USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 16 CYS SG : rot 180:sc=-0.00313 USER MOD Single : B 19 TYR OH : rot 90:sc= 0.612 USER MOD Single : B 22 ASN : amide:sc= -1.04 X(o=-1,f=-0.77) USER MOD Single : B 30 LYS NZ :NH3+ -157:sc= 1.29 (180deg=1.15) USER MOD Single : B 37 SER OG : rot -84:sc= 0.838 USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 30:sc=-0.00401 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 1.11 (180deg=1.11) USER MOD Single : B 49 ASN : amide:sc= -0.0266 K(o=-0.027,f=-1.6!) USER MOD Single : B 72 SER OG : rot 84:sc= 0.28 USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N CYS B 16 12.701 -0.974 -0.128 1.00 0.00 N ATOM 139 CA CYS B 16 13.951 -0.399 -0.604 1.00 0.00 C ATOM 140 C CYS B 16 13.906 1.130 -0.671 1.00 0.00 C ATOM 141 O CYS B 16 14.829 1.746 -1.205 1.00 0.00 O ATOM 142 CB CYS B 16 14.293 -1.001 -1.969 1.00 0.00 C ATOM 143 SG CYS B 16 14.681 -2.759 -1.762 1.00 0.00 S ATOM 0 HA CYS B 16 14.734 -0.647 0.113 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.454 -0.879 -2.654 1.00 0.00 H new ATOM 0 HB3 CYS B 16 15.142 -0.478 -2.409 1.00 0.00 H new ATOM 0 HG CYS B 16 14.971 -3.279 -2.918 1.00 0.00 H new ATOM 149 N ARG B 17 12.846 1.749 -0.138 1.00 0.00 N ATOM 150 CA ARG B 17 12.745 3.202 -0.101 1.00 0.00 C ATOM 151 C ARG B 17 13.629 3.776 1.005 1.00 0.00 C ATOM 152 O ARG B 17 13.817 3.149 2.046 1.00 0.00 O ATOM 153 CB ARG B 17 11.292 3.639 0.106 1.00 0.00 C ATOM 154 CG ARG B 17 10.422 3.215 -1.076 1.00 0.00 C ATOM 155 CD ARG B 17 9.017 3.810 -0.942 1.00 0.00 C ATOM 156 NE ARG B 17 8.158 3.372 -2.045 1.00 0.00 N ATOM 157 CZ ARG B 17 6.848 3.139 -1.927 1.00 0.00 C ATOM 158 NH1 ARG B 17 6.223 3.329 -0.769 1.00 0.00 N ATOM 159 NH2 ARG B 17 6.155 2.716 -2.978 1.00 0.00 N ATOM 0 H ARG B 17 12.049 1.261 0.272 1.00 0.00 H new ATOM 0 HA ARG B 17 13.091 3.589 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG B 17 10.903 3.200 1.025 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.247 4.721 0.226 1.00 0.00 H new ATOM 0 HG2 ARG B 17 10.877 3.547 -2.009 1.00 0.00 H new ATOM 0 HG3 ARG B 17 10.361 2.128 -1.120 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.578 3.507 0.009 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.078 4.898 -0.933 1.00 0.00 H new ATOM 0 HE ARG B 17 8.587 3.236 -2.960 1.00 0.00 H new ATOM 0 HH11 ARG B 17 6.744 3.657 0.044 1.00 0.00 H new ATOM 0 HH12 ARG B 17 5.222 3.147 -0.694 1.00 0.00 H new ATOM 0 HH21 ARG B 17 6.623 2.570 -3.872 1.00 0.00 H new ATOM 0 HH22 ARG B 17 5.155 2.537 -2.891 1.00 0.00 H new ATOM 173 N ILE B 18 14.168 4.974 0.772 1.00 0.00 N ATOM 174 CA ILE B 18 14.915 5.722 1.775 1.00 0.00 C ATOM 175 C ILE B 18 14.474 7.180 1.750 1.00 0.00 C ATOM 176 O ILE B 18 13.782 7.614 0.829 1.00 0.00 O ATOM 177 CB ILE B 18 16.427 5.601 1.555 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.864 6.324 0.275 1.00 0.00 C ATOM 179 CG2 ILE B 18 16.847 4.131 1.521 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.385 6.444 0.215 1.00 0.00 C ATOM 0 H ILE B 18 14.096 5.453 -0.126 1.00 0.00 H new ATOM 0 HA ILE B 18 14.702 5.300 2.757 1.00 0.00 H new ATOM 0 HB ILE B 18 16.929 6.084 2.393 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.503 5.780 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.414 7.316 0.240 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.924 4.064 1.364 1.00 0.00 H new ATOM 0 HG22 ILE B 18 16.588 3.657 2.468 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.329 3.623 0.707 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.673 6.960 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.740 7.009 1.077 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.829 5.449 0.226 1.00 0.00 H new ATOM 192 N TYR B 19 14.884 7.928 2.773 1.00 0.00 N ATOM 193 CA TYR B 19 14.448 9.299 2.993 1.00 0.00 C ATOM 194 C TYR B 19 15.512 10.354 2.731 1.00 0.00 C ATOM 195 O TYR B 19 16.705 10.114 2.925 1.00 0.00 O ATOM 196 CB TYR B 19 13.770 9.443 4.360 1.00 0.00 C ATOM 197 CG TYR B 19 13.922 10.806 4.999 1.00 0.00 C ATOM 198 CD1 TYR B 19 12.942 11.795 4.821 1.00 0.00 C ATOM 199 CD2 TYR B 19 15.053 11.071 5.783 1.00 0.00 C ATOM 200 CE1 TYR B 19 13.083 13.044 5.445 1.00 0.00 C ATOM 201 CE2 TYR B 19 15.204 12.318 6.402 1.00 0.00 C ATOM 202 CZ TYR B 19 14.221 13.313 6.235 1.00 0.00 C ATOM 203 OH TYR B 19 14.376 14.523 6.844 1.00 0.00 O ATOM 0 H TYR B 19 15.537 7.591 3.480 1.00 0.00 H new ATOM 0 HA TYR B 19 13.699 9.507 2.228 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.708 9.225 4.249 1.00 0.00 H new ATOM 0 HB3 TYR B 19 14.180 8.692 5.035 1.00 0.00 H new ATOM 0 HD1 TYR B 19 12.079 11.595 4.203 1.00 0.00 H new ATOM 0 HD2 TYR B 19 15.810 10.311 5.910 1.00 0.00 H new ATOM 0 HE1 TYR B 19 12.321 13.799 5.321 1.00 0.00 H new ATOM 0 HE2 TYR B 19 16.075 12.517 7.008 1.00 0.00 H new ATOM 0 HH TYR B 19 13.970 14.495 7.735 1.00 0.00 H new ATOM 213 N VAL B 20 15.067 11.533 2.286 1.00 0.00 N ATOM 214 CA VAL B 20 15.928 12.670 2.007 1.00 0.00 C ATOM 215 C VAL B 20 15.291 13.951 2.541 1.00 0.00 C ATOM 216 O VAL B 20 14.083 14.138 2.409 1.00 0.00 O ATOM 217 CB VAL B 20 16.205 12.778 0.503 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.263 13.852 0.246 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.700 11.448 -0.067 1.00 0.00 C ATOM 0 H VAL B 20 14.080 11.720 2.109 1.00 0.00 H new ATOM 0 HA VAL B 20 16.882 12.524 2.513 1.00 0.00 H new ATOM 0 HB VAL B 20 15.270 13.044 0.010 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.456 13.924 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.904 14.812 0.616 1.00 0.00 H new ATOM 0 HG13 VAL B 20 18.185 13.586 0.763 1.00 0.00 H new ATOM 0 HG21 VAL B 20 16.887 11.557 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.623 11.158 0.436 1.00 0.00 H new ATOM 0 HG23 VAL B 20 15.943 10.680 0.092 1.00 0.00 H new ATOM 229 N GLY B 21 16.094 14.832 3.139 1.00 0.00 N ATOM 230 CA GLY B 21 15.586 16.058 3.733 1.00 0.00 C ATOM 231 C GLY B 21 16.637 17.165 3.719 1.00 0.00 C ATOM 232 O GLY B 21 17.782 16.943 3.321 1.00 0.00 O ATOM 0 H GLY B 21 17.104 14.713 3.222 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.702 16.388 3.188 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.274 15.864 4.759 1.00 0.00 H new ATOM 236 N ASN B 22 16.229 18.359 4.164 1.00 0.00 N ATOM 237 CA ASN B 22 17.055 19.559 4.139 1.00 0.00 C ATOM 238 C ASN B 22 17.481 19.915 2.712 1.00 0.00 C ATOM 239 O ASN B 22 18.513 20.552 2.513 1.00 0.00 O ATOM 240 CB ASN B 22 18.252 19.394 5.077 1.00 0.00 C ATOM 241 CG ASN B 22 18.936 20.728 5.338 1.00 0.00 C ATOM 242 OD1 ASN B 22 18.288 21.703 5.707 1.00 0.00 O ATOM 243 ND2 ASN B 22 20.251 20.780 5.151 1.00 0.00 N ATOM 0 H ASN B 22 15.301 18.515 4.556 1.00 0.00 H new ATOM 0 HA ASN B 22 16.462 20.399 4.501 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.920 18.962 6.021 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.966 18.696 4.640 1.00 0.00 H new ATOM 0 HD21 ASN B 22 20.755 21.651 5.315 1.00 0.00 H new ATOM 0 HD22 ASN B 22 20.756 19.949 4.844 1.00 0.00 H new ATOM 250 N LEU B 23 16.689 19.504 1.714 1.00 0.00 N ATOM 251 CA LEU B 23 16.957 19.851 0.327 1.00 0.00 C ATOM 252 C LEU B 23 16.823 21.365 0.147 1.00 