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= -1.85 K(o=-1.9,f=-2.7!) USER MOD Set 1.2: A 116 MET CE :methyl 179:sc= -0.0662 (180deg=-0.0386) USER MOD Single : A 43 HIS : no HD1:sc= -0.893 K(o=-0.89,f=-0.0046) USER MOD Single : A 47 LYS NZ :NH3+ -132:sc= -0.495 (180deg=-1.69!) USER MOD Single : A 60 GLN : amide:sc= -0.0272 X(o=-0.027,f=-0.018) 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 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= -0.615 K(o=-0.62,f=-3.2) USER MOD Single : A 87 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.345) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.0728 USER MOD Single : A 93 THR OG1 : rot 143:sc= 0.00218 USER MOD Single : A 94 TYR OH : rot 10:sc= 1.08 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0447 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= -0.431 X(o=-0.43,f=0) USER MOD Single : A 105 SER OG : rot -44:sc= 0.0408 USER MOD Single : A 108 HIS : no HD1:sc= -0.086 K(o=-0.086,f=-4.9!) USER MOD Single : A 110 GLN : amide:sc= -2.46 K(o=-2.5,f=-1.3) 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= -0.179 X(o=-0.18,f=0) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ -108:sc= 0.0148 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 42 1.059 13.740 -7.118 1.00 0.00 N ATOM 136 CA ASP A 42 0.543 15.056 -6.759 1.00 0.00 C ATOM 137 C ASP A 42 1.430 15.721 -5.711 1.00 0.00 C ATOM 138 O ASP A 42 2.035 15.047 -4.877 1.00 0.00 O ATOM 139 CB ASP A 42 -0.889 14.938 -6.232 1.00 0.00 C ATOM 140 CG ASP A 42 -1.918 14.951 -7.345 1.00 0.00 C ATOM 141 OD1 ASP A 42 -1.735 14.207 -8.331 1.00 0.00 O ATOM 142 OD2 ASP A 42 -2.907 15.703 -7.229 1.00 0.00 O ATOM 0 HA ASP A 42 0.543 15.676 -7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.988 14.015 -5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.090 15.761 -5.546 1.00 0.00 H new ATOM 147 N HIS A 43 1.505 17.047 -5.761 1.00 0.00 N ATOM 148 CA HIS A 43 2.319 17.803 -4.817 1.00 0.00 C ATOM 149 C HIS A 43 1.923 17.483 -3.379 1.00 0.00 C ATOM 150 O HIS A 43 2.778 17.354 -2.503 1.00 0.00 O ATOM 151 CB HIS A 43 2.177 19.303 -5.076 1.00 0.00 C ATOM 152 CG HIS A 43 0.755 19.758 -5.197 1.00 0.00 C ATOM 153 ND1 HIS A 43 0.065 20.354 -4.163 1.00 0.00 N ATOM 154 CD2 HIS A 43 -0.106 19.703 -6.240 1.00 0.00 C ATOM 155 CE1 HIS A 43 -1.160 20.644 -4.563 1.00 0.00 C ATOM 156 NE2 HIS A 43 -1.289 20.259 -5.820 1.00 0.00 N ATOM 0 H HIS A 43 1.012 17.620 -6.446 1.00 0.00 H new ATOM 0 HA HIS A 43 3.360 17.514 -4.961 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.657 19.850 -4.265 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.710 19.557 -5.992 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.099 19.297 -7.220 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.925 21.115 -3.964 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.131 20.359 -6.387 1.00 0.00 H new ATOM 165 N ASP A 44 0.621 17.357 -3.144 1.00 0.00 N ATOM 166 CA ASP A 44 0.111 17.051 -1.812 1.00 0.00 C ATOM 167 C ASP A 44 -0.407 15.618 -1.744 1.00 0.00 C ATOM 168 O ASP A 44 -1.395 15.336 -1.067 1.00 0.00 O ATOM 169 CB ASP A 44 -1.003 18.028 -1.433 1.00 0.00 C ATOM 170 CG ASP A 44 -1.529 17.791 -0.031 1.00 0.00 C ATOM 171 OD1 ASP A 44 -0.723 17.428 0.851 1.00 0.00 O ATOM 172 OD2 ASP A 44 -2.747 17.966 0.183 1.00 0.00 O ATOM 0 H ASP A 44 -0.100 17.462 -3.858 1.00 0.00 H new ATOM 0 HA ASP A 44 0.932 17.155 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.629 19.049 -1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.822 17.935 -2.146 1.00 0.00 H new ATOM 177 N ALA A 45 0.266 14.717 -2.452 1.00 0.00 N ATOM 178 CA ALA A 45 -0.126 13.313 -2.471 1.00 0.00 C ATOM 179 C ALA A 45 0.049 12.675 -1.097 1.00 0.00 C ATOM 180 O ALA A 45 0.592 13.293 -0.181 1.00 0.00 O ATOM 181 CB ALA A 45 0.681 12.554 -3.514 1.00 0.00 C ATOM 0 H ALA A 45 1.085 14.934 -3.020 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.182 13.260 -2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.378 11.507 -3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.502 12.987 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.742 12.624 -3.275 1.00 0.00 H new ATOM 187 N ILE A 46 -0.415 11.438 -0.961 1.00 0.00 N ATOM 188 CA ILE A 46 -0.309 10.717 0.301 1.00 0.00 C ATOM 189 C ILE A 46 0.151 9.280 0.077 1.00 0.00 C ATOM 190 O ILE A 46 -0.147 8.675 -0.953 1.00 0.00 O ATOM 191 CB ILE A 46 -1.651 10.703 1.056 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.282 12.097 1.044 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.451 10.219 2.484 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.745 12.102 1.429 1.00 0.00 C ATOM 0 H ILE A 46 -0.868 10.914 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 46 0.432 11.243 0.903 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.328 10.014 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.732 12.742 1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.175 12.527 0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.409 10.215 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.040 9.209 2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.760 10.885 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.126 13.123 1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.308 11.484 0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.857 11.703 2.437 1.00 0.00 H new ATOM 206 N LYS A 47 0.876 8.738 1.050 1.00 0.00 N ATOM 207 CA LYS A 47 1.374 7.371 0.962 1.00 0.00 C ATOM 208 C LYS A 47 0.572 6.440 1.866 1.00 0.00 C ATOM 209 O LYS A 47 0.724 6.461 3.088 1.00 0.00 O ATOM 210 CB LYS A 47 2.855 7.320 1.346 1.00 0.00 C ATOM 211 CG LYS A 47 3.476 5.943 1.195 1.00 0.00 C ATOM 212 CD LYS A 47 4.992 6.003 1.271 1.00 0.00 C ATOM 213 CE LYS A 47 5.481 5.937 2.710 1.00 0.00 C ATOM 214 NZ LYS A 47 5.289 7.232 3.420 1.00 0.00 N ATOM 0 H LYS A 47 1.132 9.225 1.909 1.00 0.00 H new ATOM 0 HA LYS A 47 1.260 7.035 -0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.407 8.028 0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.965 7.647 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.098 5.285 1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.176 5.510 0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.419 5.177 0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.344 6.925 0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.946 5.149 3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.537 5.669 2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.167 7.491 3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.048 7.973 2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.518 7.138 4.112 1.00 0.00 H new ATOM 228 N LEU A 48 -0.281 5.623 1.258 1.00 0.00 N ATOM 229 CA LEU A 48 -1.107 4.683 2.008 1.00 0.00 C ATOM 230 C LEU A 48 -0.307 3.442 2.392 1.00 0.00 C ATOM 231 O LEU A 48 0.456 2.909 1.586 1.00 0.00 O ATOM 232 CB LEU A 48 -2.331 4.280 1.185 1.00 0.00 C ATOM 233 CG LEU A 48 -3.407 5.354 1.012 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.576 4.812 0.204 1.00 0.00 C ATOM 235 CD2 LEU A 48 -3.880 5.858 2.367 1.00 0.00 C ATOM 0 H LEU A 48 -0.419 5.592 0.248 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.438 5.177 2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.993 3.970 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.788 3.408 1.653 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.973 6.192 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.332 5.589 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.225 4.501 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.010 3.956 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.645 6.621 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.297 5.029 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.038 6.286 2.910 1.00 0.00 H new ATOM 247 N PHE A 49 -0.489 2.986 3.627 1.00 0.00 N ATOM 248 CA PHE A 49 0.214 1.806 4.117 1.00 0.00 C ATOM 249 C PHE A 49 -0.770 0.704 4.496 1.00 0.00 C ATOM 250 O PHE A 49 -1.698 0.925 5.274 1.00 0.00 O ATOM 251 CB PHE A 49 1.081 2.169 5.325 1.00 0.00 C ATOM 252 CG PHE A 49 1.477 0.982 6.156 1.00 0.00 C ATOM 253 CD1 PHE A 49 0.677 0.556 7.204 1.00 0.00 C ATOM 254 CD2 PHE A 49 2.650 0.294 5.890 1.00 0.00 C ATOM 255 CE1 PHE A 49 1.038 -0.536 7.971 1.00 0.00 C ATOM 256 CE2 PHE A 49 3.016 -0.799 6.653 1.00 0.00 C ATOM 257 CZ PHE A 49 2.210 -1.213 7.696 1.00 0.00 C ATOM 0 H PHE A 49 -1.117 3.415 4.306 1.00 0.00 H new ATOM 0 HA PHE A 49 0.854 1.436 3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.981 2.676 4.977 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.539 2.877 5.952 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.239 1.083 7.424 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.285 0.615 5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.405 -0.859 8.784 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.931 -1.329 6.434 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.496 -2.065 8.295 1.00 0.00 H new ATOM 267 N VAL A 50 -0.562 -0.485 3.939 1.00 0.00 N ATOM 268 CA VAL A 50 -1.430 -1.623 4.217 1.00 0.00 C ATOM 269 C VAL A 50 -0.745 -2.623 5.142 1.00 0.00 C ATOM 270 O VAL A 50 0.413 -2.983 4.935 1.00 0.00 O ATOM 271 CB VAL A 50 -1.847 -2.341 2.921 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.755 -3.521 3.232 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.528 -1.370 1.969 1.00 0.00 C ATOM 0 H VAL A 50 0.201 -0.685 3.292 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.320 -1.230 4.707 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.950 -2.723 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.039 -4.016 2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.227 -4.227 3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.650 -3.167 3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.816 -1.895 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.417 -0.956 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.840 -0.562 1.720 1.00 0.00 H new ATOM 283 N GLY A 51 -1.469 -3.068 6.164 1.00 0.00 N ATOM 284 CA GLY A 51 -0.915 -4.023 7.106 1.00 0.00 C ATOM 285 C GLY A 51 -1.768 -5.270 7.237 1.00 0.00 C ATOM 286 O GLY A 51 -1.836 -5.872 8.308 1.00 0.00 O ATOM 0 H GLY A 51 -2.430 -2.784 6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.088 -4.305 6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.816 -3.550 8.083 1.00 0.00 H new ATOM 290 N GLN A 52 -2.421 -5.656 6.145 1.00 0.00 N ATOM 291 CA GLN A 52 -3.276 -6.837 6.145 1.00 0.00 C ATOM 292 C GLN A 52 -3.001 -7.708 4.923 1.00 0.00 C ATOM 293 O GLN A 52 -3.925 -8.239 4.307 1.00 0.00 O ATOM 294 CB GLN A 52 -4.749 -6.427 6.172 1.00 0.00 C ATOM 295 CG GLN A 52 -5.688 -7.558 6.559 1.00 0.00 C ATOM 296 CD GLN A 52 -5.755 -7.775 8.058 1.00 0.00 C ATOM 297 OE1 GLN A 52 -5.624 -6.832 8.839 1.00 0.00 O ATOM 298 NE2 GLN A 52 -5.961 -9.021 8.467 1.00 0.00 N ATOM 0 H GLN A 52 -2.374 -5.169 5.250 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.051 -7.417 7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.876 -5.604 6.875 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.031 -6.052 5.188 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.687 -7.340 6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.359 -8.479 6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.064 -9.772 7.784 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.016 -9.228 9.464 1.00 0.00 H new ATOM 307 N ILE A 53 -1.725 -7.849 4.579 1.00 0.00 N ATOM 308 CA ILE A 53 -1.329 -8.655 3.431 1.00 0.00 C ATOM 309 C ILE A 53 -0.701 -9.972 3.875 1.00 0.00 C ATOM 310 O ILE A 53 0.378 -10.005 4.468 1.00 0.00 O ATOM 311 CB ILE A 53 -0.333 -7.902 2.530 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.844 -6.489 2.237 1.00 0.00 C ATOM 313 CG2 ILE A 53 -0.106 -8.668 1.235 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.234 -5.544 1.756 1.00 0.00 C ATOM 0 H ILE A 53 -0.948 -7.416 5.079 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.236 -8.861 2.862 1.00 0.00 H new ATOM 0 HB ILE A 53 0.620 -7.822 3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.630 -6.545 1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.297 -6.081 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.600 -8.123 0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.297 -9.655 1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.052 -8.776 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.200 -4.562 1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.009 -5.458 2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.671 -5.929 0.835 1.00 0.00 H new ATOM 326 N PRO A 54 -1.389 -11.085 3.580 1.00 0.00 N ATOM 327 CA PRO A 54 -0.916 -12.426 3.937 1.00 0.00 C ATOM 328 C PRO A 54 0.304 -12.846 3.124 1.00 0.00 C ATOM 329 O PRO A 54 0.944 -12.019 2.475 1.00 0.00 O ATOM 330 CB PRO A 54 -2.112 -13.323 3.610 1.00 0.00 C ATOM 331 CG PRO A 54 -2.868 -12.579 2.563 1.00 0.00 C ATOM 332 CD PRO A 54 -2.681 -11.120 2.874 1.00 0.00 C ATOM 0 HA PRO A 54 -0.596 -12.482 4.978 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.788 -14.298 3.247 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.727 -13.500 4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.493 -12.817 1.568 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.924 -12.849 2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.660 -10.515 1.967 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.489 -10.735 3.496 1.00 0.00 H new ATOM 340 N ARG A 55 0.619 -14.137 3.162 1.00 0.00 N ATOM 341 CA ARG A 55 1.762 -14.666 2.429 1.00 0.00 C ATOM 342 C ARG A 55 1.308 -15.411 1.177 1.00 0.00 C ATOM 343 O ARG A 55 0.346 -16.178 1.213 1.00 0.00 O ATOM 344 CB ARG A 55 2.580 -15.601 3.323 1.00 0.00 C ATOM 345 CG ARG A 55 1.749 -16.320 4.373 1.00 0.00 C ATOM 346 CD ARG A 55 2.492 -17.516 4.947 1.00 0.00 C ATOM 347 NE ARG A 55 1.578 -18.554 5.416 1.00 0.00 N ATOM 348 CZ ARG A 55 1.953 -19.802 5.675 1.00 0.00 C ATOM 349 NH1 ARG A 55 3.218 -20.164 5.512 1.00 0.00 N ATOM 350 NH2 ARG A 55 1.062 -20.690 6.098 1.00 0.00 N ATOM 0 H ARG A 55 0.098 -14.835 3.693 1.00 0.00 H new ATOM 0 HA ARG A 55 2.387 -13.826 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.081 -16.341 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.359 -15.024 3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.496 -15.627 5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.810 -16.652 3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.153 -17.932 4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.123 -17.188 5.773 1.00 0.00 H new ATOM 0 HE ARG A 55 0.598 -18.307 5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.905 -19.484 5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.504 -21.123 5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.088 -20.415 6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.351 -21.648 6.296 1.00 0.00 H new ATOM 364 N GLY A 56 2.006 -15.178 0.070 1.00 0.00 N ATOM 365 CA GLY A 56 1.659 -15.834 -1.178 1.00 0.00 C ATOM 366 C GLY A 56 1.231 -14.851 -2.249 1.00 0.00 C ATOM 367 O GLY A 56 1.329 -15.140 -3.443 1.00 0.00 O ATOM 0 H GLY A 56 2.805 -14.547 0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.516 -16.406 -1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.853 -16.546 -0.999 1.00 0.00 H new ATOM 371 N LEU A 57 0.753 -13.686 -1.825 1.00 0.00 N ATOM 372 CA LEU A 57 0.307 -12.657 -2.757 1.00 0.00 C ATOM 373 C LEU A 57 1.360 -11.564 -2.908 1.00 0.00 C ATOM 374 O LEU A 57 2.198 -11.370 -2.026 1.00 0.00 O ATOM 375 CB LEU A 57 -1.013 -12.047 -2.281 1.00 0.00 C ATOM 376 CG LEU A 57 -2.145 -13.035 -1.998 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.356 -12.311 -1.429 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.520 -13.793 -3.263 1.00 0.00 C ATOM 0 H LEU A 57 0.664 -13.431 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 57 0.154 -13.125 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.820 -11.477 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.356 -11.339 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.797 -13.755 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.151 -13.030 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.079 -11.815 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.706 -11.569 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.327 -14.492 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.849 -13.087 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.653 -14.344 -3.628 1.00 0.00 H new ATOM 390 N ASP A 58 1.311 -10.852 -4.028 1.00 0.00 N ATOM 391 CA ASP A 58 2.259 -9.776 -4.292 1.00 0.00 C ATOM 392 C ASP A 58 1.541 -8.535 -4.814 1.00 0.00 C ATOM 393 O ASP A 58 0.315 -8.515 -4.919 1.00 0.00 O ATOM 394 CB ASP A 58 3.313 -10.233 -5.302 1.00 0.00 C ATOM 395 CG ASP A 58 4.008 -11.511 -4.875 1.00 0.00 C ATOM 396 OD1 ASP A 58 3.408 -12.594 -5.033 1.00 0.00 O ATOM 397 OD2 ASP A 58 5.153 -11.427 -4.383 1.00 0.00 O ATOM 0 H ASP A 58 0.625 -11.000 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 58 2.752 -9.521 -3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.840 -10.387 -6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.055 -9.445 -5.430 1.00 0.00 H new ATOM 402 N GLU A 59 2.313 -7.503 -5.138 1.00 0.00 N ATOM 403 CA GLU A 59 1.749 -6.258 -5.647 1.00 0.00 C ATOM 404 C GLU A 59 0.835 -6.522 -6.840 1.00 0.00 C ATOM 405 O GLU A 59 -0.107 -5.771 -7.091 1.00 0.00 O ATOM 406 CB GLU A 59 2.867 -5.294 -6.051 1.00 0.00 C ATOM 407 CG GLU A 59 3.845 -4.992 -4.928 1.00 0.00 C ATOM 408 CD GLU A 59 5.009 -5.963 -4.892 1.00 0.00 C ATOM 409 OE1 GLU A 59 4.922 -7.020 -5.552 1.00 0.00 O ATOM 410 OE2 GLU A 59 6.007 -5.666 -4.202 1.00 0.00 O ATOM 0 H GLU A 59 3.330 -7.504 -5.057 1.00 0.00 H new ATOM 0 HA GLU A 59 1.157 -5.805 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.414 -5.717 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.423 -4.360 -6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.226 -3.978 -5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.319 -5.026 -3.974 1.00 0.00 H new ATOM 417 N GLN A 60 1.121 -7.595 -7.571 1.00 0.00 N ATOM 418 CA GLN A 60 0.325 -7.957 -8.738 1.00 0.00 C ATOM 419 C GLN A 60 -1.085 -8.370 -8.329 1.00 0.00 C ATOM 420 O GLN A 60 -2.042 -8.172 -9.077 1.00 0.00 O ATOM 421 CB GLN A 60 0.999 -9.095 -9.507 1.00 0.00 C ATOM 422 CG GLN A 60 0.403 -9.334 -10.885 1.00 0.00 C ATOM 423 CD GLN A 60 0.785 -8.258 -11.882 1.00 0.00 C ATOM 424 OE1 GLN A 60 -0.070 -7.527 -12.382 1.00 0.00 O ATOM 425 NE2 GLN A 60 2.076 -8.154 -12.176 1.00 0.00 N ATOM 0 H GLN A 60 1.897 -8.228 -7.376 1.00 0.00 H new ATOM 0 HA GLN A 60 0.254 -7.082 -9.384 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.061 -8.872 -9.613 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.923 -10.012 -8.923 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.736 -10.303 -11.257 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.683 -9.379 -10.804 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.751 -8.781 -11.738 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.393 -7.447 -12.840 1.00 0.00 H new ATOM 434 N ASP A 61 -1.205 -8.945 -7.137 1.00 0.00 N ATOM 435 CA ASP A 61 -2.498 -9.385 -6.628 1.00 0.00 C ATOM 436 C ASP A 61 -3.186 -8.266 -5.852 1.00 0.00 C ATOM 437 O ASP A 61 -4.386 -8.331 -5.580 1.00 0.00 O ATOM 438 CB ASP A 61 -2.327 -10.613 -5.732 1.00 0.00 C ATOM 439 CG ASP A 61 -2.244 -11.902 -6.526 1.00 0.00 C ATOM 440 OD1 ASP A 61 -3.200 -12.201 -7.271 1.00 0.00 O ATOM 441 OD2 ASP A 61 -1.223 -12.611 -6.401 1.00 0.00 O ATOM 0 H ASP A 61 -0.422 -9.117 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.124 -9.651 -7.480 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.423 -10.499 -5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.164 -10.671 -5.037 1.00 0.00 H new ATOM 446 N LEU A 62 -2.420 -7.241 -5.498 1.00 0.00 N ATOM 447 CA LEU A 62 -2.955 -6.107 -4.752 1.00 0.00 C ATOM 448 C LEU A 62 -3.287 -4.948 -5.687 1.00 0.00 C ATOM 449 O LEU A 62 -4.165 -4.135 -5.398 1.00 0.00 O ATOM 450 CB LEU A 62 -1.952 -5.650 -3.691 1.00 0.00 C ATOM 451 CG LEU A 62 -1.652 -6.652 -2.576 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.469 -6.184 -1.742 1.00 0.00 C ATOM 453 CD2 LEU A 62 -2.878 -6.857 -1.698 1.00 0.00 C ATOM 0 H LEU A 62 -1.426 -7.171 -5.715 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.873 -6.428 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.015 -5.400 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.327 -4.733 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.393 -7.607 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.270 -6.910 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.411 -6.090 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.699 -5.217 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.646 -7.573 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.168 -5.906 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.700 -7.238 -2.304 1.00 0.00 H new ATOM 465 N LYS A 63 -2.580 -4.880 -6.810 1.00 0.00 N ATOM 466 CA LYS A 63 -2.801 -3.823 -7.790 1.00 0.00 C ATOM 467 C LYS A 63 -4.264 -3.777 -8.221 1.00 0.00 C