USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 681 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 52 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.3) USER MOD Set 1.2: A 116 MET CE :methyl 166:sc= 0 (180deg=-0.0948) USER MOD Single : A 43 HIS : no HD1:sc= -0.759 K(o=-0.76,f=-0.074) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.052 K(o=-0.052,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 14:sc= 0.0109 USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= -1.24 (180deg=-1.58) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.089 USER MOD Single : A 86 HIS : no HD1:sc= -5.41! C(o=-5.4!,f=-8.4!) USER MOD Single : A 87 LYS NZ :NH3+ -127:sc= -0.927 (180deg=-5.69!) USER MOD Single : A 89 CYS SG : rot 180:sc= -1.32 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 12:sc= 0.912 USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.47) USER MOD Single : A 105 SER OG : rot -26:sc= 0.379 USER MOD Single : A 108 HIS : no HD1:sc= 0.00518 K(o=0.0052,f=-5.5!) USER MOD Single : A 110 GLN : amide:sc= -8.69! C(o=-8.7!,f=-4.4!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -1.2! K(o=-1.2!,f=-0.021) USER MOD Single : A 121 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.003) USER MOD Single : A 123 LYS NZ :NH3+ -151:sc= -0.294 (180deg=-1.15!) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 42 0.990 13.656 -7.371 1.00 0.00 N ATOM 136 CA ASP A 42 0.428 14.912 -6.887 1.00 0.00 C ATOM 137 C ASP A 42 1.355 15.563 -5.865 1.00 0.00 C ATOM 138 O ASP A 42 2.000 14.878 -5.071 1.00 0.00 O ATOM 139 CB ASP A 42 -0.949 14.673 -6.265 1.00 0.00 C ATOM 140 CG ASP A 42 -1.665 15.966 -5.930 1.00 0.00 C ATOM 141 OD1 ASP A 42 -1.442 16.498 -4.823 1.00 0.00 O ATOM 142 OD2 ASP A 42 -2.450 16.447 -6.775 1.00 0.00 O ATOM 0 HA ASP A 42 0.322 15.586 -7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.560 14.091 -6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.837 14.078 -5.359 1.00 0.00 H new ATOM 147 N HIS A 43 1.417 16.891 -5.892 1.00 0.00 N ATOM 148 CA HIS A 43 2.266 17.635 -4.969 1.00 0.00 C ATOM 149 C HIS A 43 1.895 17.327 -3.521 1.00 0.00 C ATOM 150 O HIS A 43 2.765 17.221 -2.657 1.00 0.00 O ATOM 151 CB HIS A 43 2.144 19.137 -5.229 1.00 0.00 C ATOM 152 CG HIS A 43 0.738 19.647 -5.150 1.00 0.00 C ATOM 153 ND1 HIS A 43 0.270 20.402 -4.095 1.00 0.00 N ATOM 154 CD2 HIS A 43 -0.304 19.508 -6.003 1.00 0.00 C ATOM 155 CE1 HIS A 43 -1.000 20.704 -4.302 1.00 0.00 C ATOM 156 NE2 HIS A 43 -1.372 20.173 -5.453 1.00 0.00 N ATOM 0 H HIS A 43 0.890 17.473 -6.543 1.00 0.00 H new ATOM 0 HA HIS A 43 3.298 17.327 -5.135 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.757 19.674 -4.505 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.548 19.360 -6.217 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.297 18.974 -6.941 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.627 21.286 -3.642 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.302 20.245 -5.866 1.00 0.00 H new ATOM 165 N ASP A 44 0.600 17.183 -3.265 1.00 0.00 N ATOM 166 CA ASP A 44 0.114 16.886 -1.922 1.00 0.00 C ATOM 167 C ASP A 44 -0.392 15.450 -1.833 1.00 0.00 C ATOM 168 O ASP A 44 -1.388 15.173 -1.165 1.00 0.00 O ATOM 169 CB ASP A 44 -1.001 17.858 -1.533 1.00 0.00 C ATOM 170 CG ASP A 44 -1.274 17.860 -0.042 1.00 0.00 C ATOM 171 OD1 ASP A 44 -0.306 17.735 0.738 1.00 0.00 O ATOM 172 OD2 ASP A 44 -2.455 17.985 0.345 1.00 0.00 O ATOM 0 H ASP A 44 -0.133 17.267 -3.970 1.00 0.00 H new ATOM 0 HA ASP A 44 0.946 17.003 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.729 18.864 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.914 17.591 -2.066 1.00 0.00 H new ATOM 177 N ALA A 45 0.301 14.541 -2.510 1.00 0.00 N ATOM 178 CA ALA A 45 -0.077 13.133 -2.507 1.00 0.00 C ATOM 179 C ALA A 45 -0.039 12.558 -1.095 1.00 0.00 C ATOM 180 O ALA A 45 0.277 13.263 -0.136 1.00 0.00 O ATOM 181 CB ALA A 45 0.837 12.338 -3.427 1.00 0.00 C ATOM 0 H ALA A 45 1.128 14.754 -3.068 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.100 13.057 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.543 11.289 -3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.757 12.725 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.868 12.430 -3.084 1.00 0.00 H new ATOM 187 N ILE A 46 -0.363 11.275 -0.974 1.00 0.00 N ATOM 188 CA ILE A 46 -0.365 10.607 0.321 1.00 0.00 C ATOM 189 C ILE A 46 0.105 9.161 0.194 1.00 0.00 C ATOM 190 O ILE A 46 -0.411 8.398 -0.623 1.00 0.00 O ATOM 191 CB ILE A 46 -1.765 10.625 0.962 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.349 12.039 0.923 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.700 10.112 2.393 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.828 12.090 1.237 1.00 0.00 C ATOM 0 H ILE A 46 -0.627 10.678 -1.757 1.00 0.00 H new ATOM 0 HA ILE A 46 0.325 11.157 0.961 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.419 9.966 0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.812 12.665 1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.181 12.466 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.697 10.131 2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.322 9.090 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.034 10.747 2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.174 13.123 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.375 11.491 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.001 11.693 2.237 1.00 0.00 H new ATOM 206 N LYS A 47 1.086 8.790 1.009 1.00 0.00 N ATOM 207 CA LYS A 47 1.625 7.436 0.992 1.00 0.00 C ATOM 208 C LYS A 47 0.825 6.520 1.913 1.00 0.00 C ATOM 209 O LYS A 47 0.994 6.548 3.133 1.00 0.00 O ATOM 210 CB LYS A 47 3.095 7.444 1.416 1.00 0.00 C ATOM 211 CG LYS A 47 3.708 6.058 1.514 1.00 0.00 C ATOM 212 CD LYS A 47 5.221 6.124 1.633 1.00 0.00 C ATOM 213 CE LYS A 47 5.770 4.950 2.430 1.00 0.00 C ATOM 214 NZ LYS A 47 7.081 5.271 3.059 1.00 0.00 N ATOM 0 H LYS A 47 1.525 9.409 1.691 1.00 0.00 H new ATOM 0 HA LYS A 47 1.549 7.055 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.667 8.035 0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.183 7.940 2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.297 5.538 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.437 5.476 0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.665 6.129 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.509 7.058 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.055 4.670 3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.884 4.087 1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.421 4.446 3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.771 5.513 2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.968 6.078 3.705 1.00 0.00 H new ATOM 228 N LEU A 48 -0.046 5.709 1.322 1.00 0.00 N ATOM 229 CA LEU A 48 -0.871 4.783 2.090 1.00 0.00 C ATOM 230 C LEU A 48 -0.071 3.551 2.500 1.00 0.00 C ATOM 231 O LEU A 48 0.731 3.032 1.723 1.00 0.00 O ATOM 232 CB LEU A 48 -2.094 4.362 1.273 1.00 0.00 C ATOM 233 CG LEU A 48 -3.158 5.438 1.055 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.228 4.943 0.094 1.00 0.00 C ATOM 235 CD2 LEU A 48 -3.780 5.850 2.381 1.00 0.00 C ATOM 0 H LEU A 48 -0.199 5.674 0.314 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.203 5.295 2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.753 4.014 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.562 3.512 1.769 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.678 6.312 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.977 5.722 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.771 4.698 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.704 4.053 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.535 6.617 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.245 4.983 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.006 6.246 3.038 1.00 0.00 H new ATOM 247 N PHE A 49 -0.296 3.086 3.725 1.00 0.00 N ATOM 248 CA PHE A 49 0.404 1.914 4.238 1.00 0.00 C ATOM 249 C PHE A 49 -0.585 0.820 4.632 1.00 0.00 C ATOM 250 O PHE A 49 -1.489 1.046 5.437 1.00 0.00 O ATOM 251 CB PHE A 49 1.267 2.296 5.442 1.00 0.00 C ATOM 252 CG PHE A 49 1.488 1.163 6.404 1.00 0.00 C ATOM 253 CD1 PHE A 49 2.555 0.294 6.238 1.00 0.00 C ATOM 254 CD2 PHE A 49 0.631 0.968 7.474 1.00 0.00 C ATOM 255 CE1 PHE A 49 2.760 -0.749 7.121 1.00 0.00 C ATOM 256 CE2 PHE A 49 0.831 -0.073 8.361 1.00 0.00 C ATOM 257 CZ PHE A 49 1.898 -0.932 8.184 1.00 0.00 C ATOM 0 H PHE A 49 -0.957 3.503 4.380 1.00 0.00 H new ATOM 0 HA PHE A 49 1.047 1.530 3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.233 2.655 5.087 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.794 3.124 5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.234 0.434 5.409 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.204 1.638 7.617 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.594 -1.421 6.980 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.154 -0.214 9.191 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.058 -1.746 8.876 1.00 0.00 H new ATOM 267 N VAL A 50 -0.405 -0.366 4.060 1.00 0.00 N ATOM 268 CA VAL A 50 -1.280 -1.495 4.351 1.00 0.00 C ATOM 269 C VAL A 50 -0.606 -2.482 5.298 1.00 0.00 C ATOM 270 O VAL A 50 0.567 -2.813 5.134 1.00 0.00 O ATOM 271 CB VAL A 50 -1.690 -2.234 3.063 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.647 -3.373 3.382 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.312 -1.266 2.069 1.00 0.00 C ATOM 0 H VAL A 50 0.339 -0.570 3.392 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.172 -1.090 4.828 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.795 -2.660 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.926 -3.883 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.161 -4.079 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.541 -2.974 3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.596 -1.805 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.197 -0.809 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.590 -0.489 1.817 1.00 0.00 H new ATOM 283 N GLY A 51 -1.358 -2.949 6.290 1.00 0.00 N ATOM 284 CA GLY A 51 -0.817 -3.895 7.249 1.00 0.00 C ATOM 285 C GLY A 51 -1.715 -5.100 7.445 1.00 0.00 C ATOM 286 O GLY A 51 -1.765 -5.674 8.532 1.00 0.00 O ATOM 0 H GLY A 51 -2.332 -2.689 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.164 -4.228 6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.672 -3.394 8.206 1.00 0.00 H new ATOM 290 N GLN A 52 -2.427 -5.484 6.390 1.00 0.00 N ATOM 291 CA GLN A 52 -3.329 -6.627 