USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 377 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 31 CYS SG : rot -166:sc= 0.11 USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0.0857 USER MOD Set 1.3: A 33 CYS SG : rot -92:sc= -1.18 USER MOD Set 1.4: A 53 CYS SG : rot -153:sc= 0.627 USER MOD Set 1.5: A 56 CYS SG : rot 140:sc= -2.09! USER MOD Set 2.1: A 14 CYS SG : rot 151:sc= -0.961! USER MOD Set 2.2: A 17 CYS SG : rot -63:sc= -1.04 USER MOD Set 2.3: A 38 CYS SG : rot -140:sc= 0.162 USER MOD Set 2.4: A 41 CYS SG : rot 157:sc= -1.55 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -7.46! C(o=-7.5!,f=-11!) USER MOD Single : A 43 HIS : no HD1:sc= -3.9! K(o=-3.9!,f=-2.6) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.0472 X(o=0.047,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= -0.12 (180deg=-0.719) USER MOD Single : A 60 TYR OH : rot 77:sc= -4.68! USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -14.325 1.145 -0.358 1.00 0.00 N ATOM 166 CA VAL A 12 -13.504 0.375 -1.337 1.00 0.00 C ATOM 167 C VAL A 12 -13.425 -1.089 -0.899 1.00 0.00 C ATOM 168 O VAL A 12 -13.625 -1.414 0.255 1.00 0.00 O ATOM 169 CB VAL A 12 -12.092 0.963 -1.391 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.412 0.554 -2.698 1.00 0.00 C ATOM 171 CG2 VAL A 12 -12.171 2.488 -1.318 1.00 0.00 C ATOM 0 HA VAL A 12 -13.965 0.436 -2.323 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.514 0.585 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.407 0.975 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.352 -0.533 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.991 0.928 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.165 2.907 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.753 2.863 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.651 2.783 -0.385 1.00 0.00 H new ATOM 181 N GLU A 13 -13.132 -1.977 -1.810 1.00 0.00 N ATOM 182 CA GLU A 13 -13.037 -3.419 -1.444 1.00 0.00 C ATOM 183 C GLU A 13 -11.658 -3.954 -1.840 1.00 0.00 C ATOM 184 O GLU A 13 -11.266 -3.897 -2.988 1.00 0.00 O ATOM 185 CB GLU A 13 -14.126 -4.203 -2.180 1.00 0.00 C ATOM 186 CG GLU A 13 -15.501 -3.643 -1.806 1.00 0.00 C ATOM 187 CD GLU A 13 -16.183 -3.085 -3.056 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.249 -3.802 -4.042 1.00 0.00 O ATOM 189 OE2 GLU A 13 -16.628 -1.950 -3.007 1.00 0.00 O ATOM 0 H GLU A 13 -12.954 -1.766 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.174 -3.534 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.974 -4.133 -3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.068 -5.259 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.116 -4.426 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.394 -2.859 -1.057 1.00 0.00 H new ATOM 196 N CYS A 14 -10.917 -4.468 -0.893 1.00 0.00 N ATOM 197 CA CYS A 14 -9.559 -5.005 -1.206 1.00 0.00 C ATOM 198 C CYS A 14 -9.598 -5.789 -2.527 1.00 0.00 C ATOM 199 O CYS A 14 -10.350 -6.734 -2.657 1.00 0.00 O ATOM 200 CB CYS A 14 -9.113 -5.942 -0.085 1.00 0.00 C ATOM 201 SG CYS A 14 -7.428 -6.511 -0.421 1.00 0.00 S ATOM 0 H CYS A 14 -11.194 -4.539 0.086 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.860 -4.174 -1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.151 -5.425 0.874 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.790 -6.793 -0.015 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.822 -6.760 0.702 1.00 0.00 H new ATOM 206 N PRO A 15 -8.785 -5.375 -3.470 1.00 0.00 N ATOM 207 CA PRO A 15 -8.707 -6.025 -4.791 1.00 0.00 C ATOM 208 C PRO A 15 -7.842 -7.293 -4.731 1.00 0.00 C ATOM 209 O PRO A 15 -7.482 -7.851 -5.749 1.00 0.00 O ATOM 210 CB PRO A 15 -8.039 -4.965 -5.671 1.00 0.00 C ATOM 211 CG PRO A 15 -7.263 -4.028 -4.713 1.00 0.00 C ATOM 212 CD PRO A 15 -7.876 -4.220 -3.314 1.00 0.00 C ATOM 0 HA PRO A 15 -9.682 -6.342 -5.162 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.365 -5.427 -6.392 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.783 -4.408 -6.241 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.201 -4.274 -4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.348 -2.990 -5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.108 -4.417 -2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.415 -3.330 -2.990 1.00 0.00 H new ATOM 220 N LEU A 16 -7.500 -7.752 -3.557 1.00 0.00 N ATOM 221 CA LEU A 16 -6.654 -8.980 -3.462 1.00 0.00 C ATOM 222 C LEU A 16 -7.396 -10.085 -2.703 1.00 0.00 C ATOM 223 O LEU A 16 -7.153 -11.256 -2.917 1.00 0.00 O ATOM 224 CB LEU A 16 -5.346 -8.672 -2.721 1.00 0.00 C ATOM 225 CG LEU A 16 -5.028 -7.178 -2.788 1.00 0.00 C ATOM 226 CD1 LEU A 16 -3.910 -6.858 -1.793 1.00 0.00 C ATOM 227 CD2 LEU A 16 -4.567 -6.813 -4.201 1.00 0.00 C ATOM 0 H LEU A 16 -7.767 -7.335 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.434 -9.314 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.429 -8.985 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.529 -9.243 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.921 -6.604 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.678 -5.794 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.234 -7.119 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.020 -7.434 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.341 -5.748 -4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.673 -7.385 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.358 -7.047 -4.914 1.00 0.00 H new ATOM 239 N CYS A 17 -8.287 -9.736 -1.813 1.00 0.00 N ATOM 240 CA CYS A 17 -9.012 -10.796 -1.054 1.00 0.00 C ATOM 241 C CYS A 17 -10.512 -10.479 -1.009 1.00 0.00 C ATOM 242 O CYS A 17 -11.301 -11.254 -0.510 1.00 0.00 O ATOM 243 CB CYS A 17 -8.439 -10.888 0.370 1.00 0.00 C ATOM 244 SG CYS A 17 -8.898 -9.423 1.330 1.00 0.00 S ATOM 0 H CYS A 17 -8.542 -8.776 -1.581 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.878 -11.755 -1.554 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.813 -11.785 0.862 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.354 -10.977 0.327 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.371 -8.366 0.787 