0.00 C ATOM 253 O LEU B 23 16.074 22.004 0.884 1.00 0.00 O ATOM 254 CB LEU B 23 15.974 19.118 -0.593 1.00 0.00 C ATOM 255 CG LEU B 23 16.209 17.605 -0.585 1.00 0.00 C ATOM 256 CD1 LEU B 23 15.107 16.927 -1.394 1.00 0.00 C ATOM 257 CD2 LEU B 23 17.561 17.268 -1.212 1.00 0.00 C ATOM 0 H LEU B 23 15.857 18.930 1.849 1.00 0.00 H new ATOM 0 HA LEU B 23 17.971 19.548 0.065 1.00 0.00 H new ATOM 0 HB2 LEU B 23 14.953 19.329 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU B 23 16.077 19.497 -1.610 1.00 0.00 H new ATOM 0 HG LEU B 23 16.199 17.252 0.446 1.00 0.00 H new ATOM 0 HD11 LEU B 23 15.266 15.849 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU B 23 14.138 17.151 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU B 23 15.128 17.297 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU B 23 17.710 16.188 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU B 23 17.583 17.623 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU B 23 18.356 17.752 -0.644 1.00 0.00 H new ATOM 366 N LYS B 30 14.775 17.873 -11.264 1.00 0.00 N ATOM 367 CA LYS B 30 15.546 16.832 -11.925 1.00 0.00 C ATOM 368 C LYS B 30 16.876 16.599 -11.210 1.00 0.00 C ATOM 369 O LYS B 30 17.467 15.530 -11.344 1.00 0.00 O ATOM 370 CB LYS B 30 15.762 17.235 -13.390 1.00 0.00 C ATOM 371 CG LYS B 30 16.556 16.188 -14.181 1.00 0.00 C ATOM 372 CD LYS B 30 15.802 14.859 -14.249 1.00 0.00 C ATOM 373 CE LYS B 30 16.628 13.840 -15.032 1.00 0.00 C ATOM 374 NZ LYS B 30 15.892 12.572 -15.193 1.00 0.00 N ATOM 0 HA LYS B 30 14.998 15.891 -11.888 1.00 0.00 H new ATOM 0 HB2 LYS B 30 14.794 17.388 -13.867 1.00 0.00 H new ATOM 0 HB3 LYS B 30 16.289 18.188 -13.426 1.00 0.00 H new ATOM 0 HG2 LYS B 30 16.743 16.555 -15.190 1.00 0.00 H new ATOM 0 HG3 LYS B 30 17.528 16.034 -13.712 1.00 0.00 H new ATOM 0 HD2 LYS B 30 15.607 14.488 -13.243 1.00 0.00 H new ATOM 0 HD3 LYS B 30 14.834 15.003 -14.729 1.00 0.00 H new ATOM 0 HE2 LYS B 30 16.878 14.246 -16.012 1.00 0.00 H new ATOM 0 HE3 LYS B 30 17.569 13.655 -14.514 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 16.566 11.798 -15.361 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 15.347 12.375 -14.329 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 15.243 12.648 -16.002 1.00 0.00 H new ATOM 388 N ASP B 31 17.353 17.590 -10.449 1.00 0.00 N ATOM 389 CA ASP B 31 18.609 17.457 -9.723 1.00 0.00 C ATOM 390 C ASP B 31 18.526 16.421 -8.598 1.00 0.00 C ATOM 391 O ASP B 31 19.548 15.878 -8.175 1.00 0.00 O ATOM 392 CB ASP B 31 19.074 18.814 -9.202 1.00 0.00 C ATOM 393 CG ASP B 31 19.555 19.738 -10.325 1.00 0.00 C ATOM 394 OD1 ASP B 31 20.059 20.831 -9.985 1.00 0.00 O ATOM 395 OD2 ASP B 31 19.414 19.350 -11.506 1.00 0.00 O ATOM 0 H ASP B 31 16.886 18.488 -10.324 1.00 0.00 H new ATOM 0 HA ASP B 31 19.354 17.087 -10.427 1.00 0.00 H new ATOM 0 HB2 ASP B 31 18.255 19.294 -8.666 1.00 0.00 H new ATOM 0 HB3 ASP B 31 19.882 18.667 -8.485 1.00 0.00 H new ATOM 400 N ILE B 32 17.308 16.149 -8.121 1.00 0.00 N ATOM 401 CA ILE B 32 17.072 15.137 -7.102 1.00 0.00 C ATOM 402 C ILE B 32 17.266 13.738 -7.692 1.00 0.00 C ATOM 403 O ILE B 32 17.447 12.772 -6.954 1.00 0.00 O ATOM 404 CB ILE B 32 15.664 15.334 -6.520 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.323 14.283 -5.449 1.00 0.00 C ATOM 406 CG2 ILE B 32 14.609 15.241 -7.627 1.00 0.00 C ATOM 407 CD1 ILE B 32 16.315 14.339 -4.286 1.00 0.00 C ATOM 0 H ILE B 32 16.463 16.627 -8.434 1.00 0.00 H new ATOM 0 HA ILE B 32 17.792 15.241 -6.291 1.00 0.00 H new ATOM 0 HB ILE B 32 15.657 16.322 -6.060 1.00 0.00 H new ATOM 0 HG12 ILE B 32 14.312 14.453 -5.077 1.00 0.00 H new ATOM 0 HG13 ILE B 32 15.336 13.288 -5.894 1.00 0.00 H new ATOM 0 HG21 ILE B 32 13.617 15.383 -7.197 1.00 0.00 H new ATOM 0 HG22 ILE B 32 14.795 16.014 -8.373 1.00 0.00 H new ATOM 0 HG23 ILE B 32 14.663 14.260 -8.099 1.00 0.00 H new ATOM 0 HD11 ILE B 32 16.049 13.585 -3.545 1.00 0.00 H new ATOM 0 HD12 ILE B 32 17.321 14.144 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE B 32 16.282 15.327 -3.827 1.00 0.00 H new ATOM 419 N GLU B 33 17.233 13.622 -9.024 1.00 0.00 N ATOM 420 CA GLU B 33 17.479 12.365 -9.703 1.00 0.00 C ATOM 421 C GLU B 33 18.937 12.289 -10.143 1.00 0.00 C ATOM 422 O GLU B 33 19.481 11.199 -10.280 1.00 0.00 O ATOM 423 CB GLU B 33 16.565 12.251 -10.926 1.00 0.00 C ATOM 424 CG GLU B 33 15.092 12.344 -10.529 1.00 0.00 C ATOM 425 CD GLU B 33 14.164 12.045 -11.707 1.00 0.00 C ATOM 426 OE1 GLU B 33 12.935 12.012 -11.470 1.00 0.00 O ATOM 427 OE2 GLU B 33 14.688 11.857 -12.830 1.00 0.00 O ATOM 0 H GLU B 33 17.035 14.401 -9.652 1.00 0.00 H new ATOM 0 HA GLU B 33 17.269 11.543 -9.018 1.00 0.00 H new ATOM 0 HB2 GLU B 33 16.803 13.043 -11.636 1.00 0.00 H new ATOM 0 HB3 GLU B 33 16.748 11.303 -11.433 1.00 0.00 H new ATOM 0 HG2 GLU B 33 14.889 11.642 -9.720 1.00 0.00 H new ATOM 0 HG3 GLU B 33 14.882 13.342 -10.145 1.00 0.00 H new ATOM 434 N ASP B 34 19.569 13.444 -10.366 1.00 0.00 N ATOM 435 CA ASP B 34 20.941 13.496 -10.842 1.00 0.00 C ATOM 436 C ASP B 34 21.916 12.919 -9.817 1.00 0.00 C ATOM 437 O ASP B 34 22.745 12.072 -10.148 1.00 0.00 O ATOM 438 CB ASP B 34 21.292 14.942 -11.206 1.00 0.00 C ATOM 439 CG ASP B 34 22.764 15.114 -11.575 1.00 0.00 C ATOM 440 OD1 ASP B 34 23.279 16.236 -11.364 1.00 0.00 O ATOM 441 OD2 ASP B 34 23.361 14.132 -12.069 1.00 0.00 O ATOM 0 H ASP B 34 19.143 14.359 -10.221 1.00 0.00 H new ATOM 0 HA ASP B 34 21.031 12.875 -11.733 1.00 0.00 H new ATOM 0 HB2 ASP B 34 20.672 15.263 -12.043 1.00 0.00 H new ATOM 0 HB3 ASP B 34 21.054 15.593 -10.365 1.00 0.00 H new ATOM 446 N VAL B 35 21.815 13.372 -8.564 1.00 0.00 N ATOM 447 CA VAL B 35 22.714 12.915 -7.517 1.00 0.00 C ATOM 448 C VAL B 35 22.456 11.439 -7.208 1.00 0.00 C ATOM 449 O VAL B 35 23.395 10.657 -7.055 1.00 0.00 O ATOM 450 CB VAL B 35 22.519 13.770 -6.263 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.430 13.280 -5.138 1.00 0.00 C ATOM 452 CG2 VAL B 35 22.842 15.238 -6.569 1.00 0.00 C ATOM 0 H VAL B 35 21.120 14.053 -8.257 1.00 0.00 H new ATOM 0 HA VAL B 35 23.745 13.018 -7.856 1.00 0.00 H new ATOM 0 HB VAL B 35 21.479 13.684 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL B 35 23.280 13.898 -4.253 1.00 0.00 H new ATOM 0 HG12 VAL B 35 23.191 12.243 -4.901 1.00 0.00 H new ATOM 0 HG13 VAL B 35 24.470 13.349 -5.456 1.00 0.00 H new ATOM 0 HG21 VAL B 35 22.700 15.837 -5.670 1.00 0.00 H new ATOM 0 HG22 VAL B 35 23.877 15.321 -6.901 1.00 0.00 H new ATOM 0 HG23 VAL B 35 22.179 15.600 -7.355 1.00 0.00 H new ATOM 462 N PHE B 36 21.182 11.049 -7.115 1.00 0.00 N ATOM 463 CA PHE B 36 20.848 9.676 -6.779 1.00 0.00 C ATOM 464 C PHE B 36 21.064 8.676 -7.912 1.00 0.00 C ATOM 465 O PHE B 36 21.404 7.522 -7.656 1.00 0.00 O ATOM 466 CB PHE B 36 19.468 9.596 -6.137 1.00 0.00 C ATOM 467 CG PHE B 36 19.473 10.063 -4.697 1.00 0.00 C ATOM 468 CD1 PHE B 36 19.795 9.163 -3.673 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.167 11.393 -4.385 1.00 0.00 C ATOM 470 CE1 PHE B 36 19.815 9.595 -2.342 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.189 11.826 -3.055 1.00 0.00 C ATOM 472 CZ PHE B 36 19.518 10.927 -2.032 1.00 0.00 C ATOM 0 H PHE B 36 20.380 11.660 -7.267 1.00 0.00 H new