6.453 1.00 0.00 C ATOM 292 C GLN A 52 -3.154 -7.526 5.234 1.00 0.00 C ATOM 293 O GLN A 52 -4.129 -8.033 4.678 1.00 0.00 O ATOM 294 CB GLN A 52 -4.781 -6.154 6.548 1.00 0.00 C ATOM 295 CG GLN A 52 -5.146 -5.582 7.908 1.00 0.00 C ATOM 296 CD GLN A 52 -5.144 -6.631 9.002 1.00 0.00 C ATOM 297 OE1 GLN A 52 -5.705 -7.715 8.840 1.00 0.00 O ATOM 298 NE2 GLN A 52 -4.511 -6.315 10.126 1.00 0.00 N ATOM 0 H GLN A 52 -2.396 -5.020 5.482 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.083 -7.203 7.345 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.958 -5.396 5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.443 -6.991 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.441 -4.792 8.166 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.133 -5.123 7.852 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.059 -5.405 10.218 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.477 -6.982 10.897 1.00 0.00 H new ATOM 307 N ILE A 53 -1.905 -7.720 4.822 1.00 0.00 N ATOM 308 CA ILE A 53 -1.603 -8.559 3.669 1.00 0.00 C ATOM 309 C ILE A 53 -1.040 -9.908 4.103 1.00 0.00 C ATOM 310 O ILE A 53 0.007 -9.995 4.745 1.00 0.00 O ATOM 311 CB ILE A 53 -0.597 -7.876 2.724 1.00 0.00 C ATOM 312 CG1 ILE A 53 -1.101 -6.487 2.325 1.00 0.00 C ATOM 313 CG2 ILE A 53 -0.362 -8.734 1.490 1.00 0.00 C ATOM 314 CD1 ILE A 53 -0.029 -5.605 1.725 1.00 0.00 C ATOM 0 H ILE A 53 -1.087 -7.308 5.270 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.542 -8.714 3.137 1.00 0.00 H new ATOM 0 HB ILE A 53 0.351 -7.761 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.914 -6.597 1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.516 -5.994 3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.351 -8.238 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.036 -9.703 1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.304 -8.877 0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.457 -4.637 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.774 -5.465 2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.370 -6.077 0.827 1.00 0.00 H new ATOM 326 N PRO A 54 -1.750 -10.988 3.744 1.00 0.00 N ATOM 327 CA PRO A 54 -1.339 -12.354 4.084 1.00 0.00 C ATOM 328 C PRO A 54 -0.097 -12.794 3.316 1.00 0.00 C ATOM 329 O PRO A 54 0.463 -12.028 2.532 1.00 0.00 O ATOM 330 CB PRO A 54 -2.548 -13.200 3.675 1.00 0.00 C ATOM 331 CG PRO A 54 -3.228 -12.403 2.617 1.00 0.00 C ATOM 332 CD PRO A 54 -3.008 -10.960 2.979 1.00 0.00 C ATOM 0 HA PRO A 54 -1.071 -12.449 5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.239 -14.175 3.299 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.210 -13.380 4.522 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.814 -12.626 1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.292 -12.637 2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.925 -10.331 2.092 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.831 -10.565 3.574 1.00 0.00 H new ATOM 340 N ARG A 55 0.328 -14.031 3.547 1.00 0.00 N ATOM 341 CA ARG A 55 1.505 -14.572 2.877 1.00 0.00 C ATOM 342 C ARG A 55 1.105 -15.396 1.656 1.00 0.00 C ATOM 343 O ARG A 55 0.422 -16.413 1.777 1.00 0.00 O ATOM 344 CB ARG A 55 2.317 -15.436 3.844 1.00 0.00 C ATOM 345 CG ARG A 55 3.721 -15.744 3.353 1.00 0.00 C ATOM 346 CD ARG A 55 4.507 -16.546 4.379 1.00 0.00 C ATOM 347 NE ARG A 55 5.137 -15.688 5.378 1.00 0.00 N ATOM 348 CZ ARG A 55 5.491 -16.106 6.588 1.00 0.00 C ATOM 349 NH1 ARG A 55 5.279 -17.365 6.946 1.00 0.00 N ATOM 350 NH2 ARG A 55 6.060 -15.265 7.442 1.00 0.00 N ATOM 0 H ARG A 55 -0.125 -14.678 4.193 1.00 0.00 H new ATOM 0 HA ARG A 55 2.119 -13.735 2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.381 -14.928 4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.787 -16.373 4.013 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.666 -16.302 2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.245 -14.813 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.841 -17.251 4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.272 -17.133 3.871 1.00 0.00 H new ATOM 0 HE ARG A 55 5.315 -14.714 5.133 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.843 -18.015 6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.552 -17.684 7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.226 -14.296 7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.331 -15.587 8.371 1.00 0.00 H new ATOM 364 N GLY A 56 1.534 -14.949 0.480 1.00 0.00 N ATOM 365 CA GLY A 56 1.211 -15.656 -0.745 1.00 0.00 C ATOM 366 C GLY A 56 0.872 -14.715 -1.885 1.00 0.00 C ATOM 367 O GLY A 56 0.949 -15.092 -3.055 1.00 0.00 O ATOM 0 H GLY A 56 2.100 -14.110 0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.056 -16.282 -1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.367 -16.322 -0.565 1.00 0.00 H new ATOM 371 N LEU A 57 0.493 -13.488 -1.544 1.00 0.00 N ATOM 372 CA LEU A 57 0.138 -12.491 -2.548 1.00 0.00 C ATOM 373 C LEU A 57 1.297 -11.530 -2.793 1.00 0.00 C ATOM 374 O LEU A 57 2.110 -11.281 -1.903 1.00 0.00 O ATOM 375 CB LEU A 57 -1.101 -11.711 -2.104 1.00 0.00 C ATOM 376 CG LEU A 57 -2.322 -12.550 -1.726 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.361 -11.692 -1.020 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.920 -13.208 -2.960 1.00 0.00 C ATOM 0 H LEU A 57 0.424 -13.160 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.082 -13.011 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.830 -11.094 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.386 -11.032 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.002 -13.335 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.223 -12.306 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.928 -11.269 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.677 -10.886 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.788 -13.801 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.225 -12.440 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.176 -13.856 -3.424 1.00 0.00 H new ATOM 390 N ASP A 58 1.365 -10.991 -4.006 1.00 0.00 N ATOM 391 CA ASP A 58 2.423 -10.054 -4.368 1.00 0.00 C ATOM 392 C ASP A 58 1.837 -8.709 -4.786 1.00 0.00 C ATOM 393 O ASP A 58 0.628 -8.495 -4.701 1.00 0.00 O ATOM 394 CB ASP A 58 3.275 -10.627 -5.501 1.00 0.00 C ATOM 395 CG ASP A 58 3.838 -11.995 -5.167 1.00 0.00 C ATOM 396 OD1 ASP A 58 3.052 -12.879 -4.766 1.00 0.00 O ATOM 397 OD2 ASP A 58 5.064 -12.182 -5.308 1.00 0.00 O ATOM 0 H ASP A 58 0.700 -11.187 -4.755 1.00 0.00 H new ATOM 0 HA ASP A 58 3.053 -9.899 -3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.672 -10.697 -6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.095 -9.942 -5.717 1.00 0.00 H new ATOM 402 N GLU A 59 2.703 -7.806 -5.236 1.00 0.00 N ATOM 403 CA GLU A 59 2.271 -6.481 -5.665 1.00 0.00 C ATOM 404 C GLU A 59 1.240 -6.582 -6.785 1.00 0.00 C ATOM 405 O GLU A 59 0.331 -5.757 -6.882 1.00 0.00 O ATOM 406 CB GLU A 59 3.471 -5.656 -6.133 1.00 0.00 C ATOM 407 CG GLU A 59 4.609 -5.612 -5.128 1.00 0.00 C ATOM 408 CD GLU A 59 5.966 -5.469 -5.789 1.00 0.00 C ATOM 409 OE1 GLU A 59 6.039 -4.840 -6.865 1.00 0.00 O ATOM 410 OE2 GLU A 59 6.955 -5.986 -5.229 1.00 0.00 O ATOM 0 H GLU A 59 3.707 -7.968 -5.313 1.00 0.00 H new ATOM 0 HA GLU A 59 1.808 -5.983 -4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.842 -6.069 -7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.142 -4.638 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.453 -4.778 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.595 -6.522 -4.529 1.00 0.00 H new ATOM 417 N GLN A 60 1.389 -7.597 -7.630 1.00 0.00 N ATOM 418 CA GLN A 60 0.472 -7.805 -8.744 1.00 0.00 C ATOM 419 C GLN A 60 -0.891 -8.276 -8.248 1.00 0.00 C ATOM 420 O GLN A 60 -1.896 -8.144 -8.945 1.00 0.00 O ATOM 421 CB GLN A 60 1.051 -8.825 -9.726 1.00 0.00 C ATOM 422 CG GLN A 60 1.206 -10.217 -9.135 1.00 0.00 C ATOM 423 CD GLN A 60 2.180 -11.078 -9.915 1.00 0.00 C ATOM 424 OE1 GLN A 60 2.774 -10.629 -10.896 1.00 0.00 O ATOM 425 NE2 GLN A 60 2.349 -12.322 -9.483 1.00 0.00 N ATOM 0 H GLN A 60 2.136 -8.288 -7.564 1.00 0.00 H new ATOM 0 HA GLN A 60 0.342 -6.852 -9.256 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.405 -8.881 -10.602 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.024 -8.475 -10.070 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.547 -10.133 -8.103 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.233 -10.707 -9.110 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.836 -12.652 -8.666 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.992 -12.948 -9.969 1.00 0.00 H new ATOM 434 N ASP A 61 -0.916 -8.826 -7.039 1.00 0.00 N ATOM 435 CA ASP A 61 -2.156 -9.316 -6.448 1.00 0.00 C ATOM 436 C ASP A 61 -2.885 -8.198 -5.708 1.00 0.00 C ATOM 437 O ASP A 61 -4.112 -8.208 -5.601 1.00 0.00 O ATOM 438 CB ASP A 61 -1.867 -10.474 -5.491 1.00 0.00 C ATOM 439 CG ASP A 61 -1.132 -11.614 -6.167 1.00 0.00 C ATOM 440 OD1 ASP A 61 0.030 -11.410 -6.578 1.00 0.00 O ATOM 441 OD2 ASP A 61 -1.717 -12.710 -6.284 1.00 0.00 O ATOM 0 H ASP A 61 -0.092 -8.944 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.798 -9.672 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.273 -10.109 -4.653 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.806 -10.844 -5.079 1.00 0.00 H new ATOM 446 N LEU A 62 -2.123 -7.237 -5.200 1.00 0.00 N ATOM 447 CA LEU A 62 -2.696 -6.112 -4.469 1.00 0.00 C ATOM 448 C LEU A 62 -3.038 -4.965 -5.416 1.00 0.00 C ATOM 449 O LEU A 62 -4.042 -4.276 -5.236 1.00 0.00 O ATOM 450 CB LEU A 62 -1.721 -5.627 -3.394 1.00 0.00 C ATOM 451 CG LEU A 62 -1.504 -6.570 -2.211 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.360 -6.078 -1.338 1.00 0.00 C ATOM 453 CD2 LEU A 62 -2.781 -6.703 -1.394 1.00 0.00 C ATOM 0 H LEU A 62 -1.106 -7.214 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.615 -6.451 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.756 -5.439 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.080 -4.672 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.240 -7.554 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.221 -6.762 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.556 -6.035 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.594 -5.083 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.608 -7.378 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.075 -5.724 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.576 -7.103 -2.024 1.00 0.00 H new ATOM 465 N LYS A 63 -2.198 -4.768 -6.426 1.00 0.00 N ATOM 466 CA LYS A 63 -2.412 -3.708 -7.404 1.00 0.00 C