1.00 0.00 H new ATOM 249 N MET A 18 -10.907 -9.352 -1.545 1.00 0.00 N ATOM 250 CA MET A 18 -12.353 -8.971 -1.563 1.00 0.00 C ATOM 251 C MET A 18 -12.776 -8.370 -0.214 1.00 0.00 C ATOM 252 O MET A 18 -13.747 -7.645 -0.129 1.00 0.00 O ATOM 253 CB MET A 18 -13.216 -10.201 -1.874 1.00 0.00 C ATOM 254 CG MET A 18 -12.609 -10.968 -3.053 1.00 0.00 C ATOM 255 SD MET A 18 -12.846 -12.745 -2.808 1.00 0.00 S ATOM 256 CE MET A 18 -13.647 -13.085 -4.395 1.00 0.00 C ATOM 0 H MET A 18 -10.282 -8.671 -1.976 1.00 0.00 H new ATOM 0 HA MET A 18 -12.499 -8.220 -2.339 1.00 0.00 H new ATOM 0 HB2 MET A 18 -13.275 -10.847 -0.998 1.00 0.00 H new ATOM 0 HB3 MET A 18 -14.234 -9.893 -2.113 1.00 0.00 H new ATOM 0 HG2 MET A 18 -13.079 -10.653 -3.985 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.546 -10.741 -3.139 1.00 0.00 H new ATOM 0 HE1 MET A 18 -13.887 -14.146 -4.461 1.00 0.00 H new ATOM 0 HE2 MET A 18 -14.564 -12.500 -4.473 1.00 0.00 H new ATOM 0 HE3 MET A 18 -12.974 -12.814 -5.208 1.00 0.00 H new ATOM 266 N GLU A 19 -12.061 -8.664 0.835 1.00 0.00 N ATOM 267 CA GLU A 19 -12.419 -8.112 2.172 1.00 0.00 C ATOM 268 C GLU A 19 -12.815 -6.634 2.034 1.00 0.00 C ATOM 269 O GLU A 19 -12.190 -5.895 1.300 1.00 0.00 O ATOM 270 CB GLU A 19 -11.204 -8.227 3.095 1.00 0.00 C ATOM 271 CG GLU A 19 -11.567 -7.732 4.496 1.00 0.00 C ATOM 272 CD GLU A 19 -10.341 -7.843 5.406 1.00 0.00 C ATOM 273 OE1 GLU A 19 -9.555 -6.912 5.425 1.00 0.00 O ATOM 274 OE2 GLU A 19 -10.211 -8.860 6.067 1.00 0.00 O ATOM 0 H GLU A 19 -11.238 -9.267 0.824 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.258 -8.670 2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.868 -9.263 3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.376 -7.641 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.909 -6.698 4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.389 -8.322 4.901 1.00 0.00 H new ATOM 281 N PRO A 20 -13.844 -6.245 2.750 1.00 0.00 N ATOM 282 CA PRO A 20 -14.345 -4.859 2.734 1.00 0.00 C ATOM 283 C PRO A 20 -13.456 -3.961 3.602 1.00 0.00 C ATOM 284 O PRO A 20 -13.313 -4.175 4.790 1.00 0.00 O ATOM 285 CB PRO A 20 -15.751 -4.978 3.332 1.00 0.00 C ATOM 286 CG PRO A 20 -15.760 -6.281 4.165 1.00 0.00 C ATOM 287 CD PRO A 20 -14.602 -7.150 3.640 1.00 0.00 C ATOM 0 HA PRO A 20 -14.347 -4.414 1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.982 -4.115 3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.506 -5.014 2.546 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.631 -6.063 5.225 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.712 -6.801 4.060 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.980 -7.520 4.455 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.971 -8.022 3.100 1.00 0.00 H new ATOM 295 N LEU A 21 -12.855 -2.964 3.016 1.00 0.00 N ATOM 296 CA LEU A 21 -11.970 -2.058 3.802 1.00 0.00 C ATOM 297 C LEU A 21 -12.795 -1.282 4.830 1.00 0.00 C ATOM 298 O LEU A 21 -13.952 -1.571 5.066 1.00 0.00 O ATOM 299 CB LEU A 21 -11.290 -1.070 2.854 1.00 0.00 C ATOM 300 CG LEU A 21 -10.254 -1.807 2.006 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.385 -1.370 0.546 1.00 0.00 C ATOM 302 CD2 LEU A 21 -8.850 -1.473 2.510 1.00 0.00 C ATOM 0 H LEU A 21 -12.938 -2.736 2.025 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.219 -2.654 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.032 -0.597 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.810 -0.275 3.424 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.423 -2.881 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.646 -1.896 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.385 -1.607 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.217 -0.296 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.112 -1.999 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.682 -0.399 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.754 -1.783 3.551 1.00 0.00 H new ATOM 314 N GLU A 22 -12.202 -0.291 5.437 1.00 0.00 N ATOM 315 CA GLU A 22 -12.934 0.522 6.447 1.00 0.00 C ATOM 316 C GLU A 22 -12.739 2.003 6.122 1.00 0.00 C ATOM 317 O GLU A 22 -12.545 2.376 4.983 1.00 0.00 O ATOM 318 CB GLU A 22 -12.377 0.227 7.843 1.00 0.00 C ATOM 319 CG GLU A 22 -13.522 0.193 8.856 1.00 0.00 C ATOM 320 CD GLU A 22 -12.952 0.251 10.274 1.00 0.00 C ATOM 321 OE1 GLU A 22 -11.739 0.259 10.403 1.00 0.00 O ATOM 322 OE2 GLU A 22 -13.737 0.287 11.206 1.00 0.00 O ATOM 0 H GLU A 22 -11.235 -0.008 5.275 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.995 0.274 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.851 -0.728 7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.651 0.990 8.125 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.195 1.034 8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.110 -0.716 8.726 1.00 0.00 H new ATOM 329 N ILE A 23 -12.786 2.853 7.110 1.00 0.00 N ATOM 330 CA ILE A 23 -12.599 4.308 6.845 1.00 0.00 C ATOM 331 C ILE A 23 -11.111 4.661 6.965 1.00 0.00 C ATOM 332 O ILE A 23 -10.515 5.190 6.048 1.00 0.00 O ATOM 333 CB ILE A 23 -13.422 5.120 7.855 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.876 5.180 7.383 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.869 6.546 7.963 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.612 3.913 7.823 1.00 0.00 C ATOM 0 H ILE A 23 -12.945 2.605 8.086 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.939 4.547 5.837 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.364 4.640 8.832 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -15.367 6.060 7.797 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.913 5.276 6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.461 7.112 8.682 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.832 6.510 8.295 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.921 7.031 6.988 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -16.648 3.958 7.486 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -15.126 3.040 7.387 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -15.588 3.837 8.910 1.00 0.00 H new ATOM 348 N ASP A 24 -10.513 4.384 8.090 