ATOM 0 HA PHE B 36 21.572 9.354 -6.030 1.00 0.00 H new ATOM 0 HB2 PHE B 36 18.768 10.203 -6.711 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.109 8.568 -6.181 1.00 0.00 H new ATOM 0 HD1 PHE B 36 20.028 8.136 -3.911 1.00 0.00 H new ATOM 0 HD2 PHE B 36 18.913 12.086 -5.173 1.00 0.00 H new ATOM 0 HE1 PHE B 36 20.060 8.899 -1.553 1.00 0.00 H new ATOM 0 HE2 PHE B 36 18.953 12.853 -2.817 1.00 0.00 H new ATOM 0 HZ PHE B 36 19.542 11.262 -1.005 1.00 0.00 H new ATOM 482 N SER B 37 20.874 9.102 -9.164 1.00 0.00 N ATOM 483 CA SER B 37 21.166 8.227 -10.293 1.00 0.00 C ATOM 484 C SER B 37 22.673 8.022 -10.414 1.00 0.00 C ATOM 485 O SER B 37 23.111 7.029 -10.995 1.00 0.00 O ATOM 486 CB SER B 37 20.599 8.806 -11.591 1.00 0.00 C ATOM 487 OG SER B 37 21.285 9.994 -11.941 1.00 0.00 O ATOM 0 H SER B 37 20.527 10.028 -9.414 1.00 0.00 H new ATOM 0 HA SER B 37 20.690 7.262 -10.118 1.00 0.00 H new ATOM 0 HB2 SER B 37 20.691 8.075 -12.394 1.00 0.00 H new ATOM 0 HB3 SER B 37 19.536 9.014 -11.470 1.00 0.00 H new ATOM 0 HG SER B 37 20.895 10.752 -11.457 1.00 0.00 H new ATOM 493 N LYS B 38 23.474 8.946 -9.865 1.00 0.00 N ATOM 494 CA LYS B 38 24.918 8.772 -9.814 1.00 0.00 C ATOM 495 C LYS B 38 25.277 7.702 -8.781 1.00 0.00 C ATOM 496 O LYS B 38 26.239 6.963 -8.972 1.00 0.00 O ATOM 497 CB LYS B 38 25.584 10.110 -9.491 1.00 0.00 C ATOM 498 CG LYS B 38 27.107 9.964 -9.464 1.00 0.00 C ATOM 499 CD LYS B 38 27.751 11.332 -9.234 1.00 0.00 C ATOM 500 CE LYS B 38 29.270 11.182 -9.213 1.00 0.00 C ATOM 501 NZ LYS B 38 29.932 12.482 -8.999 1.00 0.00 N ATOM 0 H LYS B 38 23.140 9.817 -9.453 1.00 0.00 H new ATOM 0 HA LYS B 38 25.285 8.436 -10.784 1.00 0.00 H new ATOM 0 HB2 LYS B 38 25.298 10.853 -10.235 1.00 0.00 H new ATOM 0 HB3 LYS B 38 25.231 10.474 -8.526 1.00 0.00 H new ATOM 0 HG2 LYS B 38 27.402 9.275 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS B 38 27.458 9.539 -10.404 1.00 0.00 H new ATOM 0 HD2 LYS B 38 27.454 12.023 -10.023 1.00 0.00 H new ATOM 0 HD3 LYS B 38 27.404 11.756 -8.292 1.00 0.00 H new ATOM 0 HE2 LYS B 38 29.559 10.490 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS B 38 29.608 10.749 -10.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 30.963 12.349 -8.989 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 29.674 13.134 -9.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 29.626 12.882 -8.089 1.00 0.00 H new ATOM 515 N TYR B 39 24.503 7.618 -7.691 1.00 0.00 N ATOM 516 CA TYR B 39 24.637 6.512 -6.748 1.00 0.00 C ATOM 517 C TYR B 39 24.184 5.160 -7.304 1.00 0.00 C ATOM 518 O TYR B 39 24.561 4.115 -6.776 1.00 0.00 O ATOM 519 CB TYR B 39 23.981 6.840 -5.402 1.00 0.00 C ATOM 520 CG TYR B 39 24.813 7.767 -4.547 1.00 0.00 C ATOM 521 CD1 TYR B 39 24.467 9.124 -4.439 1.00 0.00 C ATOM 522 CD2 TYR B 39 25.932 7.270 -3.861 1.00 0.00 C ATOM 523 CE1 TYR B 39 25.254 9.993 -3.669 1.00 0.00 C ATOM 524 CE2 TYR B 39 26.727 8.134 -3.094 1.00 0.00 C ATOM 525 CZ TYR B 39 26.392 9.501 -2.998 1.00 0.00 C ATOM 526 OH TYR B 39 27.168 10.345 -2.261 1.00 0.00 O ATOM 0 H TYR B 39 23.784 8.299 -7.446 1.00 0.00 H new ATOM 0 HA TYR B 39 25.707 6.396 -6.576 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.007 7.296 -5.581 1.00 0.00 H new ATOM 0 HB3 TYR B 39 23.803 5.914 -4.856 1.00 0.00 H new ATOM 0 HD1 TYR B 39 23.593 9.499 -4.950 1.00 0.00 H new ATOM 0 HD2 TYR B 39 26.181 6.221 -3.924 1.00 0.00 H new ATOM 0 HE1 TYR B 39 24.989 11.037 -3.590 1.00 0.00 H new ATOM 0 HE2 TYR B 39 27.595 7.753 -2.577 1.00 0.00 H new ATOM 0 HH TYR B 39 26.614 11.069 -1.902 1.00 0.00 H new ATOM 536 N GLY B 40 23.380 5.186 -8.375 1.00 0.00 N ATOM 537 CA GLY B 40 23.015 3.992 -9.128 1.00 0.00 C ATOM 538 C GLY B 40 21.936 3.154 -8.435 1.00 0.00 C ATOM 539 O GLY B 40 21.601 3.380 -7.275 1.00 0.00 O ATOM 0 H GLY B 40 22.965 6.043 -8.741 1.00 0.00 H new ATOM 0 HA2 GLY B 40 22.660 4.286 -10.116 1.00 0.00 H new ATOM 0 HA3 GLY B 40 23.903 3.378 -9.278 1.00 0.00 H new ATOM 543 N ALA B 41 21.405 2.176 -9.177 1.00 0.00 N ATOM 544 CA ALA B 41 20.362 1.260 -8.724 1.00 0.00 C ATOM 545 C ALA B 41 19.069 1.961 -8.303 1.00 0.00 C ATOM 546 O ALA B 41 18.265 1.386 -7.570 1.00 0.00 O ATOM 547 CB ALA B 41 20.903 0.343 -7.631 1.00 0.00 C ATOM 0 H ALA B 41 21.700 1.998 -10.137 1.00 0.00 H new ATOM 0 HA ALA B 41 20.080 0.650 -9.582 1.00 0.00 H new ATOM 0 HB1 ALA B 41 20.115 -0.335 -7.302 1.00 0.00 H new ATOM 0 HB2 ALA B 41 21.740 -0.236 -8.023 1.00 0.00 H new ATOM 0 HB3 ALA B 41 21.241 0.944 -6.786 1.00 0.00 H new ATOM 553 N ILE B 42 18.861 3.197 -8.759 1.00 0.00 N ATOM 554 CA ILE B 42 17.601 3.899 -8.534 1.00 0.00 C ATOM 555 C ILE B 42 16.544 3.348 -9.484 1.00 0.00 C ATOM 556 O ILE B 42 16.833 3.072 -10.649 1.00 0.00 O ATOM 557 CB ILE B 42 17.790 5.413 -8.726 1.00 0.00 C ATOM 558 CG1 ILE B 42 18.194 6.084 -7.411 1.00 0.00 C ATOM 559 CG2 ILE B 42 16.492 6.082 -9.183 1.00 0.00 C ATOM 560 CD1 ILE B 42 19.436 5.439 -6.807 1.00 0.00 C ATOM 0 H ILE B 42 19.551 3.731 -9.287 1.00 0.00 H new ATOM 0 HA ILE B 42 17.268 3.737 -7.509 1.00 0.00 H new ATOM 0 HB ILE B 42 18.568 5.533 -9.480 1.00 0.00 H new ATOM 0 HG12 ILE B 42 18.383 7.143 -7.586 1.00 0.00 H new ATOM 0 HG13 ILE B 42 17.369 6.020 -6.701 1.00 0.00 H new ATOM 0 HG21 ILE B 42 16.659 7.152 -9.310 1.00 0.00 H new ATOM 0 HG22 ILE B 42 16.174 5.650 -10.132 1.00 0.00 H new ATOM 0 HG23 ILE B 42 15.717 5.922 -8.434 1.00 0.00 H new ATOM 0 HD11 ILE B 42 19.691 5.943 -5.875 1.00 0.00 H new ATOM 0 HD12 ILE B 42 19.239 4.386 -6.608 1.00 0.00 H new ATOM 0 HD13 ILE B 42 20.268 5.526 -7.506 1.00 0.00 H new ATOM 572 N ARG B 43 15.315 3.192 -8.984 1.00 0.00 N ATOM 573 CA ARG B 43 14.179 2.808 -9.808 1.00 0.00 C ATOM 574 C ARG B 43 13.079 3.862 -9.769 1.00 0.00 C ATOM 575 O ARG B 43 12.263 3.919 -10.684 1.00 0.00 O ATOM 576 CB ARG B 43 13.646 1.444 -9.354 1.00 0.00 C ATOM 577 CG ARG B 43 14.662 0.326 -9.622 1.00 0.00 C ATOM 578 CD ARG B 43 14.914 0.181 -11.125 1.00 0.00 C ATOM 579 NE ARG B 43 15.801 -0.951 -11.416 1.00 0.00 N ATOM 580 CZ ARG B 43 15.698 -1.720 -12.504 1.00 0.00 C ATOM 581 NH1 ARG B 43 14.757 -1.486 -13.418 1.00 0.00 N ATOM 582 NH2 ARG B 43 16.543 -2.729 -12.677 1.00 0.00 N ATOM 0 H ARG B 43 15.086 3.329 -8.000 1.00 0.00 H new ATOM 0 HA ARG B 43 14.515 2.731 -10.842 1.00 0.00 H new ATOM 0 HB2 ARG B 43 13.414 1.479 -8.290 1.00 0.00 H new ATOM 0 HB3 ARG B 43 12.715 1.224 -9.876 1.00 0.00 H new ATOM 0 HG2 ARG B 43 15.598 0.547 -9.110 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.291 -0.615 -9.217 1.00 0.00 H new ATOM 0 HD2 ARG B 43 13.965 0.043 -11.642 1.00 0.00 H new ATOM 0 HD3 ARG B 43 15.356 1.099 -11.511 1.00 0.00 H new ATOM 0 HE ARG B 43 16.541 -1.164 -10.747 1.00 0.00 H new ATOM 0 HH11 ARG B 43 14.104 -0.712 -13.292 1.00 0.00 H new ATOM 0 HH12 ARG B 43 14.689 -2.081 -14.244 1.00 0.00 H new ATOM 0 HH21 ARG B 43 17.266 -2.914 -11.982 1.00 0.00 H new ATOM 0 HH22 ARG B 43 16.469 -3.320 -13.505 1.00 0.00 H new ATOM 596 N ASP B 44 13.061 4.698 -8.723 1.00 0.00 N ATOM 597 CA ASP B 44 12.114 5.799 -8.588 1.00 0.00 C ATOM 598 C ASP B 44 12.580 6.904 -7.643 1.00 0.00 C ATOM 599 O ASP B 44 13.304 6.644 -6.682 1.00 0.00 O ATOM 600 CB ASP B 44 10.735 5.290 -8.155 1.00 0.00 C ATOM 601 CG