USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=15 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= -2.03 X(o=-2,f=-1.7) USER MOD Set 1.2: A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.158 K(o=-0.16,f=-1.1) USER MOD Single : A 47 LYS NZ :NH3+ -143:sc= -0.0817 (180deg=-1.42!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00635) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -5.81! C(o=-5.8!,f=-9!) USER MOD Single : A 87 LYS NZ :NH3+ 164:sc= -0.0158 (180deg=-0.204) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.0183 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -18:sc= 1.08 USER MOD Single : A 95 CYS SG : rot -78:sc= 0.359 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= -1.75 X(o=-1.8,f=-1.3) USER MOD Single : A 105 SER OG : rot -42:sc= 0.0258 USER MOD Single : A 108 HIS : no HD1:sc= -0.29 K(o=-0.29,f=-6.1!) USER MOD Single : A 110 GLN : amide:sc= -1.05 K(o=-1.1,f=-1.7) USER MOD Single : A 111 LYS NZ :NH3+ -116:sc= -2.75! (180deg=-6.49!) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 117 ASN : amide:sc= -1.86! C(o=-1.9!,f=-4.6!) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ -155:sc= -0.066 (180deg=-0.426) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 42 1.460 13.831 -7.244 1.00 0.00 N ATOM 136 CA ASP A 42 1.085 15.148 -6.741 1.00 0.00 C ATOM 137 C ASP A 42 2.048 15.607 -5.650 1.00 0.00 C ATOM 138 O ASP A 42 2.490 14.810 -4.822 1.00 0.00 O ATOM 139 CB ASP A 42 -0.345 15.122 -6.198 1.00 0.00 C ATOM 140 CG ASP A 42 -1.383 15.160 -7.302 1.00 0.00 C ATOM 141 OD1 ASP A 42 -1.152 14.531 -8.357 1.00 0.00 O ATOM 142 OD2 ASP A 42 -2.427 15.818 -7.112 1.00 0.00 O ATOM 0 HA ASP A 42 1.138 15.855 -7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.487 14.222 -5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.494 15.973 -5.533 1.00 0.00 H new ATOM 147 N HIS A 43 2.369 16.897 -5.657 1.00 0.00 N ATOM 148 CA HIS A 43 3.280 17.463 -4.668 1.00 0.00 C ATOM 149 C HIS A 43 2.785 17.186 -3.252 1.00 0.00 C ATOM 150 O HIS A 43 3.581 17.032 -2.324 1.00 0.00 O ATOM 151 CB HIS A 43 3.429 18.969 -4.883 1.00 0.00 C ATOM 152 CG HIS A 43 2.121 19.690 -4.993 1.00 0.00 C ATOM 153 ND1 HIS A 43 1.371 20.059 -3.896 1.00 0.00 N ATOM 154 CD2 HIS A 43 1.431 20.112 -6.078 1.00 0.00 C ATOM 155 CE1 HIS A 43 0.275 20.676 -4.302 1.00 0.00 C ATOM 156 NE2 HIS A 43 0.287 20.721 -5.622 1.00 0.00 N ATOM 0 H HIS A 43 2.012 17.570 -6.336 1.00 0.00 H new ATOM 0 HA HIS A 43 4.253 16.988 -4.793 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.999 19.391 -4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.008 19.143 -5.790 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.725 19.992 -7.110 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.499 21.075 -3.663 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.436 21.140 -6.208 1.00 0.00 H new ATOM 165 N ASP A 44 1.468 17.123 -3.092 1.00 0.00 N ATOM 166 CA ASP A 44 0.867 16.865 -1.789 1.00 0.00 C ATOM 167 C ASP A 44 0.197 15.494 -1.762 1.00 0.00 C ATOM 168 O ASP A 44 -0.876 15.328 -1.184 1.00 0.00 O ATOM 169 CB ASP A 44 -0.155 17.951 -1.450 1.00 0.00 C ATOM 170 CG ASP A 44 -0.532 17.953 0.018 1.00 0.00 C ATOM 171 OD1 ASP A 44 0.319 17.577 0.850 1.00 0.00 O ATOM 172 OD2 ASP A 44 -1.680 18.330 0.335 1.00 0.00 O ATOM 0 H ASP A 44 0.796 17.247 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 44 1.661 16.878 -1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.252 18.926 -1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.051 17.803 -2.052 1.00 0.00 H new ATOM 177 N ALA A 45 0.839 14.515 -2.392 1.00 0.00 N ATOM 178 CA ALA A 45 0.306 13.159 -2.440 1.00 0.00 C ATOM 179 C ALA A 45 0.269 12.536 -1.049 1.00 0.00 C ATOM 180 O ALA A 45 0.660 13.165 -0.065 1.00 0.00 O ATOM 181 CB ALA A 45 1.134 12.300 -3.384 1.00 0.00 C ATOM 0 H ALA A 45 1.729 14.636 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.716 13.209 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.725 11.290 -3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.106 12.729 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.165 12.265 -3.033 1.00 0.00 H new ATOM 187 N ILE A 46 -0.205 11.296 -0.974 1.00 0.00 N ATOM 188 CA ILE A 46 -0.293 10.588 0.297 1.00 0.00 C ATOM 189 C ILE A 46 0.108 9.125 0.140 1.00 0.00 C ATOM 190 O ILE A 46 -0.362 8.435 -0.765 1.00 0.00 O ATOM 191 CB ILE A 46 -1.715 10.659 0.884 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.169 12.116 1.003 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.763 9.972 2.240 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.586 12.268 1.510 1.00 0.00 C ATOM 0 H ILE A 46 -0.534 10.762 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 46 0.398 11.080 0.981 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.396 10.139 0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.493 12.645 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.088 12.594 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.774 10.031 2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.477 8.926 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.072 10.466 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.840 13.326 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.272 11.768 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.668 11.819 2.500 1.00 0.00 H new ATOM 206 N LYS A 47 0.977 8.657 1.029 1.00 0.00 N ATOM 207 CA LYS A 47 1.440 7.275 0.993 1.00 0.00 C ATOM 208 C LYS A 47 0.597 6.395 1.911 1.00 0.00 C ATOM 209 O LYS A 47 0.677 6.503 3.135 1.00 0.00 O ATOM 210 CB LYS A 47 2.912 7.197 1.403 1.00 0.00 C ATOM 211 CG LYS A 47 3.525 5.820 1.213 1.00 0.00 C ATOM 212 CD LYS A 47 5.036 5.857 1.362 1.00 0.00 C ATOM 213 CE LYS A 47 5.454 5.756 2.821 1.00 0.00 C ATOM 214 NZ LYS A 47 5.372 7.072 3.514 1.00 0.00 N ATOM 0 H LYS A 47 1.375 9.215 1.784 1.00 0.00 H new ATOM 0 HA LYS A 47 1.335 6.909 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.481 7.922 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.004 7.485 2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.103 5.129 1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.265 5.438 0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.479 5.036 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.422 6.782 0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.816 5.036 3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.474 5.377 2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.160 7.160 4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.428 7.838 2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.470 7.138 4.028 1.00 0.00 H new ATOM 228 N LEU A 48 -0.207 5.523 1.313 1.00 0.00 N ATOM 229 CA LEU A 48 -1.063 4.623 2.078 1.00 0.00 C ATOM 230 C LEU A 48 -0.287 3.394 2.538 1.00 0.00 C ATOM 231 O LEU A 48 0.532 2.849 1.797 1.00 0.00 O ATOM 232 CB LEU A 48 -2.267 4.194 1.236 1.00 0.00 C ATOM 233 CG LEU A 48 -3.345 5.256 1.017 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.385 4.763 0.023 1.00 0.00 C ATOM 235 CD2 LEU A 48 -4.002 5.630 2.338 1.00 0.00 C ATOM 0 H LEU A 48 -0.284 5.420 0.301 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.416 5.158 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.905 3.866 0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.729 3.329 1.712 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.872 6.147 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.144 5.532 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.903 4.546 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.854 3.857 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.766 6.387 2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.462 4.745 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.249 6.026 3.020 1.00 0.00 H new ATOM 247 N PHE A 49 -0.551 2.959 3.766 1.00 0.00 N ATOM 248 CA PHE A 49 0.122 1.793 4.326 1.00 0.00 C ATOM 249 C PHE A 49 -0.884 0.701 4.677 1.00 0.00 C ATOM 250 O PHE A 49 -1.847 0.940 5.406 1.00 0.00 O ATOM 251 CB PHE A 49 0.920 2.187 5.571 1.00 0.00 C ATOM 252 CG PHE A 49 1.144 1.048 6.524 1.00 0.00 C ATOM 253 CD1 PHE A 49 2.175 0.145 6.316 1.00 0.00 C ATOM 254 CD2 PHE A 49 0.325 0.880 7.629 1.00 0.00 C ATOM 255 CE1 PHE A 49 2.382 -0.904 7.191 1.00 0.00 C ATOM 256 CE2 PHE A 49 0.528 -0.167 8.508 1.00 0.00 C ATOM 257 CZ PHE A 49 1.559 -1.059 8.289 1.00 0.00 C ATOM 0 H PHE A 49 -1.227 3.397 4.392 1.00 0.00 H new ATOM 0 HA PHE A 49 0.807 1.403 3.573 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.886 2.587 5.262 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.395 2.988 6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.824 0.263 5.461 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.482 1.576 7.806 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.187 -1.602 7.016 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.119 -0.287 9.365 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.722 -1.877 8.975 1.00 0.00 H new ATOM 267 N VAL A 50 -0.653 -0.499 4.153 1.00 0.00 N ATOM 268 CA VAL A 50 -1.538 -1.628 4.411 1.00 0.00 C ATOM 269 C VAL A 50 -0.893 -2.625 5.367 1.00 0.00 C ATOM 270 O VAL A 50 0.284 -2.958 5.232 1.00 0.00 O ATOM 271 CB VAL A 50 -1.915 -2.355 3.106 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.969 -3.419 3.373 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.402 -1.360 2.064 1.00 0.00 C ATOM 0 H VAL A 50 0.139 -0.714 3.548 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.442 -1.224 4.868 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.025 -2.849 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.223 -3.922 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.579 -4.148 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.862 -2.951 3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.664 -1.891 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.279 -0.836 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.612 -0.639 1.852 1.00 0.00 H new ATOM 283 N GLY A 51 -1.672 -3.100 6.334 1.00 0.00 N ATOM 284 CA GLY A 51 -1.159 -4.055 7.299 1.00 0.00 C ATOM 285 C GLY A 51 -1.993 -5.319 7.363 1.00 0.00 C ATOM 286 O GLY A 51 -2.096 -5.948 8.416 1.00 0.00 O ATOM 0 H GLY A 51 -2.649 -2.840 6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.132 -4.313 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.131 -3.591 8.285 1.00 0.00 H new ATOM 290 N GLN A 52 -2.592 -5.689 6.236 1.00 0.00 N ATOM 291 CA GLN A 52 -3.423 -6.885 6.170 1.00 0.00 C ATOM 292 C GLN A 52 -3.077 -7.723 4.943 1.00 0.00 C ATOM 293 O GLN A 