1.00 0.00 N ATOM 349 CA ASP A 24 -9.070 4.714 8.267 1.00 0.00 C ATOM 350 C ASP A 24 -8.209 3.743 7.456 1.00 0.00 C ATOM 351 O ASP A 24 -7.013 3.916 7.335 1.00 0.00 O ATOM 352 CB ASP A 24 -8.702 4.604 9.749 1.00 0.00 C ATOM 353 CG ASP A 24 -7.465 5.458 10.032 1.00 0.00 C ATOM 354 OD1 ASP A 24 -7.516 6.646 9.761 1.00 0.00 O ATOM 355 OD2 ASP A 24 -6.488 4.909 10.513 1.00 0.00 O ATOM 0 H ASP A 24 -10.960 3.944 8.894 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.889 5.730 7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.536 4.936 10.367 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.506 3.564 10.010 1.00 0.00 H new ATOM 360 N ASP A 25 -8.802 2.723 6.900 1.00 0.00 N ATOM 361 CA ASP A 25 -8.005 1.749 6.103 1.00 0.00 C ATOM 362 C ASP A 25 -8.040 2.143 4.624 1.00 0.00 C ATOM 363 O ASP A 25 -7.364 1.559 3.801 1.00 0.00 O ATOM 364 CB ASP A 25 -8.593 0.347 6.271 1.00 0.00 C ATOM 365 CG ASP A 25 -8.499 -0.072 7.740 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.629 0.440 8.426 1.00 0.00 O ATOM 367 OD2 ASP A 25 -9.299 -0.895 8.153 1.00 0.00 O ATOM 0 H ASP A 25 -9.800 2.522 6.963 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.973 1.755 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.633 0.335 5.944 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.054 -0.363 5.644 1.00 0.00 H new ATOM 372 N ILE A 26 -8.819 3.130 4.279 1.00 0.00 N ATOM 373 CA ILE A 26 -8.891 3.557 2.853 1.00 0.00 C ATOM 374 C ILE A 26 -7.618 4.336 2.496 1.00 0.00 C ATOM 375 O ILE A 26 -7.089 4.214 1.410 1.00 0.00 O ATOM 376 CB ILE A 26 -10.139 4.434 2.649 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.339 3.533 2.347 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.932 5.402 1.478 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.559 4.396 2.020 1.00 0.00 C ATOM 0 H ILE A 26 -9.408 3.659 4.922 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.965 2.686 2.202 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.316 5.011 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.111 2.875 1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.552 2.894 3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.825 6.014 1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.078 6.046 1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.746 4.835 0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.413 3.753 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.791 5.035 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.344 5.016 1.150 1.00 0.00 H new ATOM 391 N ASN A 27 -7.121 5.130 3.402 1.00 0.00 N ATOM 392 CA ASN A 27 -5.884 5.907 3.111 1.00 0.00 C ATOM 393 C ASN A 27 -4.663 5.093 3.545 1.00 0.00 C ATOM 394 O ASN A 27 -3.640 5.636 3.910 1.00 0.00 O ATOM 395 CB ASN A 27 -5.918 7.229 3.879 1.00 0.00 C ATOM 396 CG ASN A 27 -5.607 8.379 2.920 1.00 0.00 C ATOM 397 OD1 ASN A 27 -4.573 9.008 3.022 1.00 0.00 O ATOM 398 ND2 ASN A 27 -6.466 8.680 1.985 1.00 0.00 N ATOM 0 H ASN A 27 -7.517 5.275 4.331 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.824 6.113 2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.898 7.374 4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.191 7.210 4.691 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.269 9.444 1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.334 8.151 1.900 1.00 0.00 H new ATOM 405 N PHE A 28 -4.764 3.792 3.505 1.00 0.00 N ATOM 406 CA PHE A 28 -3.609 2.943 3.912 1.00 0.00 C ATOM 407 C PHE A 28 -3.199 2.048 2.743 1.00 0.00 C ATOM 408 O PHE A 28 -3.728 0.970 2.557 1.00 0.00 O ATOM 409 CB PHE A 28 -4.008 2.070 5.103 1.00 0.00 C ATOM 410 CG PHE A 28 -2.935 1.034 5.343 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.664 1.431 5.774 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.210 -0.322 5.130 1.00 0.00 C ATOM 413 CE1 PHE A 28 -0.668 0.473 5.994 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.213 -1.281 5.348 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.942 -0.883 5.780 1.00 0.00 C ATOM 0 H PHE A 28 -5.596 3.281 3.208 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.773 3.582 4.195 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.140 2.686 5.992 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.963 1.583 4.908 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.452 2.477 5.937 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.191 -0.628 4.798 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.312 0.780 6.329 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.424 -2.327 5.183 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.173 -1.622 5.948 1.00 0.00 H new ATOM 425 N PHE A 29 -2.260 2.486 1.953 1.00 0.00 N ATOM 426 CA PHE A 29 -1.815 1.661 0.796 1.00 0.00 C ATOM 427 C PHE A 29 -0.345 1.277 0.982 1.00 0.00 C ATOM 428 O PHE A 29 0.440 2.066 1.466 1.00 0.00 O ATOM 429 CB PHE A 29 -1.963 2.469 -0.496 1.00 0.00 C ATOM 430 CG PHE A 29 -1.752 3.934 -0.196 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.460 4.424 0.039 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.852 4.798 -0.143 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.272 5.782 0.328 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.663 6.154 0.145 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.374 6.647 0.381 1.00 0.00 C ATOM 0 H PHE A 29 -1.781 3.380 2.058 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.427 0.761 0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.238 2.129 -1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.953 2.313 -0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.388 3.757 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.847 4.418 -0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.722 6.163 0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.512 6.821 0.185 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.229 7.694 0.604 1.00 0.00 H new ATOM 445 N PRO A 30 -0.017 0.076 0.584 1.00 0.00 N ATOM 446 CA PRO A 30 1.357 -0.439 0.686 1.00 0.00 C ATOM 447 C PRO A 30 2.214 0.140 -0.441 1.00 0.00 C ATOM 448 O PRO A 30 3.406 -0.069 -0.496 1.00 0.00 O ATOM 