USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 775 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 65 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= 0.291 K(o=0.56,f=-4.2!) USER MOD Set 1.3: B 13 ASN : amide:sc= 0.273 K(o=0.56,f=-4.2!) USER MOD Set 2.1: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 80 CYS SG : rot -81:sc= 0.622 USER MOD Set 2.3: A 82 THR OG1 : rot 148:sc= 0.346 USER MOD Set 3.1: A 17 HIS : no HD1:sc= -0.297 K(o=-0.3,f=-5.4!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.49 K(o=-1.5,f=0.46) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -161:sc= -0.0469 (180deg=-0.7) USER MOD Single : A 41 THR OG1 : rot -63:sc= 1.42 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 1.02 K(o=1,f=-3.1!) USER MOD Single : A 59 TYR OH : rot 180:sc= 1.24 USER MOD Single : A 61 CYS SG : rot -54:sc= 0.0798 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.2) USER MOD Single : A 73 SER OG : rot -97:sc= 0.196 USER MOD Single : A 81 GLN : amide:sc= 0.664 K(o=0.66,f=-4.2!) USER MOD Single : A 84 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.53) USER MOD Single : A 90 LYS NZ :NH3+ 147:sc= 0.809 (180deg=0.254) USER MOD Single : A 91 CYS SG : rot 140:sc= 0.377 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc=-0.00465 X(o=-0.0046,f=-0.44) USER MOD Single : A 105 MET CE :methyl 172:sc= -0.104 (180deg=-0.182) USER MOD Single : B 6 HIS : no HD1:sc= 0.482 K(o=0.48,f=-3.9!) USER MOD Single : B 9 CYS SG : rot 168:sc= 1.24 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 17 -4.354 -16.070 -7.082 1.00 0.00 N ATOM 203 CA HIS A 17 -3.931 -15.077 -8.080 1.00 0.00 C ATOM 204 C HIS A 17 -3.009 -13.979 -7.472 1.00 0.00 C ATOM 205 O HIS A 17 -3.210 -13.590 -6.316 1.00 0.00 O ATOM 206 CB HIS A 17 -5.190 -14.458 -8.710 1.00 0.00 C ATOM 207 CG HIS A 17 -4.947 -13.729 -9.997 1.00 0.00 C ATOM 208 ND1 HIS A 17 -4.537 -12.399 -10.114 1.00 0.00 N ATOM 209 CD2 HIS A 17 -5.031 -14.284 -11.238 1.00 0.00 C ATOM 210 CE1 HIS A 17 -4.393 -12.187 -11.435 1.00 0.00 C ATOM 211 NE2 HIS A 17 -4.684 -13.300 -12.135 1.00 0.00 N ATOM 0 HA HIS A 17 -3.335 -15.577 -8.844 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.919 -15.249 -8.887 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.637 -13.767 -7.995 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.315 -15.299 -11.472 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.085 -11.250 -11.875 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -4.653 -13.396 -13.150 1.00 0.00 H new ATOM 219 N PRO A 18 -2.015 -13.451 -8.218 1.00 0.00 N ATOM 220 CA PRO A 18 -1.087 -12.440 -7.706 1.00 0.00 C ATOM 221 C PRO A 18 -1.687 -11.034 -7.514 1.00 0.00 C ATOM 222 O PRO A 18 -1.028 -10.216 -6.874 1.00 0.00 O ATOM 223 CB PRO A 18 0.082 -12.419 -8.699 1.00 0.00 C ATOM 224 CG PRO A 18 -0.567 -12.862 -10.008 1.00 0.00 C ATOM 225 CD PRO A 18 -1.564 -13.912 -9.527 1.00 0.00 C ATOM 0 HA PRO A 18 -0.785 -12.714 -6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.521 -11.425 -8.783 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.881 -13.096 -8.396 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.060 -12.035 -10.520 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.161 -13.279 -10.704 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.400 -14.005 -10.220 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.097 -14.894 -9.457 1.00 0.00 H new ATOM 233 N THR A 19 -2.904 -10.739 -8.011 1.00 0.00 N ATOM 234 CA THR A 19 -3.576 -9.433 -7.811 1.00 0.00 C ATOM 235 C THR A 19 -5.023 -9.543 -7.333 1.00 0.00 C ATOM 236 O THR A 19 -5.561 -8.569 -6.804 1.00 0.00 O ATOM 237 CB THR A 19 -3.517 -8.552 -9.067 1.00 0.00 C ATOM 238 OG1 THR A 19 -4.254 -9.145 -10.110 1.00 0.00 O ATOM 239 CG2 THR A 19 -2.088 -8.314 -9.555 1.00 0.00 C ATOM 0 H THR A 19 -3.452 -11.398 -8.564 1.00 0.00 H new ATOM 0 HA THR A 19 -3.007 -8.959 -7.011 1.00 0.00 H new ATOM 0 HB THR A 19 -3.945 -7.589 -8.789 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.211 -8.575 -10.906 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.107 -7.685 -10.445 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.514 -7.818 -8.772 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.622 -9.269 -9.796 1.00 0.00 H new ATOM 247 N LYS A 20 -5.639 -10.721 -7.474 1.00 0.00 N ATOM 248 CA LYS A 20 -7.001 -11.013 -7.018 1.00 0.00 C ATOM 249 C LYS A 20 -6.977 -12.010 -5.847 1.00 0.00 C ATOM 250 O LYS A 20 -6.154 -12.926 -5.807 1.00 0.00 O ATOM 251 CB LYS A 20 -7.817 -11.553 -8.204 1.00 0.00 C ATOM 252 CG LYS A 20 -7.975 -10.541 -9.347 1.00 0.00 C ATOM 253 CD LYS A 20 -8.165 -11.295 -10.667 1.00 0.00 C ATOM 254 CE LYS A 20 -8.090 -10.282 -11.805 1.00 0.00 C ATOM 255 NZ LYS A 20 -8.295 -10.907 -13.135 1.00 0.00 N ATOM 0 H LYS A 20 -5.191 -11.520 -7.921 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.473 -10.101 -6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.334 -12.451 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.805 -11.848 -7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.831 -9.893 -9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.096 -9.899 -9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.395 -12.057 -10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.126 -11.809 -10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.843 -9.509 -11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.118 -9.788 -11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.235 -10.178 -13.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.561 -11.626 -13.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.233 -11.356 -13.167 1.00 0.00 H new ATOM 269 N PHE A 21 -7.894 -11.856 -4.896 1.00 0.00 N ATOM 270 CA PHE A 21 -7.940 -12.643 -3.665 1.00 0.00 C ATOM 271 C PHE A 21 -9.398 -12.962 -3.329 1.00 0.00 C ATOM 272 O PHE A 21 -10.203 -12.058 -3.118 1.00 0.00 O ATOM 273 CB PHE A 21 -7.247 -11.858 -2.536 1.00 0.00 C ATOM 274 CG PHE A 21 -5.778 -11.527 -2.769 1.00 0.00 C ATOM 275 CD1 PHE A 21 -4.775 -12.422 -2.347 1.00 0.00 C ATOM 276 CD2 PHE A 21 -5.408 -10.316 -3.392 1.00 0.00 C ATOM 277 CE1 PHE A 21 -3.415 -12.113 -2.538 1.00 0.00 C ATOM 278 CE2 PHE A 21 -4.050 -10.014 -3.598 1.00 0.00 C ATOM 279 CZ PHE A 21 -3.053 -10.909 -3.168 1.00 0.00 C ATOM 0 H PHE A 21 -8.642 -11.166 -4.960 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.410 -13.587 -3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.790 -10.926 -2.379 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.329 -12.434 -1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.052 -13.352 -1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.169 -9.620 -3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.652 -12.799 -2.202 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.772 -9.093 -4.088 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.011 -10.671 -3.322 1.00 0.00 H new ATOM 289 N LYS A 22 -9.757 -14.245 -3.276 1.00 0.00 N ATOM 290 CA LYS A 22 -11.089 -14.667 -2.824 1.00 0.00 C ATOM 291 C