ATOM 467 C LYS A 63 -3.857 -3.702 -7.892 1.00 0.00 C ATOM 468 O LYS A 63 -4.512 -2.661 -7.955 1.00 0.00 O ATOM 469 CB LYS A 63 -1.462 -3.882 -8.591 1.00 0.00 C ATOM 470 CG LYS A 63 -0.176 -3.083 -8.464 1.00 0.00 C ATOM 471 CD LYS A 63 0.660 -3.167 -9.730 1.00 0.00 C ATOM 472 CE LYS A 63 2.141 -2.990 -9.432 1.00 0.00 C ATOM 473 NZ LYS A 63 2.976 -3.150 -10.654 1.00 0.00 N ATOM 0 H LYS A 63 -1.362 -5.329 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.207 -2.753 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.215 -4.938 -8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.977 -3.583 -9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.414 -2.040 -8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.403 -3.456 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.497 -4.131 -10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.335 -2.400 -10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.310 -2.002 -9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.450 -3.719 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.979 -3.022 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.835 -4.102 -11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.699 -2.438 -11.360 1.00 0.00 H new ATOM 487 N PRO A 64 -4.368 -4.891 -8.245 1.00 0.00 N ATOM 488 CA PRO A 64 -5.742 -5.049 -8.732 1.00 0.00 C ATOM 489 C PRO A 64 -6.756 -4.331 -7.847 1.00 0.00 C ATOM 490 O PRO A 64 -7.616 -3.599 -8.339 1.00 0.00 O ATOM 491 CB PRO A 64 -5.964 -6.562 -8.681 1.00 0.00 C ATOM 492 CG PRO A 64 -4.601 -7.150 -8.807 1.00 0.00 C ATOM 493 CD PRO A 64 -3.645 -6.173 -8.196 1.00 0.00 C ATOM 0 HA PRO A 64 -5.876 -4.618 -9.724 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.439 -6.861 -7.747 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.615 -6.894 -9.490 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.547 -8.112 -8.298 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.353 -7.329 -9.853 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.391 -6.449 -7.173 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.710 -6.126 -8.755 1.00 0.00 H new ATOM 501 N LEU A 65 -6.651 -4.546 -6.541 1.00 0.00 N ATOM 502 CA LEU A 65 -7.560 -3.919 -5.587 1.00 0.00 C ATOM 503 C LEU A 65 -7.392 -2.403 -5.590 1.00 0.00 C ATOM 504 O LEU A 65 -8.345 -1.663 -5.833 1.00 0.00 O ATOM 505 CB LEU A 65 -7.312 -4.468 -4.181 1.00 0.00 C ATOM 506 CG LEU A 65 -7.939 -5.828 -3.871 1.00 0.00 C ATOM 507 CD1 LEU A 65 -7.698 -6.208 -2.418 1.00 0.00 C ATOM 508 CD2 LEU A 65 -9.429 -5.811 -4.179 1.00 0.00 C ATOM 0 H LEU A 65 -5.946 -5.149 -6.118 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.581 -4.153 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.236 -4.543 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.688 -3.744 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.466 -6.578 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.151 -7.178 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.626 -6.262 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.144 -5.456 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.859 -6.787 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.918 -5.050 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.580 -5.584 -5.234 1.00 0.00 H new ATOM 520 N PHE A 66 -6.172 -1.948 -5.322 1.00 0.00 N ATOM 521 CA PHE A 66 -5.879 -0.519 -5.296 1.00 0.00 C ATOM 522 C PHE A 66 -6.227 0.132 -6.631 1.00 0.00 C ATOM 523 O PHE A 66 -6.534 1.322 -6.690 1.00 0.00 O ATOM 524 CB PHE A 66 -4.402 -0.287 -4.972 1.00 0.00 C ATOM 525 CG PHE A 66 -3.982 -0.854 -3.646 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.689 -0.551 -2.493 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.881 -1.689 -3.552 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.305 -1.071 -1.272 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.492 -2.212 -2.333 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.205 -1.904 -1.192 1.00 0.00 C ATOM 0 H PHE A 66 -5.371 -2.547 -5.120 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.491 -0.061 -4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.792 -0.732 -5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.201 0.784 -4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.550 0.099 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.320 -1.934 -4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.864 -0.827 -0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.631 -2.861 -2.273 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.904 -2.313 -0.239 1.00 0.00 H new ATOM 540 N GLU A 67 -6.177 -0.657 -7.699 1.00 0.00 N ATOM 541 CA GLU A 67 -6.486 -0.157 -9.033 1.00 0.00 C ATOM 542 C GLU A 67 -7.995 -0.064 -9.244 1.00 0.00 C ATOM 543 O GLU A 67 -8.459 0.374 -10.296 1.00 0.00 O ATOM 544 CB GLU A 67 -5.866 -1.063 -10.099 1.00 0.00 C ATOM 545 CG GLU A 67 -4.432 -0.700 -10.447 1.00 0.00 C ATOM 546 CD GLU A 67 -4.344 0.298 -11.585 1.00 0.00 C ATOM 547 OE1 GLU A 67 -5.144 0.184 -12.537 1.00 0.00 O ATOM 548 OE2 GLU A 67 -3.474 1.192 -11.525 1.00 0.00 O ATOM 0 H GLU A 67 -5.925 -1.645 -7.667 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.061 0.843 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.896 -2.095 -9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.474 -1.015 -11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.942 -0.285 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.888 -1.604 -10.719 1.00 0.00 H new ATOM 555 N GLU A 68 -8.754 -0.482 -8.235 1.00 0.00 N ATOM 556 CA GLU A 68 -10.210 -0.447 -8.311 1.00 0.00 C ATOM 557 C GLU A 68 -10.737 0.953 -8.011 1.00 0.00 C ATOM 558 O GLU A 68 -11.868 1.291 -8.361 1.00 0.00 O ATOM 559 CB GLU A 68 -10.817 -1.454 -7.332 1.00 0.00 C ATOM 560 CG GLU A 68 -12.263 -1.806 -7.640 1.00 0.00 C ATOM 561 CD GLU A 68 -12.847 -2.793 -6.648 1.00 0.00 C ATOM 562 OE1 GLU A 68 -12.402 -3.960 -6.642 1.00 0.00 O ATOM 563 OE2 GLU A 68 -13.748 -2.399 -5.878 1.00 0.00 O ATOM 0 H GLU A 68 -8.385 -0.848 -7.357 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.503 -0.716 -9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.219 -2.365 -7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.758 -1.048 -6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.863 -0.896 -7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.325 -2.226 -8.644 1.00 0.00 H new ATOM 570 N PHE A 69 -9.910 1.764 -7.360 1.00 0.00 N ATOM 571 CA PHE A 69 -10.292 3.127 -7.010 1.00 0.00 C ATOM 572 C PHE A 69 -9.582 4.138 -7.906 1.00 0.00 C ATOM 573 O PHE A 69 -10.210 5.030 -8.473 1.00 0.00 O ATOM 574 CB PHE A 69 -9.965 3.411 -5.543 1.00 0.00 C ATOM 575 CG PHE A 69 -10.704 2.523 -4.582 1.00 0.00 C ATOM 576 CD1 PHE A 69 -11.952 2.887 -4.102 1.00 0.00 C ATOM 577 CD2 PHE A 69 -10.151 1.325 -4.159 1.00 0.00 C ATOM 578 CE1 PHE A 69 -12.633 2.073 -3.217 1.00 0.00 C ATOM 579 CE2 PHE A 69 -10.828 0.507 -3.275 1.00 0.00 C ATOM 580 CZ PHE A 69 -12.071 0.881 -2.804 1.00 0.00 C ATOM 0 H PHE A 69 -8.970 1.501 -7.064 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.367 3.226 -7.161 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.893 3.289 -5.388 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.203 4.451 -5.321 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.397 3.817 -4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.179 1.027 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.604 2.369 -2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.385 -0.424 -2.953 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.603 0.243 -2.114 1.00 0.00 H new ATOM 590 N GLY A 70 -8.266 3.989 -8.027 1.00 0.00 N ATOM 591 CA GLY A 70 -7.490 4.896 -8.854 1.00 0.00 C ATOM 592 C GLY A 70 -6.224 4.255 -9.387 1.00 0.00 C ATOM 593 O GLY A 70 -5.800 3.206 -8.901 1.00 0.00 O ATOM 0 H GLY A 70 -7.724 3.257 -7.568 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.102 5.234 -9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.229 5.780 -8.272 1.00 0.00 H new ATOM 597 N ARG A 71 -5.620 4.886 -10.388 1.00 0.00 N ATOM 598 CA ARG A 71 -4.396 4.369 -10.989 1.00 0.00 C ATOM 599 C ARG A 71 -3.226 4.473 -10.015 1.00 0.00 C ATOM 600 O ARG A 71 -2.777 5.571 -9.685 1.00 0.00 O ATOM 601 CB ARG A 71 -4.073 5.132 -12.275 1.00 0.00 C ATOM 602 CG ARG A 71 -3.094 4.407 -13.184 1.00 0.00 C ATOM 603 CD ARG A 71 -2.250 5.384 -13.986 1.00 0.00 C ATOM 604 NE ARG A 71 -2.870 5.723 -15.264 1.00 0.00 N ATOM 605 CZ ARG A 71 -2.789 4.957 -16.347 1.00 0.00 C ATOM 606 NH1 ARG A 71 -2.116 3.815 -16.306 1.00 0.00 N ATOM 607 NH2 ARG A 71 -3.381 5.333 -17.473 1.00 0.00 N ATOM 0 H ARG A 71 -5.958 5.756 -10.800 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.554 3.317 -11.228 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.998 5.313 -12.822 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.661 6.107 -12.015 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.444 3.769 -12.585 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.642 3.755 -13.864 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.098 6.293 -13.405 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.266 4.951 -14.164 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.394 6.596 -15.329 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.659 3.523 -15.442 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.055 3.229 -17.138 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.899 6.211 -17.508 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.318 4.744 -18.304 1.00 0.00 H new ATOM 621 N ILE A 72 -2.739 3.324 -9.559 1.00 0.00 N ATOM 622 CA ILE A 72 -1.621 3.287 -8.624 1.00 0.00 C ATOM 623 C ILE A 72 -0.390 3.969 -9.211 1.00 0.00 C ATOM 624 O ILE A 72 -0.189 3.973 -10.426 1.00 0.00 O ATOM 625 CB ILE A 72 -1.258 1.840 -8.239 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.473 1.129 -7.639 1.00 0.00 C ATOM 627 CG2 ILE A 72 -0.094 1.830 -7.259 1.00 0.00 C ATOM 628 CD1 ILE A 72 -2.372 -0.380 -7.683 1.00 0.00 C ATOM 0 H ILE A 72 -3.101 2.407 -9.821 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.939 3.824 -7.730 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.955 1.304 -9.139 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.595 1.447 -6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.369 1.441 -8.176 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.151 0.801 -6.996 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.773 2.304 -7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.372 2.378 -6.359 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.267 -0.818 -7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.280 -0.709 -8.718 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.495 -0.703 -7.121 1.00 0.00 H new ATOM 640 N TYR A 73 0.432 4.544 -8.340 1.00 0.00 N ATOM 641 CA TYR A 73 1.644 5.230 -8.772 1.00 0.00 C ATOM 642 C TYR A 73 2.880 4.381 -8.491 1.00 0.00 C ATOM 643 O TYR A 73 3.845 4.400 -9.254 1.00 0.00 O ATOM 644 CB TYR A 73 1.769 6.581 -8.066 1.00 0.00 C ATOM 645 CG TYR A 73 3.069 7.297 -8.354 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.257 6.885 -7.762 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.110 8.385 -9.217 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.448 7.536 -8.021 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.296 9.041 -9.484 1.00 0.00 C ATOM 650 CZ TYR A 73 5.462 8.613 -8.883 1.00 0.00 C ATOM 651 OH TYR A 73 6.645 9.265 -9.145 1.00 0.00 O ATOM 0 H TYR A 73 0.281 4.549 -7.331 1.00 0.00 H new ATOM 0 HA TYR A 73 1.575 5.394 -9.847 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.938 7.218 -8.369 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.678 6.429 -6.990 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.249 6.041 -7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.199 8.724 -9.687 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.362 7.204 -7.552 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.311 9.884 -10.159 1.00 0.00 H new ATOM 0 HH TYR A 73 6.482 10.000 -9.773 1.00 0.00 H new ATOM 661 N GLU A 74 2.840 3.636 -7.391 1.00 0.00 N ATOM 662 CA GLU A 74 3.957 2.780 -7.008 1.00 0.00 C ATOM 663 C GLU A 74 3.609 1.948 -5.777 1.00 0.00 C ATOM 664 O GLU A 74 3.285 2.490 -4.719 1.00 0.00 O ATOM 665 CB GLU A 74 5.204 3.623 -6.732 1.00 0.00 C ATOM 666 CG GLU A 74 6.465 2.798 -6.535 1.00 0.00 C ATOM 667 CD GLU A 74 7.728 3.589 -6.813 1.00 0.00 C ATOM 668 OE1 GLU A 74 8.258 4.211 -5.868 1.00 0.00 O ATOM 669 OE2 GLU A 74 8.187 3.586 -7.974 1.00 0.00 O ATOM 0 H GLU A 74 2.047 3.608 -6.750 1.00 0.00 H new ATOM 0 HA GLU A 74 4.162 2.102 -7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.357 4.313 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.033 4.228 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.493 2.423 -5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.433 1.929 -7.192 1.00 0.00 H new ATOM 676 N LEU A 75 3.677 0.630 -5.923 1.00 0.00 N ATOM 677 CA LEU A 75 3.368 -0.279 -4.823 1.00 0.00 C ATOM 678 C LEU A 75 4.568 -1.161 -4.493 1.00 0.00 C ATOM 679 O LEU A 75 5.167 -1.770 -5.380 1.00 0.00 O ATOM 680 CB LEU A 75 2.162 -1.150 -5.179 1.00 0.00 C ATOM 681 CG LEU A 75 1.856 -2.297 -4.216 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.664 -1.772 -2.802 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.624 -3.064 -4.674 1.00 0.00 C ATOM 0 H LEU A 75 3.943 0.166 -6.791 1.00 0.00 H new ATOM 0 HA LEU A 75 3.128 0.320 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.282 -0.510 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.322 -1.569 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 75 2.705 -2.980 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.447 -2.604 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.574 -1.269 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.833 -1.066 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.421 -3.877 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.233 -2.391 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.800 -3.475 -5.668 1.00 0.00 H new ATOM 695 N THR A 76 4.912 -1.228 -3.211 1.00 0.00 N ATOM 696 CA THR A 76 6.038 -2.036 -2.763 1.00 0.00 C ATOM 697 C THR A 76 5.717 -2.749 -1.454 1.00 0.00 C ATOM 698 O THR A 76 5.570 -2.114 -0.410 1.00 0.00 O ATOM 699 CB THR A 76 7.304 -1.179 -2.570 1.00 0.00 C ATOM 700 OG1 THR A 76 7.894 -0.886 -3.841 1.00 0.00 O ATOM 701 CG2 THR A 76 8.315 -1.898 -1.689 1.00 0.00 C ATOM 0 H THR A 76 4.426 -0.732 -2.464 1.00 0.00 H new ATOM 0 HA THR A 76 6.224 -2.776 -3.541 1.00 0.00 H new ATOM 0 HB THR A 76 7.016 -0.249 -2.080 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.259 -1.105 -4.555 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.200 -1.274 -1.567 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.872 -2.094 -0.713 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.598 -2.842 -2.155 1.00 0.00 H new ATOM 709 N VAL A 77 5.611 -4.073 -1.517 1.00 0.00 N ATOM 710 CA VAL A 77 5.310 -4.872 -0.336 1.00 0.00 C ATOM 711 C VAL A 77 6.585 -5.281 0.392 1.00 0.00 C ATOM 712 O VAL A 77 7.498 -5.854 -0.206 1.00 0.00 O ATOM 713 CB VAL A 77 4.513 -6.139 -0.704 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.241 -6.934 -1.777 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.271 -6.993 0.532 1.00 0.00 C ATOM 0 H VAL A 77 5.729 -4.614 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 77 4.705 -4.248 0.322 1.00 0.00 H new ATOM 0 HB VAL A 77 3.545 -5.836 -1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.664 -7.825 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.358 -6.319 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.223 -7.229 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.707 -7.883 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.228 -7.289 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.705 -6.419 1.266 1.00 0.00 H new ATOM 725 N LEU A 78 6.643 -4.984 1.685 1.00 0.00 N ATOM 726 CA LEU A 78 7.808 -5.322 2.496 1.00 0.00 C ATOM 727 C LEU A 78 7.854 -6.818 2.788 1.00 0.00 C ATOM 728 O LEU A 78 6.822 -7.449 3.019 1.00 0.00 O ATOM 729 CB LEU A 78 7.785 -4.535 3.808 1.00 0.00 C ATOM 730 CG LEU A 78 7.856 -3.013 3.680 1.00 0.00 C ATOM 731 CD1 LEU A 78 7.106 -2.346 4.822 1.00 0.00 C ATOM 732 CD2 LEU A 78 9.304 -2.547 3.646 1.00 0.00 C ATOM 0 H LEU A 78 5.897 -4.510 2.195 1.00 0.00 H new ATOM 0 HA LEU A 78 8.702 -5.054 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.873 -4.792 4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.622 -4.867 4.422 1.00 0.00 H new ATOM 0 HG LEU A 78 7.381 -2.724 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.167 -1.263 4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.061 -2.654 4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.551 -2.642 5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.335 -1.461 3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.805 -2.848 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.811 -2.997 2.793 1.00 0.00 H new ATOM 744 N LYS A 79 9.057 -7.381 2.778 1.00 0.00 N ATOM 745 CA LYS A 79 9.239 -8.803 3.045 1.00 0.00 C ATOM 746 C LYS A 79 10.472 -9.040 3.912 1.00 0.00 C ATOM 747 O LYS A 79 11.480 -8.345 3.778 1.00 0.00 O ATOM 748 CB LYS A 79 9.371 -9.576 1.732 1.00 0.00 C ATOM 749 CG LYS A 79 8.178 -9.409 0.806 1.00 0.00 C ATOM 750 CD LYS A 79 8.241 -10.377 -0.364 1.00 0.00 C ATOM 751 CE LYS A 79 7.167 -10.072 -1.398 1.00 0.00 C ATOM 752 NZ LYS A 79 7.575 -8.970 -2.312 1.00 0.00 N ATOM 0 H LYS A 79 9.921 -6.874 2.588 1.00 0.00 H new ATOM 0 HA LYS A 79 8.362 -9.161 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.271 -9.245 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.502 -10.635 1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.257 -9.572 1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.147 -8.386 0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.224 -10.321 -0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.118 -11.397 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.959 -10.969 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.241 -9.799 -0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.785 -8.735 -2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.831 -8.132 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.394 -9.273 -2.877 1.00 0.00 H new ATOM 766 N ASP A 80 10.385 -10.025 4.800 1.00 0.00 N ATOM 767 CA ASP A 80 11.494 -10.355 5.687 1.00 0.00 C ATOM 768 C ASP A 80 12.822 -10.304 4.938 1.00 0.00 C ATOM 769 O ASP A 80 12.856 -10.357 3.709 1.00 0.00 O ATOM 770 CB ASP A 80 11.292 -11.743 6.296 1.00 0.00 C ATOM 771 CG ASP A 80 12.071 -11.929 7.583 1.00 0.00 C ATOM 772 OD1 ASP A 80 13.313 -12.041 7.514 1.00 0.00 O ATOM 773 OD2 ASP A 80 11.439 -11.964 8.660 1.00 0.00 O ATOM 0 H ASP A 80 9.558 -10.609 4.924 1.00 0.00 H new ATOM 0 HA ASP A 80 11.519 -9.615 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.231 -11.900 6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.600 -12.501 5.576 1.00 0.00 H new ATOM 778 N ARG A 81 13.915 -10.198 5.688 1.00 0.00 N ATOM 779 CA ARG A 81 15.245 -10.137 5.095 1.00 0.00 C ATOM 780 C ARG A 81 16.010 -11.434 5.342 1.00 0.00 C ATOM 781 O ARG A 81 16.767 -11.893 4.485 1.00 0.00 O ATOM 782 CB ARG A 81 16.028 -8.954 5.668 1.00 0.00 C ATOM 783 CG ARG A 81 17.355 -8.707 4.970 1.00 0.00 C ATOM 784 CD ARG A 81 17.960 -7.372 5.379 1.00 0.00 C ATOM 785 NE ARG A 81 19.225 -7.113 4.698 1.00 0.00 N ATOM 786 CZ ARG A 81 19.311 -6.697 3.440 1.00 0.00 C ATOM 787 NH1 ARG A 81 18.211 -6.493 2.729 1.00 0.00 N ATOM 788 NH2 ARG A 81 20.500 -6.483 2.890 1.00 0.00 N ATOM 0 H ARG A 81 13.905 -10.153 6.707 1.00 0.00 H new ATOM 0 HA ARG A 81 15.130 -10.002 4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 81 15.416 -8.055 5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 81 16.212 -9.130 6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 81 18.050 -9.512 5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.208 -8.726 3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.256 -6.571 5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 81 18.120 -7.362 6.457 1.00 0.00 H new ATOM 0 HE ARG A 81 20.091 -7.260 5.217 1.00 0.00 H new ATOM 0 HH11 ARG A 81 17.295 -6.656 3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.280 -6.173 1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 81 21.349 -6.638 3.434 1.00 0.00 H new ATOM 0 HH22 ARG A 81 20.565 -6.163 1.924 1.00 0.00 H new ATOM 802 N LEU A 82 15.809 -12.019 6.517 1.00 0.00 N ATOM 803 CA LEU A 82 16.480 -13.263 6.877 1.00 0.00 C ATOM 804 C LEU A 82 15.860 -14.448 6.144 1.00 0.00 C ATOM 805 O LEU A 82 16.566 -15.345 5.682 1.00 0.00 O ATOM 806 CB LEU A 82 16.404 -13.488 8.389 1.00 0.00 C ATOM 807 CG LEU A 82 17.442 -12.745 9.230 1.00 0.00 C ATOM 808 CD1 LEU A 82 17.050 -12.764 10.700 1.00 0.00 C ATOM 809 CD2 LEU A 82 18.822 -13.356 9.037 1.00 0.00 C ATOM 0 H LEU A 82 15.187 -11.652 7.237 1.00 0.00 H new ATOM 0 HA LEU A 82 17.526 -13.182 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.411 -13.195 8.731 1.00 0.00 H new ATOM 0 HB3 LEU A 82 16.505 -14.556 8.583 1.00 0.00 H new ATOM 0 HG LEU A 82 17.476 -11.708 