449 CB PRO A 30 1.188 -1.952 0.523 1.00 0.00 C ATOM 450 CG PRO A 30 -0.155 -2.162 -0.216 1.00 0.00 C ATOM 451 CD PRO A 30 -0.979 -0.880 -0.003 1.00 0.00 C ATOM 0 HA PRO A 30 1.853 -0.173 1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.015 -2.377 -0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.180 -2.449 1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.011 -2.344 -1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.682 -3.031 0.177 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.387 -0.508 -0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.823 -1.055 0.664 1.00 0.00 H new ATOM 459 N CYS A 31 1.611 0.865 -1.343 1.00 0.00 N ATOM 460 CA CYS A 31 2.388 1.455 -2.467 1.00 0.00 C ATOM 461 C CYS A 31 1.842 2.850 -2.782 1.00 0.00 C ATOM 462 O CYS A 31 0.768 3.215 -2.349 1.00 0.00 O ATOM 463 CB CYS A 31 2.252 0.555 -3.696 1.00 0.00 C ATOM 464 SG CYS A 31 3.403 1.096 -4.981 1.00 0.00 S ATOM 0 H CYS A 31 0.613 1.074 -1.349 1.00 0.00 H new ATOM 0 HA CYS A 31 3.439 1.535 -2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.456 -0.481 -3.424 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.230 0.590 -4.072 1.00 0.00 H new ATOM 0 HG CYS A 31 3.086 0.537 -6.111 1.00 0.00 H new ATOM 469 N THR A 32 2.573 3.636 -3.523 1.00 0.00 N ATOM 470 CA THR A 32 2.089 5.006 -3.850 1.00 0.00 C ATOM 471 C THR A 32 1.268 4.978 -5.143 1.00 0.00 C ATOM 472 O THR A 32 0.487 5.870 -5.407 1.00 0.00 O ATOM 473 CB THR A 32 3.286 5.943 -4.028 1.00 0.00 C ATOM 474 OG1 THR A 32 4.399 5.199 -4.504 1.00 0.00 O ATOM 475 CG2 THR A 32 3.636 6.590 -2.688 1.00 0.00 C ATOM 0 H THR A 32 3.482 3.390 -3.915 1.00 0.00 H new ATOM 0 HA THR A 32 1.461 5.365 -3.035 1.00 0.00 H new ATOM 0 HB THR A 32 3.034 6.722 -4.747 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.167 5.797 -4.621 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.489 7.257 -2.818 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.781 7.161 -2.325 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.888 5.815 -1.965 1.00 0.00 H new ATOM 483 N CYS A 33 1.431 3.965 -5.952 1.00 0.00 N ATOM 484 CA CYS A 33 0.649 3.901 -7.220 1.00 0.00 C ATOM 485 C CYS A 33 -0.839 4.043 -6.901 1.00 0.00 C ATOM 486 O CYS A 33 -1.593 4.624 -7.656 1.00 0.00 O ATOM 487 CB CYS A 33 0.899 2.566 -7.928 1.00 0.00 C ATOM 488 SG CYS A 33 0.272 1.207 -6.913 1.00 0.00 S ATOM 0 H CYS A 33 2.067 3.184 -5.791 1.00 0.00 H new ATOM 0 HA CYS A 33 0.964 4.711 -7.877 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.407 2.562 -8.901 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.966 2.434 -8.109 1.00 0.00 H new ATOM 0 HG CYS A 33 1.223 0.765 -6.144 1.00 0.00 H new ATOM 493 N GLY A 34 -1.270 3.525 -5.783 1.00 0.00 N ATOM 494 CA GLY A 34 -2.709 3.644 -5.417 1.00 0.00 C ATOM 495 C GLY A 34 -3.338 2.254 -5.306 1.00 0.00 C ATOM 496 O GLY A 34 -4.537 2.098 -5.423 1.00 0.00 O ATOM 0 H GLY A 34 -0.689 3.026 -5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.809 4.174 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.236 4.232 -6.168 1.00 0.00 H new ATOM 500 N TYR A 35 -2.546 1.241 -5.072 1.00 0.00 N ATOM 501 CA TYR A 35 -3.116 -0.131 -4.946 1.00 0.00 C ATOM 502 C TYR A 35 -3.550 -0.348 -3.493 1.00 0.00 C ATOM 503 O TYR A 35 -3.262 -1.361 -2.887 1.00 0.00 O ATOM 504 CB TYR A 35 -2.058 -1.168 -5.337 1.00 0.00 C ATOM 505 CG TYR A 35 -2.730 -2.378 -5.946 1.00 0.00 C ATOM 506 CD1 TYR A 35 -3.668 -2.215 -6.973 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.411 -3.664 -5.490 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.287 -3.335 -7.543 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.029 -4.783 -6.060 1.00 0.00 C ATOM 510 CZ TYR A 35 -3.967 -4.618 -7.087 1.00 0.00 C ATOM 511 OH TYR A 35 -4.578 -5.722 -7.648 1.00 0.00 O ATOM 0 H TYR A 35 -1.534 1.304 -4.963 1.00 0.00 H new ATOM 0 HA TYR A 35 -3.975 -0.242 -5.608 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.355 -0.734 -6.048 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.482 -1.463 -4.460 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.914 -1.225 -7.326 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.688 -3.792 -4.698 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.011 -3.208 -8.334 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.783 -5.774 -5.708 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.242 -6.536 -7.217 1.00 0.00 H new ATOM 521 N GLN A 36 -4.236 0.613 -2.932 1.00 0.00 N ATOM 522 CA GLN A 36 -4.693 0.496 -1.518 1.00 0.00 C ATOM 523 C GLN A 36 -5.419 -0.834 -1.315 1.00 0.00 C ATOM 524 O GLN A 36 -6.329 -1.174 -2.046 1.00 0.00 O ATOM 525 CB GLN A 36 -5.649 1.652 -1.206 1.00 0.00 C ATOM 526 CG GLN A 36 -6.220 1.485 0.204 1.00 0.00 C ATOM 527 CD GLN A 36 -7.699 1.883 0.207 1.00 0.00 C ATOM 528 OE1 GLN A 36 -8.522 1.205 0.789 1.00 0.00 O ATOM 529 NE2 GLN A 36 -8.073 2.964 -0.424 1.00 0.00 N ATOM 0 H GLN A 36 -4.501 1.481 -3.398 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.831 0.536 -0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.122 2.603 -1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.458 1.674 -1.936 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.110 0.451 0.532 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.664 2.104 0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.383 3.534 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.055 3.238 -0.428 1.00 0.00 H new ATOM 538 N ILE A 37 -5.036 -1.583 -0.319 1.00 0.00 N ATOM 539 CA ILE A 37 -5.717 -2.880 -0.062 1.00 0.00 C ATOM 540 C ILE A 37 -6.049 -2.988 1.429 1.00 0.00 C ATOM 541 O ILE A 37 -5.798 -2.083 2.200 1.00 0.00 O ATOM 542 CB ILE A 37 -4.814 -4.047 -0.493 1.00 0.00 C ATOM 543 CG1 ILE A 37 -3.801 -4.376 0.610 1.00 0.00 C ATOM 544 CG2 ILE A 37 -4.063 -3.668 -1.770 1.00 0.00 C ATOM 545 CD1 ILE A 37 -3.008 -3.119 0.972 1.00 0.00 C ATOM 0 H ILE A 37 -4.281 -1.352 0.327 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.639 -2.927 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.437 -4.922 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.318 -4.758 