ATOM 468 O LYS A 63 -4.878 -2.714 -8.303 1.00 0.00 O ATOM 469 CB LYS A 63 -1.905 -4.037 -9.012 1.00 0.00 C ATOM 470 CG LYS A 63 -1.467 -2.745 -9.679 1.00 0.00 C ATOM 471 CD LYS A 63 -0.467 -3.004 -10.793 1.00 0.00 C ATOM 472 CE LYS A 63 0.919 -3.297 -10.240 1.00 0.00 C ATOM 473 NZ LYS A 63 1.878 -3.673 -11.317 1.00 0.00 N ATOM 0 H LYS A 63 -1.849 -5.544 -7.064 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.548 -2.871 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.021 -4.598 -8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.438 -4.649 -9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.338 -2.230 -10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.022 -2.083 -8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.804 -3.846 -11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.421 -2.137 -11.452 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.292 -2.420 -9.711 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.856 -4.105 -9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.811 -3.865 -10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.535 -4.525 -11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.958 -2.892 -11.999 1.00 0.00 H new ATOM 487 N PRO A 64 -4.836 -4.958 -8.501 1.00 0.00 N ATOM 488 CA PRO A 64 -6.234 -5.079 -8.925 1.00 0.00 C ATOM 489 C PRO A 64 -7.182 -4.283 -8.034 1.00 0.00 C ATOM 490 O PRO A 64 -7.945 -3.445 -8.515 1.00 0.00 O ATOM 491 CB PRO A 64 -6.514 -6.578 -8.800 1.00 0.00 C ATOM 492 CG PRO A 64 -5.182 -7.227 -8.953 1.00 0.00 C ATOM 493 CD PRO A 64 -4.163 -6.265 -8.423 1.00 0.00 C ATOM 0 HA PRO A 64 -6.391 -4.685 -9.929 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.963 -6.818 -7.836 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.210 -6.916 -9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.146 -8.168 -8.404 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.985 -7.460 -9.999 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.879 -6.508 -7.399 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.251 -6.281 -9.019 1.00 0.00 H new ATOM 501 N LEU A 65 -7.127 -4.550 -6.734 1.00 0.00 N ATOM 502 CA LEU A 65 -7.981 -3.858 -5.774 1.00 0.00 C ATOM 503 C LEU A 65 -7.681 -2.362 -5.758 1.00 0.00 C ATOM 504 O LEU A 65 -8.586 -1.536 -5.867 1.00 0.00 O ATOM 505 CB LEU A 65 -7.788 -4.444 -4.375 1.00 0.00 C ATOM 506 CG LEU A 65 -8.504 -5.765 -4.096 1.00 0.00 C ATOM 507 CD1 LEU A 65 -8.283 -6.199 -2.655 1.00 0.00 C ATOM 508 CD2 LEU A 65 -9.991 -5.639 -4.394 1.00 0.00 C ATOM 0 H LEU A 65 -6.500 -5.240 -6.320 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.018 -3.998 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.721 -4.590 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.127 -3.709 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.085 -6.528 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.800 -7.141 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.216 -6.331 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.674 -5.436 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.485 -6.589 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.424 -4.862 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.131 -5.375 -5.442 1.00 0.00 H new ATOM 520 N PHE A 66 -6.403 -2.022 -5.622 1.00 0.00 N ATOM 521 CA PHE A 66 -5.983 -0.626 -5.593 1.00 0.00 C ATOM 522 C PHE A 66 -6.319 0.071 -6.908 1.00 0.00 C ATOM 523 O PHE A 66 -6.472 1.291 -6.954 1.00 0.00 O ATOM 524 CB PHE A 66 -4.480 -0.529 -5.321 1.00 0.00 C ATOM 525 CG PHE A 66 -4.082 -1.041 -3.966 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.826 -0.717 -2.843 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.965 -1.846 -3.816 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.461 -1.186 -1.595 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.596 -2.319 -2.570 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.346 -1.989 -1.458 1.00 0.00 C ATOM 0 H PHE A 66 -5.641 -2.694 -5.530 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.524 -0.127 -4.789 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.943 -1.091 -6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.168 0.511 -5.413 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.700 -0.091 -2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.375 -2.107 -4.682 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.048 -0.924 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.722 -2.946 -2.466 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.061 -2.358 -0.484 1.00 0.00 H new ATOM 540 N GLU A 67 -6.432 -0.714 -7.975 1.00 0.00 N ATOM 541 CA GLU A 67 -6.748 -0.172 -9.291 1.00 0.00 C ATOM 542 C GLU A 67 -8.253 0.023 -9.452 1.00 0.00 C ATOM 543 O GLU A 67 -8.722 0.474 -10.496 1.00 0.00 O ATOM 544 CB GLU A 67 -6.223 -1.100 -10.389 1.00 0.00 C ATOM 545 CG GLU A 67 -4.799 -0.790 -10.818 1.00 0.00 C ATOM 546 CD GLU A 67 -4.515 -1.213 -12.247 1.00 0.00 C ATOM 547 OE1 GLU A 67 -5.316 -0.865 -13.139 1.00 0.00 O ATOM 548 OE2 GLU A 67 -3.492 -1.893 -12.471 1.00 0.00 O ATOM 0 H GLU A 67 -6.309 -1.726 -7.954 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.261 0.799 -9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.271 -2.130 -10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.879 -1.029 -11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.618 0.280 -10.717 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.103 -1.296 -10.148 1.00 0.00 H new ATOM 555 N GLU A 68 -9.003 -0.320 -8.409 1.00 0.00 N ATOM 556 CA GLU A 68 -10.455 -0.183 -8.435 1.00 0.00 C ATOM 557 C GLU A 68 -10.875 1.236 -8.063 1.00 0.00 C ATOM 558 O GLU A 68 -12.004 1.650 -8.327 1.00 0.00 O ATOM 559 CB GLU A 68 -11.101 -1.186 -7.477 1.00 0.00 C ATOM 560 CG GLU A 68 -12.617 -1.224 -7.567 1.00 0.00 C ATOM 561 CD GLU A 68 -13.111 -1.573 -8.957 1.00 0.00 C ATOM 562 OE1 GLU A 68 -13.189 -0.660 -9.805 1.00 0.00 O ATOM 563 OE2 GLU A 68 -13.419 -2.759 -9.197 1.00 0.00 O ATOM 0 H GLU A 68 -8.630 -0.694 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.796 -0.389 -9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.708 -2.181 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.812 -0.938 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.001 -1.955 -6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.019 -0.253 -7.276 1.00 0.00 H new ATOM 570 N PHE A 69 -9.958 1.976 -7.448 1.00 0.00 N ATOM 571 CA PHE A 69 -10.233 3.348 -7.038 1.00 0.00 C ATOM 572 C PHE A 69 -9.565 4.342 -7.983 1.00 0.00 C ATOM 573 O PHE A 69 -10.155 5.356 -8.352 1.00 0.00 O ATOM 574 CB PHE A 69 -9.745 3.581 -5.606 1.00 0.00 C ATOM 575 CG PHE A 69 -10.394 2.678 -4.597 1.00 0.00 C ATOM 576 CD1 PHE A 69 -11.690 2.916 -4.167 1.00 0.00 C ATOM 577 CD2 PHE A 69 -9.710 1.591 -4.079 1.00 0.00 C ATOM 578 CE1 PHE A 69 -12.289 2.087 -3.237 1.00 0.00 C ATOM 579 CE2 PHE A 69 -10.304 0.758 -3.149 1.00 0.00 C ATOM 580 CZ PHE A 69 -11.596 1.006 -2.729 1.00 0.00 C ATOM 0 H PHE A 69 -9.019 1.649 -7.223 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.311 3.504 -7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.665 3.436 -5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.936 4.618 -5.330 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.238 3.758 -4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.700 1.391 -4.406 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.298 2.285 -2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.759 -0.085 -2.752 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.064 0.356 -2.005 1.00 0.00 H new ATOM 590 N GLY A 70 -8.329 4.043 -8.370 1.00 0.00 N ATOM 591 CA GLY A 70 -7.600 4.920 -9.269 1.00 0.00 C ATOM 592 C GLY A 70 -6.292 4.313 -9.736 1.00 0.00 C ATOM 593 O GLY A 70 -5.991 3.159 -9.432 1.00 0.00 O ATOM 0 H GLY A 70 -7.819 3.209 -8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.222 5.146 -10.135 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.399 5.866 -8.766 1.00 0.00 H new ATOM 597 N ARG A 71 -5.513 5.092 -10.479 1.00 0.00 N ATOM 598 CA ARG A 71 -4.231 4.624 -10.993 1.00 0.00 C ATOM 599 C ARG A 71 -3.147 4.726 -9.924 1.00 0.00 C ATOM 600 O ARG A 71 -2.989 5.767 -9.284 1.00 0.00 O ATOM 601 CB ARG A 71 -3.825 5.433 -12.225 1.00 0.00 C ATOM 602 CG ARG A 71 -2.681 4.813 -13.012 1.00 0.00 C ATOM 603 CD ARG A 71 -2.520 5.471 -14.373 1.00 0.00 C ATOM 604 NE ARG A 71 -1.948 4.557 -15.358 1.00 0.00 N ATOM 605 CZ ARG A 71 -1.940 4.796 -16.665 1.00 0.00 C ATOM 606 NH1 ARG A 71 -2.468 5.915 -17.141 1.00 0.00 N ATOM 607 NH2 ARG A 71 -1.401 3.916 -17.499 1.00 0.00 N ATOM 0 H ARG A 71 -5.747 6.050 -10.739 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.342 3.577 -11.275 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.690 5.540 -12.880 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.537 6.436 -11.911 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.754 4.912 -12.447 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.863 3.746 -13.142 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.491 5.821 -14.724 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.880 6.348 -14.278 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.532 3.688 -15.024 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.882 6.595 -16.503 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.460 6.096 -18.145 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.992 3.055 -17.137 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.396 4.101 -18.502 1.00 0.00 H new ATOM 621 N ILE A 72 -2.404 3.641 -9.736 1.00 0.00 N ATOM 622 CA ILE A 72 -1.335 3.610 -8.745 1.00 0.00 C ATOM 623 C ILE A 72 -0.096 4.342 -9.249 1.00 0.00 C ATOM 624 O ILE A 72 0.070 4.547 -10.452 1.00 0.00 O ATOM 625 CB ILE A 72 -0.950 2.164 -8.378 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.184 1.385 -7.918 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.120 2.160 -7.297 1.00 0.00 C ATOM 628 CD1 ILE A 72 -2.064 -0.109 -8.118 1.00 0.00 C ATOM 0 H ILE A 72 -2.522 2.772 -10.257 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.714 4.114 -7.856 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.546 1.675 -9.264 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.360 1.589 -6.862 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.056 1.747 -8.462 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.382 1.132 -7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.005 2.682 -7.659 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.259 2.663 -6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.974 -0.597 -7.770 