LYS A 22 -11.238 -14.428 -1.309 1.00 0.00 C ATOM 292 O LYS A 22 -10.370 -14.814 -0.523 1.00 0.00 O ATOM 293 CB LYS A 22 -11.334 -16.129 -3.238 1.00 0.00 C ATOM 294 CG LYS A 22 -11.752 -16.188 -4.716 1.00 0.00 C ATOM 295 CD LYS A 22 -11.823 -17.622 -5.252 1.00 0.00 C ATOM 296 CE LYS A 22 -12.328 -17.656 -6.703 1.00 0.00 C ATOM 297 NZ LYS A 22 -13.802 -17.474 -6.797 1.00 0.00 N ATOM 0 H LYS A 22 -9.143 -15.015 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.860 -14.066 -3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.430 -16.717 -3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.111 -16.568 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.725 -15.712 -4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.043 -15.616 -5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.836 -18.081 -5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.485 -18.215 -4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.831 -16.873 -7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.053 -18.607 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.093 -17.505 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.280 -18.235 -6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.065 -16.555 -6.388 1.00 0.00 H new ATOM 311 N VAL A 23 -12.327 -13.770 -0.913 1.00 0.00 N ATOM 312 CA VAL A 23 -12.577 -13.253 0.444 1.00 0.00 C ATOM 313 C VAL A 23 -14.016 -13.540 0.881 1.00 0.00 C ATOM 314 O VAL A 23 -14.886 -13.768 0.040 1.00 0.00 O ATOM 315 CB VAL A 23 -12.296 -11.730 0.551 1.00 0.00 C ATOM 316 CG1 VAL A 23 -10.809 -11.389 0.373 1.00 0.00 C ATOM 317 CG2 VAL A 23 -13.132 -10.871 -0.416 1.00 0.00 C ATOM 0 H VAL A 23 -13.096 -13.571 -1.553 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.886 -13.772 1.108 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.601 -11.478 1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.670 -10.311 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.226 -11.891 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.474 -11.722 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.879 -9.820 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.918 -11.167 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.192 -11.018 -0.210 1.00 0.00 H new ATOM 327 N THR A 24 -14.277 -13.496 2.192 1.00 0.00 N ATOM 328 CA THR A 24 -15.625 -13.622 2.763 1.00 0.00 C ATOM 329 C THR A 24 -15.835 -12.528 3.791 1.00 0.00 C ATOM 330 O THR A 24 -15.120 -12.464 4.782 1.00 0.00 O ATOM 331 CB THR A 24 -15.823 -15.020 3.358 1.00 0.00 C ATOM 332 OG1 THR A 24 -15.819 -15.949 2.296 1.00 0.00 O ATOM 333 CG2 THR A 24 -17.164 -15.174 4.075 1.00 0.00 C ATOM 0 H THR A 24 -13.550 -13.370 2.896 1.00 0.00 H new ATOM 0 HA THR A 24 -16.374 -13.501 1.981 1.00 0.00 H new ATOM 0 HB THR A 24 -15.023 -15.185 4.079 1.00 0.00 H new ATOM 0 HG1 THR A 24 -15.943 -16.854 2.652 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.248 -16.184 4.476 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.225 -14.454 4.891 1.00 0.00 H new ATOM 0 HG23 THR A 24 -17.976 -14.994 3.370 1.00 0.00 H new ATOM 341 N ASN A 25 -16.819 -11.665 3.555 1.00 0.00 N ATOM 342 CA ASN A 25 -17.220 -10.607 4.482 1.00 0.00 C ATOM 343 C ASN A 25 -17.746 -11.221 5.793 1.00 0.00 C ATOM 344 O ASN A 25 -18.650 -12.063 5.751 1.00 0.00 O ATOM 345 CB ASN A 25 -18.280 -9.741 3.776 1.00 0.00 C ATOM 346 CG ASN A 25 -18.816 -8.620 4.656 1.00 0.00 C ATOM 347 OD1 ASN A 25 -18.458 -7.458 4.530 1.00 0.00 O ATOM 348 ND2 ASN A 25 -19.719 -8.933 5.562 1.00 