1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.124 -5.161 0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.423 -4.496 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.779 -3.452 -2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.451 -2.786 -1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.289 -3.356 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.478 -2.757 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.691 -2.348 1.327 1.00 0.00 H new ATOM 557 N CYS A 38 -6.610 -4.089 1.837 1.00 0.00 N ATOM 558 CA CYS A 38 -6.961 -4.264 3.270 1.00 0.00 C ATOM 559 C CYS A 38 -5.675 -4.387 4.093 1.00 0.00 C ATOM 560 O CYS A 38 -4.589 -4.457 3.555 1.00 0.00 O ATOM 561 CB CYS A 38 -7.826 -5.525 3.428 1.00 0.00 C ATOM 562 SG CYS A 38 -6.792 -7.012 3.352 1.00 0.00 S ATOM 0 H CYS A 38 -6.842 -4.880 1.236 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.526 -3.403 3.627 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.358 -5.492 4.379 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.580 -5.558 2.642 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.408 -7.935 2.675 1.00 0.00 H new ATOM 567 N ARG A 39 -5.788 -4.404 5.392 1.00 0.00 N ATOM 568 CA ARG A 39 -4.569 -4.512 6.242 1.00 0.00 C ATOM 569 C ARG A 39 -4.167 -5.981 6.394 1.00 0.00 C ATOM 570 O ARG A 39 -3.059 -6.291 6.782 1.00 0.00 O ATOM 571 CB ARG A 39 -4.858 -3.921 7.622 1.00 0.00 C ATOM 572 CG ARG A 39 -4.288 -2.504 7.702 1.00 0.00 C ATOM 573 CD ARG A 39 -5.044 -1.712 8.769 1.00 0.00 C ATOM 574 NE ARG A 39 -4.247 -1.689 10.026 1.00 0.00 N ATOM 575 CZ ARG A 39 -4.455 -0.755 10.913 1.00 0.00 C ATOM 576 NH1 ARG A 39 -5.140 -1.021 11.991 1.00 0.00 N ATOM 577 NH2 ARG A 39 -3.983 0.446 10.720 1.00 0.00 N ATOM 0 H ARG A 39 -6.670 -4.348 5.901 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.754 -3.964 5.770 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.933 -3.902 7.803 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.415 -4.547 8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.226 -2.541 7.945 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.377 -2.009 6.735 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.225 -0.695 8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.018 -2.165 8.952 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.538 -2.403 10.194 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.513 -1.959 12.140 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.303 -0.291 12.685 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.451 0.655 9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.146 1.176 11.414 1.00 0.00 H new ATOM 591 N PHE A 40 -5.057 -6.888 6.099 1.00 0.00 N ATOM 592 CA PHE A 40 -4.715 -8.332 6.237 1.00 0.00 C ATOM 593 C PHE A 40 -3.949 -8.802 4.998 1.00 0.00 C ATOM 594 O PHE A 40 -3.361 -9.867 4.987 1.00 0.00 O ATOM 595 CB PHE A 40 -5.998 -9.150 6.398 1.00 0.00 C ATOM 596 CG PHE A 40 -6.244 -9.397 7.868 1.00 0.00 C ATOM 597 CD1 PHE A 40 -6.793 -8.385 8.664 1.00 0.00 C ATOM 598 CD2 PHE A 40 -5.918 -10.635 8.435 1.00 0.00 C ATOM 599 CE1 PHE A 40 -7.018 -8.611 10.027 1.00 0.00 C ATOM 600 CE2 PHE A 40 -6.141 -10.860 9.799 1.00 0.00 C ATOM 601 CZ PHE A 40 -6.692 -9.847 10.595 1.00 0.00 C ATOM 0 H PHE A 40 -6.003 -6.693 5.770 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.088 -8.473 7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.842 -8.617 5.960 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.909 -10.098 5.867 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -7.043 -7.430 8.227 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.495 -11.416 7.821 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.444 -7.831 10.640 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -5.888 -11.814 10.237 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.865 -10.020 11.647 1.00 0.00 H new ATOM 611 N CYS A 41 -3.936 -8.012 3.960 1.00 0.00 N ATOM 612 CA CYS A 41 -3.191 -8.406 2.731 1.00 0.00 C ATOM 613 C CYS A 41 -1.764 -7.859 2.814 1.00 0.00 C ATOM 614 O CYS A 41 -0.843 -8.401 2.236 1.00 0.00 O ATOM 615 CB CYS A 41 -3.903 -7.847 1.493 1.00 0.00 C ATOM 616 SG CYS A 41 -5.092 -9.073 0.879 1.00 0.00 S ATOM 0 H CYS A 41 -4.409 -7.110 3.910 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.156 -9.493 2.652 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.417 -6.919 1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.175 -7.609 0.717 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.013 -8.474 0.184 1.00 0.00 H new ATOM 621 N TRP A 42 -1.575 -6.790 3.541 1.00 0.00 N ATOM 622 CA TRP A 42 -0.210 -6.207 3.676 1.00 0.00 C ATOM 623 C TRP A 42 0.547 -6.951 4.777 1.00 0.00 C ATOM 624 O TRP A 42 1.749 -7.115 4.718 1.00 0.00 O ATOM 625 CB TRP A 42 -0.322 -4.726 4.048 1.00 0.00 C ATOM 626 CG TRP A 42 1.035 -4.186 4.371 1.00 0.00 C ATOM 627 CD1 TRP A 42 2.029 -3.994 3.473 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.564 -3.764 5.662 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.132 -3.482 4.131 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.896 -3.323 5.482 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.022 -3.723 6.959 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.663 -2.857 6.549 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.791 -3.254 8.037 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.109 -2.822 7.832 1.00 0.00 C ATOM 0 H TRP A 42 -2.309 -6.295 4.048 1.00 0.00 H new ATOM 0 HA TRP A 42 0.325 -6.304 2.731 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.761 -4.165 3.222 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.986 -4.605 4.904 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.970 -4.206 2.416 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.014 -3.250 3.674 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.008 -4.054 7.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.678 -2.525 6.