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.919 -0.324 -9.177 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.212 -0.485 -7.552 1.00 0.00 H new ATOM 640 N TYR A 73 0.772 4.732 -8.323 1.00 0.00 N ATOM 641 CA TYR A 73 1.996 5.442 -8.673 1.00 0.00 C ATOM 642 C TYR A 73 3.227 4.615 -8.314 1.00 0.00 C ATOM 643 O TYR A 73 4.217 4.608 -9.045 1.00 0.00 O ATOM 644 CB TYR A 73 2.049 6.793 -7.958 1.00 0.00 C ATOM 645 CG TYR A 73 3.268 7.616 -8.308 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.510 7.324 -7.756 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.179 8.686 -9.190 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.626 8.074 -8.072 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.290 9.440 -9.514 1.00 0.00 C ATOM 650 CZ TYR A 73 5.512 9.130 -8.952 1.00 0.00 C ATOM 651 OH TYR A 73 6.621 9.879 -9.270 1.00 0.00 O ATOM 0 H TYR A 73 0.651 4.568 -7.324 1.00 0.00 H new ATOM 0 HA TYR A 73 1.994 5.609 -9.750 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.153 7.362 -8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.031 6.626 -6.881 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.604 6.497 -7.068 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.224 8.933 -9.630 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.583 7.835 -7.632 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.203 10.267 -10.203 1.00 0.00 H new ATOM 0 HH TYR A 73 6.369 10.583 -9.903 1.00 0.00 H new ATOM 661 N GLU A 74 3.155 3.920 -7.183 1.00 0.00 N ATOM 662 CA GLU A 74 4.264 3.089 -6.727 1.00 0.00 C ATOM 663 C GLU A 74 3.803 2.112 -5.650 1.00 0.00 C ATOM 664 O GLU A 74 3.355 2.518 -4.576 1.00 0.00 O ATOM 665 CB GLU A 74 5.397 3.964 -6.187 1.00 0.00 C ATOM 666 CG GLU A 74 6.562 3.170 -5.621 1.00 0.00 C ATOM 667 CD GLU A 74 7.341 3.943 -4.574 1.00 0.00 C ATOM 668 OE1 GLU A 74 6.791 4.177 -3.478 1.00 0.00 O ATOM 669 OE2 GLU A 74 8.501 4.314 -4.852 1.00 0.00 O ATOM 0 H GLU A 74 2.342 3.916 -6.567 1.00 0.00 H new ATOM 0 HA GLU A 74 4.631 2.517 -7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.762 4.607 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.001 4.617 -5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.187 2.246 -5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.233 2.888 -6.432 1.00 0.00 H new ATOM 676 N LEU A 75 3.916 0.821 -5.943 1.00 0.00 N ATOM 677 CA LEU A 75 3.511 -0.216 -5.001 1.00 0.00 C ATOM 678 C LEU A 75 4.707 -1.064 -4.577 1.00 0.00 C ATOM 679 O LEU A 75 5.348 -1.711 -5.405 1.00 0.00 O ATOM 680 CB LEU A 75 2.435 -1.107 -5.624 1.00 0.00 C ATOM 681 CG LEU A 75 1.827 -2.168 -4.705 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.393 -1.547 -3.386 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.652 -2.853 -5.386 1.00 0.00 C ATOM 0 H LEU A 75 4.285 0.468 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 75 3.102 0.271 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.631 -0.469 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.864 -1.609 -6.491 1.00 0.00 H new ATOM 0 HG LEU A 75 2.588 -2.919 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.963 -2.317 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.257 -1.104 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.648 -0.775 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.232 -3.605 -4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.112 -2.113 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.993 -3.333 -6.303 1.00 0.00 H new ATOM 695 N THR A 76 5.000 -1.058 -3.280 1.00 0.00 N ATOM 696 CA THR A 76 6.117 -1.826 -2.746 1.00 0.00 C ATOM 697 C THR A 76 5.713 -2.578 -1.483 1.00 0.00 C ATOM 698 O THR A 76 5.039 -2.030 -0.611 1.00 0.00 O ATOM 699 CB THR A 76 7.321 -0.920 -2.427 1.00 0.00 C ATOM 700 OG1 THR A 76 7.995 -0.556 -3.637 1.00 0.00 O ATOM 701 CG2 THR A 76 8.293 -1.621 -1.490 1.00 0.00 C ATOM 0 H THR A 76 4.479 -0.529 -2.580 1.00 0.00 H new ATOM 0 HA THR A 76 6.405 -2.542 -3.516 1.00 0.00 H new ATOM 0 HB THR A 76 6.950 -0.021 -1.934 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.758 0.021 -3.425 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.135 -0.962 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.785 -1.870 -0.558 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.657 -2.535 -1.960 1.00 0.00 H new ATOM 709 N VAL A 77 6.130 -3.837 -1.390 1.00 0.00 N ATOM 710 CA VAL A 77 5.813 -4.664 -0.233 1.00 0.00 C ATOM 711 C VAL A 77 6.962 -4.672 0.769 1.00 0.00 C ATOM 712 O VAL A 77 8.130 -4.776 0.390 1.00 0.00 O ATOM 713 CB VAL A 77 5.499 -6.114 -0.648 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.196 -6.966 0.576 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.339 -6.147 -1.631 1.00 0.00 C ATOM 0 H VAL A 77 6.689 -4.306 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 77 4.930 -4.228 0.234 1.00 0.00 H new ATOM 0 HB VAL A 77 6.377 -6.530 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.977 -7.987 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.060 -6.968 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.334 -6.554 1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.131 -7.179 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.455 -5.713 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.599 -5.573 -2.520 1.00 0.00 H new ATOM 725 N LEU A 78 6.625 -4.561 2.049 1.00 0.00 N ATOM 726 CA LEU A 78 7.629 -4.555 3.107 1.00 0.00 C ATOM 727 C LEU A 78 7.912 -5.972 3.597 1.00 0.00 C ATOM 728 O LEU A 78 6.992 -6.733 3.895 1.00 0.00 O ATOM 729 CB LEU A 78 7.163 -3.684 4.275 1.00 0.00 C ATOM 730 CG LEU A 78 7.042 -2.187 3.989 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.108 -1.525 4.990 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.413 -1.526 4.019 1.00 0.00 C ATOM 0 H LEU A 78 5.664 -4.474 2.379 1.00 0.00 H new ATOM 0 HA LEU A 78 8.550 -4.140 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.192 -4.049 4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.858 -3.820 5.104 1.00 0.00 H new ATOM 0 HG LEU A 78 6.621 -2.061 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.035 -0.460 4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.119 -1.979 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.499 -1.661 5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.308 -0.461 3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.862 -1.663 5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.053 -1.980 3.262 1.00 0.00 H new ATOM 744 N LYS A 79 9.192 -6.319 3.679 1.00 0.00 N ATOM 745 CA LYS A 79 9.598 -7.643 4.135 1.00 0.00 C ATOM 746 C LYS A 79 10.799 -7.551 5.071 1.00 0.00 C ATOM 747 O LYS A 79 11.570 -6.592 5.015 1.00 0.00 O ATOM 748 CB LYS A 79 9.937 -8.536 2.939 1.00 0.00 C ATOM 749 CG LYS A 79 8.827 -8.615 1.906 1.00 0.00 C ATOM 750 CD LYS A 79 9.192 -9.552 0.766 1.00 0.00 C ATOM 751 CE LYS A 79 8.861 -10.998 1.106 1.00 0.00 C ATOM 752 NZ LYS A 79 9.360 -11.940 0.067 1.00 0.00 N ATOM 0 H LYS A 79 9.966 -5.701 3.435 1.00 0.00 H new ATOM 0 HA LYS A 79 8.765 -8.082 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.841 -8.160 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.160 -9.541 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.909 -8.960 2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.626 -7.620 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.655 -9.257 -0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.256 -9.463 0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.301 -11.254 2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.782 -11.109 1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.115 -12.914 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.921 -11.712 -0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.393 -11.853 -0.013 1.00 0.00 H new ATOM 766 N ASP A 80 10.954 -8.554 5.928 1.00 0.00 N ATOM 767 CA ASP A 80 12.063 -8.587 6.874 1.00 0.00 C ATOM 768 C ASP A 80 13.397 -8.416 6.154 1.00 0.00 C ATOM 769 O ASP A 80 13.443 -8.321 4.927 1.00 0.00 O ATOM 770 CB ASP A 80 12.056 -9.902 7.656 1.00 0.00 C ATOM 771 CG ASP A 80 11.231 -9.817 8.925 1.00 0.00 C ATOM 772 OD1 ASP A 80 10.690 -8.728 9.208 1.00 0.00 O ATOM 773 OD2 ASP A 80 11.128 -10.839 9.635 1.00 0.00 O ATOM 0 H ASP A 80 10.325 -9.355 5.987 1.00 0.00 H new ATOM 0 HA ASP A 80 11.938 -7.758 7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.661 -10.696 7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.080 -10.176 7.910 1.00 0.00 H new ATOM 778 N ARG A 81 14.479 -8.377 6.925 1.00 0.00 N ATOM 779 CA ARG A 81 15.813 -8.215 6.360 1.00 0.00 C ATOM 780 C ARG A 81 16.671 -9.448 6.630 1.00 0.00 C ATOM 781 O ARG A 81 17.385 -9.926 5.747 1.00 0.00 O ATOM 782 CB ARG A 81 16.490 -6.972 6.943 1.00 0.00 C ATOM 783 CG ARG A 81 16.771 -7.075 8.433 1.00 0.00 C ATOM 784 CD ARG A 81 17.484 -5.836 8.952 1.00 0.00 C ATOM 785 NE ARG A 81 17.384 -5.715 10.404 1.00 0.00 N ATOM 786 CZ ARG A 81 16.263 -5.394 11.039 1.00 0.00 C ATOM 787 NH1 ARG A 81 15.151 -5.163 10.354 1.00 0.00 N ATOM 788 NH2 ARG A 81 16.251 -5.303 12.363 1.00 0.00 N ATOM 0 H ARG A 81 14.458 -8.455 7.942 1.00 0.00 H new ATOM 0 HA ARG A 81 15.711 -8.093 5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.428 -6.799 6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.857 -6.104 6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.834 -7.210 8.973 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.381 -7.956 8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.534 -5.874 8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.057 -4.949 8.484 1.00 0.00 H new ATOM 0 HE ARG A 81 18.221 -5.886 10.961 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.155 -5.232 9.336 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.292 -4.917 10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.104 -5.480 12.894 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.389 -5.056 12.849 1.00 0.00 H new ATOM 802 N LEU A 82 16.596 -9.958 7.854 1.00 0.00 N ATOM 803 CA LEU A 82 17.366 -11.135 8.241 1.00 0.00 C ATOM 804 C LEU A 82 16.856 -12.379 7.521 1.00 0.00 C ATOM 805 O LEU A 82 17.640 -13.191 7.029 1.00 0.00 O ATOM 806 CB LEU A 82 17.293 -11.341 9.755 1.00 0.00 C ATOM 807 CG LEU A 82 17.891 -10.227 10.614 1.00 0.00 C ATOM 808 CD1 LEU A 82 16.837 -9.182 10.944 1.00 0.00 C ATOM 809 CD2 LEU A 82 18.493 -10.801 11.888 1.00 0.00 C ATOM 0 H LEU A 82 16.010 -9.575 8.596 1.00 0.00 H new ATOM 0 HA LEU A 82 18.404 -10.971 7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 82 16.247 -11.466 10.034 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.802 -12.274 9.999 1.00 0.00 H new