ASP B 44 9.841 4.870 -9.321 1.00 0.00 C ATOM 602 OD1 ASP B 44 9.997 5.450 -10.420 1.00 0.00 O ATOM 603 OD2 ASP B 44 9.003 3.969 -9.092 1.00 0.00 O ATOM 0 H ASP B 44 13.712 4.624 -7.942 1.00 0.00 H new ATOM 0 HA ASP B 44 12.047 6.245 -9.580 1.00 0.00 H new ATOM 0 HB2 ASP B 44 10.865 4.441 -7.484 1.00 0.00 H new ATOM 0 HB3 ASP B 44 10.231 6.071 -7.586 1.00 0.00 H new ATOM 608 N ILE B 45 12.147 8.137 -7.928 1.00 0.00 N ATOM 609 CA ILE B 45 12.335 9.293 -7.060 1.00 0.00 C ATOM 610 C ILE B 45 10.954 9.840 -6.697 1.00 0.00 C ATOM 611 O ILE B 45 10.002 9.684 -7.463 1.00 0.00 O ATOM 612 CB ILE B 45 13.206 10.352 -7.762 1.00 0.00 C ATOM 613 CG1 ILE B 45 14.602 10.419 -7.131 1.00 0.00 C ATOM 614 CG2 ILE B 45 12.599 11.757 -7.673 1.00 0.00 C ATOM 615 CD1 ILE B 45 15.425 9.177 -7.470 1.00 0.00 C ATOM 0 H ILE B 45 11.646 8.358 -8.788 1.00 0.00 H new ATOM 0 HA ILE B 45 12.859 9.010 -6.147 1.00 0.00 H new ATOM 0 HB ILE B 45 13.264 10.044 -8.806 1.00 0.00 H new ATOM 0 HG12 ILE B 45 15.121 11.310 -7.485 1.00 0.00 H new ATOM 0 HG13 ILE B 45 14.510 10.513 -6.049 1.00 0.00 H new ATOM 0 HG21 ILE B 45 13.250 12.468 -8.182 1.00 0.00 H new ATOM 0 HG22 ILE B 45 11.617 11.760 -8.147 1.00 0.00 H new ATOM 0 HG23 ILE B 45 12.498 12.044 -6.626 1.00 0.00 H new ATOM 0 HD11 ILE B 45 16.409 9.255 -7.008 1.00 0.00 H new ATOM 0 HD12 ILE B 45 14.917 8.290 -7.093 1.00 0.00 H new ATOM 0 HD13 ILE B 45 15.537 9.099 -8.551 1.00 0.00 H new ATOM 627 N ASP B 46 10.840 10.482 -5.531 1.00 0.00 N ATOM 628 CA ASP B 46 9.581 11.044 -5.085 1.00 0.00 C ATOM 629 C ASP B 46 9.795 12.340 -4.305 1.00 0.00 C ATOM 630 O ASP B 46 9.757 12.352 -3.073 1.00 0.00 O ATOM 631 CB ASP B 46 8.839 9.993 -4.259 1.00 0.00 C ATOM 632 CG ASP B 46 7.511 10.509 -3.712 1.00 0.00 C ATOM 633 OD1 ASP B 46 7.043 11.560 -4.204 1.00 0.00 O ATOM 634 OD2 ASP B 46 6.971 9.842 -2.798 1.00 0.00 O ATOM 0 H ASP B 46 11.614 10.621 -4.882 1.00 0.00 H new ATOM 0 HA ASP B 46 8.972 11.308 -5.949 1.00 0.00 H new ATOM 0 HB2 ASP B 46 8.657 9.113 -4.876 1.00 0.00 H new ATOM 0 HB3 ASP B 46 9.471 9.675 -3.430 1.00 0.00 H new ATOM 639 N LEU B 47 10.023 13.440 -5.032 1.00 0.00 N ATOM 640 CA LEU B 47 10.074 14.769 -4.443 1.00 0.00 C ATOM 641 C LEU B 47 8.686 15.132 -3.910 1.00 0.00 C ATOM 642 O LEU B 47 7.686 14.902 -4.590 1.00 0.00 O ATOM 643 CB LEU B 47 10.558 15.762 -5.505 1.00 0.00 C ATOM 644 CG LEU B 47 10.540 17.208 -4.998 1.00 0.00 C ATOM 645 CD1 LEU B 47 11.562 17.397 -3.881 1.00 0.00 C ATOM 646 CD2 LEU B 47 10.895 18.143 -6.154 1.00 0.00 C ATOM 0 H LEU B 47 10.176 13.427 -6.040 1.00 0.00 H new ATOM 0 HA LEU B 47 10.772 14.801 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.571 15.499 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU B 47 9.926 15.681 -6.390 1.00 0.00 H new ATOM 0 HG LEU B 47 9.546 17.434 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU B 47 11.535 18.430 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU B 47 11.324 16.729 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU B 47 12.559 17.167 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU B 47 10.885 19.175 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU B 47 11.888 17.897 -6.529 1.00 0.00 H new ATOM 0 HD23 LEU B 47 10.165 18.025 -6.955 1.00 0.00 H new ATOM 658 N LYS B 48 8.620 15.697 -2.701 1.00 0.00 N ATOM 659 CA LYS B 48 7.348 15.950 -2.036 1.00 0.00 C ATOM 660 C LYS B 48 7.467 17.147 -1.091 1.00 0.00 C ATOM 661 O LYS B 48 8.570 17.614 -0.811 1.00 0.00 O ATOM 662 CB LYS B 48 6.953 14.678 -1.272 1.00 0.00 C ATOM 663 CG LYS B 48 5.440 14.596 -1.045 1.00 0.00 C ATOM 664 CD LYS B 48 5.100 13.466 -0.066 1.00 0.00 C ATOM 665 CE LYS B 48 5.698 12.123 -0.502 1.00 0.00 C ATOM 666 NZ LYS B 48 5.188 11.703 -1.821 1.00 0.00 N ATOM 0 H LYS B 48 9.438 15.987 -2.165 1.00 0.00 H new ATOM 0 HA LYS B 48 6.578 16.194 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS B 48 7.285 13.802 -1.829 1.00 0.00 H new ATOM 0 HB3 LYS B 48 7.466 14.658 -0.311 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.074 15.545 -0.654 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.933 14.426 -1.995 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.472 13.723 0.926 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.017 13.371 0.014 1.00 0.00 H new ATOM 0 HE2 LYS B 48 6.784 12.203 -0.540 1.00 0.00 H new ATOM 0 HE3 LYS B 48 5.461 11.361 0.240 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 5.614 10.791 -2.084 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 4.154 11.602 -1.777 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 5.436 12.419 -2.533 1.00 0.00 H new ATOM 680 N ASN B 49 6.335 17.647 -0.596 1.00 0.00 N ATOM 681 CA ASN B 49 6.322 18.719 0.384 1.00 0.00 C ATOM 682 C ASN B 49 5.026 18.661 1.196 1.00 0.00 C ATOM 683 O ASN B 49 4.028 18.107 0.738 1.00 0.00 O ATOM 684 CB ASN B 49 6.461 20.067 -0.329 1.00 0.00 C ATOM 685 CG ASN B 49 6.728 21.195 0.658 1.00 0.00 C ATOM 686 OD1 ASN B 49 7.128 20.956 1.793 1.00 0.00 O ATOM 687 ND2 ASN B 49 6.507 22.432 0.226 1.00 0.00 N ATOM 0 H ASN B 49 5.408 17.318 -0.865 1.00 0.00 H new ATOM 0 HA ASN B 49 7.162 18.602 1.069 1.00 0.00 H new ATOM 0 HB2 ASN B 49 7.275 20.015 -1.053 1.00 0.00 H new ATOM 0 HB3 ASN B 49 5.550 20.280 -0.888 1.00 0.00 H new ATOM 0 HD21 ASN B 49 6.670 23.225 0.846 1.00 0.00 H new ATOM 0 HD22 ASN B 49 6.174 22.588 -0.726 1.00 0.00 H new ATOM 770 N PRO B 55 11.745 21.662 1.027 1.00 0.00 N ATOM 771 CA PRO B 55 11.168 20.417 0.553 1.00 0.00 C ATOM 772 C PRO B 55 11.953 19.211 1.072 1.00 0.00 C ATOM 773 O PRO B 55 13.010 19.359 1.687 1.00 0.00 O ATOM 774 CB PRO B 55 11.242 20.498 -0.973 1.00 0.00 C ATOM 775 CG PRO B 55 12.432 21.428 -1.233 1.00 0.00 C ATOM 776 CD PRO B 55 12.417 22.379 -0.040 1.00 0.00 C ATOM 0 HA PRO B 55 10.145 20.287 0.907 1.00 0.00 H new ATOM 0 HB2 PRO B 55 11.397 19.515 -1.419 1.00 0.00 H new ATOM 0 HB3 PRO B 55 10.321 20.898 -1.397 1.00 0.00 H new ATOM 0 HG2 PRO B 55 13.368 20.873 -1.291 1.00 0.00 H new ATOM 0 HG3 PRO B 55 12.322 21.966 -2.175 1.00 0.00 H new ATOM 0 HD2 PRO B 55 13.430 22.656 0.252 1.00 0.00 H new ATOM 0 HD3 PRO B 55 11.891 23.303 -0.282 1.00 0.00 H new ATOM 784 N PHE B 56 11.426 18.011 0.820 1.00 0.00 N ATOM 785 CA PHE B 56 12.075 16.766 1.211 1.00 0.00 C ATOM 786 C PHE B 56 11.654 15.748 0.145 1.00 0.00 C ATOM 787 O PHE B 56 10.804 16.043 -0.693 1.00 0.00 O ATOM 788 CB PHE B 56 11.566 16.363 2.600 1.00 0.00 C ATOM 789 CG PHE B 56 10.315 15.513 2.614 1.00 0.00 C ATOM 790 CD1 PHE B 56 9.084 16.032 2.183 1.00 0.00 C ATOM 791 CD2 PHE B 56 10.390 14.193 3.081 1.00 0.00 C ATOM 792 CE1 PHE B 56 7.934 15.227 2.222 1.00 0.00 C ATOM 793 CE2 PHE B 56 9.237 13.401 3.146 1.00 0.00 C ATOM 794 CZ PHE B 56 8.015 13.913 2.702 1.00 0.00 C ATOM 0 H PHE B 56 10.536 17.879 0.339 1.00 0.00 H new ATOM 0 HA PHE B 56 13.161 16.841 1.271 1.00 0.00 H new ATOM 0 HB2 PHE B 56 12.359 15.820 3.115 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.375 17.269 3.175 1.00 0.00 H new ATOM 0 HD1 PHE B 56 9.021 17.048 1.822 1.00 0.00 H new ATOM 0 HD2 PHE B 56 11.341 13.786 3.392 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.987 15.621 1.882 1.00 0.00 H new ATOM 0 HE2 PHE B 56 9.292 12.396 