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.365 -3.226 9.029 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.696 -2.463 8.664 1.00 0.00 H new ATOM 645 N HIS A 43 -0.151 -7.407 5.782 1.00 0.00 N ATOM 646 CA HIS A 43 0.524 -8.145 6.886 1.00 0.00 C ATOM 647 C HIS A 43 1.040 -9.485 6.359 1.00 0.00 C ATOM 648 O HIS A 43 1.788 -10.177 7.023 1.00 0.00 O ATOM 649 CB HIS A 43 -0.475 -8.397 8.020 1.00 0.00 C ATOM 650 CG HIS A 43 -0.851 -7.090 8.662 1.00 0.00 C ATOM 651 ND1 HIS A 43 0.075 -6.083 8.889 1.00 0.00 N ATOM 652 CD2 HIS A 43 -2.050 -6.609 9.130 1.00 0.00 C ATOM 653 CE1 HIS A 43 -0.576 -5.058 9.471 1.00 0.00 C ATOM 654 NE2 HIS A 43 -1.873 -5.327 9.640 1.00 0.00 N ATOM 0 H HIS A 43 -1.160 -7.300 5.885 1.00 0.00 H new ATOM 0 HA HIS A 43 1.358 -7.553 7.261 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.365 -8.892 7.631 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.037 -9.065 8.762 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -2.987 -7.145 9.106 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.106 -4.131 9.765 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.582 -4.722 10.054 1.00 0.00 H new ATOM 662 N ARG A 44 0.646 -9.858 5.173 1.00 0.00 N ATOM 663 CA ARG A 44 1.112 -11.155 4.605 1.00 0.00 C ATOM 664 C ARG A 44 2.124 -10.890 3.487 1.00 0.00 C ATOM 665 O ARG A 44 2.938 -11.733 3.162 1.00 0.00 O ATOM 666 CB ARG A 44 -0.083 -11.923 4.039 1.00 0.00 C ATOM 667 CG ARG A 44 -0.215 -13.267 4.758 1.00 0.00 C ATOM 668 CD ARG A 44 0.422 -14.366 3.906 1.00 0.00 C ATOM 669 NE ARG A 44 0.064 -15.700 4.466 1.00 0.00 N ATOM 670 CZ ARG A 44 0.329 -16.788 3.792 1.00 0.00 C ATOM 671 NH1 ARG A 44 1.069 -16.729 2.718 1.00 0.00 N ATOM 672 NH2 ARG A 44 -0.146 -17.936 4.194 1.00 0.00 N ATOM 0 H ARG A 44 0.021 -9.321 4.572 1.00 0.00 H new ATOM 0 HA ARG A 44 1.585 -11.745 5.390 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.996 -11.340 4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.048 -12.083 2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.271 -13.220 5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.266 -13.494 4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.076 -14.288 2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.505 -14.246 3.889 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.389 -15.764 5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.441 -15.833 2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.275 -17.579 2.193 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.723 -17.983 5.033 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.060 -18.786 3.668 1.00 0.00 H new ATOM 686 N ILE A 45 2.077 -9.730 2.891 1.00 0.00 N ATOM 687 CA ILE A 45 3.034 -9.418 1.790 1.00 0.00 C ATOM 688 C ILE A 45 4.370 -8.950 2.377 1.00 0.00 C ATOM 689 O ILE A 45 5.426 -9.291 1.883 1.00 0.00 O ATOM 690 CB ILE A 45 2.452 -8.309 0.911 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.281 -8.865 0.098 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.531 -7.787 -0.040 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.437 -7.707 -0.435 1.00 0.00 C ATOM 0 H ILE A 45 1.418 -8.985 3.118 1.00 0.00 H new ATOM 0 HA ILE A 45 3.198 -10.315 1.193 1.00 0.00 H new ATOM 0 HB ILE A 45 2.102 -7.493 1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.653 -9.469 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.670 -9.519 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.114 -6.997 -0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.365 -7.390 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.884 -8.602 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.398 -8.102 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.054 -7.121 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.052 -7.071 -1.072 1.00 0.00 H new ATOM 705 N ARG A 46 4.331 -8.165 3.419 1.00 0.00 N ATOM 706 CA ARG A 46 5.600 -7.668 4.028 1.00 0.00 C ATOM 707 C ARG A 46 6.137 -8.699 5.023 1.00 0.00 C ATOM 708 O ARG A 46 7.075 -8.439 5.750 1.00 0.00 O ATOM 709 CB ARG A 46 5.329 -6.353 4.759 1.00 0.00 C ATOM 710 CG ARG A 46 6.310 -5.283 4.276 1.00 0.00 C ATOM 711 CD ARG A 46 6.638 -4.333 5.430 1.00 0.00 C ATOM 712 NE ARG A 46 8.114 -4.152 5.523 1.00 0.00 N ATOM 713 CZ ARG A 46 8.860 -5.108 6.005 1.00 0.00 C ATOM 714 NH1 ARG A 46 9.686 -5.750 5.224 1.00 0.00 N ATOM 715 NH2 ARG A 46 8.779 -5.423 7.269 1.00 0.00 N ATOM 0 H ARG A 46 3.476 -7.846 3.875 1.00 0.00 H new ATOM 0 HA ARG A 46 6.338 -7.508 3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.304 -6.029 4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.432 -6.496 5.835 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.222 -5.751 3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.877 -4.727 3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.153 -3.370 5.271 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.251 -4.735 6.366 1.00 0.00 H new ATOM 0 HE ARG A 46 8.541 -3.280 5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.749 -5.504 4.236 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.269 -6.497 5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.133 -4.922 7.879 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.362 -6.170 7.647 1.00 0.00 H new ATOM 729 N THR A 47 5.550 -9.862 5.072 1.00 0.00 N ATOM 730 CA THR A 47 6.035 -10.895 6.032 1.00 0.00 C ATOM 731 C THR A 47 6.280 -12.218 5.301 1.00 0.00 C ATOM 732 O THR A 47 7.115 -13.008 5.694 1.00 0.00 O ATOM 733 CB THR A 47 4.984 -11.103 7.126 1.00 0.00 C ATOM 734 OG1 THR A 47 5.547 -11.866 8.184 1.00 0.00 O ATOM 735 CG2 THR A 47 3.778 -11.840 6.543 1.00 0.00 C ATOM 0 H THR A 47 4.759 -10.142 4.492 1.00 0.00 H new ATOM 0 HA THR A 47 6.970 -10.558 6.479 1.00 0.00 H new ATOM 0 HB THR A 47 4.662 -10.135 7.511 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.875 -11.998 8.885 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.030 -11.988 7.322 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.347 -11.250 5.734 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.095 -12.808 6.157 1.00 0.00 H new ATOM 743 N ASP A 48 5.559 -12.469 4.242 1.00 0.00 N ATOM 744 CA ASP A 48 5.753 -13.743 3.493 1.00 0.00 C ATOM 745 C ASP A 48 6.023 -13.433 2.019 1.00 0.00 C ATOM 746 O ASP A 48 5.826 -14.264 1.156 1.00 0.00 O ATOM 747 CB ASP A 48 