8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 82 17.800 -12.231 11.284 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.082 -12.280 10.825 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.987 -13.796 11.046 1.00 0.00 H new ATOM 0 HD21 LEU A 82 19.548 -12.814 9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 82 18.803 -14.402 9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.105 -13.290 7.987 1.00 0.00 H new ATOM 821 N THR A 83 14.535 -14.445 6.039 1.00 0.00 N ATOM 822 CA THR A 83 13.819 -15.519 5.361 1.00 0.00 C ATOM 823 C THR A 83 13.385 -15.093 3.963 1.00 0.00 C ATOM 824 O THR A 83 13.345 -15.905 3.040 1.00 0.00 O ATOM 825 CB THR A 83 12.579 -15.959 6.160 1.00 0.00 C ATOM 826 OG1 THR A 83 11.703 -14.844 6.359 1.00 0.00 O ATOM 827 CG2 THR A 83 12.981 -16.542 7.506 1.00 0.00 C ATOM 0 H THR A 83 13.935 -13.710 6.415 1.00 0.00 H new ATOM 0 HA THR A 83 14.509 -16.360 5.284 1.00 0.00 H new ATOM 0 HB THR A 83 12.061 -16.729 5.589 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.916 -15.133 6.867 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.088 -16.846 8.052 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.623 -17.409 7.350 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.520 -15.790 8.082 1.00 0.00 H new ATOM 835 N GLY A 84 13.059 -13.812 3.814 1.00 0.00 N ATOM 836 CA GLY A 84 12.632 -13.300 2.525 1.00 0.00 C ATOM 837 C GLY A 84 11.180 -13.618 2.227 1.00 0.00 C ATOM 838 O GLY A 84 10.779 -13.695 1.065 1.00 0.00 O ATOM 0 H GLY A 84 13.083 -13.120 4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.777 -12.220 2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.262 -13.724 1.743 1.00 0.00 H new ATOM 842 N LEU A 85 10.390 -13.804 3.278 1.00 0.00 N ATOM 843 CA LEU A 85 8.973 -14.117 3.125 1.00 0.00 C ATOM 844 C LEU A 85 8.119 -12.861 3.266 1.00 0.00 C ATOM 845 O LEU A 85 8.622 -11.793 3.616 1.00 0.00 O ATOM 846 CB LEU A 85 8.545 -15.158 4.161 1.00 0.00 C ATOM 847 CG LEU A 85 9.000 -16.594 3.897 1.00 0.00 C ATOM 848 CD1 LEU A 85 9.120 -17.365 5.202 1.00 0.00 C ATOM 849 CD2 LEU A 85 8.035 -17.293 2.950 1.00 0.00 C ATOM 0 H LEU A 85 10.706 -13.744 4.246 1.00 0.00 H new ATOM 0 HA LEU A 85 8.823 -14.525 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.926 -14.850 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.457 -15.149 4.228 1.00 0.00 H new ATOM 0 HG LEU A 85 9.982 -16.562 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.445 -18.384 4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.850 -16.876 5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.151 -17.388 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.374 -18.314 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.040 -17.313 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.999 -16.753 2.004 1.00 0.00 H new ATOM 861 N HIS A 86 6.825 -12.998 2.994 1.00 0.00 N ATOM 862 CA HIS A 86 5.901 -11.874 3.094 1.00 0.00 C ATOM 863 C HIS A 86 5.719 -11.448 4.548 1.00 0.00 C ATOM 864 O HIS A 86 5.146 -12.182 5.354 1.00 0.00 O ATOM 865 CB HIS A 86 4.548 -12.244 2.486 1.00 0.00 C ATOM 866 CG HIS A 86 3.728 -11.057 2.081 1.00 0.00 C ATOM 867 ND1 HIS A 86 3.380 -10.050 2.956 1.00 0.00 N ATOM 868 CD2 HIS A 86 3.190 -10.719 0.886 1.00 0.00 C ATOM 869 CE1 HIS A 86 2.660 -9.145 2.317 1.00 0.00 C ATOM 870 NE2 HIS A 86 2.531 -9.527 1.059 1.00 0.00 N ATOM 0 H HIS A 86 6.393 -13.875 2.703 1.00 0.00 H new ATOM 0 HA HIS A 86 6.324 -11.037 2.539 1.00 0.00 H new ATOM 0 HB2 HIS A 86 4.712 -12.877 1.614 1.00 0.00 H new ATOM 0 HB3 HIS A 86 3.984 -12.836 3.207 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.265 -11.282 -0.033 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.247 -8.246 2.750 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.024 -9.019 0.334 1.00 0.00 H new ATOM 879 N LYS A 87 6.210 -10.258 4.877 1.00 0.00 N ATOM 880 CA LYS A 87 6.101 -9.733 6.233 1.00 0.00 C ATOM 881 C LYS A 87 4.641 -9.519 6.618 1.00 0.00 C ATOM 882 O LYS A 87 4.179 -10.024 7.641 1.00 0.00 O ATOM 883 CB LYS A 87 6.870 -8.415 6.354 1.00 0.00 C ATOM 884 CG LYS A 87 8.344 -8.597 6.669 1.00 0.00 C ATOM 885 CD LYS A 87 9.171 -7.427 6.164 1.00 0.00 C ATOM 886 CE LYS A 87 9.037 -6.216 7.075 1.00 0.00 C ATOM 887 NZ LYS A 87 7.764 -5.481 6.835 1.00 0.00 N ATOM 0 H LYS A 87 6.688 -9.638 4.223 1.00 0.00 H new ATOM 0 HA LYS A 87 6.535 -10.464 6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.772 -7.860 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.413 -7.808 7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.477 -8.699 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.703 -9.520 6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.219 -7.721 6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.852 -7.163 5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.080 -6.538 8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.880 -5.545 6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.971 -4.477 6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.281 -5.884 6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.150 -5.568 7.670 1.00 0.00 H new ATOM 901 N GLY A 88 3.919 -8.769 5.792 1.00 0.00 N ATOM 902 CA GLY A 88 2.518 -8.504 6.064 1.00 0.00 C ATOM 903 C GLY A 88 2.176 -7.031 5.960 1.00 0.00 C ATOM 904 O GLY A 88 1.452 -6.494 6.799 1.00 0.00 O ATOM 0 H GLY A 88 4.279 -8.340 4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.902 -9.067 5.363 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.271 -8.861 7.064 1.00 0.00 H new ATOM 908 N CYS A 89 2.698 -6.375 4.929 1.00 0.00 N ATOM 909 CA CYS A 89 2.446 -4.954 4.720 1.00 0.00 C ATOM 910 C CYS A 89 3.043 -4.485 3.397 1.00 0.00 C ATOM 911 O CYS A 89 3.885 -5.163 2.809 1.00 0.00 O ATOM 912 CB CYS A 89 3.028 -4.136 5.874 1.00 0.00 C ATOM 913 SG CYS A 89 4.765 -4.491 6.227 1.00 0.00 S ATOM 0 H CYS A 89 3.298 -6.805 4.225 1.00 0.00 H new ATOM 0 HA CYS A 89 1.367 -4.803 4.685 1.00 0.00 H new ATOM 0 HB2 CYS A 89 2.925 -3.076 5.642 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.440 -4.325 6.772 1.00 0.00 H new ATOM 0 HG CYS A 89 5.167 -3.749 7.216 1.00 0.00 H new ATOM 919 N ALA A 90 2.598 -3.322 2.933 1.00 0.00 N ATOM 920 CA ALA A 90 3.089 -2.762 1.679 1.00 0.00 C ATOM 921 C ALA A 90 2.799 -1.267 1.595 1.00 0.00 C ATOM 922 O ALA A 90 1.770 -0.796 2.081 1.00 0.00 O ATOM 923 CB ALA A 90 2.466 -3.490 0.497 1.00 0.00 C ATOM 0 H ALA A 90 1.899 -2.749 3.406 1.00 0.00 H new ATOM 0 HA ALA A 90 4.170 -2.898 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.841 -3.062 -0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.728 -4.547 0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.382 -3.383 0.534 1.00 0.00 H new ATOM 929 N PHE A 91 3.711 -0.526 0.976 1.00 0.00 N ATOM 930 CA PHE A 91 3.554 0.917 0.830 1.00 0.00 C ATOM 931 C PHE A 91 2.959 1.263 -0.532 1.00 0.00 C ATOM 932 O PHE A 91 3.619 1.132 -1.563 1.00 0.00 O ATOM 933 CB PHE A 91 4.903 1.618 1.003 1.00 0.00 C ATOM 934 CG PHE A 91 5.331 1.748 2.437 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.504 2.354 3.369 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.561 1.263 2.852 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.897 2.475 4.688 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.959 1.381 4.171 1.00 0.00 C ATOM 939 CZ PHE A 91 6.125 1.987 5.090 1.00 0.00 C ATOM 0 H PHE A 91 4.567 -0.900 0.567 1.00 0.00 H new ATOM 0 HA PHE A 91 2.870 1.264 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.664 1.064 0.454 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.847 2.611 0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.542 2.736 3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.216 0.787 2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.244 2.951 5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.920 1.000 4.482 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.432 2.079 6.121 1.00 0.00 H new ATOM 949 N LEU A 92 1.706 1.706 -0.527 1.00 0.00 N ATOM 950 CA LEU A 92 1.020 2.072 -1.761 1.00 0.00 C ATOM 951 C LEU A 92 1.038 3.583 -1.967 1.00 0.00 C ATOM 952 O LEU A 92 0.843 4.352 -1.025 1.00 0.00 O ATOM 953 CB LEU A 92 -0.424 1.567 -1.734 1.00 0.00 C ATOM 954 CG LEU A 92 -1.363 2.162 -2.784 1.00 0.00 C ATOM 955 CD1 LEU A 92 -1.125 1.517 -4.140 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.814 1.993 -2.358 1.00 0.00 C ATOM 0 H LEU A 92 1.145 1.820 0.317 1.00 0.00 H new ATOM 0 HA LEU A 92 1.547 1.604 -2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.411 0.484 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.840 1.769 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.152 3.228 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.802 1.953 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.094 1.690 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.308 0.445 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.468 2.422 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.038 0.933 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.976 2.503 -1.409 1.00 0.00 H new ATOM 968 N THR A 93 1.272 4.004 -3.206 1.00 0.00 N ATOM 969 CA THR A 93 1.315 5.423 -3.537 1.00 0.00 C ATOM 970 C THR A 93 0.316 5.761 -4.637 1.00 0.00 C ATOM 971 O THR A 93 0.355 5.184 -5.724 1.00 0.00 O ATOM 972 CB THR A 93 2.723 5.852 -3.988 1.00 0.00 C ATOM 973 OG1 THR A 93 3.688 5.490 -2.994 1.00 0.00 O ATOM 974 CG2 THR A 93 2.779 7.353 -4.233 1.00 0.00 C ATOM 0 H THR A 93 1.435 3.382 -3.998 1.00 0.00 H new ATOM 0 HA THR A 93 1.051 5.967 -2.630 1.00 0.00 H new ATOM 0 HB THR A 93 2.953 5.338 -4.921 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.581 5.765 -3.290 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.783 7.633 -4.551 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.064 7.622 -5.011 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.529 7.881 -3.313 1.00 0.00 H new ATOM 982 N TYR A 94 -0.578 6.701 -4.349 1.00 0.00 N ATOM 983 CA TYR A 94 -1.590 7.115 -5.315 1.00 0.00 C ATOM 984 C TYR A 94 -1.172 8.400 -6.024 1.00 0.00 C ATOM 985 O TYR A 94 -0.655 9.327 -5.399 1.00 0.00 O ATOM 986 CB TYR A 94 -2.936 7.318 -4.619 1.00 0.00 C ATOM 987 CG TYR A 94 -3.759 6.054 -4.511 1.00 0.00 C ATOM 988 CD1 TYR A 94 -4.286 5.446 -5.643 1.00 0.00 C ATOM 989 CD2 TYR A 94 -4.010 5.468 -3.276 1.00 0.00 C ATOM 990 CE1 TYR A 94 -5.039 4.292 -5.550 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.761 4.313 -3.173 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.273 3.729 -4.313 1.00 0.00 C ATOM 993 OH TYR A 94 -6.022 2.579 -4.214 1.00 0.00 O ATOM 0 H TYR