3.539 1.00 0.00 H new ATOM 0 HZ PHE B 56 7.130 13.294 2.729 1.00 0.00 H new ATOM 804 N ALA B 57 12.245 14.551 0.164 1.00 0.00 N ATOM 805 CA ALA B 57 11.978 13.585 -0.887 1.00 0.00 C ATOM 806 C ALA B 57 12.230 12.156 -0.424 1.00 0.00 C ATOM 807 O ALA B 57 12.807 11.920 0.639 1.00 0.00 O ATOM 808 CB ALA B 57 12.863 13.914 -2.092 1.00 0.00 C ATOM 0 H ALA B 57 12.898 14.238 0.883 1.00 0.00 H new ATOM 0 HA ALA B 57 10.925 13.651 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.673 13.196 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.636 14.919 -2.447 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.911 13.861 -1.799 1.00 0.00 H new ATOM 814 N PHE B 58 11.794 11.201 -1.247 1.00 0.00 N ATOM 815 CA PHE B 58 12.105 9.794 -1.067 1.00 0.00 C ATOM 816 C PHE B 58 12.813 9.234 -2.292 1.00 0.00 C ATOM 817 O PHE B 58 12.684 9.777 -3.392 1.00 0.00 O ATOM 818 CB PHE B 58 10.840 8.999 -0.730 1.00 0.00 C ATOM 819 CG PHE B 58 10.251 9.340 0.618 1.00 0.00 C ATOM 820 CD1 PHE B 58 9.140 10.190 0.694 1.00 0.00 C ATOM 821 CD2 PHE B 58 10.809 8.805 1.787 1.00 0.00 C ATOM 822 CE1 PHE B 58 8.609 10.531 1.947 1.00 0.00 C ATOM 823 CE2 PHE B 58 10.264 9.129 3.035 1.00 0.00 C ATOM 824 CZ PHE B 58 9.170 9.997 3.115 1.00 0.00 C ATOM 0 H PHE B 58 11.211 11.391 -2.062 1.00 0.00 H new ATOM 0 HA PHE B 58 12.789 9.697 -0.224 1.00 0.00 H new ATOM 0 HB2 PHE B 58 10.091 9.181 -1.501 1.00 0.00 H new ATOM 0 HB3 PHE B 58 11.073 7.934 -0.756 1.00 0.00 H new ATOM 0 HD1 PHE B 58 8.694 10.581 -0.208 1.00 0.00 H new ATOM 0 HD2 PHE B 58 11.660 8.143 1.725 1.00 0.00 H new ATOM 0 HE1 PHE B 58 7.768 11.205 2.011 1.00 0.00 H new ATOM 0 HE2 PHE B 58 10.688 8.709 3.935 1.00 0.00 H new ATOM 0 HZ PHE B 58 8.757 10.256 4.079 1.00 0.00 H new ATOM 834 N VAL B 59 13.560 8.145 -2.103 1.00 0.00 N ATOM 835 CA VAL B 59 14.286 7.491 -3.180 1.00 0.00 C ATOM 836 C VAL B 59 14.055 5.992 -3.059 1.00 0.00 C ATOM 837 O VAL B 59 14.036 5.463 -1.950 1.00 0.00 O ATOM 838 CB VAL B 59 15.775 7.833 -3.078 1.00 0.00 C ATOM 839 CG1 VAL B 59 16.562 7.076 -4.145 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.986 9.334 -3.275 1.00 0.00 C ATOM 0 H VAL B 59 13.675 7.695 -1.195 1.00 0.00 H new ATOM 0 HA VAL B 59 13.933 7.833 -4.153 1.00 0.00 H new ATOM 0 HB VAL B 59 16.128 7.542 -2.089 1.00 0.00 H new ATOM 0 HG11 VAL B 59 17.620 7.327 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL B 59 16.431 6.003 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL B 59 16.198 7.357 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL B 59 17.049 9.565 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL B 59 15.619 9.627 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL B 59 15.441 9.882 -2.507 1.00 0.00 H new ATOM 850 N GLU B 60 13.876 5.304 -4.186 1.00 0.00 N ATOM 851 CA GLU B 60 13.541 3.891 -4.171 1.00 0.00 C ATOM 852 C GLU B 60 14.553 3.094 -4.980 1.00 0.00 C ATOM 853 O GLU B 60 14.675 3.269 -6.196 1.00 0.00 O ATOM 854 CB GLU B 60 12.110 3.706 -4.677 1.00 0.00 C ATOM 855 CG GLU B 60 11.696 2.235 -4.601 1.00 0.00 C ATOM 856 CD GLU B 60 10.175 2.063 -4.664 1.00 0.00 C ATOM 857 OE1 GLU B 60 9.463 3.091 -4.567 1.00 0.00 O ATOM 858 OE2 GLU B 60 9.737 0.901 -4.806 1.00 0.00 O ATOM 0 H GLU B 60 13.959 5.708 -5.119 1.00 0.00 H new ATOM 0 HA GLU B 60 13.588 3.508 -3.152 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.427 4.312 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU B 60 12.034 4.058 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.157 1.686 -5.422 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.072 1.800 -3.675 1.00 0.00 H new ATOM 865 N PHE B 61 15.283 2.212 -4.291 1.00 0.00 N ATOM 866 CA PHE B 61 16.331 1.404 -4.892 1.00 0.00 C ATOM 867 C PHE B 61 15.859 0.050 -5.409 1.00 0.00 C ATOM 868 O PHE B 61 14.797 -0.435 -5.018 1.00 0.00 O ATOM 869 CB PHE B 61 17.498 1.241 -3.914 1.00 0.00 C ATOM 870 CG PHE B 61 18.364 2.472 -3.771 1.00 0.00 C ATOM 871 CD1 PHE B 61 17.898 3.582 -3.052 1.00 0.00 C ATOM 872 CD2 PHE B 61 19.642 2.499 -4.349 1.00 0.00 C ATOM 873 CE1 PHE B 61 18.703 4.721 -2.923 1.00 0.00 C ATOM 874 CE2 PHE B 61 20.448 3.636 -4.215 1.00 0.00 C ATOM 875 CZ PHE B 61 19.980 4.748 -3.502 1.00 0.00 C ATOM 0 H PHE B 61 15.157 2.042 -3.293 1.00 0.00 H new ATOM 0 HA PHE B 61 16.664 1.948 -5.776 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.102 0.974 -2.934 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.120 0.409 -4.244 1.00 0.00 H new ATOM 0 HD1 PHE B 61 16.918 3.559 -2.598 1.00 0.00 H new ATOM 0 HD2 PHE B 61 20.004 1.642 -4.898 1.00 0.00 H new ATOM 0 HE1 PHE B 61 18.340 5.579 -2.377 1.00 0.00 H new ATOM 0 HE2 PHE B 61 21.431 3.656 -4.661 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.602 5.625 -3.399 1.00 0.00 H new ATOM 885 N GLU B 62 16.652 -0.569 -6.286 1.00 0.00 N ATOM 886 CA GLU B 62 16.428 -1.944 -6.705 1.00 0.00 C ATOM 887 C GLU B 62 16.869 -2.899 -5.593 1.00 0.00 C ATOM 888 O GLU B 62 16.335 -4.003 -5.470 1.00 0.00 O ATOM 889 CB GLU B 62 17.205 -2.205 -8.001 1.00 0.00 C ATOM 890 CG GLU B 62 17.097 -3.674 -8.414 1.00 0.00 C ATOM 891 CD GLU B 62 17.738 -3.924 -9.778 1.00 0.00 C ATOM 892 OE1 GLU B 62 18.132 -2.933 -10.432 1.00 0.00 O ATOM 893 OE2 GLU B 62 17.825 -5.115 -10.159 1.00 0.00 O ATOM 0 H GLU B 62 17.463 -0.129 -6.721 1.00 0.00 H new ATOM 0 HA GLU B 62 15.368 -2.113 -6.894 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.817 -1.570 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU B 62 18.253 -1.938 -7.862 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.581 -4.300 -7.664 1.00 0.00 H new ATOM 0 HG3 GLU B 62 16.048 -3.967 -8.445 1.00 0.00 H new ATOM 900 N ASP B 63 17.843 -2.469 -4.782 1.00 0.00 N ATOM 901 CA ASP B 63 18.328 -3.231 -3.641 1.00 0.00 C ATOM 902 C ASP B 63 18.944 -2.320 -2.572 1.00 0.00 C ATOM 903 O ASP B 63 19.443 -1.244 -2.896 1.00 0.00 O ATOM 904 CB ASP B 63 19.312 -4.322 -4.092 1.00 0.00 C ATOM 905 CG ASP B 63 20.409 -3.814 -5.032 1.00 0.00 C ATOM 906 OD1 ASP B 63 21.079 -4.685 -5.635 1.00 0.00 O ATOM 907 OD2 ASP B 63 20.573 -2.580 -5.147 1.00 0.00 O ATOM 0 H ASP B 63 18.316 -1.574 -4.906 1.00 0.00 H new ATOM 0 HA ASP B 63 17.471 -3.724 -3.181 1.00 0.00 H new ATOM 0 HB2 ASP B 63 19.777 -4.765 -3.212 1.00 0.00 H new ATOM 0 HB3 ASP B 63 18.756 -5.115 -4.592 1.00 0.00 H new ATOM 912 N PRO B 64 18.916 -2.741 -1.300 1.00 0.00 N ATOM 913 CA PRO B 64 19.471 -1.978 -0.197 1.00 0.00 C ATOM 914 C PRO B 64 21.002 -1.962 -0.242 1.00 0.00 C ATOM 915 O PRO B 64 21.627 -1.242 0.535 1.00 0.00 O ATOM 916 CB PRO B 64 18.969 -2.675 1.066 1.00 0.00 C ATOM 917 CG PRO B 64 18.741 -4.118 0.621 1.00 0.00 C ATOM 918 CD PRO B 64 18.336 -3.988 -0.839 1.00 0.00 C ATOM 0 HA PRO B 64 19.161 -0.934 -0.237 1.00 0.00 H new ATOM 0 HB2 PRO B 64 19.700 -2.616 1.873 1.00 0.00 H new ATOM 0 HB3 PRO B 64 18.050 -2.220 1.435 1.00 0.00 H new ATOM 0 HG2 PRO B 64 19.644 -4.719 0.734 1.00 0.00 H new ATOM 0 HG3 PRO B 64 17.961 -4.600 1.211 1.00 0.00 H new ATOM 0 HD2 PRO B 64 18.705 -4.831 -1.424 1.00 0.00 H new ATOM 0 HD3 PRO B 64 17.251 -3.977 -0.945 1.00 0.00 H new ATOM 926 N ARG B 65 21.603 -2.749 -1.143 1.00 0.00 N ATOM 927 CA ARG B 65 23.052 -2.863 -1.238 1.00 0.00 C ATOM 928 C