ATOM 0 HG LEU A 82 18.686 -9.744 10.046 1.00 0.00 H new ATOM 0 HD11 LEU A 82 17.282 -8.397 11.556 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.453 -8.748 10.021 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.020 -9.650 11.492 1.00 0.00 H new ATOM 0 HD21 LEU A 82 18.914 -9.994 12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 82 17.717 -11.311 12.459 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.280 -11.510 11.631 1.00 0.00 H new ATOM 821 N THR A 83 15.536 -12.523 7.462 1.00 0.00 N ATOM 822 CA THR A 83 14.920 -13.668 6.802 1.00 0.00 C ATOM 823 C THR A 83 14.394 -13.289 5.422 1.00 0.00 C ATOM 824 O THR A 83 14.598 -14.013 4.449 1.00 0.00 O ATOM 825 CB THR A 83 13.764 -14.245 7.640 1.00 0.00 C ATOM 826 OG1 THR A 83 12.829 -13.210 7.963 1.00 0.00 O ATOM 827 CG2 THR A 83 14.287 -14.880 8.919 1.00 0.00 C ATOM 0 H THR A 83 14.872 -11.861 7.863 1.00 0.00 H new ATOM 0 HA THR A 83 15.695 -14.427 6.696 1.00 0.00 H new ATOM 0 HB THR A 83 13.265 -15.013 7.050 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.096 -13.585 8.495 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.452 -15.280 9.494 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.976 -15.687 8.669 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.808 -14.128 9.512 1.00 0.00 H new ATOM 835 N GLY A 84 13.714 -12.148 5.346 1.00 0.00 N ATOM 836 CA GLY A 84 13.169 -11.693 4.080 1.00 0.00 C ATOM 837 C GLY A 84 11.814 -12.303 3.780 1.00 0.00 C ATOM 838 O GLY A 84 11.439 -12.457 2.617 1.00 0.00 O ATOM 0 H GLY A 84 13.531 -11.532 6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.080 -10.607 4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.863 -11.944 3.278 1.00 0.00 H new ATOM 842 N LEU A 85 11.079 -12.653 4.829 1.00 0.00 N ATOM 843 CA LEU A 85 9.758 -13.251 4.672 1.00 0.00 C ATOM 844 C LEU A 85 8.664 -12.195 4.793 1.00 0.00 C ATOM 845 O LEU A 85 8.702 -11.346 5.684 1.00 0.00 O ATOM 846 CB LEU A 85 9.544 -14.345 5.720 1.00 0.00 C ATOM 847 CG LEU A 85 10.677 -15.361 5.870 1.00 0.00 C ATOM 848 CD1 LEU A 85 10.588 -16.065 7.215 1.00 0.00 C ATOM 849 CD2 LEU A 85 10.640 -16.372 4.733 1.00 0.00 C ATOM 0 H LEU A 85 11.375 -12.533 5.798 1.00 0.00 H new ATOM 0 HA LEU A 85 9.703 -13.693 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.380 -13.868 6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.630 -14.884 5.472 1.00 0.00 H new ATOM 0 HG LEU A 85 11.626 -14.828 5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.402 -16.784 7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.664 -15.330 8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.634 -16.586 7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.453 -17.087 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.687 -16.900 4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.754 -15.853 3.781 1.00 0.00 H new ATOM 861 N HIS A 86 7.688 -12.256 3.892 1.00 0.00 N ATOM 862 CA HIS A 86 6.581 -11.306 3.899 1.00 0.00 C ATOM 863 C HIS A 86 6.123 -11.017 5.326 1.00 0.00 C ATOM 864 O HIS A 86 5.391 -11.805 5.926 1.00 0.00 O ATOM 865 CB HIS A 86 5.412 -11.847 3.075 1.00 0.00 C ATOM 866 CG HIS A 86 4.518 -10.776 2.531 1.00 0.00 C ATOM 867 ND1 HIS A 86 3.992 -9.767 3.309 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.058 -10.560 1.276 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.245 -8.977 2.557 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.270 -9.437 1.319 1.00 0.00 N ATOM 0 H HIS A 86 7.641 -12.953 3.148 1.00 0.00 H new ATOM 0 HA HIS A 86 6.930 -10.375 3.452 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.804 -12.437 2.247 1.00 0.00 H new ATOM 0 HB3 HIS A 86 4.822 -12.521 3.696 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.271 -11.160 0.404 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.706 -8.105 2.897 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.783 -9.024 0.524 1.00 0.00 H new ATOM 879 N LYS A 87 6.558 -9.882 5.863 1.00 0.00 N ATOM 880 CA LYS A 87 6.192 -9.488 7.218 1.00 0.00 C ATOM 881 C LYS A 87 4.678 -9.373 7.362 1.00 0.00 C ATOM 882 O LYS A 87 4.101 -9.838 8.345 1.00 0.00 O ATOM 883 CB LYS A 87 6.852 -8.155 7.579 1.00 0.00 C ATOM 884 CG LYS A 87 8.368 -8.221 7.630 1.00 0.00 C ATOM 885 CD LYS A 87 8.971 -6.891 8.053 1.00 0.00 C ATOM 886 CE LYS A 87 8.553 -5.768 7.117 1.00 0.00 C ATOM 887 NZ LYS A 87 9.414 -4.563 7.277 1.00 0.00 N ATOM 0 H LYS A 87 7.164 -9.219 5.380 1.00 0.00 H new ATOM 0 HA LYS A 87 6.546 -10.259 7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.554 -7.402 6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.478 -7.825 8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.676 -8.999 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.754 -8.501 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.657 -6.655 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.058 -6.970 8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.605 -6.117 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.514 -5.501 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.871 -3.712 7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.731 -4.491 8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.242 -4.643 6.653 1.00 0.00 H new ATOM 901 N GLY A 88 4.039 -8.752 6.375 1.00 0.00 N ATOM 902 CA GLY A 88 2.598 -8.589 6.411 1.00 0.00 C ATOM 903 C GLY A 88 2.174 -7.143 6.250 1.00 0.00 C ATOM 904 O GLY A 88 1.281 -6.669 6.953 1.00 0.00 O ATOM 0 H GLY A 88 4.494 -8.359 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.148 -9.187 5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.215 -8.973 7.356 1.00 0.00 H new ATOM 908 N CYS A 89 2.815 -6.440 5.324 1.00 0.00 N ATOM 909 CA CYS A 89 2.501 -5.037 5.074 1.00 0.00 C ATOM 910 C CYS A 89 3.132 -4.562 3.769 1.00 0.00 C ATOM 911 O CYS A 89 4.083 -5.165 3.273 1.00 0.00 O ATOM 912 CB CYS A 89 2.988 -4.170 6.236 1.00 0.00 C ATOM 913 SG CYS A 89 4.582 -4.680 6.921 1.00 0.00 S ATOM 0 H CYS A 89 3.556 -6.818 4.733 1.00 0.00 H new ATOM 0 HA CYS A 89 1.419 -4.942 4.988 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.064 -3.137 5.897 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.240 -4.191 7.029 1.00 0.00 H new ATOM 0 HG CYS A 89 4.910 -3.885 7.896 1.00 0.00 H new ATOM 919 N ALA A 90 2.594 -3.479 3.218 1.00 0.00 N ATOM 920 CA ALA A 90 3.104 -2.923 1.971 1.00 0.00 C ATOM 921 C ALA A 90 2.801 -1.432 1.870 1.00 0.00 C ATOM 922 O ALA A 90 1.774 -0.962 2.362 1.00 0.00 O ATOM 923 CB ALA A 90 2.514 -3.666 0.782 1.00 0.00 C ATOM 0 H ALA A 90 1.805 -2.969 3.616 1.00 0.00 H new ATOM 0 HA ALA A 90 4.187 -3.048 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.903 -3.240 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.787 -4.720 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.428 -3.571 0.796 1.00 0.00 H new ATOM 929 N PHE A 91 3.700 -0.692 1.230 1.00 0.00 N ATOM 930 CA PHE A 91 3.529 0.747 1.066 1.00 0.00 C ATOM 931 C PHE A 91 2.937 1.072 -0.302 1.00 0.00 C ATOM 932 O PHE A 91 3.593 0.903 -1.331 1.00 0.00 O ATOM 933 CB PHE A 91 4.870 1.464 1.238 1.00 0.00 C ATOM 934 CG PHE A 91 5.197 1.790 2.667 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.286 2.465 3.464 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.414 1.419 3.215 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.585 2.767 4.779 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.718 1.717 4.530 1.00 0.00 C ATOM 939 CZ PHE A 91 5.802 2.391 5.313 1.00 0.00 C ATOM 0 H PHE A 91 4.555 -1.065 0.816 1.00 0.00 H new ATOM 0 HA PHE A 91 2.838 1.095 1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.662 0.839 0.826 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.857 2.386 0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.331 2.758 3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.134 0.891 2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.868 3.297 5.389 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.671 1.423 4.945 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.037 2.624 6.341 1.00 0.00 H new ATOM 949 N LEU A 92 1.694 1.538 -0.306 1.00 0.00 N ATOM 950 CA LEU A 92 1.011 1.887 -1.548 1.00 0.00 C ATOM 951 C LEU A 92 1.045 3.394 -1.783 1.00 0.00 C ATOM 952 O LEU A 92 0.787 4.182 -0.872 1.00 0.00 O ATOM 953 CB LEU A 92 -0.437 1.397 -1.512 1.00 0.00 C ATOM 954 CG LEU A 92 -1.393 2.054 -2.508 1.00 0.00 C ATOM 955 CD1 LEU A 92 -0.996 1.711 -3.935 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.827 1.625 -2.234 1.00 0.00 C ATOM 0 H LEU A 92 1.137 1.683 0.536 1.00 0.00 H new ATOM 0 HA LEU A 92 1.533 1.398 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.440 0.322 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.828 1.554 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.328 3.135 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.688 2.187 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.015 2.069 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.031 0.630 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.493 2.102 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.907 0.542 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.109 1.923 -1.224 1.00 0.00 H new ATOM 968 N THR A 93 1.363 3.789 -3.012 1.00 0.00 N ATOM 969 CA THR A 93 1.429 5.201 -3.368 1.00 0.00 C ATOM 970 C THR A 93 0.515 5.514 -4.547 1.00 0.00 C ATOM 971 O THR A 93 0.613 4.890 -5.604 1.00 0.00 O ATOM 972 CB THR A 93 2.867 5.624 -3.721 1.00 0.00 C ATOM 973 OG1 THR A 93 3.754 5.289 -2.648 1.00 0.00 O ATOM 974 CG2 THR A 93 2.939 7.119 -3.997 1.00 0.00 C ATOM 0 H THR A 93 1.579 3.151 -3.778 1.00 0.00 H new ATOM 0 HA THR A 93 1.097 5.763 -2.495 1.00 0.00 H new ATOM 0 HB THR A 93 3.169 5.089 -4.622 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.613 4.991 -3.014 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.964 7.394 -4.244 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.285 7.367 -4.833 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.619 7.668 -3.112 1.00 0.00 H new ATOM 982 N TYR A 94 -0.373 6.484 -4.360 1.00 0.00 N ATOM 983 CA TYR A 94 -1.306 6.879 -5.408 1.00 0.00 C ATOM 984 C TYR A 94 -0.811 8.125 -6.136 1.00 0.00 C ATOM 985 O TYR A 94 -0.051 8.921 -5.583 1.00 0.00 O ATOM 986 CB TYR A 94 -2.692 7.138 -4.815 1.00 0.00 C ATOM 987 CG TYR A 94 -3.554 5.899 -4.728 1.00 0.00 C ATOM 988 CD1 TYR A 94 -4.057 5.296 -5.874 1.00 0.00 C ATOM 989 CD2 TYR A 94 -3.866 5.331 -3.499 1.00 0.00 C ATOM 990 CE1 TYR A 94 -4.846 4.164 -5.799 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.652 4.198 -3.414 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.140 