0.00 N ATOM 0 H ASN A 25 -17.372 -11.680 2.698 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.372 -9.979 4.753 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.847 -9.311 2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.108 -10.376 3.461 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.118 -8.207 6.157 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -20.019 -9.902 5.669 1.00 0.00 H new ATOM 355 N VAL A 26 -17.225 -10.772 6.940 1.00 0.00 N ATOM 356 CA VAL A 26 -17.591 -11.293 8.269 1.00 0.00 C ATOM 357 C VAL A 26 -18.085 -10.209 9.232 1.00 0.00 C ATOM 358 O VAL A 26 -17.741 -9.035 9.084 1.00 0.00 O ATOM 359 CB VAL A 26 -16.449 -12.099 8.932 1.00 0.00 C ATOM 360 CG1 VAL A 26 -16.133 -13.386 8.160 1.00 0.00 C ATOM 361 CG2 VAL A 26 -15.149 -11.299 9.124 1.00 0.00 C ATOM 0 H VAL A 26 -16.529 -10.028 6.976 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.423 -11.970 8.074 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.833 -12.347 9.922 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.326 -13.921 8.660 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -17.021 -14.018 8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.828 -13.135 7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.398 -11.933 9.594 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.783 -10.961 8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.344 -10.435 9.760 1.00 0.00 H new ATOM 371 N ASP A 27 -18.894 -10.613 10.219 1.00 0.00 N ATOM 372 CA ASP A 27 -19.393 -9.731 11.286 1.00 0.00 C ATOM 373 C ASP A 27 -18.404 -9.551 12.466 1.00 0.00 C ATOM 374 O ASP A 27 -17.252 -9.987 12.417 1.00 0.00 O ATOM 375 CB ASP A 27 -20.788 -10.201 11.746 1.00 0.00 C ATOM 376 CG ASP A 27 -20.803 -11.353 12.764 1.00 0.00 C ATOM 377 OD1 ASP A 27 -19.805 -12.111 12.839 1.00 0.00 O ATOM 378 OD2 ASP A 27 -21.825 -11.506 13.464 1.00 0.00 O ATOM 0 H ASP A 27 -19.226 -11.574 10.302 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.485 -8.731 10.862 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -21.312 -9.350 12.181 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.355 -10.510 10.868 1.00 0.00 H new ATOM 383 N ASP A 28 -18.870 -8.918 13.549 1.00 0.00 N ATOM 384 CA ASP A 28 -18.117 -8.693 14.795 1.00 0.00 C ATOM 385 C ASP A 28 -17.715 -9.970 15.554 1.00 0.00 C ATOM 386 O ASP A 28 -16.726 -9.978 16.291 1.00 0.00 O ATOM 387 CB ASP A 28 -18.904 -7.753 15.725 1.00 0.00 C ATOM 388 CG ASP A 28 -20.426 -7.969 15.820 1.00 0.00 C ATOM 389 OD1 ASP A 28 -20.890 -9.132 15.823 1.00 0.00 O ATOM 390 OD2 ASP A 28 -21.158 -6.955 15.908 1.00 0.00 O ATOM 0 H ASP A 28 -19.814 -8.534 13.586 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.178 -8.235 14.485 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.487 -7.843 16.728 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.728 -6.728 15.397 1.00 0.00 H new ATOM 395 N GLU A 29 -18.456 -11.050 15.334 1.00 0.00 N ATOM 396 CA GLU A 29 -18.213 -12.392 15.877 1.00 0.00 C ATOM 397 C GLU A 29 -17.375 -13.274 14.928 1.00 0.00 C ATOM 398 O GLU A 29 -16.999 -14.393 15.292 1.00 0.00 O ATOM 399 CB GLU A 29 -19.563 -13.074 16.151 1.00 0.00 C ATOM 400 CG GLU A 29 -20.421 -12.384 17.215 1.00 0.00 C ATOM 401 CD GLU A 29 -20.063 -12.861 18.631 1.00 0.00 C ATOM 402 OE1 GLU A 29 -19.168 -12.261 19.274 1.00 0.00 O ATOM 403 OE2 GLU A 29 -20.684 -13.834 19.121 1.00 0.00 O ATOM 0 H GLU A 29 -19.286 -11.017 14.742 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.641 -12.277 16.798 