52 -3.962 -8.258 4.276 1.00 0.00 O ATOM 294 CB GLN A 52 -4.904 -6.502 6.140 1.00 0.00 C ATOM 295 CG GLN A 52 -5.840 -7.670 6.402 1.00 0.00 C ATOM 296 CD GLN A 52 -5.865 -8.082 7.861 1.00 0.00 C ATOM 297 OE1 GLN A 52 -5.737 -9.262 8.187 1.00 0.00 O ATOM 298 NE2 GLN A 52 -6.030 -7.108 8.749 1.00 0.00 N ATOM 0 H GLN A 52 -2.517 -5.178 5.356 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.227 -7.482 7.061 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.086 -5.728 6.885 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.139 -6.070 5.167 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.848 -7.400 6.087 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.533 -8.520 5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.132 -6.143 8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.054 -7.325 9.745 1.00 0.00 H new ATOM 307 N ILE A 53 -1.785 -7.831 4.653 1.00 0.00 N ATOM 308 CA ILE A 53 -1.323 -8.604 3.506 1.00 0.00 C ATOM 309 C ILE A 53 -0.767 -9.955 3.942 1.00 0.00 C ATOM 310 O ILE A 53 0.271 -10.044 4.598 1.00 0.00 O ATOM 311 CB ILE A 53 -0.240 -7.846 2.716 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.705 -6.421 2.409 1.00 0.00 C ATOM 313 CG2 ILE A 53 0.096 -8.588 1.432 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.410 -5.507 1.952 1.00 0.00 C ATOM 0 H ILE A 53 -1.040 -7.394 5.195 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.188 -8.761 2.862 1.00 0.00 H new ATOM 0 HB ILE A 53 0.662 -7.790 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.474 -6.457 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.168 -5.998 3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.863 -8.040 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.465 -9.585 1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.799 -8.672 0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.008 -4.514 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.169 -5.441 2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.858 -5.906 1.042 1.00 0.00 H new ATOM 326 N PRO A 54 -1.471 -11.033 3.569 1.00 0.00 N ATOM 327 CA PRO A 54 -1.066 -12.400 3.908 1.00 0.00 C ATOM 328 C PRO A 54 0.187 -12.837 3.156 1.00 0.00 C ATOM 329 O PRO A 54 0.714 -12.096 2.326 1.00 0.00 O ATOM 330 CB PRO A 54 -2.269 -13.244 3.479 1.00 0.00 C ATOM 331 CG PRO A 54 -2.933 -12.442 2.414 1.00 0.00 C ATOM 332 CD PRO A 54 -2.718 -11.001 2.786 1.00 0.00 C ATOM 0 HA PRO A 54 -0.813 -12.500 4.964 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.956 -14.218 3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.943 -13.427 4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.504 -12.661 1.436 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.996 -12.675 2.355 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.622 -10.368 1.904 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.550 -10.609 3.371 1.00 0.00 H new ATOM 340 N ARG A 55 0.659 -14.044 3.452 1.00 0.00 N ATOM 341 CA ARG A 55 1.850 -14.578 2.804 1.00 0.00 C ATOM 342 C ARG A 55 1.475 -15.447 1.607 1.00 0.00 C ATOM 343 O ARG A 55 0.804 -16.468 1.755 1.00 0.00 O ATOM 344 CB ARG A 55 2.676 -15.394 3.801 1.00 0.00 C ATOM 345 CG ARG A 55 4.151 -15.480 3.443 1.00 0.00 C ATOM 346 CD ARG A 55 4.820 -16.667 4.117 1.00 0.00 C ATOM 347 NE ARG A 55 5.931 -17.191 3.327 1.00 0.00 N ATOM 348 CZ ARG A 55 6.751 -18.145 3.754 1.00 0.00 C ATOM 349 NH1 ARG A 55 6.584 -18.678 4.956 1.00 0.00 N ATOM 350 NH2 ARG A 55 7.739 -18.569 2.976 1.00 0.00 N ATOM 0 H ARG A 55 0.234 -14.670 4.136 1.00 0.00 H new ATOM 0 HA ARG A 55 2.447 -13.738 2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.576 -14.950 4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.266 -16.402 3.861 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.260 -15.566 2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.653 -14.560 3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.184 -16.368 5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.084 -17.456 4.276 1.00 0.00 H new ATOM 0 HE ARG A 55 6.086 -16.803 2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.824 -18.356 5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.215 -19.410 5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.869 -18.162 2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.368 -19.301 3.304 1.00 0.00 H new ATOM 364 N GLY A 56 1.912 -15.033 0.422 1.00 0.00 N ATOM 365 CA GLY A 56 1.611 -15.785 -0.783 1.00 0.00 C ATOM 366 C GLY A 56 1.251 -14.888 -1.951 1.00 0.00 C ATOM 367 O GLY A 56 1.439 -15.260 -3.110 1.00 0.00 O ATOM 0 H GLY A 56 2.469 -14.191 0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.473 -16.397 -1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.785 -16.468 -0.585 1.00 0.00 H new ATOM 371 N LEU A 57 0.730 -13.704 -1.647 1.00 0.00 N ATOM 372 CA LEU A 57 0.340 -12.752 -2.681 1.00 0.00 C ATOM 373 C LEU A 57 1.409 -11.679 -2.863 1.00 0.00 C ATOM 374 O LEU A 57 2.388 -11.631 -2.119 1.00 0.00 O ATOM 375 CB LEU A 57 -0.997 -12.100 -2.324 1.00 0.00 C ATOM 376 CG LEU A 57 -2.170 -13.055 -2.098 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.403 -12.289 -1.646 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.465 -13.846 -3.364 1.00 0.00 C ATOM 0 H LEU A 57 0.568 -13.381 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 57 0.233 -13.296 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.859 -11.506 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.266 -11.409 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.896 -13.757 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.227 -12.985 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.186 -11.769 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.681 -11.563 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.302 -14.520 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.719 -13.159 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.586 -14.426 -3.644 1.00 0.00 H new ATOM 390 N ASP A 58 1.212 -10.818 -3.856 1.00 0.00 N ATOM 391 CA ASP A 58 2.158 -9.743 -4.134 1.00 0.00 C ATOM 392 C ASP A 58 1.437 -8.515 -4.681 1.00 0.00 C ATOM 393 O ASP A 58 0.209 -8.485 -4.753 1.00 0.00 O ATOM 394 CB ASP A 58 3.219 -10.213 -5.130 1.00 0.00 C ATOM 395 CG ASP A 58 3.694 -11.625 -4.847 1.00 0.00 C ATOM 396 OD1 ASP A 58 2.949 -12.577 -5.162 1.00 0.00 O ATOM 397 OD2 ASP A 58 4.811 -11.777 -4.311 1.00 0.00 O ATOM 0 H ASP A 58 0.407 -10.843 -4.481 1.00 0.00 H new ATOM 0 HA ASP A 58 2.646 -9.470 -3.198 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.812 -10.165 -6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.070 -9.533 -5.097 1.00 0.00 H new ATOM 402 N GLU A 59 2.211 -7.503 -5.064 1.00 0.00 N ATOM 403 CA GLU A 59 1.645 -6.272 -5.602 1.00 0.00 C ATOM 404 C GLU A 59 0.774 -6.560 -6.822 1.00 0.00 C ATOM 405 O GLU A 59 -0.092 -5.763 -7.180 1.00 0.00 O ATOM 406 CB GLU A 59 2.761 -5.294 -5.978 1.00 0.00 C ATOM 407 CG GLU A 59 3.735 -5.018 -4.846 1.00 0.00 C ATOM 408 CD GLU A 59 4.910 -5.977 -4.841 1.00 0.00 C ATOM 409 OE1 GLU A 59 4.766 -7.089 -4.292 1.00 0.00 O ATOM 410 OE2 GLU A 59 5.973 -5.614 -5.387 1.00 0.00 O ATOM 0 H GLU A 59 3.230 -7.512 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 59 1.021 -5.822 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.311 -5.694 -6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.315 -4.353 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.105 -3.996 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.209 -5.088 -3.894 1.00 0.00 H new ATOM 417 N GLN A 60 1.012 -7.705 -7.454 1.00 0.00 N ATOM 418 CA GLN A 60 0.251 -8.098 -8.633 1.00 0.00 C ATOM 419 C GLN A 60 -1.164 -8.520 -8.252 1.00 0.00 C ATOM 420 O GLN A 60 -2.065 -8.536 -9.091 1.00 0.00 O ATOM 421 CB GLN A 60 0.957 -9.241 -9.365 1.00 0.00 C ATOM 422 CG GLN A 60 2.190 -8.799 -10.136 1.00 0.00 C ATOM 423 CD GLN A 60 2.789 -9.915 -10.969 1.00 0.00 C ATOM 424 OE1 GLN A 60 2.245 -10.290 -12.008 1.00 0.00 O ATOM 425 NE2 GLN A 60 3.915 -10.453 -10.516 1.00 0.00 N ATOM 0 H GLN A 60 1.725 -8.376 -7.169 1.00 0.00 H new ATOM 0 HA GLN A 60 0.187 -7.236 -9.297 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.245 -10.002 -8.640 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.255 -9.708 -10.056 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.927 -7.966 -10.787 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.940 -8.431 -9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.331 -10.111 -9.650 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.364 -11.208 -11.034 1.00 0.00 H new ATOM 434 N ASP A 61 -1.352 -8.862 -6.982 1.00 0.00 N ATOM 435 CA ASP A 61 -2.658 -9.284 -6.489 1.00 0.00 C ATOM 436 C ASP A 61 -3.361 -8.141 -5.763 1.00 0.00 C ATOM 437 O ASP A 61 -4.590 -8.097 -5.694 1.00 0.00 O ATOM 438 CB ASP A 61 -2.510 -10.485 -5.553 1.00 0.00 C ATOM 439 CG ASP A 61 -3.837 -10.935 -4.975 1.00 0.00 C ATOM 440 OD1 ASP A 61 -4.587 -11.637 -5.685 1.00 0.00 O ATOM 441 OD2 ASP A 61 -4.125 -10.586 -3.811 1.00 0.00 O ATOM 0 H ASP A 61 -0.617 -8.855 -6.275 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.266 -9.574 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.055 -11.312 -6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.832 -10.227 -4.740 1.00 0.00 H new ATOM 446 N LEU A 62 -2.573 -7.218 -5.222 1.00 0.00 N ATOM 447 CA LEU A 62 -3.119 -6.074 -4.500 1.00 0.00 C ATOM 448 C LEU A 62 -3.319 -4.885 -5.434 1.00 0.00 C ATOM 449 O LEU A 62 -4.175 -4.033 -5.197 1.00 0.00 O ATOM 450 CB LEU A 62 -2.190 -5.682 -3.349 1.00 0.00 C ATOM 451 CG LEU A 62 -1.923 -6.766 -2.304 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.690 -6.422 -1.482 1.00 0.00 C ATOM 453 CD2 LEU A 62 -3.134 -6.947 -1.401 1.00 0.00 C ATOM 0 H LEU A 62 -1.554 -7.239 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.089 -6.361 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.235 -5.368 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.616 -4.815 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.739 -7.706 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.515 -7.204 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.176 -6.344 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.846 -5.471 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.926 -7.722 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.350 -6.009 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.995 -7.240 -2.002 1.00 0.00 H new ATOM 465 N LYS A 63 -2.525 -4.836 -6.499 1.00 0.00 N ATOM 466 CA LYS A 63 -2.617 -3.754 -7.472 1.00 0.00 C ATOM 467 C LYS A 63 -4.036 -3.630 -8.016 1.00 0.00 C ATOM 468 O LYS A 63 -4.595 -2.538 -8.117 1.00 0.00 O ATOM 469 CB LYS A 63 -1.637 -3.992 -8.623 1.00 0.00 C ATOM 470 CG LYS A 63 -0.286 -3.326 -8.419 1.00 0.00 C ATOM 471 CD LYS A 63 -0.307 -1.874 -8.865 1.00 0.00 C ATOM 472 CE LYS A 63 1.057 -1.424 -9.364 1.00 0.00 C ATOM 473 NZ LYS A 63 1.343 -1.935 -10.733 1.00 0.00 N ATOM 0 H LYS A 63 -1.811 -5.533 -6.710 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.358 -2.823 -6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.489 -5.065 -8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.079 -3.622 -9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.008 -3.380 -7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.476 -3.868 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.045 -1.746 -9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.618 -1.241 -8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.102 -0.335 -9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.828 -1.773 -8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.371 -2.021 -10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.900 -2.868 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.958 -1.274 -11.438 1.00 0.00 H new ATOM 487 N PRO A 64 -4.635 -4.775 -8.375 1.00 0.00 N ATOM 488 CA PRO A 64 -5.998 -4.821 -8.913 1.00 0.00 C ATOM 489 C PRO A 64 -6.979 -4.006 -8.078 1.00 0.00 C ATOM 490 O PRO A 64 -7.663 -3.121 -8.593 1.00 0.00 O ATOM 491 CB PRO A 64 -6.353 -6.309 -8.854 1.00 0.00 C ATOM 492 CG PRO A 64 -5.042 -7.014 -8.920 1.00 0.00 C ATOM 493 CD PRO A 64 -4.028 -6.114 -8.283 1.00 0.00 C ATOM 0 HA PRO A 64 -6.055 -4.395 -9.914 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.888 -6.552 -7.936 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.999 -6.595 -9.684 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.091 -7.970 -8.398 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.771 -7.229 -9.954 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.838 -6.396 -7.247 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.072 -6.156 -8.805 1.00 0.00 H new ATOM 501 N LEU A 65 -7.043 -4.309 -6.786 1.00 0.00 N ATOM 502 CA LEU A 65 -7.940 -3.603 -5.878 1.00 0.00 C ATOM 503 C LEU A 65 -7.607 -2.115 -5.831 1.00 0.00 C ATOM 504 O LEU A 65 -8.482 -1.267 -6.006 1.00 0.00 O ATOM 505 CB LEU A 65 -7.851 -4.202 -4.473 1.00 0.00 C ATOM 506 CG LEU A 65 -8.154 -5.697 -4.361 1.00 0.00 C ATOM 507 CD1 LEU A 65 -7.981 -6.170 -2.926 1.00 0.00 C ATOM 508 CD2 LEU A 65 -9.562 -5.995 -4.856 1.00 0.00 C ATOM 0 H LEU A 65 -6.484 -5.039 -6.344 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.958 -3.717 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.847 -4.025 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.541 -3.662 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.447 -6.239 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.201 -7.236 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.954 -5.992 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.664 -5.621 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.760 -7.063 -4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.284 -5.442 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.652 -5.693 -5.900 1.00 0.00 H new ATOM 520 N PHE A 66 -6.337 -1.806 -5.594 1.00 0.00 N ATOM 521 CA PHE A 66 -5.888 -0.420 -5.525 1.00 0.00 C ATOM 522 C PHE A 66 -6.193 0.316 -6.826 1.00 0.00 C ATOM 523 O PHE A 66 -6.330 1.539 -6.842 1.00 0.00 O ATOM 524 CB PHE A 66 -4.387 -0.362 -5.232 1.00 0.00 C ATOM 525 CG PHE A 66 -4.004 -1.012 -3.934 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.755 -0.799 -2.789 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.893 -1.837 -3.858 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.404 -1.396 -1.593 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.537 -2.436 -2.664 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.295 -2.216 -1.530 1.00 0.00 C ATOM 0 H PHE A 66 -5.600 -2.496 -5.446 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.428 0.071 -4.716 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.847 -0.847 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.068 0.680 -5.215 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.624 -0.159 -2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.298 -2.014 -4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.997 -1.221 -0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.668 -3.075 -2.618 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.021 -2.684 -0.596 1.00 0.00 H new ATOM 540 N GLU A 67 -6.296 -0.438 -7.916 1.00 0.00 N ATOM 541 CA GLU A 67 -6.582 0.143 -9.222 1.00 0.00 C ATOM 542 C GLU A 67 -8.086 0.297 -9.431 1.00 0.00 C ATOM 543 O GLU A 67 -8.530 0.827 -10.449 1.00 0.00 O ATOM 544 CB GLU A 67 -5.989 -0.726 -10.333 1.00 0.00 C ATOM 545 CG GLU A 67 -4.523 -0.438 -10.614 1.00 0.00 C ATOM 546 CD GLU A 67 -4.120 -0.793 -12.032 1.00 0.00 C ATOM 547 OE1 GLU A 67 -4.410 -1.929 -12.464 1.00 0.00 O ATOM 548 OE2 GLU A 67 -3.515 0.063 -12.709 1.00 0.00 O ATOM 0 H GLU A 67 -6.186 -1.452 -7.920 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.123 1.131 -9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.099 -1.775 -10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.562 -0.573 -11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.324 0.619 -10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.905 -1.000 -9.913 1.00 0.00 H new ATOM 555 N GLU A 68 -8.863 -0.171 -8.459 1.00 0.00 N ATOM 556 CA GLU A 68 -10.317 -0.087 -8.537 1.00 0.00 C ATOM 557 C GLU A 68 -10.803 1.305 -8.143 1.00 0.00 C ATOM 558 O GLU A 68 -11.903 1.718 -8.511 1.00 0.00 O ATOM 559 CB GLU A 68 -10.961 -1.139 -7.632 1.00 0.00 C ATOM 560 CG GLU A 68 -12.402 -1.456 -7.996 1.00 0.00 C ATOM 561 CD GLU A 68 -12.823 -2.845 -7.556 1.00 0.00 C ATOM 562 OE1 GLU A 68 -12.363 -3.828 -8.174 1.00 0.00 O ATOM 563 OE2 GLU A 68 -13.612 -2.949 -6.593 1.00 0.00 O ATOM 0 H GLU A 68 -8.510 -0.612 -7.609 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.611 -0.278 -9.569 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.373 -2.056 -7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.924 -0.790 -6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.060 -0.718 -7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.528 -1.367 -9.075 1.00 0.00 H new ATOM 570 N PHE A 69 -9.976 2.023 -7.391 1.00 0.00 N ATOM 571 CA PHE A 69 -10.321 3.367 -6.944 1.00 0.00 C ATOM 572 C PHE A 69 -9.634 4.421 -7.809 1.00 0.00 C ATOM 573 O PHE A 69 -10.195 5.483 -8.074 1.00 0.00 O ATOM 574 CB PHE A 69 -9.925 3.558 -5.478 1.00 0.00 C ATOM 575 CG PHE A 69 -10.657 2.645 -4.536 1.00 0.00 C ATOM 576 CD1 PHE A 69 -11.871 3.025 -3.986 1.00 0.00 C ATOM 577 CD2 PHE A 69 -10.132 1.408 -4.202 1.00 0.00 C ATOM 578 CE1 PHE A 69 -12.546 2.187 -3.118 1.00 0.00 C ATOM 579 CE2 PHE A 69 -10.803 0.565 -3.335 1.00 0.00 C ATOM 580 CZ PHE A 69 -12.012 0.955 -2.793 1.00 0.00 C ATOM 0 H PHE A 69 -9.062 1.696 -7.078 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.400 3.489 -7.041 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.853 3.390 -5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.115 4.592 -5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.294 3.986 -4.238 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.187 1.098 -4.624 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.490 2.495 -2.694 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.382 -0.397 -3.082 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.539 0.298 -2.117 1.00 0.00 H new ATOM 590 N GLY A 70 -8.415 4.117 -8.245 1.00 0.00 N ATOM 591 CA GLY A 70 -7.671 5.047 -9.074 1.00 0.00 C ATOM 592 C GLY A 70 -6.343 4.479 -9.533 1.00 0.00 C ATOM 593 O GLY A 70 -5.894 3.448 -9.031 1.00 0.00 O ATOM 0 H GLY A 70 -7.930 3.244 -8.039 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.270 5.312 -9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.496 5.967 -8.516 1.00 0.00 H new ATOM 597 N ARG A 71 -5.712 5.152 -10.490 1.00 0.00 N ATOM 598 CA ARG A 71 -4.429 4.707 -11.018 1.00 0.00 C ATOM 599 C ARG A 71 -3.349 4.763 -9.942 1.00 0.00 C ATOM 600 O ARG A 71 -3.204 5.768 -9.245 1.00 0.00 O ATOM 601 CB ARG A 71 -4.018 5.570 -12.213 1.00 0.00 C ATOM 602 CG ARG A 71 -2.826 5.021 -12.980 1.00 0.00 C ATOM 603 CD ARG A 71 -3.253 3.977 -14.000 1.00 0.00 C ATOM 604 NE ARG A 71 -2.268 3.819 -15.066 1.00 0.00 N ATOM 605 CZ ARG A 71 -2.171 4.641 -16.106 1.00 0.00 C ATOM 606 NH1 ARG A 71 -2.996 5.673 -16.217 1.00 0.00 N ATOM 607 NH2 ARG A 71 -1.248 4.431 -17.036 1.00 0.00 N ATOM 0 H ARG A 71 -6.069 6.008 -10.915 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.538 3.673 -11.345 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.865 5.662 -12.892 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.781 6.574 -11.861 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.311 5.837 -13.487 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.115 4.580 -12.282 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.402 3.020 -13.499 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.212 4.263 -14.432 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.618 3.035 -15.010 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.706 5.837 -15.504 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.920 6.303 -17.016 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.612 3.638 -16.953 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.175 5.063 -17.834 1.00 0.00 H new ATOM 621 N ILE A 72 -2.594 3.678 -9.812 1.00 0.00 N ATOM 622 CA ILE A 72 -1.527 3.604 -8.821 1.00 0.00 C ATOM 623 C ILE A 72 -0.230 4.193 -9.365 1.00 0.00 C ATOM 624 O ILE A 72 0.023 4.157 -10.569 1.00 0.00 O ATOM 625 CB ILE A 72 -1.271 2.152 -8.376 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.541 1.551 -7.768 1.00 0.00 C ATOM 627 CG2 ILE A 72 -0.123 2.098 -7.379 1.00 0.00 C ATOM 628 CD1 ILE A 72 -2.626 0.047 -7.911 1.00 0.00 C ATOM 0 H ILE A 72 -2.701 2.838 -10.380 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.855 4.186 -7.960 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.995 1.563 -9.250 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.586 1.810 -6.710 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.411 2.003 -8.244 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.046 1.065 -7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.781 2.491 -7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.372 2.699 -6.504 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.551 -0.310 -7.458 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.613 -0.219 -8.968 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.775 -0.415 -7.410 1.00 0.00 H new ATOM 640 N TYR A 73 0.590 4.732 -8.469 1.00 0.00 N ATOM 641 CA TYR A 73 1.861 5.329 -8.859 1.00 0.00 C ATOM 642 C TYR A 73 3.017 4.367 -8.601 1.00 0.00 C ATOM 643 O TYR A 73 3.968 4.300 -9.378 1.00 0.00 O ATOM 644 CB TYR A 73 2.090 6.635 -8.097 1.00 0.00 C ATOM 645 CG TYR A 73 3.356 7.358 -8.500 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.602 6.892 -8.100 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.305 8.507 -9.279 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.761 7.550 -8.466 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.458 9.170 -9.651 1.00 0.00 C ATOM 650 CZ TYR A 73 5.684 8.688 -9.241 1.00 0.00 C ATOM 651 OH TYR A 73 6.836 9.346 -9.608 1.00 0.00 O ATOM 0 H TYR A 73 0.397 4.767 -7.468 1.00 0.00 H new ATOM 0 HA TYR A 73 1.821 5.542 -9.927 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.238 7.295 -8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.128 6.421 -7.029 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.666 6.001 -7.493 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.347 8.889 -9.599 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.722 7.175 -8.147 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.400 10.061 -10.259 1.00 0.00 H new ATOM 0 HH TYR A 73 6.607 10.127 -10.153 1.00 0.00 H new ATOM 661 N GLU A 74 2.925 3.624 -7.502 1.00 0.00 N ATOM 662 CA GLU A 74 3.963 2.666 -7.140 1.00 0.00 C ATOM 663 C GLU A 74 3.510 1.786 -5.978 1.00 0.00 C ATOM 664 O GLU A 74 2.914 2.269 -5.015 1.00 0.00 O ATOM 665 CB GLU A 74 5.255 3.396 -6.768 1.00 0.00 C ATOM 666 CG GLU A 74 6.370 2.467 -6.316 1.00 0.00 C ATOM 667 CD GLU A 74 7.621 3.217 -5.901 1.00 0.00 C ATOM 668 OE1 GLU A 74 7.489 4.308 -5.308 1.00 0.00 O ATOM 669 OE2 GLU A 74 8.732 2.713 -6.169 1.00 0.00 O ATOM 0 H GLU A 74 2.143 3.667 -6.848 1.00 0.00 H new ATOM 0 HA GLU A 74 4.151 2.029 -8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.598 3.971 -7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.043 4.110 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.018 1.863 -5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.615 1.779 -7.125 1.00 0.00 H new ATOM 676 N LEU A 75 3.797 0.493 -6.077 1.00 0.00 N ATOM 677 CA LEU A 75 3.420 -0.456 -5.035 1.00 0.00 C ATOM 678 C LEU A 75 4.608 -1.322 -4.630 1.00 0.00 C ATOM 679 O LEU A 75 5.165 -2.053 -5.450 1.00 0.00 O ATOM 680 CB LEU A 75 2.269 -1.341 -5.516 1.00 0.00 C ATOM 681 CG LEU A 75 1.672 -2.290 -4.476 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.536 -1.592 -3.132 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.323 -2.815 -4.946 1.00 0.00 C ATOM 0 H LEU A 75 4.289 0.078 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 75 3.094 0.111 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.473 -0.696 -5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.621 -1.934 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 75 2.347 -3.137 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.110 -2.283 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.518 -1.266 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.882 -0.726 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.087 -3.489 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.360 -1.979 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.449 -3.354 -5.885 1.00 0.00 H new ATOM 695 N THR A 76 4.991 -1.237 -3.360 1.00 0.00 N ATOM 696 CA THR A 76 6.112 -2.014 -2.846 1.00 0.00 C ATOM 697 C THR A 76 5.760 -2.676 -1.519 1.00 0.00 C ATOM 698 O THR A 76 5.383 -2.004 -0.559 1.00 0.00 O ATOM 699 CB THR A 76 7.362 -1.135 -2.653 1.00 0.00 C ATOM 700 OG1 THR A 76 7.946 -0.827 -3.923 1.00 0.00 O ATOM 701 CG2 THR A 76 8.387 -1.837 -1.775 1.00 0.00 C ATOM 0 H THR A 76 4.541 -0.638 -2.668 1.00 0.00 H new ATOM 0 HA THR A 76 6.329 -2.784 -3.586 1.00 0.00 H new ATOM 0 HB THR A 76 7.057 -0.212 -2.161 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.739 -0.267 -3.791 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.261 -1.197 -1.653 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.949 -2.043 -0.798 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.686 -2.774 -2.244 1.00 0.00 H new ATOM 709 N VAL A 77 5.886 -3.998 -1.471 1.00 0.00 N ATOM 710 CA VAL A 77 5.583 -4.751 -0.260 1.00 0.00 C ATOM 711 C VAL A 77 6.797 -4.828 0.659 1.00 0.00 C ATOM 712 O VAL A 77 7.907 -5.125 0.215 1.00 0.00 O ATOM 713 CB VAL A 77 5.113 -6.180 -0.591 1.00 0.00 C ATOM 714 CG1 VAL A 77 4.872 -6.972 0.685 1.00 0.00 C ATOM 715 CG2 VAL A 77 3.858 -6.143 -1.449 1.00 0.00 C ATOM 0 H VAL A 77 6.196 -4.570 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 77 4.779 -4.220 0.249 1.00 0.00 H new ATOM 0 HB VAL A 77 5.899 -6.679 -1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.541 -7.979 0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.797 -7.028 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.105 -6.477 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.540 -7.161 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.064 -5.625 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.069 -5.616 -2.379 1.00 0.00 H new ATOM 725 N LEU A 78 6.580 -4.557 1.941 1.00 0.00 N ATOM 726 CA LEU A 78 7.657 -4.595 2.924 1.00 0.00 C ATOM 727 C LEU A 78 7.962 -6.030 3.342 1.00 0.00 C ATOM 728 O LEU A 78 7.055 -6.845 3.512 1.00 0.00 O ATOM 729 CB LEU A 78 7.283 -3.763 4.152 1.00 0.00 C ATOM 730 CG LEU A 78 7.379 -2.245 3.988 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.520 -1.542 5.028 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.826 -1.788 4.091 1.00 0.00 C ATOM 0 H LEU A 78 5.668 -4.309 2.324 1.00 0.00 H new ATOM 0 HA LEU A 78 8.550 -4.172 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.262 -4.014 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.928 -4.061 4.978 1.00 0.00 H new ATOM 0 HG LEU A 78 7.006 -1.980 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.600 -0.463 4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.480 -1.846 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.863 -1.813 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.875 -0.706 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.226 -2.064 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.415 -2.266 3.308 1.00 0.00 H new ATOM 744 N LYS A 79 9.245 -6.332 3.508 1.00 0.00 N ATOM 745 CA LYS A 79 9.672 -7.667 3.910 1.00 0.00 C ATOM 746 C LYS A 79 10.751 -7.593 4.985 1.00 0.00 C ATOM 747 O LYS A 79 11.310 -6.528 5.245 1.00 0.00 O ATOM 748 CB LYS A 79 10.195 -8.444 2.700 1.00 0.00 C ATOM 749 CG LYS A 79 9.121 -9.236 1.974 1.00 0.00 C ATOM 750 CD LYS A 79 9.470 -9.437 0.509 1.00 0.00 C ATOM 751 CE LYS A 79 9.182 -8.188 -0.309 1.00 0.00 C ATOM 752 NZ LYS A 79 9.931 -8.184 -1.597 1.00 0.00 N ATOM 0 H LYS A 79 10.008 -5.669 3.370 1.00 0.00 H new ATOM 0 HA LYS A 79 8.808 -8.188 4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.654 -7.745 2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.978 -9.127 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.995 -10.206 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.167 -8.715 2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.524 -9.698 0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.898 -10.275 0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.113 -8.124 -0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.451 -7.304 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.708 -7.317 -2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.952 -8.219 -1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.656 -9.013 -2.161 1.00 0.00 H new ATOM 766 N ASP A 80 11.040 -8.732 5.606 1.00 0.00 N ATOM 767 CA ASP A 80 12.055 -8.796 6.652 1.00 0.00 C ATOM 768 C ASP A 80 13.455 -8.680 6.058 1.00 0.00 C ATOM 769 O ASP A 80 13.615 -8.497 4.851 1.00 0.00 O ATOM 770 CB ASP A 80 11.927 -10.102 7.437 1.00 0.00 C ATOM 771 CG ASP A 80 10.884 -10.019 8.534 1.00 0.00 C ATOM 772 OD1 ASP A 80 11.151 -9.353 9.556 1.00 0.00 O ATOM 773 OD2 ASP A 80 9.801 -10.620 8.371 1.00 0.00 O ATOM 0 H ASP A 80 10.586 -9.623 5.403 1.00 0.00 H new ATOM 0 HA ASP A 80 11.897 -7.957 7.330 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.667 -10.910 6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.892 -10.355 7.876 1.00 0.00 H new ATOM 778 N ARG A 81 14.466 -8.788 6.914 1.00 0.00 N ATOM 779 CA ARG A 81 15.853 -8.692 6.474 1.00 0.00 C ATOM 780 C ARG A 81 16.610 -9.981 6.780 1.00 0.00 C ATOM 781 O ARG A 81 17.280 -10.542 5.912 1.00 0.00 O ATOM 782 CB ARG A 81 16.545 -7.508 7.152 1.00 0.00 C ATOM 783 CG ARG A 81 18.039 -7.441 6.883 1.00 0.00 C ATOM 784 CD ARG A 81 18.559 -6.015 6.976 1.00 0.00 C ATOM 785 NE ARG A 81 19.988 -5.933 6.685 1.00 0.00 N ATOM 786 CZ ARG A 81 20.735 -4.872 6.968 1.00 0.00 C ATOM 787 NH1 ARG A 81 20.193 -3.810 7.547 1.00 0.00 N ATOM 788 NH2 ARG A 81 22.029 -4.873 6.673 1.00 0.00 N ATOM 0 H ARG A 81 14.351 -8.942 7.916 1.00 0.00 H new ATOM 0 HA ARG A 81 15.856 -8.536 5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 81 16.081 -6.583 6.811 1.00 0.00 H new ATOM 0 HB3 ARG A 81 16.380 -7.569 8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 81 18.567 -8.069 7.600 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.250 -7.842 5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.010 -5.383 6.278 1.00 0.00 H new ATOM 0 HD3 ARG A 81 18.370 -5.625 7.976 1.00 0.00 H new ATOM 0 HE ARG A 81 20.436 -6.734 6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 81 19.199 -3.806 7.777 1.00 0.00 H new ATOM 0 HH12 ARG A 81 20.770 -2.997 7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 81 22.450 -5.689 6.229 1.00 0.00 H new ATOM 0 HH22 ARG A 81 22.602 -4.058 6.891 1.00 0.00 H new ATOM 802 N LEU A 82 16.499 -10.446 8.020 1.00 0.00 N ATOM 803 CA LEU A 82 17.173 -11.669 8.442 1.00 0.00 C ATOM 804 C LEU A 82 16.599 -12.884 7.721 1.00 0.00 C ATOM 805 O LEU A 82 17.337 -13.768 7.285 1.00 0.00 O ATOM 806 CB LEU A 82 17.043 -11.850 9.955 1.00 0.00 C ATOM 807 CG LEU A 82 18.023 -11.050 10.814 1.00 0.00 C ATOM 808 CD1 LEU A 82 17.502 -10.919 12.237 1.00 0.00 C ATOM 809 CD2 LEU A 82 19.397 -11.704 10.806 1.00 0.00 C ATOM 0 H LEU A 82 15.949 -9.994 8.751 1.00 0.00 H new ATOM 0 HA LEU A 82 18.228 -11.581 8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 82 16.029 -11.578 10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.168 -12.908 10.186 