A 94 -0.623 7.190 -3.455 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.689 6.326 -6.060 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.762 7.715 -3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.508 8.068 -5.165 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.104 5.883 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.611 5.923 -2.382 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.442 3.833 -6.441 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.946 3.870 -2.206 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.147 2.192 -5.106 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.400 8.447 -7.331 1.00 0.00 N ATOM 1004 CA CYS A 95 -1.048 9.617 -8.127 1.00 0.00 C ATOM 1005 C CYS A 95 -1.791 10.854 -7.633 1.00 0.00 C ATOM 1006 O CYS A 95 -1.217 11.939 -7.543 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.367 9.371 -9.603 1.00 0.00 C ATOM 1008 SG CYS A 95 -0.975 10.766 -10.685 1.00 0.00 S ATOM 0 H CYS A 95 -1.827 7.688 -7.862 1.00 0.00 H new ATOM 0 HA CYS A 95 0.023 9.791 -8.019 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.814 8.495 -9.942 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -2.427 9.136 -9.700 1.00 0.00 H new ATOM 0 HG CYS A 95 -1.278 10.462 -11.912 1.00 0.00 H new ATOM 1014 N ALA A 96 -3.070 10.683 -7.317 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.891 11.785 -6.831 1.00 0.00 C ATOM 1016 C ALA A 96 -4.193 11.632 -5.345 1.00 0.00 C ATOM 1017 O ALA A 96 -4.435 10.525 -4.862 1.00 0.00 O ATOM 1018 CB ALA A 96 -5.184 11.870 -7.629 1.00 0.00 C ATOM 0 H ALA A 96 -3.560 9.792 -7.389 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.331 12.710 -6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.788 12.697 -7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.952 12.036 -8.681 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.739 10.938 -7.522 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.177 12.748 -4.624 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.447 12.737 -3.191 1.00 0.00 C ATOM 1026 C ARG A 97 -5.853 12.215 -2.907 1.00 0.00 C ATOM 1027 O ARG A 97 -6.109 11.634 -1.853 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.286 14.142 -2.609 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.304 15.140 -3.136 1.00 0.00 C ATOM 1030 CD ARG A 97 -5.557 16.258 -2.137 1.00 0.00 C ATOM 1031 NE ARG A 97 -6.892 16.832 -2.285 1.00 0.00 N ATOM 1032 CZ ARG A 97 -7.486 17.562 -1.347 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -6.867 17.806 -0.201 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -8.702 18.050 -1.556 1.00 0.00 N ATOM 0 H ARG A 97 -3.980 13.672 -5.009 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.727 12.070 -2.716 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.371 14.088 -1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.283 14.506 -2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.948 15.563 -4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.240 14.626 -3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.438 15.873 -1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.809 17.040 -2.271 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.396 16.663 -3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.932 17.433 -0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.326 18.367 0.517 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.181 17.865 -2.437 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.157 18.610 -0.836 1.00 0.00 H new ATOM 1048 N ASP A 98 -6.759 12.428 -3.855 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.139 11.979 -3.707 1.00 0.00 C ATOM 1050 C ASP A 98 -8.225 10.457 -3.768 1.00 0.00 C ATOM 1051 O ASP A 98 -8.726 9.816 -2.845 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.018 12.596 -4.797 1.00 0.00 C ATOM 1053 CG ASP A 98 -8.414 12.448 -6.180 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -7.498 13.229 -6.513 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -8.859 11.553 -6.929 1.00 0.00 O ATOM 0 H ASP A 98 -6.563 12.908 -4.733 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.499 12.306 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.000 12.122 -4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.171 13.654 -4.581 1.00 0.00 H new ATOM 1060 N SER A 99 -7.733 9.885 -4.863 1.00 0.00 N ATOM 1061 CA SER A 99 -7.758 8.439 -5.047 1.00 0.00 C ATOM 1062 C SER A 99 -7.341 7.721 -3.767 1.00 0.00 C ATOM 1063 O SER A 99 -7.859 6.652 -3.445 1.00 0.00 O ATOM 1064 CB SER A 99 -6.834 8.033 -6.197 1.00 0.00 C ATOM 1065 OG SER A 99 -7.349 8.470 -7.443 1.00 0.00 O ATOM 0 H SER A 99 -7.312 10.401 -5.636 1.00 0.00 H new ATOM 0 HA SER A 99 -8.779 8.147 -5.291 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.843 8.459 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.717 6.949 -6.208 1.00 0.00 H new ATOM 0 HG SER A 99 -6.740 8.200 -8.162 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.402 8.317 -3.041 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.916 7.737 -1.795 1.00 0.00 C ATOM 1073 C ALA A 100 -6.986 7.792 -0.710 1.00 0.00 C ATOM 1074 O ALA A 100 -7.279 6.787 -0.061 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.657 8.456 -1.334 1.00 0.00 C ATOM 0 H ALA A 100 -5.962 9.202 -3.294 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.676 6.690 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.305 8.013 -0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.884 8.360 -2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.879 9.511 -1.172 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.566 8.972 -0.516 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.603 9.158 0.492 1.00 0.00 C ATOM 1083 C LEU A 101 -9.708 8.118 0.335 1.00 0.00 C ATOM 1084 O LEU A 101 -10.135 7.497 1.309 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.194 10.565 0.390 1.00 0.00 C ATOM 1086 CG LEU A 101 -8.204 11.721 0.535 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.782 12.997 -0.056 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.836 11.928 1.997 1.00 0.00 C ATOM 0 H LEU A 101 -7.335 9.814 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.147 9.032 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.693 10.659 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.961 10.672 1.157 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.298 11.468 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.063 13.808 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.994 12.844 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.704 13.254 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.131 12.755 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.735 12.158 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.379 11.020 2.389 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.166 7.930 -0.898 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.219 6.963 -1.185 1.00 0.00 C ATOM 1102 C LYS A 102 -10.772 5.550 -0.825 1.00 0.00 C ATOM 1103 O LYS A 102 -11.304 4.937 0.100 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.607 7.025 -2.664 1.00 0.00 C ATOM 1105 CG LYS A 102 -12.057 8.403 -3.118 1.00 0.00 C ATOM 1106 CD LYS A 102 -12.400 8.418 -4.598 1.00 0.00 C ATOM 1107 CE LYS A 102 -12.421 9.835 -5.150 1.00 0.00 C ATOM 1108 NZ LYS A 102 -12.816 9.865 -6.585 1.00 0.00 N ATOM 0 H LYS A 102 -9.824 8.435 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.087 7.217 -0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.755 6.713 -3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.409 6.310 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.927 8.712 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.268 9.128 -2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.671 7.823 -5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.373 7.952 -4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.116 10.441 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.434 10.284 -5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.818 10.848 -6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.138 9.308 -7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.768 9.460 -6.692 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.790 5.039 -1.560 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.269 3.700 -1.316 1.00 0.00 C ATOM 1124 C ALA A 103 -9.018 3.471 0.171 1.00 0.00 C ATOM 1125 O ALA A 103 -9.258 2.381 0.689 1.00 0.00 O ATOM 1126 CB ALA A 103 -7.989 3.478 -2.108 1.00 0.00 C ATOM 0 H ALA A 103 -9.339 5.533 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.018 2.981 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.612 2.474 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.196 3.590 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.241 4.211 -1.804 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.535 4.506 0.851 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.251 4.416 2.278 1.00 0.00 C ATOM 1134 C GLN A 104 -9.532 4.191 3.075 1.00 0.00 C ATOM 1135 O GLN A 104 -9.684 3.174 3.752 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.552 5.688 2.762 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.187 5.658 4.237 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.173 7.039 4.863 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -7.845 7.287 5.864 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.403 7.948 4.274 1.00 0.00 N ATOM 0 H GLN A 104 -8.332 5.416 0.437 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.591 3.564 2.438 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.646 5.841 2.175 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.201 6.543 2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.899 5.028 4.771 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.205 5.200 4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.862 7.699 3.446 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.353 8.895 4.650 1.00 0.00 H new ATOM 1149 N SER A 105 -10.451 5.148 2.990 1.00 0.00 N ATOM 1150 CA SER A 105 -11.718 5.056 3.707 1.00 0.00 C ATOM 1151 C SER A 105 -12.650 4.052 3.036 1.00 0.00 C ATOM 1152 O SER A 105 -13.737 3.766 3.538 1.00 0.00 O ATOM 1153 CB SER A 105 -12.391 6.428 3.773 1.00 0.00 C ATOM 1154 OG SER A 105 -13.540 6.394 4.602 1.00 0.00 O ATOM 0 H SER A 105 -10.342 5.995 2.432 1.00 0.00 H new ATOM 0 HA SER A 105 -11.510 4.712 4.720 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.685 7.165 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.672 6.747 2.769 1.00 0.00 H new ATOM 0 HG