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -20.128 -13.119 15.220 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -19.379 -14.102 16.462 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -20.284 -11.305 17.149 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -21.474 -12.584 17.019 1.00 0.00 H new ATOM 410 N GLY A 30 -17.083 -12.795 13.711 1.00 0.00 N ATOM 411 CA GLY A 30 -16.368 -13.534 12.668 1.00 0.00 C ATOM 412 C GLY A 30 -17.249 -14.488 11.855 1.00 0.00 C ATOM 413 O GLY A 30 -16.698 -15.348 11.168 1.00 0.00 O ATOM 0 H GLY A 30 -17.347 -11.854 13.419 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.902 -12.821 11.988 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.564 -14.106 13.131 1.00 0.00 H new ATOM 417 N VAL A 31 -18.581 -14.372 11.912 1.00 0.00 N ATOM 418 CA VAL A 31 -19.498 -15.237 11.146 1.00 0.00 C ATOM 419 C VAL A 31 -19.545 -14.815 9.679 1.00 0.00 C ATOM 420 O VAL A 31 -19.474 -13.631 9.364 1.00 0.00 O ATOM 421 CB VAL A 31 -20.927 -15.358 11.726 1.00 0.00 C ATOM 422 CG1 VAL A 31 -20.930 -15.592 13.247 1.00 0.00 C ATOM 423 CG2 VAL A 31 -21.915 -14.265 11.314 1.00 0.00 C ATOM 0 H VAL A 31 -19.057 -13.678 12.488 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.074 -16.237 11.231 1.00 0.00 H new ATOM 0 HB VAL A 31 -21.314 -16.256 11.244 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -21.958 -15.669 13.601 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.397 -16.516 13.474 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.437 -14.757 13.745 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -22.882 -14.454 11.780 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -21.539 -13.294 11.638 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -22.029 -14.267 10.230 1.00 0.00 H new ATOM 433 N GLU A 32 -19.663 -15.797 8.790 1.00 0.00 N ATOM 434 CA GLU A 32 -19.518 -15.642 7.338 1.00 0.00 C ATOM 435 C GLU A 32 -20.864 -15.272 6.700 1.00 0.00 C ATOM 436 O GLU A 32 -21.834 -16.031 6.805 1.00 0.00 O ATOM 437 CB GLU A 32 -18.987 -16.960 6.747 1.00 0.00 C ATOM 438 CG GLU A 32 -17.556 -17.284 7.205 1.00 0.00 C ATOM 439 CD GLU A 32 -17.102 -18.650 6.669 1.00 0.00 C ATOM 440 OE1 GLU A 32 -17.549 -19.692 7.205 1.00 0.00 O ATOM 441 OE2 GLU A 32 -16.283 -18.695 5.721 1.00 0.00 O ATOM 0 H GLU A 32 -19.869 -16.757 9.066 1.00 0.00 H new ATOM 0 HA GLU A 32 -18.814 -14.837 7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.650 -17.776 7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.011 -16.901 5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -16.874 -16.508 6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.510 -17.283 8.294 1.00 0.00 H new ATOM 448 N LEU A 33 -20.927 -14.104 6.048 1.00 0.00 N ATOM 449 CA LEU A 33 -22.184 -13.534 5.538 1.00 0.00 C ATOM 450 C LEU A 33 -22.305 -13.678 4.016 1.00 0.00 C ATOM 451 O LEU A 33 -23.294 -14.224 3.520 1.00 0.00 O ATOM 452 CB LEU A 33 -22.299 -12.055 5.953 1.00 0.00 C ATOM 453 CG LEU A 33 -21.991 -11.726 7.426 1.00 0.00 C ATOM 454 CD1 LEU A 33 -22.314 -10.249 7.654 1.00 0.00 C ATOM 455 CD2 LEU A 33 -22.785 -12.573 8.425 1.00 0.00 C ATOM 0 H LEU A 33 -20.108 -13.526 5.858 1.00 0.00 H new ATOM 0 HA LEU A 33 -23.007 -14.096 5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.625 -11.472 5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -23.312 -11.717 5.733 1.00 0.00 H new ATOM 0 HG LEU A 33 -20.939 -11.952 7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -22.105 -9.987 