1.00 0.00 H new ATOM 0 HG LEU A 82 18.116 -10.051 10.389 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.213 -10.347 12.833 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.541 -10.406 12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.379 -11.911 12.672 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.081 -11.121 11.422 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.321 -12.715 11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.775 -11.745 9.784 1.00 0.00 H new ATOM 821 N THR A 83 15.276 -12.921 7.597 1.00 0.00 N ATOM 822 CA THR A 83 14.601 -14.026 6.928 1.00 0.00 C ATOM 823 C THR A 83 14.114 -13.616 5.543 1.00 0.00 C ATOM 824 O THR A 83 13.756 -14.462 4.724 1.00 0.00 O ATOM 825 CB THR A 83 13.404 -14.535 7.752 1.00 0.00 C ATOM 826 OG1 THR A 83 12.427 -13.497 7.888 1.00 0.00 O ATOM 827 CG2 THR A 83 13.852 -15.000 9.129 1.00 0.00 C ATOM 0 H THR A 83 14.650 -12.198 7.952 1.00 0.00 H new ATOM 0 HA THR A 83 15.332 -14.829 6.829 1.00 0.00 H new ATOM 0 HB THR A 83 12.964 -15.382 7.226 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.668 -13.829 8.412 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.989 -15.355 9.692 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.574 -15.810 9.023 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.315 -14.169 9.661 1.00 0.00 H new ATOM 835 N GLY A 84 14.102 -12.311 5.287 1.00 0.00 N ATOM 836 CA GLY A 84 13.657 -11.812 4.000 1.00 0.00 C ATOM 837 C GLY A 84 12.277 -12.316 3.628 1.00 0.00 C ATOM 838 O GLY A 84 11.931 -12.388 2.448 1.00 0.00 O ATOM 0 H GLY A 84 14.393 -11.591 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.649 -10.722 4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.369 -12.112 3.231 1.00 0.00 H new ATOM 842 N LEU A 85 11.486 -12.669 4.635 1.00 0.00 N ATOM 843 CA LEU A 85 10.136 -13.172 4.409 1.00 0.00 C ATOM 844 C LEU A 85 9.118 -12.036 4.448 1.00 0.00 C ATOM 845 O LEU A 85 9.434 -10.919 4.859 1.00 0.00 O ATOM 846 CB LEU A 85 9.780 -14.227 5.458 1.00 0.00 C ATOM 847 CG LEU A 85 10.243 -15.653 5.159 1.00 0.00 C ATOM 848 CD1 LEU A 85 10.101 -16.530 6.393 1.00 0.00 C ATOM 849 CD2 LEU A 85 9.456 -16.236 3.994 1.00 0.00 C ATOM 0 H LEU A 85 11.757 -12.616 5.617 1.00 0.00 H new ATOM 0 HA LEU A 85 10.106 -13.629 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.207 -13.920 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.697 -14.236 5.582 1.00 0.00 H new ATOM 0 HG LEU A 85 11.296 -15.622 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.435 -17.541 6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.709 -16.123 7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.056 -16.555 6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.799 -17.251 3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.395 -16.254 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.610 -15.621 3.107 1.00 0.00 H new ATOM 861 N HIS A 86 7.894 -12.330 4.019 1.00 0.00 N ATOM 862 CA HIS A 86 6.829 -11.334 4.008 1.00 0.00 C ATOM 863 C HIS A 86 6.385 -10.997 5.429 1.00 0.00 C ATOM 864 O HIS A 86 5.752 -11.810 6.102 1.00 0.00 O ATOM 865 CB HIS A 86 5.637 -11.840 3.196 1.00 0.00 C ATOM 866 CG HIS A 86 4.769 -10.744 2.659 1.00 0.00 C ATOM 867 ND1 HIS A 86 4.127 -9.829 3.466 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.438 -10.419 1.387 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.439 -8.988 2.714 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.611 -9.325 1.449 1.00 0.00 N ATOM 0 H HIS A 86 7.616 -13.249 3.675 1.00 0.00 H new ATOM 0 HA HIS A 86 7.218 -10.428 3.543 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.004 -12.442 2.365 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.033 -12.496 3.823 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.764 -10.926 0.491 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.838 -8.165 3.073 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.196 -8.849 0.648 1.00 0.00 H new ATOM 879 N LYS A 87 6.722 -9.793 5.879 1.00 0.00 N ATOM 880 CA LYS A 87 6.359 -9.347 7.218 1.00 0.00 C ATOM 881 C LYS A 87 4.843 -9.323 7.391 1.00 0.00 C ATOM 882 O LYS A 87 4.309 -9.880 8.350 1.00 0.00 O ATOM 883 CB LYS A 87 6.936 -7.956 7.489 1.00 0.00 C ATOM 884 CG LYS A 87 8.412 -7.969 7.847 1.00 0.00 C ATOM 885 CD LYS A 87 9.094 -6.671 7.449 1.00 0.00 C ATOM 886 CE LYS A 87 8.758 -5.546 8.416 1.00 0.00 C ATOM 887 NZ LYS A 87 9.402 -5.745 9.744 1.00 0.00 N ATOM 0 H LYS A 87 7.247 -9.108 5.335 1.00 0.00 H new ATOM 0 HA LYS A 87 6.778 -10.053 7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.790 -7.333 6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.378 -7.492 8.302 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.526 -8.127 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.901 -8.806 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.174 -6.819 7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.786 -6.391 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.083 -4.595 7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.677 -5.486 8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.381 -4.852 10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.887 -6.477 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.389 -6.045 9.610 1.00 0.00 H new ATOM 901 N GLY A 88 4.156 -8.674 6.456 1.00 0.00 N ATOM 902 CA GLY A 88 2.708 -8.591 6.523 1.00 0.00 C ATOM 903 C GLY A 88 2.198 -7.180 6.310 1.00 0.00 C ATOM 904 O GLY A 88 1.294 -6.727 7.013 1.00 0.00 O ATOM 0 H GLY A 88 4.576 -8.204 5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.274 -9.248 5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.371 -8.953 7.494 1.00 0.00 H new ATOM 908 N CYS A 89 2.779 -6.483 5.340 1.00 0.00 N ATOM 909 CA CYS A 89 2.379 -5.113 5.037 1.00 0.00 C ATOM 910 C CYS A 89 3.028 -4.630 3.744 1.00 0.00 C ATOM 911 O CYS A 89 3.982 -5.233 3.254 1.00 0.00 O ATOM 912 CB CYS A 89 2.758 -4.183 6.191 1.00 0.00 C ATOM 913 SG CYS A 89 4.474 -4.345 6.737 1.00 0.00 S ATOM 0 H CYS A 89 3.529 -6.844 4.750 1.00 0.00 H new ATOM 0 HA CYS A 89 1.297 -5.097 4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 89 2.581 -3.152 5.885 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.099 -4.383 7.036 1.00 0.00 H new ATOM 0 HG CYS A 89 4.699 -3.517 7.714 1.00 0.00 H new ATOM 919 N ALA A 90 2.503 -3.539 3.196 1.00 0.00 N ATOM 920 CA ALA A 90 3.031 -2.975 1.960 1.00 0.00 C ATOM 921 C ALA A 90 2.745 -1.480 1.873 1.00 0.00 C ATOM 922 O ALA A 90 1.800 -0.982 2.486 1.00 0.00 O ATOM 923 CB ALA A 90 2.444 -3.698 0.757 1.00 0.00 C ATOM 0 H ALA A 90 1.712 -3.028 3.589 1.00 0.00 H new ATOM 0 HA ALA A 90 4.112 -3.112 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.847 -3.266 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.704 -4.755 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.359 -3.591 0.762 1.00 0.00 H new ATOM 929 N PHE A 91 3.566 -0.769 1.108 1.00 0.00 N ATOM 930 CA PHE A 91 3.402 0.671 0.942 1.00 0.00 C ATOM 931 C PHE A 91 2.827 0.997 -0.433 1.00 0.00 C ATOM 932 O PHE A 91 3.488 0.812 -1.455 1.00 0.00 O ATOM 933 CB PHE A 91 4.743 1.384 1.129 1.00 0.00 C ATOM 934 CG PHE A 91 5.115 1.593 2.569 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.246 2.237 3.436 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.332 1.146 3.056 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.586 2.432 4.761 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.678 1.338 4.381 1.00 0.00 C ATOM 939 CZ PHE A 91 5.803 1.981 5.235 1.00 0.00 C ATOM 0 H PHE A 91 4.352 -1.166 0.593 1.00 0.00 H new ATOM 0 HA PHE A 91 2.703 1.022 1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.525 0.803 0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.704 2.351 0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.293 2.590 3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.019 0.641 2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.901 2.937 5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.631 0.986 4.748 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.070 2.131 6.271 1.00 0.00 H new ATOM 949 N LEU A 92 1.591 1.484 -0.450 1.00 0.00 N ATOM 950 CA LEU A 92 0.925 1.837 -1.699 1.00 0.00 C ATOM 951 C LEU A 92 0.988 3.341 -1.944 1.00 0.00 C ATOM 952 O LEU A 92 0.721 4.140 -1.045 1.00 0.00 O ATOM 953 CB LEU A 92 -0.533 1.374 -1.671 1.00 0.00 C ATOM 954 CG LEU A 92 -1.454 1.991 -2.724 1.00 0.00 C ATOM 955 CD1 LEU A 92 -1.168 1.399 -4.096 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.913 1.783 -2.345 1.00 0.00 C ATOM 0 H LEU A 92 1.030 1.643 0.387 1.00 0.00 H new ATOM 0 HA LEU A 92 1.445 1.333 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.552 0.291 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.944 1.593 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.260 3.063 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.833 1.850 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.133 1.600 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.333 0.322 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.554 2.229 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.122 0.716 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.110 2.256 -1.383 1.00 0.00 H new ATOM 968 N THR A 93 1.341 3.722 -3.168 1.00 0.00 N ATOM 969 CA THR A 93 1.438 5.130 -3.532 1.00 0.00 C ATOM 970 C THR A 93 0.515 5.461 -4.699 1.00 0.00 C ATOM 971 O THR A 93 0.557 4.806 -5.741 1.00 0.00 O ATOM 972 CB THR A 93 2.881 5.514 -3.909 1.00 0.00 C ATOM 973 OG1 THR A 93 3.769 5.206 -2.828 1.00 0.00 O ATOM 974 CG2 THR A 93 2.977 6.995 -4.244 1.00 0.00 C ATOM 0 H THR A 93 1.564 3.075 -3.924 1.00 0.00 H new ATOM 0 HA THR A 93 1.133 5.704 -2.657 1.00 0.00 H new ATOM 0 HB THR A 93 3.168 4.939 -4.789 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.685 5.452 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.005 7.243 -4.507 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.323 7.221 -5.086 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.672 7.584 -3.379 1.00 0.00 H new ATOM 982 N TYR A 94 -0.317 6.480 -4.518 1.00 0.00 N ATOM 983 CA TYR A 94 -1.252 6.897 -5.556 1.00 0.00 C ATOM 984 C TYR A 94 -0.748 8.145 -6.275 1.00 0.00 C ATOM 985 O TYR A 94 -0.088 8.995 -5.676 1.00 0.00 O ATOM 986 CB TYR A 94 -2.631 7.165 -4.952 1.00 0.00 C ATOM 987 CG TYR A 94 -3.469 5.918 -4.778 1.00 0.00 C ATOM 988 CD1 TYR A 94 -3.742 5.086 -5.856 1.00 0.00 C ATOM 989 CD2 TYR A 94 -3.988 5.574 -3.536 1.00 0.00 C ATOM 990 CE1 TYR A 94 -4.508 3.946 -5.703 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.753 