3.619 -4.567 1.00 0.00 C ATOM 993 OH TYR A 94 -5.925 2.491 -4.487 1.00 0.00 O ATOM 0 H TYR A 94 -0.466 7.011 -3.492 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.373 6.062 -6.127 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.578 7.562 -3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.204 7.885 -5.422 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.827 5.719 -6.841 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.487 5.783 -2.594 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.230 3.709 -6.700 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.883 3.768 -2.451 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.059 2.122 -5.385 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.249 8.288 -7.380 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.851 9.437 -8.186 1.00 0.00 C ATOM 1005 C CYS A 95 -1.411 10.730 -7.602 1.00 0.00 C ATOM 1006 O CYS A 95 -0.695 11.722 -7.467 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.330 9.265 -9.628 1.00 0.00 C ATOM 1008 SG CYS A 95 -0.487 7.946 -10.534 1.00 0.00 S ATOM 0 H CYS A 95 -1.879 7.640 -7.852 1.00 0.00 H new ATOM 0 HA CYS A 95 0.237 9.497 -8.177 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.401 9.060 -9.622 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.188 10.205 -10.161 1.00 0.00 H new ATOM 0 HG CYS A 95 -0.962 7.877 -11.742 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.695 10.712 -7.260 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.350 11.882 -6.690 1.00 0.00 C ATOM 1016 C ALA A 96 -3.595 11.702 -5.196 1.00 0.00 C ATOM 1017 O ALA A 96 -3.325 10.639 -4.637 1.00 0.00 O ATOM 1018 CB ALA A 96 -4.661 12.156 -7.412 1.00 0.00 C ATOM 0 H ALA A 96 -3.302 9.900 -7.368 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.688 12.738 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.140 13.033 -6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.463 12.338 -8.468 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.320 11.294 -7.309 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.106 12.748 -4.554 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.385 12.705 -3.124 1.00 0.00 C ATOM 1026 C ARG A 97 -5.755 12.090 -2.855 1.00 0.00 C ATOM 1027 O ARG A 97 -5.915 11.279 -1.943 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.320 14.113 -2.528 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.364 15.062 -3.093 1.00 0.00 C ATOM 1030 CD ARG A 97 -5.047 16.508 -2.746 1.00 0.00 C ATOM 1031 NE ARG A 97 -6.248 17.339 -2.713 1.00 0.00 N ATOM 1032 CZ ARG A 97 -6.234 18.641 -2.450 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -5.087 19.258 -2.199 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -7.369 19.329 -2.438 1.00 0.00 N ATOM 0 H ARG A 97 -4.335 13.635 -5.002 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.627 12.081 -2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.448 14.047 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.328 14.529 -2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.412 14.949 -4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.346 14.799 -2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.552 16.548 -1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.347 16.911 -3.478 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.147 16.895 -2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.213 18.733 -2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.079 20.258 -1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.253 18.858 -2.631 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.357 20.329 -2.236 1.00 0.00 H new ATOM 1048 N ASP A 98 -6.741 12.481 -3.656 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.098 11.968 -3.505 1.00 0.00 C ATOM 1050 C ASP A 98 -8.118 10.447 -3.611 1.00 0.00 C ATOM 1051 O ASP A 98 -8.564 9.757 -2.694 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.017 12.578 -4.564 1.00 0.00 C ATOM 1053 CG ASP A 98 -10.452 12.690 -4.090 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -10.829 11.946 -3.161 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -11.199 13.520 -4.649 1.00 0.00 O ATOM 0 H ASP A 98 -6.626 13.151 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.459 12.250 -2.516 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.648 13.568 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.982 11.968 -5.466 1.00 0.00 H new ATOM 1060 N SER A 99 -7.633 9.930 -4.736 1.00 0.00 N ATOM 1061 CA SER A 99 -7.601 8.490 -4.964 1.00 0.00 C ATOM 1062 C SER A 99 -7.265 7.744 -3.677 1.00 0.00 C ATOM 1063 O SER A 99 -7.899 6.744 -3.343 1.00 0.00 O ATOM 1064 CB SER A 99 -6.577 8.148 -6.048 1.00 0.00 C ATOM 1065 OG SER A 99 -7.087 8.430 -7.339 1.00 0.00 O ATOM 0 H SER A 99 -7.257 10.487 -5.503 1.00 0.00 H new ATOM 0 HA SER A 99 -8.591 8.177 -5.297 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.663 8.718 -5.882 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.311 7.093 -5.981 1.00 0.00 H new ATOM 0 HG SER A 99 -6.413 8.204 -8.014 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.262 8.238 -2.958 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.842 7.620 -1.707 1.00 0.00 C ATOM 1073 C ALA A 100 -6.942 7.708 -0.654 1.00 0.00 C ATOM 1074 O ALA A 100 -7.237 6.730 0.034 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.567 8.275 -1.196 1.00 0.00 C ATOM 0 H ALA A 100 -5.725 9.065 -3.221 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.644 6.566 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.265 7.803 -0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.775 8.155 -1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.746 9.337 -1.025 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.546 8.886 -0.534 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.614 9.102 0.436 1.00 0.00 C ATOM 1083 C LEU A 101 -9.759 8.119 0.213 1.00 0.00 C ATOM 1084 O LEU A 101 -10.236 7.481 1.152 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.134 10.537 0.340 1.00 0.00 C ATOM 1086 CG LEU A 101 -8.080 11.641 0.442 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.614 12.944 -0.132 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.646 11.831 1.888 1.00 0.00 C ATOM 0 H LEU A 101 -7.314 9.705 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.205 8.936 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.658 10.649 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.869 10.690 1.130 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.210 11.341 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.850 13.717 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.874 12.800 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.501 13.250 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.896 12.620 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.509 12.108 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.222 10.901 2.266 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.194 7.999 -1.036 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.280 7.090 -1.385 1.00 0.00 C ATOM 1102 C LYS A 102 -10.933 5.655 -1.004 1.00 0.00 C ATOM 1103 O LYS A 102 -11.545 5.075 -0.108 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.581 7.173 -2.883 1.00 0.00 C ATOM 1105 CG LYS A 102 -11.949 8.570 -3.353 1.00 0.00 C ATOM 1106 CD LYS A 102 -12.541 8.549 -4.753 1.00 0.00 C ATOM 1107 CE LYS A 102 -13.025 9.928 -5.173 1.00 0.00 C ATOM 1108 NZ LYS A 102 -13.630 9.912 -6.534 1.00 0.00 N ATOM 0 H LYS A 102 -9.811 8.520 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.166 7.391 -0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.709 6.829 -3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.399 6.492 -3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.666 9.011 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.063 9.204 -3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.792 8.194 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.372 7.844 -4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.759 10.290 -4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.189 10.627 -5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.948 10.870 -6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.922 9.591 -7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.443 9.264 -6.545 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.945 5.088 -1.689 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.514 3.722 -1.420 1.00 0.00 C ATOM 1124 C ALA A 103 -9.220 3.522 0.063 1.00 0.00 C ATOM 1125 O ALA A 103 -9.531 2.475 0.630 1.00 0.00 O ATOM 1126 CB ALA A 103 -8.289 3.381 -2.254 1.00 0.00 C ATOM 0 H ALA A 103 -9.428 5.554 -2.435 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.326 3.050 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.978 2.358 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.532 3.475 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.478 4.065 -2.005 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.618 4.531 0.683 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.280 4.464 2.100 1.00 0.00 C ATOM 1134 C GLN A 104 -9.524 4.210 2.945 1.00 0.00 C ATOM 1135 O GLN A 104 -9.613 3.206 3.652 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.601 5.760 2.547 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.287 5.802 4.033 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.269 7.213 4.587 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -8.004 7.536 5.521 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.427 8.064 4.012 1.00 0.00 N ATOM 0 H GLN A 104 -8.354 5.404 0.227 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.590 3.633 2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.676 5.888 1.985 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.245 6.603 2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -8.028 5.213 4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.318 5.334 4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.836 7.754 3.241 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.371 9.028 4.342 1.00 0.00 H new ATOM 1149 N SER A 105 -10.483 5.127 2.867 1.00 0.00 N ATOM 1150 CA SER A 105 -11.721 5.005 3.628 1.00 0.00 C ATOM 1151 C SER A 105 -12.660 3.993 2.979 1.00 0.00 C ATOM 1152 O SER A 105 -13.700 3.646 3.539 1.00 0.00 O ATOM 1153 CB SER A 105 -12.414 6.364 3.737 1.00 0.00 C ATOM 1154 OG SER A 105 -13.342 6.380 4.808 1.00 0.00 O ATOM 0 H SER A 105 -10.427 5.962 2.285 1.00 0.00 H new ATOM 0 HA SER A 105 -11.470 4.652 4.628 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.668 