SER A 105 -13.904 5.484 4.619 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.216 3.519 1.899 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.009 2.545 1.159 1.00 0.00 C ATOM 1162 C ALA A 106 -12.531 1.124 1.436 1.00 0.00 C ATOM 1163 O ALA A 106 -13.300 0.167 1.329 1.00 0.00 O ATOM 1164 CB ALA A 106 -12.953 2.842 -0.332 1.00 0.00 C ATOM 0 H ALA A 106 -11.319 3.745 1.470 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.043 2.624 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.550 2.107 -0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.350 3.840 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.919 2.793 -0.674 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.258 0.992 1.793 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.677 -0.314 2.085 1.00 0.00 C ATOM 1172 C LEU A 107 -10.492 -0.504 3.587 1.00 0.00 C ATOM 1173 O LEU A 107 -10.768 -1.576 4.126 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.333 -0.467 1.371 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.396 -0.661 -0.144 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.008 -0.545 -0.756 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.020 -2.007 -0.484 1.00 0.00 C ATOM 0 H LEU A 107 -10.609 1.773 1.887 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.364 -1.079 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.731 0.418 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.809 -1.319 1.805 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.023 0.125 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.073 -0.686 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.598 0.442 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.357 -1.308 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.057 -2.128 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.420 -2.806 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.031 -2.052 -0.079 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.027 0.545 4.258 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.808 0.494 5.700 1.00 0.00 C ATOM 1191 C HIS A 108 -11.016 -0.107 6.412 1.00 0.00 C ATOM 1192 O HIS A 108 -12.066 0.527 6.514 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.526 1.895 6.243 1.00 0.00 C ATOM 1194 CG HIS A 108 -8.979 1.897 7.638 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.680 1.545 7.937 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.563 2.214 8.817 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.489 1.643 9.241 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.616 2.047 9.798 1.00 0.00 N ATOM 0 H HIS A 108 -9.795 1.440 3.827 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.943 -0.142 5.890 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.818 2.396 5.583 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.448 2.476 6.222 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.583 2.538 8.960 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.568 1.429 9.762 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.760 2.209 10.795 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.860 -1.333 6.901 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.939 -2.019 7.602 1.00 0.00 C ATOM 1208 C GLU A 109 -13.185 -2.110 6.725 1.00 0.00 C ATOM 1209 O GLU A 109 -14.308 -1.981 7.211 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.273 -1.292 8.906 1.00 0.00 C ATOM 1211 CG GLU A 109 -11.071 -1.090 9.815 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.462 -0.931 11.271 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -12.021 0.128 11.624 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -11.208 -1.867 12.058 1.00 0.00 O ATOM 0 H GLU A 109 -9.997 -1.872 6.825 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.603 -3.030 7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.707 -0.320 8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.034 -1.858 9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.397 -1.941 9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.520 -0.207 9.492 1.00 0.00 H new ATOM 1221 N GLN A 110 -12.976 -2.333 5.431 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.081 -2.441 4.487 1.00 0.00 C ATOM 1223 C GLN A 110 -13.950 -3.700 3.636 1.00 0.00 C ATOM 1224 O GLN A 110 -14.926 -4.417 3.415 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.132 -1.205 3.586 1.00 0.00 C ATOM 1226 CG GLN A 110 -14.999 -0.085 4.139 1.00 0.00 C ATOM 1227 CD GLN A 110 -14.241 0.828 5.082 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -14.528 0.879 6.279 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -13.266 1.554 4.548 1.00 0.00 N ATOM 0 H GLN A 110 -12.052 -2.442 5.013 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.008 -2.505 5.057 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.119 -0.830 3.439 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.510 -1.495 2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.397 0.503 3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.852 -0.516 4.664 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.062 1.480 3.551 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.721 2.186 5.135 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.738 -3.962 3.160 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.477 -5.135 2.334 1.00 0.00 C ATOM 1240 C LYS A 111 -11.850 -6.254 3.160 1.00 0.00 C ATOM 1241 O LYS A 111 -11.276 -6.010 4.221 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.556 -4.769 1.169 1.00 0.00 C ATOM 1243 CG LYS A 111 -11.757 -5.636 -0.062 1.00 0.00 C ATOM 1244 CD LYS A 111 -12.994 -5.222 -0.840 1.00 0.00 C ATOM 1245 CE LYS A 111 -12.868 -5.569 -2.315 1.00 0.00 C ATOM 1246 NZ LYS A 111 -14.186 -5.541 -3.007 1.00 0.00 N ATOM 0 H LYS A 111 -11.920 -3.377 3.332 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.429 -5.489 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.722 -3.726 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.520 -4.852 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.880 -5.564 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.847 -6.680 0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.870 -5.718 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.152 -4.149 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.190 -4.865 -2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.425 -6.559 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.057 -5.783 -4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -14.825 -6.231 -2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.598 -4.589 -2.931 1.00 0.00 H new ATOM 1260 N THR A 112 -11.963 -7.483 2.665 1.00 0.00 N ATOM 1261 CA THR A 112 -11.407 -8.639 3.357 1.00 0.00 C ATOM 1262 C THR A 112 -10.665 -9.554 2.390 1.00 0.00 C ATOM 1263 O THR A 112 -11.280 -10.337 1.664 1.00 0.00 O ATOM 1264 CB THR A 112 -12.505 -9.448 4.071 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.132 -8.643 5.076 1.00 0.00 O ATOM 1266 CG2 THR A 112 -11.926 -10.703 4.708 1.00 0.00 C ATOM 0 H THR A 112 -12.434 -7.703 1.788 1.00 0.00 H new ATOM 0 HA THR A 112 -10.707 -8.256 4.100 1.00 0.00 H new ATOM 0 HB THR A 112 -13.246 -9.745 3.329 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.830 -9.164 5.524 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.721 -11.258 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.476 -11.328 3.937 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.166 -10.423 5.438 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.340 -9.452 2.384 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.514 -10.272 1.505 1.00 0.00 C ATOM 1276 C LEU A 113 -8.877 -11.748 1.637 1.00 0.00 C ATOM 1277 O LEU A 113 -9.383 -12.198 2.664 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.033 -10.068 1.829 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.417 -8.751 1.357 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.104 -8.486 2.078 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.205 -8.771 -0.150 1.00 0.00 C ATOM 0 H LEU A 113 -8.815 -8.810 2.978 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.701 -9.962 0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.905 -10.139 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.469 -10.889 1.387 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.108 -7.943 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.681 -7.544 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.284 -8.427 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.405 -9.297 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.766 -7.826 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.534 -9.589 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.163 -8.913 -0.650 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.610 -12.520 0.573 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.898 -13.957 0.546 1.00 0.00 C ATOM 1295 C PRO A 114 -7.983 -14.749 1.473 1.00 0.00 C ATOM 1296 O PRO A 114 -6.797 -14.919 1.193 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.645 -14.342 -0.914 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.677 -13.324 -1.411 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.007 -12.049 -0.686 1.00 0.00 C ATOM 0 HA PRO A 114 -9.909 -14.177 0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.236 -15.349 -0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.568 -14.327 -1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.651 -13.632 -1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.767 -13.194 -2.489 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.116 -11.447 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.699 -11.430 -1.256 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.542 -15.232 2.578 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.761 -16.001 3.530 1.00 0.00 C ATOM 1309 C GLY A 115 -7.431 -15.212 4.781 1.00 0.00 C ATOM 1310 O GLY A 115 -6.531 -15.580 5.536 1.00 0.00 O ATOM 0 H GLY A 115 -9.522 -15.105 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -8.313 -16.900 3.806 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.836 -16.328 3.056 1.00 0.00 H new ATOM 1314 N MET A 116 -8.159 -14.123 5.001 1.00 0.00 N ATOM 1315 CA MET A 116 -7.938 -13.279 6.170 1.00 0.00 C ATOM 1316 C MET A 116 -9.232 -13.090 6.956 1.00 0.00 C ATOM 1317 O MET A 116 -10.218 -12.575 6.432 1.00 0.00 O ATOM 1318 CB MET A 116 -7.382 -11.919 5.746 1.00 0.00 C ATOM 1319 CG MET A 116 -5.902 -11.948 5.400 1.00 0.00 C ATOM 1320 SD MET A 116 -4.849 -12.029 6.861 1.00 0.00 S ATOM 1321 