4.435 -3.373 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.010 3.625 -4.459 1.00 0.00 C ATOM 993 OH TYR A 94 -5.773 2.490 -4.301 1.00 0.00 O ATOM 0 H TYR A 94 -0.363 7.033 -3.662 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.332 6.089 -6.283 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.506 7.647 -3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.168 7.867 -5.590 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.349 5.334 -6.831 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.790 6.207 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.712 3.310 -6.552 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.148 4.180 -2.400 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.101 2.192 -5.175 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.064 8.248 -7.561 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.644 9.391 -8.363 1.00 0.00 C ATOM 1005 C CYS A 95 -1.245 10.685 -7.822 1.00 0.00 C ATOM 1006 O CYS A 95 -0.618 11.742 -7.875 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.053 9.195 -9.823 1.00 0.00 C ATOM 1008 SG CYS A 95 -2.829 8.951 -10.065 1.00 0.00 S ATOM 0 H CYS A 95 -1.610 7.553 -8.071 1.00 0.00 H new ATOM 0 HA CYS A 95 0.442 9.464 -8.305 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.735 10.064 -10.398 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.520 8.334 -10.226 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.145 7.727 -9.759 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.466 10.592 -7.306 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.153 11.755 -6.756 1.00 0.00 C ATOM 1016 C ALA A 96 -3.369 11.605 -5.254 1.00 0.00 C ATOM 1017 O ALA A 96 -2.945 10.618 -4.651 1.00 0.00 O ATOM 1018 CB ALA A 96 -4.482 11.967 -7.464 1.00 0.00 C ATOM 0 H ALA A 96 -3.000 9.724 -7.257 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.523 12.629 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.984 12.838 -7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.306 12.128 -8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.110 11.087 -7.330 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.031 12.589 -4.655 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.302 12.567 -3.222 1.00 0.00 C ATOM 1026 C ARG A 97 -5.727 12.095 -2.946 1.00 0.00 C ATOM 1027 O ARG A 97 -5.993 11.456 -1.928 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.087 13.956 -2.619 1.00 0.00 C ATOM 1029 CG ARG A 97 -4.942 15.037 -3.260 1.00 0.00 C ATOM 1030 CD ARG A 97 -4.209 15.723 -4.402 1.00 0.00 C ATOM 1031 NE ARG A 97 -3.460 16.892 -3.948 1.00 0.00 N ATOM 1032 CZ ARG A 97 -4.013 18.079 -3.727 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -5.314 18.254 -3.917 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -3.265 19.094 -3.314 1.00 0.00 N ATOM 0 H ARG A 97 -4.390 13.412 -5.139 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.609 11.866 -2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.305 13.917 -1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.036 14.228 -2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.867 14.597 -3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.220 15.776 -2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -3.526 15.015 -4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.927 16.026 -5.164 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.457 16.791 -3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.892 17.476 -4.234 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.736 19.167 -3.746 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.264 18.963 -3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.691 20.005 -3.145 1.00 0.00 H new ATOM 1048 N ASP A 98 -6.638 12.416 -3.858 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.035 12.025 -3.713 1.00 0.00 C ATOM 1050 C ASP A 98 -8.188 10.510 -3.808 1.00 0.00 C ATOM 1051 O ASP A 98 -8.824 9.886 -2.959 1.00 0.00 O ATOM 1052 CB ASP A 98 -8.891 12.704 -4.784 1.00 0.00 C ATOM 1053 CG ASP A 98 -8.783 14.215 -4.738 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -9.436 14.830 -3.869 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -8.046 14.784 -5.571 1.00 0.00 O ATOM 0 H ASP A 98 -6.434 12.946 -4.705 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.376 12.346 -2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.584 12.350 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.933 12.413 -4.651 1.00 0.00 H new ATOM 1060 N SER A 99 -7.602 9.925 -4.847 1.00 0.00 N ATOM 1061 CA SER A 99 -7.677 8.483 -5.056 1.00 0.00 C ATOM 1062 C SER A 99 -7.325 7.730 -3.777 1.00 0.00 C ATOM 1063 O SER A 99 -7.982 6.754 -3.418 1.00 0.00 O ATOM 1064 CB SER A 99 -6.736 8.060 -6.186 1.00 0.00 C ATOM 1065 OG SER A 99 -7.223 8.493 -7.444 1.00 0.00 O ATOM 0 H SER A 99 -7.070 10.427 -5.558 1.00 0.00 H new ATOM 0 HA SER A 99 -8.701 8.234 -5.334 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.744 8.478 -6.013 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.629 6.975 -6.188 1.00 0.00 H new ATOM 0 HG SER A 99 -6.603 8.212 -8.149 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.283 8.192 -3.093 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.844 7.564 -1.853 1.00 0.00 C ATOM 1073 C ALA A 100 -6.908 7.689 -0.768 1.00 0.00 C ATOM 1074 O ALA A 100 -7.359 6.689 -0.208 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.534 8.181 -1.385 1.00 0.00 C ATOM 0 H ALA A 100 -5.727 8.999 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.684 6.503 -2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.217 7.703 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.770 8.035 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.675 9.248 -1.213 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.304 8.923 -0.474 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.315 9.179 0.546 1.00 0.00 C ATOM 1083 C LEU A 101 -9.483 8.206 0.411 1.00 0.00 C ATOM 1084 O LEU A 101 -9.903 7.584 1.388 1.00 0.00 O ATOM 1085 CB LEU A 101 -8.822 10.618 0.440 1.00 0.00 C ATOM 1086 CG LEU A 101 -7.773 11.714 0.633 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.270 13.035 0.066 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.423 11.864 2.107 1.00 0.00 C ATOM 0 H LEU A 101 -6.941 9.761 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.855 9.033 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.280 10.750 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.608 10.761 1.181 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.871 11.426 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.510 13.803 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.470 12.921 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.186 13.329 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.675 12.648 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.319 12.129 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.024 10.922 2.484 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.001 8.077 -0.805 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.118 7.177 -1.070 1.00 0.00 C ATOM 1102 C LYS A 102 -10.753 5.739 -0.716 1.00 0.00 C ATOM 1103 O LYS A 102 -11.270 5.177 0.249 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.531 7.263 -2.541 1.00 0.00 C ATOM 1105 CG LYS A 102 -11.943 8.659 -2.976 1.00 0.00 C ATOM 1106 CD LYS A 102 -11.844 8.824 -4.483 1.00 0.00 C ATOM 1107 CE LYS A 102 -12.062 10.271 -4.900 1.00 0.00 C ATOM 1108 NZ LYS A 102 -13.507 10.591 -5.059 1.00 0.00 N ATOM 0 H LYS A 102 -9.665 8.584 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 102 -11.957 7.485 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.701 6.928 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.359 6.577 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.966 8.855 -2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.308 9.397 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.864 8.490 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.584 8.188 -4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.623 10.934 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.543 10.460 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.613 11.586 -5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.920 9.976 -5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.999 10.435 -4.156 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.859 5.150 -1.503 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.423 3.778 -1.271 1.00 0.00 C ATOM 1124 C ALA A 103 -9.135 3.536 0.207 1.00 0.00 C ATOM 1125 O ALA A 103 -9.292 2.422 0.704 1.00 0.00 O ATOM 1126 CB ALA A 103 -8.191 3.467 -2.108 1.00 0.00 C ATOM 0 H ALA A 103 -9.422 5.601 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.231 3.111 -1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.877 2.440 -1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.428 3.591 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.384 4.147 -1.835 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.714 4.587 0.903 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.404 4.488 2.324 1.00 0.00 C ATOM 1134 C GLN A 104 -9.671 4.268 3.144 1.00 0.00 C ATOM 1135 O GLN A 104 -9.761 3.320 3.923 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.686 5.751 2.801 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.431 5.777 4.299 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.362 7.186 4.855 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -8.116 7.547 5.759 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.454 7.991 4.316 1.00 0.00 N ATOM 0 H GLN A 104 -8.580 5.517 0.506 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.747 3.630 2.467 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.734 5.837 2.277 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.281 6.622 2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -8.223 5.228 4.808 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.496 5.260 4.514 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.850 7.650 3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.361 8.950 4.649 1.00 0.00 H new ATOM 1149 N SER A 105 -10.648 5.151 2.962 1.00 0.00 N ATOM 1150 CA SER A 105 -11.909 5.056 3.688 1.00 0.00 C ATOM 1151 C SER A 105 -12.825 4.015 3.052 1.00 0.00 C ATOM 1152 O SER A 105 -13.883 3.691 3.591 1.00 0.00 O ATOM 1153 CB SER A 105 -12.608 6.416 3.718 1.00 0.00 C ATOM 1154 OG SER A 105 -13.549 6.483 4.776 1.00 0.00 O ATOM 0 H SER A 105 -10.590 5.940 2.318 1.00 0.00 H new ATOM 0 HA SER A 105 -11.689 4.746 