7.145 3.886 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.928 6.589 2.803 1.00 0.00 H new ATOM 0 HG SER A 105 -13.869 5.554 4.796 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.286 3.524 1.793 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.092 2.551 1.067 1.00 0.00 C ATOM 1162 C ALA A 106 -12.584 1.132 1.301 1.00 0.00 C ATOM 1163 O ALA A 106 -13.297 0.158 1.057 1.00 0.00 O ATOM 1164 CB ALA A 106 -13.097 2.873 -0.420 1.00 0.00 C ATOM 0 H ALA A 106 -11.429 3.803 1.315 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.113 2.610 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.703 2.138 -0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.515 3.868 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.076 2.845 -0.802 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.348 1.023 1.776 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.743 -0.278 2.043 1.00 0.00 C ATOM 1172 C LEU A 107 -10.507 -0.472 3.537 1.00 0.00 C ATOM 1173 O LEU A 107 -10.706 -1.564 4.071 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.422 -0.413 1.284 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.534 -0.634 -0.225 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.167 -0.525 -0.883 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.163 -1.988 -0.521 1.00 0.00 C ATOM 0 H LEU A 107 -10.745 1.819 1.984 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.432 -1.050 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.833 0.488 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.863 -1.245 1.712 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.178 0.142 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.266 -0.685 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.753 0.467 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.500 -1.279 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.235 -2.128 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.545 -2.778 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.160 -2.030 -0.083 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.083 0.595 4.207 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.823 0.542 5.642 1.00 0.00 C ATOM 1191 C HIS A 108 -11.009 -0.062 6.387 1.00 0.00 C ATOM 1192 O HIS A 108 -12.052 0.573 6.532 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.528 1.943 6.179 1.00 0.00 C ATOM 1194 CG HIS A 108 -8.994 1.947 7.578 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.691 1.618 7.888 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.594 2.245 8.754 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.514 1.712 9.193 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.653 2.091 9.742 1.00 0.00 N ATOM 0 H HIS A 108 -9.912 1.506 3.780 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.952 -0.093 5.806 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.808 2.431 5.522 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.442 2.536 6.146 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.622 2.548 8.890 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.594 1.513 9.722 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.809 2.245 10.738 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.840 -1.295 6.858 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.897 -1.985 7.587 1.00 0.00 C ATOM 1208 C GLU A 109 -13.152 -2.118 6.729 1.00 0.00 C ATOM 1209 O GLU A 109 -14.271 -1.981 7.222 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.228 -1.237 8.880 1.00 0.00 C ATOM 1211 CG GLU A 109 -11.030 -1.045 9.795 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.423 -0.937 11.256 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -11.921 0.135 11.659 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -11.233 -1.925 11.995 1.00 0.00 O ATOM 0 H GLU A 109 -9.982 -1.835 6.747 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.539 -2.984 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.643 -0.261 8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.002 -1.784 9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.343 -1.882 9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.493 -0.144 9.500 1.00 0.00 H new ATOM 1221 N GLN A 110 -12.956 -2.387 5.442 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.071 -2.537 4.515 1.00 0.00 C ATOM 1223 C GLN A 110 -13.950 -3.835 3.723 1.00 0.00 C ATOM 1224 O GLN A 110 -14.926 -4.566 3.555 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.131 -1.346 3.557 1.00 0.00 C ATOM 1226 CG GLN A 110 -15.537 -1.016 3.083 1.00 0.00 C ATOM 1227 CD GLN A 110 -15.652 0.392 2.532 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -16.178 0.602 1.439 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -15.159 1.366 3.288 1.00 0.00 N ATOM 0 H GLN A 110 -12.036 -2.505 5.018 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.991 -2.572 5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.709 -0.471 4.051 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.504 -1.556 2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.833 -1.729 2.313 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.233 -1.135 3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.731 1.147 4.188 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.208 2.334 2.969 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.745 -4.116 3.239 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.494 -5.327 2.465 1.00 0.00 C ATOM 1240 C LYS A 111 -11.849 -6.403 3.333 1.00 0.00 C ATOM 1241 O LYS A 111 -11.190 -6.101 4.328 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.593 -5.014 1.268 1.00 0.00 C ATOM 1243 CG LYS A 111 -11.841 -5.913 0.069 1.00 0.00 C ATOM 1244 CD LYS A 111 -13.174 -5.606 -0.593 1.00 0.00 C ATOM 1245 CE LYS A 111 -13.134 -5.894 -2.086 1.00 0.00 C ATOM 1246 NZ LYS A 111 -14.479 -5.763 -2.712 1.00 0.00 N ATOM 0 H LYS A 111 -11.926 -3.522 3.369 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.451 -5.702 2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.745 -3.976 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.551 -5.109 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.036 -5.785 -0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.823 -6.956 0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.959 -6.202 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.430 -4.559 -0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.440 -5.207 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.753 -6.902 -2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.410 -5.967 -3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -15.136 -6.436 -2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.832 -4.794 -2.576 1.00 0.00 H new ATOM 1260 N THR A 112 -12.041 -7.661 2.948 1.00 0.00 N ATOM 1261 CA THR A 112 -11.478 -8.782 3.690 1.00 0.00 C ATOM 1262 C THR A 112 -10.840 -9.798 2.751 1.00 0.00 C ATOM 1263 O THR A 112 -11.506 -10.712 2.263 1.00 0.00 O ATOM 1264 CB THR A 112 -12.550 -9.488 4.541 1.00 0.00 C ATOM 1265 OG1 THR A 112 -12.958 -8.639 5.619 1.00 0.00 O ATOM 1266 CG2 THR A 112 -12.022 -10.802 5.096 1.00 0.00 C ATOM 0 H THR A 112 -12.582 -7.929 2.126 1.00 0.00 H new ATOM 0 HA THR A 112 -10.714 -8.372 4.350 1.00 0.00 H new ATOM 0 HB THR A 112 -13.407 -9.700 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.641 -9.095 6.154 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.797 -11.282 5.694 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.740 -11.458 4.272 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.150 -10.609 5.721 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.545 -9.634 2.500 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.816 -10.539 1.618 1.00 0.00 C ATOM 1276 C LEU A 113 -9.126 -11.994 1.954 1.00 0.00 C ATOM 1277 O LEU A 113 -9.508 -12.330 3.075 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.311 -10.288 1.729 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.787 -9.035 1.026 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.400 -8.677 1.538 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.764 -9.239 -0.482 1.00 0.00 C ATOM 0 H LEU A 113 -8.979 -8.883 2.895 1.00 0.00 H new ATOM 0 HA LEU A 113 -9.136 -10.346 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -7.050 -10.224 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.787 -11.154 1.324 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.460 -8.208 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.043 -7.783 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.446 -8.488 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.716 -9.503 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.388 -8.337 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.114 -10.079 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.774 -9.447 -0.836 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.958 -12.880 0.961 1.00 0.00 N ATOM 1294 CA PRO A 114 -9.211 -14.314 1.128 1.00 0.00 C ATOM 1295 C PRO A 114 -8.182 -14.983 2.032 1.00 0.00 C ATOM 1296 O PRO A 114 -7.011 -15.103 1.673 1.00 0.00 O ATOM 1297 CB PRO A 114 -9.107 -14.861 -0.298 1.00 0.00 C ATOM 1298 CG PRO A 114 -8.224 -13.895 -1.010 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.505 -12.549 -0.401 1.00 0.00 C ATOM 0 HA PRO A 114 -10.173 -14.505 1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.684 -15.865 -0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -10.087 -14.924 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -7.175 -14.165 -0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -8.433 -13.891 -2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.615 -11.920 -0.387 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -9.269 -12.007 -0.958 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.627 -15.419 3.207 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.731 -16.072 4.143 1.00 0.00 C ATOM 1309 C GLY A 115 -7.416 -15.203 5.345 1.00 0.00 C ATOM 1310 O GLY A 115 -6.655 -15.603 6.226 1.00 0.00 O ATOM 0 H GLY A 115 -9.592 -15.332 3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -8.181 -17.006 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.803 -16.332 3.633 1.00 0.00 H new ATOM 1314 N MET A 116 -8.000 -14.010 5.381 1.00 0.00 N ATOM 1315 CA MET A 116 -7.777 -13.083 6.484 1.00 0.00 C ATOM 1316 C MET A 116 -9.070 -12.832 7.254 1.00 0.00 C ATOM 1317 O MET A 116 -9.956 -12.121 6.782 1.00 0.00 O ATOM 1318 CB MET A 116 -7.217 -11.759 5.960 1.00 0.00 C ATOM 1319 CG MET A 116 -5.754 -11.835 5.556 1.00 0.00 C ATOM 1320 SD MET A 