 -2.791 1.00 0.00 C ATOM 1429 CD LYS A 131 13.169 1.162 -3.414 1.00 0.00 C ATOM 1430 CE LYS A 131 13.124 0.227 -4.612 1.00 0.00 C ATOM 1431 NZ LYS A 131 12.548 0.893 -5.814 1.00 0.00 N ATOM 0 H LYS A 131 8.272 1.219 -3.218 1.00 0.00 H new ATOM 0 HA LYS A 131 9.821 3.259 -1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 131 10.859 2.199 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 131 11.615 3.365 -3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 131 11.900 1.552 -1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.236 0.403 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 131 13.555 2.133 -3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 131 13.860 0.767 -2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 131 14.131 -0.122 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 131 12.530 -0.652 -4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 13.027 0.542 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.532 0.681 -5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 12.683 1.921 -5.739 1.00 0.00 H new ATOM 1445 N PRO A 132 9.031 4.947 -3.616 1.00 0.00 N ATOM 1446 CA PRO A 132 8.304 5.930 -4.424 1.00 0.00 C ATOM 1447 C PRO A 132 8.705 5.882 -5.894 1.00 0.00 C ATOM 1448 O PRO A 132 9.774 6.361 -6.272 1.00 0.00 O ATOM 1449 CB PRO A 132 8.709 7.269 -3.802 1.00 0.00 C ATOM 1450 CG PRO A 132 10.034 7.009 -3.173 1.00 0.00 C ATOM 1451 CD PRO A 132 9.996 5.581 -2.702 1.00 0.00 C ATOM 0 HA PRO A 132 7.229 5.749 -4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.776 8.052 -4.557 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.978 7.600 -3.064 1.00 0.00 H new ATOM 0 HG2 PRO A 132 10.842 7.163 -3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 132 10.211 7.690 -2.340 1.00 0.00 H new ATOM 0 HD2 PRO A 132 10.977 5.111 -2.764 1.00 0.00 H new ATOM 0 HD3 PRO A 132 9.673 5.509 -1.663 1.00 0.00 H new ATOM 1459 N ALA A 133 7.841 5.302 -6.720 1.00 0.00 N ATOM 1460 CA ALA A 133 8.105 5.194 -8.150 1.00 0.00 C ATOM 1461 C ALA A 133 8.878 6.406 -8.658 1.00 0.00 C ATOM 1462 O ALA A 133 9.852 6.267 -9.397 1.00 0.00 O ATOM 1463 CB ALA A 133 6.800 5.038 -8.917 1.00 0.00 C ATOM 0 H ALA A 133 6.952 4.899 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 133 8.719 4.309 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 133 7.012 4.959 -9.983 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.286 4.137 -8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.166 5.906 -8.737 1.00 0.00 H new