4.709 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.867 7.207 3.836 1.00 0.00 H new ATOM 0 HB3 SER A 105 -13.112 6.590 2.767 1.00 0.00 H new ATOM 0 HG SER A 105 -14.048 5.641 4.823 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.409 3.494 1.902 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.190 2.488 1.193 1.00 0.00 C ATOM 1162 C ALA A 106 -12.653 1.086 1.461 1.00 0.00 C ATOM 1163 O ALA A 106 -13.357 0.093 1.273 1.00 0.00 O ATOM 1164 CB ALA A 106 -13.192 2.778 -0.301 1.00 0.00 C ATOM 0 H ALA A 106 -11.536 3.752 1.442 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.215 2.533 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.779 2.019 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.630 3.760 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.169 2.763 -0.676 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.401 1.012 1.899 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.768 -0.270 2.192 1.00 0.00 C ATOM 1172 C LEU A 107 -10.581 -0.453 3.695 1.00 0.00 C ATOM 1173 O LEU A 107 -10.933 -1.493 4.252 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.416 -0.367 1.483 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.465 -0.493 -0.041 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.074 -0.340 -0.634 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.076 -1.826 -0.446 1.00 0.00 C ATOM 0 H LEU A 107 -10.804 1.824 2.059 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.421 -1.062 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.831 0.517 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.880 -1.228 1.882 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.094 0.306 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.129 -0.433 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.673 0.639 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.421 -1.117 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.103 -1.899 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.473 -2.640 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.090 -1.896 -0.052 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.026 0.564 4.346 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.794 0.516 5.785 1.00 0.00 C ATOM 1191 C HIS A 108 -10.991 -0.096 6.508 1.00 0.00 C ATOM 1192 O HIS A 108 -12.049 0.524 6.610 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.521 1.920 6.326 1.00 0.00 C ATOM 1194 CG HIS A 108 -8.970 1.928 7.719 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.667 1.587 8.015 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.553 2.240 8.900 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.473 1.688 9.318 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.603 2.083 9.878 1.00 0.00 N ATOM 0 H HIS A 108 -9.728 1.432 3.900 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.922 -0.112 5.967 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.819 2.426 5.663 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.447 2.494 6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.576 2.554 9.046 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.548 1.483 9.837 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.746 2.245 10.875 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.814 -1.316 7.006 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.881 -2.011 7.717 1.00 0.00 C ATOM 1208 C GLU A 109 -13.143 -2.089 6.863 1.00 0.00 C ATOM 1209 O GLU A 109 -14.254 -1.906 7.362 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.188 -1.304 9.039 1.00 0.00 C ATOM 1211 CG GLU A 109 -10.966 -1.102 9.919 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.308 -1.088 11.396 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -11.858 -0.072 11.869 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -11.025 -2.094 12.080 1.00 0.00 O ATOM 0 H GLU A 109 -9.944 -1.843 6.930 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.542 -3.026 7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.637 -0.334 8.827 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.929 -1.885 9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.247 -1.897 9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.482 -0.162 9.653 1.00 0.00 H new ATOM 1221 N GLN A 110 -12.964 -2.360 5.575 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.088 -2.461 4.652 1.00 0.00 C ATOM 1223 C GLN A 110 -13.989 -3.728 3.809 1.00 0.00 C ATOM 1224 O GLN A 110 -14.974 -4.442 3.623 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.140 -1.232 3.743 1.00 0.00 C ATOM 1226 CG GLN A 110 -15.546 -0.866 3.294 1.00 0.00 C ATOM 1227 CD GLN A 110 -15.663 0.583 2.865 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -16.161 0.883 1.780 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -15.204 1.492 3.717 1.00 0.00 N ATOM 0 H GLN A 110 -12.051 -2.514 5.146 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.005 -2.509 5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.703 -0.383 4.269 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.523 -1.415 2.863 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.838 -1.511 2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.245 -1.057 4.108 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.799 1.199 4.606 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.257 2.483 3.483 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.792 -4.001 3.299 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.563 -5.182 2.476 1.00 0.00 C ATOM 1240 C LYS A 111 -11.917 -6.297 3.292 1.00 0.00 C ATOM 1241 O LYS A 111 -11.564 -6.105 4.456 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.674 -4.831 1.280 1.00 0.00 C ATOM 1243 CG LYS A 111 -12.445 -4.308 0.081 1.00 0.00 C ATOM 1244 CD LYS A 111 -12.844 -5.432 -0.859 1.00 0.00 C ATOM 1245 CE LYS A 111 -11.785 -5.671 -1.924 1.00 0.00 C ATOM 1246 NZ LYS A 111 -11.828 -4.635 -2.992 1.00 0.00 N ATOM 0 H LYS A 111 -11.966 -3.420 3.442 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.529 -5.534 2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.945 -4.081 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.113 -5.717 0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.338 -3.784 0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.835 -3.582 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.000 -6.347 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.793 -5.189 -1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.798 -5.674 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.932 -6.656 -2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.081 -5.080 -3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.539 -3.916 -2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.895 -4.184 -3.076 1.00 0.00 H new ATOM 1260 N THR A 112 -11.765 -7.465 2.675 1.00 0.00 N ATOM 1261 CA THR A 112 -11.162 -8.610 3.344 1.00 0.00 C ATOM 1262 C THR A 112 -10.492 -9.543 2.341 1.00 0.00 C ATOM 1263 O THR A 112 -11.165 -10.231 1.573 1.00 0.00 O ATOM 1264 CB THR A 112 -12.207 -9.405 4.149 1.00 0.00 C ATOM 1265 OG1 THR A 112 -12.986 -8.514 4.954 1.00 0.00 O ATOM 1266 CG2 THR A 112 -11.534 -10.441 5.036 1.00 0.00 C ATOM 0 H THR A 112 -12.052 -7.642 1.712 1.00 0.00 H new ATOM 0 HA THR A 112 -10.410 -8.216 4.028 1.00 0.00 H new ATOM 0 HB THR A 112 -12.859 -9.922 3.445 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.649 -9.027 5.462 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.292 -10.990 5.595 1.00 0.00 H new ATOM 0 HG22 THR A 112 -10.966 -11.136 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.861 -9.941 5.733 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.164 -9.563 2.354 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.403 -10.413 1.445 1.00 0.00 C ATOM 1276 C LEU A 113 -8.640 -11.888 1.753 1.00 0.00 C ATOM 1277 O LEU A 113 -9.032 -12.262 2.858 1.00 0.00 O ATOM 1278 CB LEU A 113 -6.910 -10.093 1.546 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.435 -8.860 0.777 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.055 -8.432 1.253 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.423 -9.137 -0.720 1.00 0.00 C ATOM 0 H LEU A 113 -8.592 -9.001 2.984 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.743 -10.213 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.658 -9.960 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.349 -10.957 1.190 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.132 -8.044 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.734 -7.553 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.095 -8.192 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.346 -9.244 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.082 -8.249 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.749 -9.967 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.429 -9.394 -1.051 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.394 -12.748 0.753 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.571 -14.196 0.893 1.00 0.00 C ATOM 1295 C PRO A 114 -7.531 -14.821 1.817 1.00 0.00 C ATOM 1296 O PRO A 114 -6.337 -14.807 1.522 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.398 -14.715 -0.536 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.552 -13.691 -1.211 1.00 0.00 C ATOM 1299 CD PRO A 114 -7.924 -12.372 -0.591 1.00 0.00 C ATOM 0 HA PRO A 114 -9.534 -14.447 1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.919 -15.694 -0.546 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.360 -14.826 -1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.493 -13.904 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.733 -13.682 -2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.071 -11.695 -0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.702 -11.865 -1.162 1.00 0.00 H new ATOM 1307 N GLY A 115 -7.993 -15.369 2.936 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.089 -15.992 3.886 1.00 0.00 C ATOM 1309 C GLY A 115 -6.992 -15.219 5.186 1.00 0.00 C ATOM 1310 O GLY A 115 -6.498 -15.736 6.188 1.00 0.00 O ATOM 0 H GLY A 115 -8.977 -15.393 3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.429 -17.007 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.098 -16.073 3.440 1.00 0.00 H new ATOM 1314 N MET A 116 -7.463 -13.976 5.171 1.00 0.00 N ATOM 1315 CA MET A 116 -7.426 -13.131 6.359 1.00 0.00 C ATOM 1316 C MET A 116 -8.819 -12.981 6.962 1.00 0.00 C ATOM 1317 O MET A 116 -9.725 -12.441 6.328 1.00 0.00 O ATOM 1318 CB MET A 116 -6.856 -11.754 6.014 1.00 0.00 C ATOM 1319 CG MET A 116 -5.367 -11.773 5.707 1.00 0.00 C ATOM 1320 SD MET A 116 -4.370 -12.240 7.134 1.00 0.00 S ATOM 1321 CE MET A 116 -3.066 -11.015 7.053 1.00 0.00 C ATOM 0 H MET A 116 -7.874 -13.532 4.350 1.00 0.00 H new ATOM 0 HA MET A 116 -6.780 -13.609 7.095 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.391 -11.353 5.153 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.038 -11.075 6.847 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.177 -12.471 4.892 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.059 -10.787 5.360 1.00 0.00 H new ATOM 0 HE1 MET A 116 -2.367 -11.173 7.874 1.00 0.00 H new ATOM 0 HE2 MET A 116 -2.538 -11.108 6.104 1.00 0.00 H new ATOM 0 HE3 MET A 116 -3.498 -10.018 7.132 1.00 0.00 H new ATOM 1331 N ASN A 117 -8.983 -13.462 8.190 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.266 -13.381 8.878 1.00 0.00 C ATOM 1333 C ASN A 117 -10.676 -11.928 9.096 1.00 0.00 C ATOM 1334 O ASN A 117 -11.859 -11.590 9.034 1.00 0.00 O ATOM 1335 CB ASN A 117 -10.194 -14.109 10.222 1.00 0.00 C ATOM 1336 CG ASN A 117 -11.457 -13.932 11.044 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -11.921 -12.812 11.256 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -12.018 -15.041 11.511 1.00 0.00 N ATOM 0 H ASN A 117 -8.243 -13.912 8.729 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.017 -13.862 8.251 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -10.023 -15.171 10.048 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -9.340 -13.737 10.788 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -12.869 -14.985 12.071 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -11.598 -15.949 11.310 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.691 -11.073 9.350 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.950 -9.656 9.577 1.00 0.00 C ATOM 1347 C ARG A 118 -9.871 -8.872 8.270 1.00 0.00 C ATOM 1348 O ARG A 118 -9.263 -9.308 7.292 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.949 -9.088 10.585 1.00 0.00 C ATOM 1350 CG ARG A 118 -9.362 -9.291 12.034 1.00 0.00 C ATOM 1351 CD ARG A 118 -8.315 -8.747 12.993 1.00 0.00 C ATOM 1352 NE ARG A 118 -7.048 -9.463 12.884 1.00 0.00 N ATOM 1353 CZ ARG A 118 -6.103 -9.433 13.818 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -6.283 -8.726 14.924 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -4.976 -10.112 13.645 1.00 0.00 N ATOM 0 H ARG A 118 -8.707 -11.336 9.404 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.958 -9.557 9.980 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.978 -9.557 10.424 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.823 -8.022 10.398 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -10.315 -8.795 12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -9.515 -10.353 12.225 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.152 -7.689 12.789 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.686 -8.821 14.015 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.878 -10.017 12.045 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -7.148 -8.203 15.060 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -5.556 -8.704 15.639 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -4.835 -10.657 12.795 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.251 -10.088 14.362 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.501 -7.688 8.251 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.516 -6.819 7.070 1.00 0.00 C ATOM 1371 C PRO A 119 -9.150 -6.208 6.782 1.00 0.00 C ATOM 1372 O PRO A 119 -8.197 -6.410 7.536 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.522 -5.728 7.446 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.503 -5.693 8.936 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.245 -7.106 9.380 1.00 0.00 C ATOM 0 HA PRO A 119 -10.778 -7.366 6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.237 -4.764 7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.518 -5.960 7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.726 -5.021 9.301 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.451 -5.327 9.330 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.665 -7.138 10.302 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.174 -7.644 9.569 1.00 0.00 H new ATOM 1383 N ILE A 120 -9.060 -5.459 5.688 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.810 -4.817 5.302 1.00 0.00 C ATOM 1385 C ILE A 120 -7.678 -3.440 5.943 1.00 0.00 C ATOM 1386 O ILE A 120 -8.573 -2.603 5.826 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.700 -4.672 3.773 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.621 -3.649 3.412 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -9.041 -4.266 3.182 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.423 -3.479 1.922 1.00 0.00 C ATOM 0 H ILE A 120 -9.838 -5.282 5.053 1.00 0.00 H new ATOM 0 HA ILE A 120 -7.003 -5.459 5.657 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.416 -5.636 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.885 -2.685 3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.677 -3.954 3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.947 -4.167 2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.786 -5.027 3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.352 -3.312 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.644 -2.739 1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -6.128 -4.432 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.355 -3.143 1.467 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.557 -3.212 6.620 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.309 -1.935 7.279 1.00 0.00 C ATOM 1404 C GLN A 121 -5.417 -1.045 6.420 1.00 0.00 C ATOM 1405 O GLN A 121 -4.295 -1.418 6.077 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.660 -2.160 8.646 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.585 -2.819 9.657 1.00 0.00 C ATOM 1408 CD GLN A 121 -5.862 -3.244 10.919 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -5.776 -4.433 11.228 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -5.336 -2.273 11.656 1.00 0.00 N ATOM 0 H GLN A 121 -5.807 -3.895 6.726 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.267 -1.434 7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.772 -2.780 8.520 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.326 -1.201 9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.385 -2.126 9.917 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -7.054 -3.691 9.200 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -5.431 -1.301 11.362 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -4.837 -2.499 12.516 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.923 0.135 6.075 1.00 0.00 N ATOM 1420 CA VAL A 122 -5.172 1.080 5.257 1.00 0.00 C ATOM 1421 C VAL A 122 -5.217 2.481 5.855 1.00 0.00 C ATOM 1422 O VAL A 122 -6.292 3.033 6.093 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.716 1.130 3.817 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.783 1.933 2.922 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.911 -0.276 3.271 1.00 0.00 C ATOM 0 H VAL A 122 -6.850 0.459 6.349 1.00 0.00 H new ATOM 0 HA VAL A 122 -4.140 0.731 5.236 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.686 1.627 3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -5.183 1.958 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.699 2.950 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.798 1.467 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -6.296 -0.221 2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.956 -0.802 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.621 -0.815 3.898 1.00 0.00 H new ATOM 1435 N LYS A 123 -4.042 3.054 6.096 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.945 4.393 6.665 1.00 0.00 C ATOM 1437 C LYS A 123 -2.887 5.217 5.938 1.00 0.00 C ATOM 1438 O LYS A 123 -1.922 4.687 5.388 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.610 4.312 8.156 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.533 3.292 8.483 1.00 0.00 C ATOM 1441 CD LYS A 123 -3.114 1.895 8.625 1.00 0.00 C ATOM 1442 CE LYS A 123 -3.527 1.606 10.060 1.00 0.00 C ATOM 1443 NZ LYS A 123 -2.350 1.523 10.969 1.00 0.00 N ATOM 0 H LYS A 123 -3.143 2.611 5.906 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.910 4.885 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.285 5.294 8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.515 4.063 8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.777 3.295 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -2.032 3.575 9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -3.978 1.791 7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -2.378 1.159 8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -4.201 2.388 10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -4.081 0.668 10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -2.588 0.935 11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -1.548 1.098 10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -2.090 2.478 11.289 1.00 0.00 H new ATOM 1457 N PRO A 124 -3.070 6.546 5.936 1.00 0.00 N ATOM 1458 CA PRO A 124 -2.140 7.472 5.283 1.00 0.00 C ATOM 1459 C PRO A 124 -0.802 7.558 6.009 1.00 0.00 C ATOM 1460 O PRO A 124 -0.611 8.408 6.879 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.872 8.815 5.349 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.784 8.692 6.519 1.00 0.00 C ATOM 1463 CD PRO A 124 -4.198 7.247 6.572 1.00 0.00 C ATOM 0 HA PRO A 124 -1.893 7.155 4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -2.173 9.641 5.477 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.428 9.008 4.432 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -3.280 8.987 7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.651 9.343 6.408 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.354 6.911 7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -5.131 7.076 6.035 1.00 0.00 H new ATOM 1471 N ALA A 125 0.121 6.673 5.646 1.00 0.00 N ATOM 1472 CA ALA A 125 1.442 6.652 6.262 1.00 0.00 C ATOM 1473 C ALA A 125 2.012 8.061 6.389 1.00 0.00 C ATOM 1474 O ALA A 125 1.858 8.886 5.489 1.00 0.00 O ATOM 1475 CB ALA A 125 2.385 5.770 5.457 1.00 0.00 C ATOM 0 H ALA A 125 -0.022 5.962 4.929 1.00 0.00 H new ATOM 0 HA ALA A 125 1.341 6.238 7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.368 5.763 5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 125 1.992 4.754 5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.471 6.160 4.443 1.00 0.00 H new