ARG B 65 23.686 -1.542 -1.665 1.00 0.00 C ATOM 929 O ARG B 65 24.748 -1.180 -1.159 1.00 0.00 O ATOM 930 CB ARG B 65 23.390 -3.980 -2.228 1.00 0.00 C ATOM 931 CG ARG B 65 24.906 -4.110 -2.405 1.00 0.00 C ATOM 932 CD ARG B 65 25.221 -5.241 -3.386 1.00 0.00 C ATOM 933 NE ARG B 65 24.797 -6.545 -2.856 1.00 0.00 N ATOM 934 CZ ARG B 65 23.801 -7.278 -3.364 1.00 0.00 C ATOM 935 NH1 ARG B 65 23.093 -6.843 -4.404 1.00 0.00 N ATOM 936 NH2 ARG B 65 23.510 -8.461 -2.828 1.00 0.00 N ATOM 0 H ARG B 65 21.096 -3.319 -1.820 1.00 0.00 H new ATOM 0 HA ARG B 65 23.460 -3.107 -0.257 1.00 0.00 H new ATOM 0 HB2 ARG B 65 22.979 -4.924 -1.872 1.00 0.00 H new ATOM 0 HB3 ARG B 65 22.923 -3.772 -3.191 1.00 0.00 H new ATOM 0 HG2 ARG B 65 25.320 -3.171 -2.774 1.00 0.00 H new ATOM 0 HG3 ARG B 65 25.377 -4.310 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG B 65 24.719 -5.052 -4.335 1.00 0.00 H new ATOM 0 HD3 ARG B 65 26.292 -5.260 -3.590 1.00 0.00 H new ATOM 0 HE ARG B 65 25.296 -6.915 -2.047 1.00 0.00 H new ATOM 0 HH11 ARG B 65 23.307 -5.939 -4.825 1.00 0.00 H new ATOM 0 HH12 ARG B 65 22.336 -7.414 -4.780 1.00 0.00 H new ATOM 0 HH21 ARG B 65 24.046 -8.806 -2.032 1.00 0.00 H new ATOM 0 HH22 ARG B 65 22.751 -9.023 -3.213 1.00 0.00 H new ATOM 950 N ASP B 66 23.043 -0.822 -2.587 1.00 0.00 N ATOM 951 CA ASP B 66 23.542 0.463 -3.058 1.00 0.00 C ATOM 952 C ASP B 66 22.937 1.645 -2.307 1.00 0.00 C ATOM 953 O ASP B 66 23.473 2.754 -2.346 1.00 0.00 O ATOM 954 CB ASP B 66 23.331 0.591 -4.569 1.00 0.00 C ATOM 955 CG ASP B 66 24.259 -0.329 -5.368 1.00 0.00 C ATOM 956 OD1 ASP B 66 24.173 -0.280 -6.616 1.00 0.00 O ATOM 957 OD2 ASP B 66 25.042 -1.071 -4.729 1.00 0.00 O ATOM 0 H ASP B 66 22.168 -1.114 -3.023 1.00 0.00 H new ATOM 0 HA ASP B 66 24.611 0.492 -2.849 1.00 0.00 H new ATOM 0 HB2 ASP B 66 22.294 0.355 -4.810 1.00 0.00 H new ATOM 0 HB3 ASP B 66 23.501 1.625 -4.871 1.00 0.00 H new ATOM 962 N ALA B 67 21.815 1.415 -1.619 1.00 0.00 N ATOM 963 CA ALA B 67 21.168 2.461 -0.846 1.00 0.00 C ATOM 964 C ALA B 67 22.059 2.865 0.330 1.00 0.00 C ATOM 965 O ALA B 67 21.986 3.997 0.799 1.00 0.00 O ATOM 966 CB ALA B 67 19.817 1.953 -0.352 1.00 0.00 C ATOM 0 H ALA B 67 21.342 0.512 -1.586 1.00 0.00 H new ATOM 0 HA ALA B 67 21.009 3.340 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA B 67 19.325 2.733 0.229 1.00 0.00 H new ATOM 0 HB2 ALA B 67 19.193 1.689 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA B 67 19.966 1.073 0.274 1.00 0.00 H new ATOM 972 N GLU B 68 22.901 1.940 0.807 1.00 0.00 N ATOM 973 CA GLU B 68 23.811 2.218 1.907 1.00 0.00 C ATOM 974 C GLU B 68 24.899 3.199 1.465 1.00 0.00 C ATOM 975 O GLU B 68 25.393 3.979 2.276 1.00 0.00 O ATOM 976 CB GLU B 68 24.424 0.895 2.385 1.00 0.00 C ATOM 977 CG GLU B 68 25.431 1.134 3.515 1.00 0.00 C ATOM 978 CD GLU B 68 25.973 -0.182 4.077 1.00 0.00 C ATOM 979 OE1 GLU B 68 26.869 -0.102 4.950 1.00 0.00 O ATOM 980 OE2 GLU B 68 25.496 -1.253 3.637 1.00 0.00 O ATOM 0 H GLU B 68 22.965 0.990 0.441 1.00 0.00 H new ATOM 0 HA GLU B 68 23.267 2.681 2.730 1.00 0.00 H new ATOM 0 HB2 GLU B 68 23.634 0.228 2.731 1.00 0.00 H new ATOM 0 HB3 GLU B 68 24.919 0.397 1.551 1.00 0.00 H new ATOM 0 HG2 GLU B 68 26.258 1.739 3.144 1.00 0.00 H new ATOM 0 HG3 GLU B 68 24.954 1.702 4.314 1.00 0.00 H new ATOM 987 N ASP B 69 25.267 3.166 0.179 1.00 0.00 N ATOM 988 CA ASP B 69 26.295 4.050 -0.346 1.00 0.00 C ATOM 989 C ASP B 69 25.785 5.473 -0.541 1.00 0.00 C ATOM 990 O ASP B 69 26.522 6.429 -0.310 1.00 0.00 O ATOM 991 CB ASP B 69 26.857 3.490 -1.659 1.00 0.00 C ATOM 992 CG ASP B 69 27.668 2.210 -1.452 1.00 0.00 C ATOM 993 OD1 ASP B 69 27.856 1.817 -0.276 1.00 0.00 O ATOM 994 OD2 ASP B 69 28.088 1.636 -2.482 1.00 0.00 O ATOM 0 H ASP B 69 24.863 2.533 -0.512 1.00 0.00 H new ATOM 0 HA ASP B 69 27.096 4.097 0.392 1.00 0.00 H new ATOM 0 HB2 ASP B 69 26.035 3.288 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP B 69 27.488 4.243 -2.131 1.00 0.00 H new ATOM 999 N ALA B 70 24.524 5.614 -0.962 1.00 0.00 N ATOM 1000 CA ALA B 70 23.903 6.915 -1.119 1.00 0.00 C ATOM 1001 C ALA B 70 23.637 7.541 0.245 1.00 0.00 C ATOM 1002 O ALA B 70 23.616 8.766 0.375 1.00 0.00 O ATOM 1003 CB ALA B 70 22.598 6.753 -1.892 1.00 0.00 C ATOM 0 H ALA B 70 23.916 4.830 -1.200 1.00 0.00 H new ATOM 0 HA ALA B 70 24.573 7.574 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA B 70 22.124 7.727 -2.015 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.807 6.325 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.929 6.091 -1.342 1.00 0.00 H new ATOM 1009 N VAL B 71 23.438 6.704 1.269 1.00 0.00 N ATOM 1010 CA VAL B 71 23.205 7.190 2.621 1.00 0.00 C ATOM 1011 C VAL B 71 24.544 7.626 3.215 1.00 0.00 C ATOM 1012 O VAL B 71 24.660 8.729 3.740 1.00 0.00 O ATOM 1013 CB VAL B 71 22.582 6.060 3.453 1.00 0.00 C ATOM 1014 CG1 VAL B 71 22.712 6.325 4.955 1.00 0.00 C ATOM 1015 CG2 VAL B 71 21.097 5.939 3.106 1.00 0.00 C ATOM 0 H VAL B 71 23.435 5.688 1.181 1.00 0.00 H new ATOM 0 HA VAL B 71 22.522 8.040 2.619 1.00 0.00 H new ATOM 0 HB VAL B 71 23.115 5.139 3.217 1.00 0.00 H new ATOM 0 HG11 VAL B 71 22.259 5.503 5.510 1.00 0.00 H new ATOM 0 HG12 VAL B 71 23.766 6.405 5.220 1.00 0.00 H new ATOM 0 HG13 VAL B 71 22.203 7.256 5.206 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.650 5.138 3.694 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.593 6.879 3.331 1.00 0.00 H new ATOM 0 HG23 VAL B 71 20.988 5.714 2.045 1.00 0.00 H new ATOM 1025 N SER B 72 25.559 6.764 3.132 1.00 0.00 N ATOM 1026 CA SER B 72 26.856 7.042 3.747 1.00 0.00 C ATOM 1027 C SER B 72 27.633 8.101 2.969 1.00 0.00 C ATOM 1028 O SER B 72 28.684 8.555 3.426 1.00 0.00 O ATOM 1029 CB SER B 72 27.669 5.753 3.827 1.00 0.00 C ATOM 1030 OG SER B 72 27.010 4.815 4.652 1.00 0.00 O ATOM 0 H SER B 72 25.507 5.869 2.645 1.00 0.00 H new ATOM 0 HA SER B 72 26.679 7.432 4.750 1.00 0.00 H new ATOM 0 HB2 SER B 72 27.806 5.338 2.829 1.00 0.00 H new ATOM 0 HB3 SER B 72 28.662 5.964 4.224 1.00 0.00 H new ATOM 0 HG SER B 72 26.335 4.336 4.128 1.00 0.00 H new ATOM 1036 N GLY B 73 27.127 8.499 1.797 1.00 0.00 N ATOM 1037 CA GLY B 73 27.831 9.423 0.921 1.00 0.00 C ATOM 1038 C GLY B 73 27.330 10.865 1.029 1.00 0.00 C ATOM 1039 O GLY B 73 27.949 11.759 0.449 1.00 0.00 O ATOM 0 H GLY B 73 26.225 8.189 1.437 1.00 0.00 H new ATOM 0 HA2 GLY B 73 28.895 9.397 1.158 1.00 0.00 H new ATOM 0 HA3 GLY B 73 27.726 9.086 -0.110 1.00 0.00 H new ATOM 1043 N ARG B 74 26.230 11.107 1.756 1.00 0.00 N ATOM 1044 CA ARG B 74 25.646 12.448 1.795 1.00 0.00 C ATOM 1045 C ARG B 74 24.889 12.743 3.095 1.00 0.00 C ATOM 1046 O ARG B 74 24.572 13.898 3.370 1.00 0.00 O ATOM 1047 CB ARG B 74 24.722 12.605 0.578 1.00 0.00 C ATOM 1048 CG ARG B 74 24.112 14.008 0.461 1.00 0.00 C ATOM 1049 CD ARG B 74 25.192 15.096 0.421 1.00 0.00 C ATOM 1050 NE ARG B 74 26.115 14.893 -0.703 1.00 0.00 N ATOM 1051 CZ ARG B 74 27.423 15.159 -0.658 1.00 0.00 C ATOM 1052 NH1 ARG B 74 27.978 15.656 0.446 1.00 0.00 N ATOM 1053 NH2 ARG B 74 28.187 14.923 -1.722 1.00 0.00 N ATOM 0 H ARG B 74 25.739 10.407 2.312 1.00 0.00 H new ATOM 0 HA ARG B 74 26.459 13.174 1.761 1.00 0.00 H new ATOM 0 HB2 ARG B 74 25.285 12.384 