116 -4.677 -12.291 6.929 1.00 0.00 S ATOM 1321 CE MET A 116 -3.465 -10.974 6.861 1.00 0.00 C ATOM 0 H MET A 116 -8.631 -13.663 4.659 1.00 0.00 H new ATOM 0 HA MET A 116 -7.052 -13.533 7.163 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.807 -11.439 5.101 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.334 -10.995 6.729 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.640 -12.563 4.753 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.440 -10.870 5.158 1.00 0.00 H new ATOM 0 HE1 MET A 116 -2.738 -11.107 7.662 1.00 0.00 H new ATOM 0 HE2 MET A 116 -2.953 -11.000 5.899 1.00 0.00 H new ATOM 0 HE3 MET A 116 -3.965 -10.013 6.980 1.00 0.00 H new ATOM 1331 N ASN A 117 -9.170 -13.422 8.441 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.355 -13.263 9.276 1.00 0.00 C ATOM 1333 C ASN A 117 -10.677 -11.786 9.488 1.00 0.00 C ATOM 1334 O ASN A 117 -11.841 -11.406 9.615 1.00 0.00 O ATOM 1335 CB ASN A 117 -10.149 -13.951 10.627 1.00 0.00 C ATOM 1336 CG ASN A 117 -11.258 -13.634 11.612 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -12.359 -14.177 11.521 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -10.971 -12.749 12.560 1.00 0.00 N ATOM 0 H ASN A 117 -8.445 -14.014 8.846 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.196 -13.730 8.763 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -10.096 -15.030 10.478 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -9.193 -13.640 11.048 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -11.677 -12.495 13.251 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -10.045 -12.324 12.597 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.637 -10.959 9.524 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.809 -9.525 9.722 1.00 0.00 C ATOM 1347 C ARG A 118 -9.723 -8.779 8.393 1.00 0.00 C ATOM 1348 O ARG A 118 -9.099 -9.237 7.436 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.750 -8.991 10.688 1.00 0.00 C ATOM 1350 CG ARG A 118 -8.909 -9.504 12.110 1.00 0.00 C ATOM 1351 CD ARG A 118 -7.605 -9.406 12.887 1.00 0.00 C ATOM 1352 NE ARG A 118 -7.455 -8.110 13.543 1.00 0.00 N ATOM 1353 CZ ARG A 118 -8.019 -7.805 14.706 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -8.768 -8.698 15.338 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -7.836 -6.604 15.239 1.00 0.00 N ATOM 0 H ARG A 118 -8.667 -11.257 9.419 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.798 -9.359 10.150 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.762 -9.267 10.319 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.794 -7.902 10.697 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.682 -8.930 12.621 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -9.244 -10.541 12.088 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.569 -10.198 13.636 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.766 -9.569 12.210 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.886 -7.400 13.083 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.912 -9.622 14.931 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -9.200 -8.461 16.231 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.262 -5.914 14.755 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -8.270 -6.371 16.132 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.364 -7.603 8.332 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.376 -6.769 7.127 1.00 0.00 C ATOM 1371 C PRO A 119 -9.012 -6.151 6.837 1.00 0.00 C ATOM 1372 O PRO A 119 -8.062 -6.335 7.599 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.397 -5.678 7.459 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.396 -5.600 8.947 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.129 -6.996 9.435 1.00 0.00 C ATOM 0 HA PRO A 119 -10.623 -7.345 6.235 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.117 -4.724 7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.386 -5.931 7.076 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.630 -4.910 9.301 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.352 -5.233 9.319 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.561 -6.995 10.365 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.055 -7.538 9.628 1.00 0.00 H new ATOM 1383 N ILE A 120 -8.922 -5.419 5.732 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.674 -4.773 5.343 1.00 0.00 C ATOM 1385 C ILE A 120 -7.548 -3.393 5.980 1.00 0.00 C ATOM 1386 O ILE A 120 -8.447 -2.561 5.864 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.567 -4.631 3.813 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.402 -3.710 3.445 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.871 -4.100 3.237 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.210 -3.545 1.954 1.00 0.00 C ATOM 0 H ILE A 120 -9.698 -5.258 5.090 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.864 -5.410 5.698 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.378 -5.615 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.569 -2.730 3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.484 -4.107 3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.779 -4.005 2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.681 -4.790 3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.089 -3.123 3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.367 -2.879 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -6.012 -4.517 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.113 -3.119 1.516 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.425 -3.159 6.651 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.180 -1.879 7.306 1.00 0.00 C ATOM 1404 C GLN A 121 -5.254 -1.006 6.466 1.00 0.00 C ATOM 1405 O GLN A 121 -4.116 -1.382 6.185 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.574 -2.099 8.693 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.558 -2.664 9.705 1.00 0.00 C ATOM 1408 CD GLN A 121 -6.074 -2.517 11.134 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -4.981 -2.966 11.481 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -6.888 -1.887 11.972 1.00 0.00 N ATOM 0 H GLN A 121 -5.671 -3.838 6.755 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.136 -1.366 7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.725 -2.778 8.606 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.187 -1.151 9.066 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.517 -2.157 9.596 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.729 -3.719 9.490 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -7.785 -1.531 11.641 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -6.617 -1.759 12.947 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.749 0.162 6.067 1.00 0.00 N ATOM 1420 CA VAL A 122 -4.966 1.089 5.260 1.00 0.00 C ATOM 1421 C VAL A 122 -4.996 2.494 5.851 1.00 0.00 C ATOM 1422 O VAL A 122 -6.061 3.091 6.008 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.481 1.143 3.809 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.593 2.039 2.960 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.560 -0.257 3.219 1.00 0.00 C ATOM 0 H VAL A 122 -6.689 0.488 6.290 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.940 0.720 5.260 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.485 1.567 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.972 2.065 1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.593 3.048 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.576 1.648 2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.926 -0.200 2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.569 -0.711 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.242 -0.865 3.814 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.819 3.017 6.178 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.709 4.353 6.751 1.00 0.00 C ATOM 1437 C LYS A 123 -2.646 5.171 6.024 1.00 0.00 C ATOM 1438 O LYS A 123 -1.695 4.633 5.456 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.369 4.265 8.241 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.250 3.288 8.553 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.199 2.952 10.034 1.00 0.00 C ATOM 1442 CE LYS A 123 -1.309 1.748 10.302 1.00 0.00 C ATOM 1443 NZ LYS A 123 0.125 2.133 10.417 1.00 0.00 N ATOM 0 H LYS A 123 -2.928 2.536 6.056 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.671 4.852 6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.086 5.255 8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.262 3.970 8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -2.393 2.374 7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.296 3.715 8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -1.827 3.812 10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -3.207 2.749 10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.628 1.258 11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -1.427 1.023 9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.640 1.808 9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 0.202 3.167 10.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 0.536 1.693 11.265 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.807 6.502 6.041 1.00 0.00 N ATOM 1458 CA PRO A 124 -1.870 7.422 5.390 1.00 0.00 C ATOM 1459 C PRO A 124 -0.523 7.478 6.103 1.00 0.00 C ATOM 1460 O PRO A 124 -0.299 8.331 6.961 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.579 8.775 5.481 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.481 8.651 6.660 1.00 0.00 C ATOM 1463 CD PRO A 124 -3.917 7.212 6.699 1.00 0.00 C ATOM 0 HA PRO A 124 -1.640 7.114 4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.865 9.588 5.612 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.142 8.989 4.572 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -2.963 8.927 7.578 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.339 9.316 6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.066 6.865 7.721 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.859 7.063 6.171 1.00 0.00 H new ATOM 1471 N ALA A 125 0.371 6.563 5.741 1.00 0.00 N ATOM 1472 CA ALA A 125 1.697 6.510 6.344 1.00 0.00 C ATOM 1473 C ALA A 125 2.208 7.909 6.670 1.00 0.00 C ATOM 1474 O ALA A 125 2.177 8.804 5.826 1.00 0.00 O ATOM 1475 CB ALA A 125 2.669 5.793 5.420 1.00 0.00 C ATOM 0 H ALA A 125 0.201 5.849 5.033 1.00 0.00 H new ATOM 0 HA ALA A 125 1.622 5.952 7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.655 5.761 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.319 4.776 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.731 6.327 4.472 1.00 0.00 H new