CE MET A 116 -4.207 -10.358 6.909 1.00 0.00 C ATOM 0 H MET A 116 -8.907 -13.804 4.386 1.00 0.00 H new ATOM 0 HA MET A 116 -7.212 -13.775 6.814 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.942 -11.560 4.882 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.544 -11.202 6.551 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.699 -12.808 4.762 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.650 -11.058 4.824 1.00 0.00 H new ATOM 0 HE1 MET A 116 -3.744 -10.174 7.878 1.00 0.00 H new ATOM 0 HE2 MET A 116 -3.464 -10.231 6.122 1.00 0.00 H new ATOM 0 HE3 MET A 116 -5.022 -9.651 6.756 1.00 0.00 H new ATOM 1331 N ASN A 117 -9.219 -13.510 8.217 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.392 -13.388 9.075 1.00 0.00 C ATOM 1333 C ASN A 117 -10.750 -11.922 9.301 1.00 0.00 C ATOM 1334 O ASN A 117 -11.926 -11.565 9.386 1.00 0.00 O ATOM 1335 CB ASN A 117 -10.141 -14.075 10.419 1.00 0.00 C ATOM 1336 CG ASN A 117 -8.680 -14.040 10.822 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -8.244 -13.142 11.542 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -7.914 -15.021 10.358 1.00 0.00 N ATOM 0 H ASN A 117 -8.410 -13.938 8.667 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.229 -13.876 8.575 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -10.739 -13.589 11.190 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -10.475 -15.111 10.362 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -6.923 -15.050 10.596 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -8.317 -15.745 9.764 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.729 -11.077 9.397 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.936 -9.650 9.613 1.00 0.00 C ATOM 1347 C ARG A 118 -9.833 -8.880 8.299 1.00 0.00 C ATOM 1348 O ARG A 118 -9.200 -9.323 7.340 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.912 -9.110 10.613 1.00 0.00 C ATOM 1350 CG ARG A 118 -9.330 -9.282 12.064 1.00 0.00 C ATOM 1351 CD ARG A 118 -8.344 -8.616 13.011 1.00 0.00 C ATOM 1352 NE ARG A 118 -6.982 -9.104 12.814 1.00 0.00 N ATOM 1353 CZ ARG A 118 -6.522 -10.233 13.343 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -7.312 -10.986 14.096 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -5.270 -10.611 13.119 1.00 0.00 N ATOM 0 H ARG A 118 -8.750 -11.356 9.329 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.938 -9.512 10.018 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.960 -9.617 10.455 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.746 -8.051 10.414 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -10.322 -8.855 12.211 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -9.402 -10.344 12.300 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.368 -7.537 12.859 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.650 -8.800 14.041 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.349 -8.548 12.239 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.275 -10.699 14.270 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -6.957 -11.852 14.501 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -4.659 -10.035 12.540 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.918 -11.478 13.526 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.471 -7.701 8.252 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.466 -6.846 7.062 1.00 0.00 C ATOM 1371 C PRO A 119 -9.098 -6.227 6.798 1.00 0.00 C ATOM 1372 O PRO A 119 -8.145 -6.465 7.541 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.488 -5.758 7.402 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.503 -5.706 8.891 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.245 -7.112 9.357 1.00 0.00 C ATOM 0 HA PRO A 119 -10.704 -7.406 6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.201 -4.797 6.975 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.473 -6.002 7.004 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.739 -5.024 9.265 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.462 -5.343 9.259 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.686 -7.129 10.293 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.174 -7.655 9.531 1.00 0.00 H new ATOM 1383 N ILE A 120 -9.007 -5.433 5.736 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.755 -4.780 5.376 1.00 0.00 C ATOM 1385 C ILE A 120 -7.622 -3.427 6.067 1.00 0.00 C ATOM 1386 O ILE A 120 -8.571 -2.644 6.107 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.643 -4.579 3.853 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.349 -3.838 3.509 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.851 -3.817 3.329 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.071 -3.765 2.024 1.00 0.00 C ATOM 0 H ILE A 120 -9.786 -5.227 5.110 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.950 -5.436 5.708 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.619 -5.557 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.402 -2.826 3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.513 -4.334 4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.757 -3.683 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.759 -4.380 3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -8.904 -2.842 3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.139 -3.226 1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -5.986 -4.774 1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -6.888 -3.242 1.526 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.439 -3.159 6.609 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.182 -1.900 7.298 1.00 0.00 C ATOM 1404 C GLN A 121 -5.237 -1.019 6.487 1.00 0.00 C ATOM 1405 O GLN A 121 -4.102 -1.403 6.205 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.589 -2.164 8.683 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.599 -2.699 9.685 1.00 0.00 C ATOM 1408 CD GLN A 121 -6.047 -2.758 11.096 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -6.106 -3.796 11.755 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -5.505 -1.641 11.567 1.00 0.00 N ATOM 0 H GLN A 121 -5.643 -3.797 6.584 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.131 -1.376 7.411 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.770 -2.877 8.589 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.162 -1.238 9.069 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.487 -2.067 9.673 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.914 -3.697 9.380 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -5.477 -0.803 10.986 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -5.116 -1.621 12.510 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.714 0.165 6.114 1.00 0.00 N ATOM 1420 CA VAL A 122 -4.912 1.101 5.336 1.00 0.00 C ATOM 1421 C VAL A 122 -4.944 2.496 5.951 1.00 0.00 C ATOM 1422 O VAL A 122 -6.013 3.055 6.194 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.402 1.184 3.878 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.496 2.091 3.060 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.476 -0.205 3.262 1.00 0.00 C ATOM 0 H VAL A 122 -6.652 0.498 6.338 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.889 0.725 5.347 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.404 1.613 3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.858 2.137 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.499 3.092 3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.481 1.695 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.824 -0.128 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.487 -0.663 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.170 -0.820 3.834 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.764 3.053 6.201 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.655 4.384 6.787 1.00 0.00 C ATOM 1437 C LYS A 123 -2.622 5.223 6.042 1.00 0.00 C ATOM 1438 O LYS A 123 -1.663 4.706 5.469 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.275 4.283 8.266 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.168 3.280 8.543 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.721 1.877 8.730 1.00 0.00 C ATOM 1442 CE LYS A 123 -3.051 1.599 10.188 1.00 0.00 C ATOM 1443 NZ LYS A 123 -1.870 1.803 11.073 1.00 0.00 N ATOM 0 H LYS A 123 -2.869 2.603 6.007 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.625 4.873 6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -2.961 5.265 8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.158 4.005 8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.457 3.285 7.717 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.621 3.579 9.437 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -3.618 1.754 8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -1.993 1.147 8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -3.862 2.253 10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -3.409 0.575 10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.945 1.179 11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -1.000 1.579 10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -1.839 2.794 11.387 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.819 6.550 6.050 1.00 0.00 N ATOM 1458 CA PRO A 124 -1.914 7.489 5.381 1.00 0.00 C ATOM 1459 C PRO A 124 -0.561 7.587 6.079 1.00 0.00 C ATOM 1460 O PRO A 124 -0.363 8.431 6.952 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.659 8.823 5.468 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.545 8.685 6.657 1.00 0.00 C ATOM 1463 CD PRO A 124 -3.941 7.236 6.713 1.00 0.00 C ATOM 0 HA PRO A 124 -1.686 7.179 4.361 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.966 9.656 5.585 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.237 9.013 4.564 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -3.025 8.983 7.568 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.422 9.326 6.567 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.071 6.894 7.740 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.884 7.057 6.196 1.00 0.00 H new ATOM 1471 N ALA A 125 0.366 6.719 5.687 1.00 0.00 N ATOM 1472 CA ALA A 125 1.700 6.711 6.274 1.00 0.00 C ATOM 1473 C ALA A 125 2.239 8.128 6.433 1.00 0.00 C ATOM 1474 O ALA A 125 1.988 8.995 5.596 1.00 0.00 O ATOM 1475 CB ALA A 125 2.646 5.877 5.422 1.00 0.00 C ATOM 0 H ALA A 125 0.218 6.013 4.966 1.00 0.00 H new ATOM 0 HA ALA A 125 1.631 6.264 7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.639 5.880 5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.277 4.853 5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.701 6.300 4.419 1.00 0.00 H new