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG B 74 23.919 11.871 0.642 1.00 0.00 H new ATOM 0 HG2 ARG B 74 23.504 14.066 -0.442 1.00 0.00 H new ATOM 0 HG3 ARG B 74 23.447 14.187 1.306 1.00 0.00 H new ATOM 0 HD2 ARG B 74 24.721 16.075 0.335 1.00 0.00 H new ATOM 0 HD3 ARG B 74 25.750 15.092 1.357 1.00 0.00 H new ATOM 0 HE ARG B 74 25.733 14.525 -1.574 1.00 0.00 H new ATOM 0 HH11 ARG B 74 27.403 15.837 1.269 1.00 0.00 H new ATOM 0 HH12 ARG B 74 28.978 15.855 0.469 1.00 0.00 H new ATOM 0 HH21 ARG B 74 27.774 14.539 -2.572 1.00 0.00 H new ATOM 0 HH22 ARG B 74 29.186 15.126 -1.688 1.00 0.00 H new ATOM 1067 N ASP B 75 24.596 11.719 3.901 1.00 0.00 N ATOM 1068 CA ASP B 75 23.838 11.928 5.126 1.00 0.00 C ATOM 1069 C ASP B 75 24.654 12.757 6.113 1.00 0.00 C ATOM 1070 O ASP B 75 25.868 12.585 6.219 1.00 0.00 O ATOM 1071 CB ASP B 75 23.483 10.579 5.745 1.00 0.00 C ATOM 1072 CG ASP B 75 22.569 10.735 6.960 1.00 0.00 C ATOM 1073 OD1 ASP B 75 22.613 9.833 7.830 1.00 0.00 O ATOM 1074 OD2 ASP B 75 21.834 11.745 7.010 1.00 0.00 O ATOM 0 H ASP B 75 24.870 10.752 3.727 1.00 0.00 H new ATOM 0 HA ASP B 75 22.921 12.468 4.891 1.00 0.00 H new ATOM 0 HB2 ASP B 75 22.992 9.955 4.999 1.00 0.00 H new ATOM 0 HB3 ASP B 75 24.396 10.063 6.041 1.00 0.00 H new ATOM 1079 N GLY B 76 23.984 13.657 6.837 1.00 0.00 N ATOM 1080 CA GLY B 76 24.609 14.433 7.892 1.00 0.00 C ATOM 1081 C GLY B 76 25.708 15.350 7.352 1.00 0.00 C ATOM 1082 O GLY B 76 26.782 15.434 7.942 1.00 0.00 O ATOM 0 H GLY B 76 22.994 13.863 6.703 1.00 0.00 H new ATOM 0 HA2 GLY B 76 23.852 15.032 8.398 1.00 0.00 H new ATOM 0 HA3 GLY B 76 25.032 13.759 8.636 1.00 0.00 H new ATOM 1086 N TYR B 77 25.447 16.031 6.230 1.00 0.00 N ATOM 1087 CA TYR B 77 26.458 16.827 5.561 1.00 0.00 C ATOM 1088 C TYR B 77 26.340 18.327 5.815 1.00 0.00 C ATOM 1089 O TYR B 77 25.243 18.878 5.801 1.00 0.00 O ATOM 1090 CB TYR B 77 26.568 16.454 4.080 1.00 0.00 C ATOM 1091 CG TYR B 77 27.331 17.455 3.247 1.00 0.00 C ATOM 1092 CD1 TYR B 77 26.647 18.290 2.346 1.00 0.00 C ATOM 1093 CD2 TYR B 77 28.727 17.553 3.375 1.00 0.00 C ATOM 1094 CE1 TYR B 77 27.357 19.222 1.572 1.00 0.00 C ATOM 1095 CE2 TYR B 77 29.441 18.486 2.610 1.00 0.00 C ATOM 1096 CZ TYR B 77 28.758 19.325 1.703 1.00 0.00 C ATOM 1097 OH TYR B 77 29.450 20.231 0.957 1.00 0.00 O ATOM 0 H TYR B 77 24.536 16.040 5.772 1.00 0.00 H new ATOM 0 HA TYR B 77 27.411 16.568 6.022 1.00 0.00 H new ATOM 0 HB2 TYR B 77 27.054 15.482 3.996 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.565 16.345 3.668 1.00 0.00 H new ATOM 0 HD1 TYR B 77 25.574 18.214 2.249 1.00 0.00 H new ATOM 0 HD2 TYR B 77 29.251 16.908 4.065 1.00 0.00 H new ATOM 0 HE1 TYR B 77 26.831 19.860 0.877 1.00 0.00 H new ATOM 0 HE2 TYR B 77 30.513 18.563 2.715 1.00 0.00 H new ATOM 0 HH TYR B 77 30.404 20.171 1.172 1.00 0.00 H new ATOM 1107 N ASP B 78 27.482 18.971 6.045 1.00 0.00 N ATOM 1108 CA ASP B 78 27.556 20.384 6.382 1.00 0.00 C ATOM 1109 C ASP B 78 27.037 21.280 5.260 1.00 0.00 C ATOM 1110 O ASP B 78 27.679 21.419 4.217 1.00 0.00 O ATOM 1111 CB ASP B 78 28.993 20.732 6.784 1.00 0.00 C ATOM 1112 CG ASP B 78 29.236 22.242 6.882 1.00 0.00 C ATOM 1113 OD1 ASP B 78 28.255 22.979 7.122 1.00 0.00 O ATOM 1114 OD2 ASP B 78 30.411 22.641 6.715 1.00 0.00 O ATOM 0 H ASP B 78 28.394 18.516 6.001 1.00 0.00 H new ATOM 0 HA ASP B 78 26.898 20.574 7.230 1.00 0.00 H new ATOM 0 HB2 ASP B 78 29.218 20.270 7.745 1.00 0.00 H new ATOM 0 HB3 ASP B 78 29.682 20.305 6.056 1.00 0.00 H new ATOM 1119 N TYR B 79 25.872 21.888 5.492 1.00 0.00 N ATOM 1120 CA TYR B 79 25.266 22.840 4.580 1.00 0.00 C ATOM 1121 C TYR B 79 25.160 24.233 5.210 1.00 0.00 C ATOM 1122 O TYR B 79 25.360 24.388 6.413 1.00 0.00 O ATOM 1123 CB TYR B 79 23.921 22.292 4.099 1.00 0.00 C ATOM 1124 CG TYR B 79 23.091 23.255 3.279 1.00 0.00 C ATOM 1125 CD1 TYR B 79 23.194 23.251 1.878 1.00 0.00 C ATOM 1126 CD2 TYR B 79 22.214 24.140 3.917 1.00 0.00 C ATOM 1127 CE1 TYR B 79 22.414 24.130 1.115 1.00 0.00 C ATOM 1128 CE2 TYR B 79 21.423 25.017 3.161 1.00 0.00 C ATOM 1129 CZ TYR B 79 21.521 25.015 1.754 1.00 0.00 C ATOM 1130 OH TYR B 79 20.752 25.867 1.018 1.00 0.00 O ATOM 0 H TYR B 79 25.320 21.725 6.334 1.00 0.00 H new ATOM 0 HA TYR B 79 25.905 22.967 3.706 1.00 0.00 H new ATOM 0 HB2 TYR B 79 24.103 21.397 3.505 1.00 0.00 H new ATOM 0 HB3 TYR B 79 23.340 21.985 4.968 1.00 0.00 H new ATOM 0 HD1 TYR B 79 23.875 22.570 1.389 1.00 0.00 H new ATOM 0 HD2 TYR B 79 22.146 24.147 4.995 1.00 0.00 H new ATOM 0 HE1 TYR B 79 22.497 24.130 0.038 1.00 0.00 H new ATOM 0 HE2 TYR B 79 20.740 25.692 3.655 1.00 0.00 H new ATOM 0 HH TYR B 79 20.194 26.405 1.618 1.00 0.00 H new ATOM 1140 N ASP B 80 24.849 25.243 4.396 1.00 0.00 N ATOM 1141 CA ASP B 80 24.732 26.615 4.865 1.00 0.00 C ATOM 1142 C ASP B 80 23.672 26.772 5.958 1.00 0.00 C ATOM 1143 O ASP B 80 22.480 26.866 5.665 1.00 0.00 O ATOM 1144 CB ASP B 80 24.472 27.541 3.673 1.00 0.00 C ATOM 1145 CG ASP B 80 24.111 28.967 4.100 1.00 0.00 C ATOM 1146 OD1 ASP B 80 23.497 29.675 3.272 1.00 0.00 O ATOM 1147 OD2 ASP B 80 24.453 29.335 5.246 1.00 0.00 O ATOM 0 H ASP B 80 24.673 25.129 3.398 1.00 0.00 H new ATOM 0 HA ASP B 80 25.675 26.900 5.331 1.00 0.00 H new ATOM 0 HB2 ASP B 80 25.359 27.569 3.040 1.00 0.00 H new ATOM 0 HB3 ASP B 80 23.662 27.131 3.069 1.00 0.00 H new ATOM 1152 N GLY B 81 24.112 26.794 7.219 1.00 0.00 N ATOM 1153 CA GLY B 81 23.236 26.994 8.366 1.00 0.00 C ATOM 1154 C GLY B 81 22.495 25.717 8.770 1.00 0.00 C ATOM 1155 O GLY B 81 21.802 25.715 9.787 1.00 0.00 O ATOM 0 H GLY B 81 25.093 26.672 7.469 1.00 0.00 H new ATOM 0 HA2 GLY B 81 23.825 27.350 9.211 1.00 0.00 H new ATOM 0 HA3 GLY B 81 22.510 27.773 8.133 1.00 0.00 H new ATOM 1159 N TYR B 82 22.630 24.638 7.989 1.00 0.00 N ATOM 1160 CA TYR B 82 21.925 23.387 8.245 1.00 0.00 C ATOM 1161 C TYR B 82 22.775 22.147 7.958 1.00 0.00 C ATOM 1162 O TYR B 82 23.983 22.246 7.744 1.00 0.00 O ATOM 1163 CB TYR B 82 20.610 23.361 7.457 1.00 0.00 C ATOM 1164 CG TYR B 82 19.606 24.395 7.904 1.00 0.00 C ATOM 1165 CD1 TYR B 82 18.626 24.066 8.850 1.00 0.00 C ATOM 1166 CD2 TYR B 82 19.662 25.691 7.368 1.00 0.00 C ATOM 1167 CE1 TYR B 82 17.697 25.028 9.264 1.00 0.00 C ATOM 1168 CE2 TYR B 82 18.737 26.656 7.775 1.00 0.00 C ATOM 1169 CZ TYR B 82 17.746 26.329 8.725 1.00 0.00 C ATOM 1170 OH TYR B 82 16.842 27.268 9.122 1.00 0.00 O ATOM 0 H TYR B 82 23.231 24.613 7.165 1.00 0.00 H new ATOM 0 HA TYR B 82 21.705 23.350 9.312 1.00 0.00 H new ATOM 0 HB2 TYR B 82 20.829 23.515 6.400 1.00 0.00 H new ATOM 0 HB3 TYR B 82 20.163 22.371 7.549 1.00 0.00 H new ATOM 0 HD1 TYR B 82 18.587 23.068 9.261 1.00 0.00 H new ATOM 0 HD2 TYR B 82 20.420 25.942 6.641 1.00 0.00 H new ATOM 0 HE1 TYR B 82 16.944 24.773 9.995 1.00 0.00 H new ATOM 0 HE2 TYR B 82 18.781 27.653 7.362 1.00 0.00 H new ATOM 0 HH TYR B 82 17.018 28.111 8.654 1.00 0.00 H new ATOM 1180 N ARG B 83 22.138 20.972 7.955 1.00 0.00 N ATOM 1181 CA ARG B 83 22.805 19.698 7.737 1.00 0.00 C ATOM 1182 C ARG B 83 21.875 18.761 6.967 1.00 0.00 C ATOM 1183 O ARG B 83 20.709 18.605 7.328 1.00 0.00 O ATOM 1184 CB ARG B 83 23.205 19.115 9.096 1.00 0.00 C ATOM 1185 CG ARG B 83 23.895 17.763 8.929 1.00 0.00 C ATOM 1186 CD ARG B 83 