4.491 -14.600 3.610 1.00 0.00 C ATOM 748 CG ASP A 48 4.717 -15.699 4.652 1.00 0.00 C ATOM 749 OD1 ASP A 48 5.861 -16.074 4.847 1.00 0.00 O ATOM 750 OD2 ASP A 48 3.744 -16.145 5.235 1.00 0.00 O ATOM 0 H ASP A 48 4.845 -11.847 3.863 1.00 0.00 H new ATOM 0 HA ASP A 48 6.601 -14.285 3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.642 -13.980 3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.249 -15.044 2.644 1.00 0.00 H new ATOM 755 N GLU A 49 6.475 -12.244 1.723 1.00 0.00 N ATOM 756 CA GLU A 49 6.757 -11.888 0.304 1.00 0.00 C ATOM 757 C GLU A 49 7.963 -10.946 0.245 1.00 0.00 C ATOM 758 O GLU A 49 8.783 -10.914 1.141 1.00 0.00 O ATOM 759 CB GLU A 49 5.535 -11.194 -0.302 1.00 0.00 C ATOM 760 CG GLU A 49 5.091 -11.945 -1.560 1.00 0.00 C ATOM 761 CD GLU A 49 5.064 -10.980 -2.748 1.00 0.00 C ATOM 762 OE1 GLU A 49 4.437 -9.942 -2.627 1.00 0.00 O ATOM 763 OE2 GLU A 49 5.671 -11.297 -3.757 1.00 0.00 O ATOM 0 H GLU A 49 6.661 -11.506 2.402 1.00 0.00 H new ATOM 0 HA GLU A 49 6.976 -12.794 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.722 -11.167 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.776 -10.160 -0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.773 -12.770 -1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.103 -12.379 -1.408 1.00 0.00 H new ATOM 770 N ASN A 50 8.077 -10.178 -0.805 1.00 0.00 N ATOM 771 CA ASN A 50 9.230 -9.238 -0.922 1.00 0.00 C ATOM 772 C ASN A 50 8.795 -7.832 -0.504 1.00 0.00 C ATOM 773 O ASN A 50 9.532 -6.877 -0.644 1.00 0.00 O ATOM 774 CB ASN A 50 9.720 -9.207 -2.372 1.00 0.00 C ATOM 775 CG ASN A 50 11.244 -9.074 -2.389 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.951 -10.056 -2.494 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.783 -7.889 -2.292 1.00 0.00 N ATOM 0 H ASN A 50 7.422 -10.161 -1.587 1.00 0.00 H new ATOM 0 HA ASN A 50 10.036 -9.576 -0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.417 -10.117 -2.890 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.265 -8.372 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.798 -7.788 -2.304 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.189 -7.064 -2.204 1.00 0.00 H new ATOM 784 N GLY A 51 7.603 -7.696 0.011 1.00 0.00 N ATOM 785 CA GLY A 51 7.124 -6.350 0.437 1.00 0.00 C ATOM 786 C GLY A 51 7.056 -5.426 -0.779 1.00 0.00 C ATOM 787 O GLY A 51 7.150 -4.221 -0.661 1.00 0.00 O ATOM 0 H GLY A 51 6.941 -8.458 0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.141 -6.432 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.796 -5.933 1.187 1.00 0.00 H new ATOM 791 N LEU A 52 6.896 -5.980 -1.950 1.00 0.00 N ATOM 792 CA LEU A 52 6.827 -5.129 -3.172 1.00 0.00 C ATOM 793 C LEU A 52 5.364 -4.920 -3.569 1.00 0.00 C ATOM 794 O LEU A 52 4.460 -5.470 -2.974 1.00 0.00 O ATOM 795 CB LEU A 52 7.562 -5.819 -4.325 1.00 0.00 C ATOM 796 CG LEU A 52 9.074 -5.633 -4.174 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.770 -6.077 -5.463 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.392 -4.157 -3.913 1.00 0.00 C ATOM 0 H LEU A 52 6.810 -6.983 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 52 7.294 -4.167 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.318 -6.881 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.230 -5.405 -5.277 1.00 0.00 H new ATOM 0 HG LEU A 52 9.428 -6.233 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.847 -5.946 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.549 -7.127 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.410 -5.474 -6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.469 -4.030 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.037 -3.555 -4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.896 -3.834 -2.997 1.00 0.00 H new ATOM 810 N CYS A 53 5.131 -4.125 -4.577 1.00 0.00 N ATOM 811 CA CYS A 53 3.734 -3.869 -5.028 1.00 0.00 C ATOM 812 C CYS A 53 3.345 -4.892 -6.104 1.00 0.00 C ATOM 813 O CYS A 53 3.948 -4.933 -7.157 1.00 0.00 O ATOM 814 CB CYS A 53 3.647 -2.461 -5.620 1.00 0.00 C ATOM 815 SG CYS A 53 1.931 -2.088 -6.061 1.00 0.00 S ATOM 0 H CYS A 53 5.852 -3.639 -5.110 1.00 0.00 H new ATOM 0 HA CYS A 53 3.056 -3.958 -4.179 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.014 -1.730 -4.900 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.283 -2.387 -6.502 1.00 0.00 H new ATOM 0 HG CYS A 53 1.910 -1.213 -7.022 1.00 0.00 H new ATOM 820 N PRO A 54 2.342 -5.686 -5.815 1.00 0.00 N ATOM 821 CA PRO A 54 1.851 -6.709 -6.752 1.00 0.00 C ATOM 822 C PRO A 54 0.930 -6.072 -7.801 1.00 0.00 C ATOM 823 O PRO A 54 0.256 -6.757 -8.545 1.00 0.00 O ATOM 824 CB PRO A 54 1.066 -7.668 -5.854 1.00 0.00 C ATOM 825 CG PRO A 54 0.668 -6.860 -4.596 1.00 0.00 C ATOM 826 CD PRO A 54 1.613 -5.646 -4.531 1.00 0.00 C ATOM 0 HA PRO A 54 2.649 -7.204 -7.305 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.183 -8.046 -6.368 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.673 -8.532 -5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.372 -6.538 -4.656 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.761 -7.471 -3.698 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.058 -4.715 -4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.295 -5.717 -3.683 1.00 0.00 H new ATOM 834 N ALA A 55 0.890 -4.766 -7.860 1.00 0.00 N ATOM 835 CA ALA A 55 0.004 -4.093 -8.853 1.00 0.00 C ATOM 836 C ALA A 55 0.838 -3.232 -9.810 1.00 0.00 C ATOM 837 O ALA A 55 0.479 -3.047 -10.956 1.00 0.00 O ATOM 838 CB ALA A 55 -1.000 -3.201 -8.115 1.00 0.00 C ATOM 0 H ALA A 55 1.431 -4.139 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.526 -4.853 -9.428 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.649 -2.708 -8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.604 -3.811 -7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.463 -2.449 -7.538 1.00 0.00 H new ATOM 844 N CYS A 56 1.939 -2.694 -9.355 1.00 0.00 N ATOM 845 CA CYS A 56 2.768 -1.841 -10.256 1.00 0.00 C ATOM 846 C CYS A 56 4.260 -2.142 -10.052 1.00 0.00 C ATOM 847 O CYS A 56 5.114 -1.490 -10.617 1.00 0.00 O ATOM 848 CB CYS A 56 2.472 -0.357 -9.957 1.00 0.00 C ATOM 849 