24.360 17.236 10.288 1.00 0.00 C ATOM 1187 NE ARG B 83 23.221 16.959 11.171 1.00 0.00 N ATOM 1188 CZ ARG B 83 22.991 17.594 12.323 1.00 0.00 C ATOM 1189 NH1 ARG B 83 23.810 18.552 12.753 1.00 0.00 N ATOM 1190 NH2 ARG B 83 21.931 17.268 13.056 1.00 0.00 N ATOM 0 H ARG B 83 21.133 20.885 8.106 1.00 0.00 H new ATOM 0 HA ARG B 83 23.707 19.830 7.140 1.00 0.00 H new ATOM 0 HB2 ARG B 83 23.872 19.807 9.611 1.00 0.00 H new ATOM 0 HB3 ARG B 83 22.320 19.001 9.722 1.00 0.00 H new ATOM 0 HG2 ARG B 83 23.209 17.051 8.470 1.00 0.00 H new ATOM 0 HG3 ARG B 83 24.748 17.862 8.258 1.00 0.00 H new ATOM 0 HD2 ARG B 83 24.943 16.326 10.147 1.00 0.00 H new ATOM 0 HD3 ARG B 83 25.018 17.967 10.758 1.00 0.00 H new ATOM 0 HE ARG B 83 22.562 16.234 10.886 1.00 0.00 H new ATOM 0 HH11 ARG B 83 24.627 18.810 12.200 1.00 0.00 H new ATOM 0 HH12 ARG B 83 23.620 19.027 13.635 1.00 0.00 H new ATOM 0 HH21 ARG B 83 21.297 16.535 12.738 1.00 0.00 H new ATOM 0 HH22 ARG B 83 21.752 17.751 13.937 1.00 0.00 H new ATOM 1204 N LEU B 84 22.397 18.145 5.904 1.00 0.00 N ATOM 1205 CA LEU B 84 21.620 17.255 5.045 1.00 0.00 C ATOM 1206 C LEU B 84 21.146 16.038 5.832 1.00 0.00 C ATOM 1207 O LEU B 84 21.792 15.621 6.792 1.00 0.00 O ATOM 1208 CB LEU B 84 22.475 16.794 3.858 1.00 0.00 C ATOM 1209 CG LEU B 84 22.503 17.786 2.688 1.00 0.00 C ATOM 1210 CD1 LEU B 84 21.115 17.929 2.066 1.00 0.00 C ATOM 1211 CD2 LEU B 84 23.005 19.157 3.134 1.00 0.00 C ATOM 0 H LEU B 84 23.370 18.250 5.616 1.00 0.00 H new ATOM 0 HA LEU B 84 20.752 17.801 4.677 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.495 16.625 4.202 1.00 0.00 H new ATOM 0 HB3 LEU B 84 22.096 15.837 3.500 1.00 0.00 H new ATOM 0 HG LEU B 84 23.192 17.389 1.942 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.158 18.637 1.238 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.780 16.960 1.697 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.415 18.292 2.818 1.00 0.00 H new ATOM 0 HD21 LEU B 84 23.013 19.837 2.282 1.00 0.00 H new ATOM 0 HD22 LEU B 84 22.346 19.552 3.907 1.00 0.00 H new ATOM 0 HD23 LEU B 84 24.015 19.063 3.532 1.00 0.00 H new ATOM 1223 N ARG B 85 20.015 15.468 5.409 1.00 0.00 N ATOM 1224 CA ARG B 85 19.514 14.219 5.967 1.00 0.00 C ATOM 1225 C ARG B 85 19.232 13.244 4.835 1.00 0.00 C ATOM 1226 O ARG B 85 18.435 13.534 3.946 1.00 0.00 O ATOM 1227 CB ARG B 85 18.272 14.476 6.816 1.00 0.00 C ATOM 1228 CG ARG B 85 18.613 15.418 7.971 1.00 0.00 C ATOM 1229 CD ARG B 85 17.434 15.546 8.935 1.00 0.00 C ATOM 1230 NE ARG B 85 16.287 16.220 8.308 1.00 0.00 N ATOM 1231 CZ ARG B 85 16.165 17.546 8.202 1.00 0.00 C ATOM 1232 NH1 ARG B 85 17.134 18.353 8.625 1.00 0.00 N ATOM 1233 NH2 ARG B 85 15.066 18.069 7.668 1.00 0.00 N ATOM 0 H ARG B 85 19.427 15.860 4.674 1.00 0.00 H new ATOM 0 HA ARG B 85 20.265 13.778 6.622 1.00 0.00 H new ATOM 0 HB2 ARG B 85 17.485 14.912 6.201 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.887 13.534 7.206 1.00 0.00 H new ATOM 0 HG2 ARG B 85 19.486 15.044 8.505 1.00 0.00 H new ATOM 0 HG3 ARG B 85 18.876 16.400 7.579 1.00 0.00 H new ATOM 0 HD2 ARG B 85 17.132 14.555 9.274 1.00 0.00 H new ATOM 0 HD3 ARG B 85 17.745 16.104 9.818 1.00 0.00 H new ATOM 0 HE ARG B 85 15.538 15.639 7.931 1.00 0.00 H new ATOM 0 HH11 ARG B 85 17.981 17.961 9.035 1.00 0.00 H new ATOM 0 HH12 ARG B 85 17.030 19.364 8.539 1.00 0.00 H new ATOM 0 HH21 ARG B 85 14.318 17.458 7.340 1.00 0.00 H new ATOM 0 HH22 ARG B 85 14.971 19.081 7.586 1.00 0.00 H new ATOM 1247 N VAL B 86 19.896 12.088 4.881 1.00 0.00 N ATOM 1248 CA VAL B 86 19.746 11.046 3.876 1.00 0.00 C ATOM 1249 C VAL B 86 19.796 9.682 4.550 1.00 0.00 C ATOM 1250 O VAL B 86 20.836 9.032 4.561 1.00 0.00 O ATOM 1251 CB VAL B 86 20.827 11.175 2.794 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.552 10.186 1.660 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.876 12.591 2.214 1.00 0.00 C ATOM 0 H VAL B 86 20.555 11.851 5.622 1.00 0.00 H new ATOM 0 HA VAL B 86 18.780 11.156 3.383 1.00 0.00 H new ATOM 0 HB VAL B 86 21.787 10.956 3.262 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.324 10.284 0.896 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.559 9.170 2.054 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.578 10.398 1.220 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.653 12.645 1.451 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.912 12.835 1.768 1.00 0.00 H new ATOM 0 HG23 VAL B 86 21.098 13.302 3.009 1.00 0.00 H new ATOM 1263 N GLU B 87 18.670 9.252 5.117 1.00 0.00 N ATOM 1264 CA GLU B 87 18.620 8.013 5.886 1.00 0.00 C ATOM 1265 C GLU B 87 17.320 7.247 5.644 1.00 0.00 C ATOM 1266 O GLU B 87 16.354 7.799 5.119 1.00 0.00 O ATOM 1267 CB GLU B 87 18.794 8.331 7.375 1.00 0.00 C ATOM 1268 CG GLU B 87 17.644 9.208 7.885 1.00 0.00 C ATOM 1269 CD GLU B 87 17.713 9.422 9.397 1.00 0.00 C ATOM 1270 OE1 GLU B 87 16.815 10.133 9.904 1.00 0.00 O ATOM 1271 OE2 GLU B 87 18.646 8.879 10.030 1.00 0.00 O ATOM 0 H GLU B 87 17.779 9.745 5.057 1.00 0.00 H new ATOM 0 HA GLU B 87 19.435 7.369 5.554 1.00 0.00 H new ATOM 0 HB2 GLU B 87 18.831 7.404 7.947 1.00 0.00 H new ATOM 0 HB3 GLU B 87 19.744 8.842 7.533 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.674 10.174 7.381 1.00 0.00 H new ATOM 0 HG3 GLU B 87 16.692 8.743 7.628 1.00 0.00 H new ATOM 1278 N PHE B 88 17.302 5.970 6.029 1.00 0.00 N ATOM 1279 CA PHE B 88 16.129 5.123 5.894 1.00 0.00 C ATOM 1280 C PHE B 88 15.012 5.468 6.887 1.00 0.00 C ATOM 1281 O PHE B 88 15.294 5.696 8.063 1.00 0.00 O ATOM 1282 CB PHE B 88 16.554 3.649 5.949 1.00 0.00 C ATOM 1283 CG PHE B 88 15.430 2.666 6.181 1.00 0.00 C ATOM 1284 CD1 PHE B 88 14.786 2.071 5.088 1.00 0.00 C ATOM 1285 CD2 PHE B 88 15.044 2.336 7.487 1.00 0.00 C ATOM 1286 CE1 PHE B 88 13.755 1.148 5.299 1.00 0.00 C ATOM 1287 CE2 PHE B 88 14.018 1.401 7.701 1.00 0.00 C ATOM 1288 CZ PHE B 88 13.371 0.810 6.604 1.00 0.00 C ATOM 0 H PHE B 88 18.106 5.498 6.444 1.00 0.00 H new ATOM 0 HA PHE B 88 15.682 5.315 4.919 1.00 0.00 H new ATOM 0 HB2 PHE B 88 17.051 3.395 5.013 1.00 0.00 H new ATOM 0 HB3 PHE B 88 17.291 3.529 6.743 1.00 0.00 H new ATOM 0 HD1 PHE B 88 15.085 2.325 4.082 1.00 0.00 H new ATOM 0 HD2 PHE B 88 15.535 2.801 8.329 1.00 0.00 H new ATOM 0 HE1 PHE B 88 13.255 0.696 4.455 1.00 0.00 H new ATOM 0 HE2 PHE B 88 13.727 1.137 8.707 1.00 0.00 H new ATOM 0 HZ PHE B 88 12.578 0.095 6.766 1.00 0.00 H new ATOM 1298 N PRO B 89 13.751 5.513 6.431 1.00 0.00 N ATOM 1299 CA PRO B 89 12.604 5.846 7.261 1.00 0.00 C ATOM 1300 C PRO B 89 12.324 4.740 8.283 1.00 0.00 C ATOM 1301 O PRO B 89 11.813 3.679 7.865 1.00 0.00 O ATOM 1302 CB PRO B 89 11.435 6.022 6.291 1.00 0.00 C ATOM 1303 CG PRO B 89 11.827 5.184 5.072 1.00 0.00 C ATOM 1304 CD PRO B 89 13.353 5.264 5.061 1.00 0.00 C ATOM 0 HA PRO B 89 12.776 6.751 7.843 1.00 0.00 H new ATOM 0 HB2 PRO B 89 10.499 5.674 6.729 1.00 0.00 H new ATOM 0 HB3 PRO B 89 11.293 7.069 6.025 1.00 0.00 H new ATOM 0 HG2 PRO B 89 11.480 4.155 5.164 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.397 5.585 4.154 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.789 4.336 4.691 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.697 6.063 4.404 1.00 0.00 H new