SG CYS A 56 3.533 0.262 -8.618 1.00 0.00 S ATOM 0 H CYS A 56 2.298 -2.807 -8.407 1.00 0.00 H new ATOM 0 HA CYS A 56 2.518 -2.058 -11.294 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.631 0.238 -10.856 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.424 -0.240 -9.679 1.00 0.00 H new ATOM 0 HG CYS A 56 3.927 1.469 -8.899 1.00 0.00 H new ATOM 854 N ARG A 57 4.579 -3.115 -9.246 1.00 0.00 N ATOM 855 CA ARG A 57 6.015 -3.440 -9.008 1.00 0.00 C ATOM 856 C ARG A 57 6.720 -2.216 -8.416 1.00 0.00 C ATOM 857 O ARG A 57 7.352 -1.450 -9.115 1.00 0.00 O ATOM 858 CB ARG A 57 6.683 -3.822 -10.331 1.00 0.00 C ATOM 859 CG ARG A 57 6.833 -5.343 -10.408 1.00 0.00 C ATOM 860 CD ARG A 57 7.892 -5.803 -9.404 1.00 0.00 C ATOM 861 NE ARG A 57 8.704 -6.900 -10.005 1.00 0.00 N ATOM 862 CZ ARG A 57 8.307 -8.139 -9.900 1.00 0.00 C ATOM 863 NH1 ARG A 57 7.968 -8.621 -8.735 1.00 0.00 N ATOM 864 NH2 ARG A 57 8.250 -8.897 -10.961 1.00 0.00 N ATOM 0 H ARG A 57 3.911 -3.699 -8.742 1.00 0.00 H new ATOM 0 HA ARG A 57 6.087 -4.277 -8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.086 -3.462 -11.169 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.660 -3.345 -10.408 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.879 -5.824 -10.193 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.120 -5.640 -11.417 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.536 -4.967 -9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.414 -6.150 -8.488 1.00 0.00 H new ATOM 0 HE ARG A 57 9.570 -6.682 -10.498 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.013 -8.029 -7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.658 -9.589 -8.654 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.516 -8.521 -11.871 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.940 -9.865 -10.880 1.00 0.00 H new ATOM 878 N LYS A 58 6.615 -2.034 -7.129 1.00 0.00 N ATOM 879 CA LYS A 58 7.273 -0.868 -6.475 1.00 0.00 C ATOM 880 C LYS A 58 7.487 -1.197 -4.996 1.00 0.00 C ATOM 881 O LYS A 58 6.729 -1.946 -4.417 1.00 0.00 O ATOM 882 CB LYS A 58 6.378 0.367 -6.603 1.00 0.00 C ATOM 883 CG LYS A 58 6.940 1.300 -7.678 1.00 0.00 C ATOM 884 CD LYS A 58 7.060 2.717 -7.111 1.00 0.00 C ATOM 885 CE LYS A 58 7.652 3.645 -8.173 1.00 0.00 C ATOM 886 NZ LYS A 58 9.005 3.158 -8.563 1.00 0.00 N ATOM 0 H LYS A 58 6.098 -2.647 -6.498 1.00 0.00 H new ATOM 0 HA LYS A 58 8.230 -0.662 -6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.363 0.067 -6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.322 0.889 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.916 0.945 -8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.288 1.300 -8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.080 3.080 -6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.693 2.712 -6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.000 3.678 -9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.718 4.662 -7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.551 3.942 -8.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.499 2.796 -7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.911 2.396 -9.264 1.00 0.00 H new ATOM 900 N PRO A 59 8.517 -0.640 -4.426 1.00 0.00 N ATOM 901 CA PRO A 59 8.851 -0.882 -3.014 1.00 0.00 C ATOM 902 C PRO A 59 7.898 -0.119 -2.090 1.00 0.00 C ATOM 903 O PRO A 59 7.727 1.079 -2.203 1.00 0.00 O ATOM 904 CB PRO A 59 10.286 -0.363 -2.891 1.00 0.00 C ATOM 905 CG PRO A 59 10.491 0.634 -4.056 1.00 0.00 C ATOM 906 CD PRO A 59 9.435 0.284 -5.122 1.00 0.00 C ATOM 0 HA PRO A 59 8.759 -1.929 -2.725 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.441 0.126 -1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.002 -1.183 -2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.370 1.662 -3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.498 0.551 -4.465 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.914 1.174 -5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.889 -0.186 -5.994 1.00 0.00 H new ATOM 914 N TYR A 60 7.271 -0.814 -1.180 1.00 0.00 N ATOM 915 CA TYR A 60 6.320 -0.147 -0.244 1.00 0.00 C ATOM 916 C TYR A 60 6.983 1.082 0.392 1.00 0.00 C ATOM 917 O TYR A 60 8.085 0.992 0.894 1.00 0.00 O ATOM 918 CB TYR A 60 5.929 -1.128 0.867 1.00 0.00 C ATOM 919 CG TYR A 60 5.096 -2.260 0.308 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.668 -2.240 -1.026 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.746 -3.336 1.135 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.895 -3.291 -1.530 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.973 -4.388 0.630 1.00 0.00 C ATOM 924 CZ TYR A 60 3.547 -4.366 -0.703 1.00 0.00 C ATOM 925 OH TYR A 60 2.784 -5.403 -1.201 1.00 0.00 O ATOM 0 H TYR A 60 7.377 -1.819 -1.044 1.00 0.00 H new ATOM 0 HA TYR A 60 5.435 0.164 -0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.826 -1.528 1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.368 -0.604 1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.935 -1.412 -1.666 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.073 -3.354 2.164 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.566 -3.273 -2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.705 -5.217 1.269 1.00 0.00 H new ATOM 0 HH TYR A 60 3.346 -5.987 -1.752 1.00 0.00 H new ATOM 935 N PRO A 61 6.287 2.196 0.365 1.00 0.00 N ATOM 936 CA PRO A 61 6.787 3.452 0.949 1.00 0.00 C ATOM 937 C PRO A 61 6.574 3.445 2.465 1.00 0.00 C ATOM 938 O PRO A 61 6.203 2.443 3.043 1.00 0.00 O ATOM 939 CB PRO A 61 5.922 4.527 0.284 1.00 0.00 C ATOM 940 CG PRO A 61 4.629 3.818 -0.182 1.00 0.00 C ATOM 941 CD PRO A 61 4.947 2.313 -0.252 1.00 0.00 C ATOM 0 HA PRO A 61 7.853 3.611 0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.694 5.330 0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.444 4.978 -0.560 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.812 4.008 0.514 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.313 4.192 -1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.207 1.724 0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.950 1.954 -1.281 1.00 0.00 H new