8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -21.700 -9.636 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -23.368 -10.070 7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -22.515 -12.285 9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -23.852 -12.410 8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -22.553 -13.627 8.273 1.00 0.00 H new ATOM 467 N GLY A 34 -21.299 -13.185 3.285 1.00 0.00 N ATOM 468 CA GLY A 34 -21.232 -13.220 1.815 1.00 0.00 C ATOM 469 C GLY A 34 -19.814 -13.356 1.266 1.00 0.00 C ATOM 470 O GLY A 34 -18.875 -12.761 1.794 1.00 0.00 O ATOM 0 H GLY A 34 -20.486 -12.738 3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.833 -14.054 1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.679 -12.309 1.418 1.00 0.00 H new ATOM 474 N SER A 35 -19.658 -14.115 0.184 1.00 0.00 N ATOM 475 CA SER A 35 -18.378 -14.354 -0.500 1.00 0.00 C ATOM 476 C SER A 35 -18.151 -13.382 -1.677 1.00 0.00 C ATOM 477 O SER A 35 -19.082 -13.027 -2.408 1.00 0.00 O ATOM 478 CB SER A 35 -18.304 -15.821 -0.954 1.00 0.00 C ATOM 479 OG SER A 35 -19.381 -16.179 -1.817 1.00 0.00 O ATOM 0 H SER A 35 -20.440 -14.598 -0.259 1.00 0.00 H new ATOM 0 HA SER A 35 -17.572 -14.161 0.208 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.358 -15.992 -1.468 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.313 -16.470 -0.078 1.00 0.00 H new ATOM 0 HG SER A 35 -19.291 -17.119 -2.080 1.00 0.00 H new ATOM 485 N GLY A 36 -16.899 -12.944 -1.858 1.00 0.00 N ATOM 486 CA GLY A 36 -16.472 -11.960 -2.858 1.00 0.00 C ATOM 487 C GLY A 36 -15.046 -12.183 -3.362 1.00 0.00 C ATOM 488 O GLY A 36 -14.291 -12.979 -2.802 1.00 0.00 O ATOM 0 H GLY A 36 -16.124 -13.280 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.158 -11.993 -3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.545 -10.961 -2.428 1.00 0.00 H new ATOM 492 N VAL A 37 -14.661 -11.437 -4.398 1.00 0.00 N ATOM 493 CA VAL A 37 -13.275 -11.350 -4.889 1.00 0.00 C ATOM 494 C VAL A 37 -12.781 -9.923 -4.663 1.00 0.00 C ATOM 495 O VAL A 37 -13.360 -8.972 -5.183 1.00 0.00 O ATOM 496 CB VAL A 37 -13.153 -11.741 -6.382 1.00 0.00 C ATOM 497 CG1 VAL A 37 -11.700 -11.639 -6.878 1.00 0.00 C ATOM 498 CG2 VAL A 37 -13.657 -13.171 -6.631 1.00 0.00 C ATOM 0 H VAL A 37 -15.312 -10.863 -4.933 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.660 -12.061 -4.338 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.773 -11.036 -6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.654 -11.921 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.347 -10.614 -6.761 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.069 -12.309 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.557 -13.413 -7.689 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.067 -13.873 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.705 -13.243 -6.340 1.00 0.00 H new ATOM 508 N MET A 38 -11.704 -9.789 -3.889 1.00 0.00 N ATOM 509 CA MET A 38 -10.967 -8.542 -3.698 1.00 0.00 C ATOM 510 C MET A 38 -9.907 -8.397 -4.793 1.00 0.00 C ATOM 511 O MET A 38 -9.245 -9.364 -5.164 1.00 0.00 O ATOM 512 CB MET A 38 -10.355 -8.526 -2.287 1.00 0.00 C ATOM 513 CG MET A 38 -9.750 -7.162 -1.933 1.00 0.00 C ATOM 514 SD MET A 38 -10.960 -5.814 -1.838 1.00 0.00 S ATOM 515 CE MET A 38 -11.472 -6.014 -0.114 1.00 0.00 C ATOM 0 H MET A 38 -11.310 -10.569 -3.363 1.00 0.00 H new ATOM 0 HA MET A 38 -11.637 -7.686 -3.780 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.123 -8.781 -1.557 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.583 -9.293 -2.219 1.00 0.00 H new ATOM 0 HG2 MET A 38 -9.237 -7.242 -0.975 1.00 0.00 H new ATOM 0 HG3 MET A 38 -8.996 -6.907 -2.678 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.429 -5.517 0.041 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.573 -7.075 0.115 1.00 0.00 H new ATOM 0 HE3 MET A 38 -10.722 -5.571 0.542 1.00 0.00 H new ATOM 525 N GLU A 39 -9.750 -7.184 -5.310 1.00 0.00 N ATOM 526 CA GLU A 39 -8.871 -6.840 -6.421 1.00 0.00 C ATOM 527 C GLU A 39 -8.184 -5.509 -6.108 1.00 0.00 C ATOM 528 O GLU A 39 -8.834 -4.521 -5.739 1.00 0.00 O ATOM 529 CB GLU A 39 -9.705 -6.800 -7.712 1.00 0.00 C ATOM 530 CG GLU A 39 -8.899 -6.393 -8.951 1.00 0.00 C ATOM 531 CD GLU A 39 -9.757 -6.473 -10.224 1.00 0.00 C ATOM 532 OE1 GLU A 39 -10.841 -5.845 -10.270 1.00 0.00 O ATOM 533 OE2 GLU A 39 -9.347 -7.164 -11.185 1.00 0.00 O ATOM 0 H GLU A 39 -10.256 -6.375 -4.949 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.087 -7.583 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.144 -7.783 -7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.530 -6.100 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.523 -5.378 -8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.031 -7.044 -9.053 1.00 0.00 H new ATOM 540 N LEU A 40 -6.855 -5.520 -6.240 1.00 0.00 N ATOM 541 CA LEU A 40 -5.952 -4.401 -5.978 1.00 0.00 C ATOM 542 C LEU A 40 -5.422 -3.889 -7.325 1.00 0.00 C ATOM 543 O LEU A 40 -5.004 -4.682 -8.175 1.00 0.00 O ATOM 544 CB LEU A 40 -4.784 -4.864 -5.079 1.00 0.00 C ATOM 545 CG LEU A 40 -5.077 -5.063 -3.572 1.00 0.00 C ATOM 546 CD1 LEU A 40 -6.113 -6.152 -3.257 1.00 0.00 C ATOM 547 CD2 LEU A 40 -3.767 -5.436 -2.872 1.00 0.00 C ATOM 0 H LEU A 40 -6.356 -6.354 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.480 -3.601 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.408 -5.807 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.979 -4.135 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.499 -4.123 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.253 -6.220 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.062 -5.900 -3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.761 -7.111 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.952 -5.581 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.375 -6.358 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.041 -4.635 -3.008 1.00 0.00 H new ATOM 559 N THR A 41 -5.426 -2.567 -7.506 1.00 0.00 N ATOM 560 CA THR A 41 -4.990 -1.877 -8.736 1.00 0.00 C ATOM 561 C THR A 41 -4.092 -0.699 -8.375 1.00 0.00 C ATOM 562 O THR A 41 -4.013 -0.326 -7.209 1.00 0.00 O ATOM 563 CB THR A 41 -6.199 -1.421 -9.573 1.00 0.00 C ATOM 564 OG1 THR A 41 -6.829 -0.337 -8.930 1.00 0.00 O ATOM 565 CG2 THR A 41 -7.234 -2.528 -9.809 1.00 0.00 C ATOM 0 H THR A 41 -5.741 -1.921 -6.782 1.00 0.00 H new ATOM 0 HA THR A 41 -4.419 -2.576 -9.347 1.00 0.00 H new ATOM 0 HB THR A 41 -5.810 -1.134 -10.550 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.173 -0.628 -8.060 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.057 -2.135 -10.405 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.765 -3.357 -10.339 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.616 -2.879 -8.850 1.00 0.00 H new ATOM 573 N GLN A 42 -3.445 -0.061 -9.350 1.00 0.00 N ATOM 574 CA GLN A 42 -2.683 1.171 -9.092 1.00 0.00 C ATOM 575 C GLN A 42 -3.583 2.382 -8.766 1.00 0.00 C ATOM 576 O GLN A 42 -3.071 3.439 -8.404 1.00 0.00 O ATOM 577 CB GLN A 42 -1.747 1.480 -10.275 1.00 0.00 C ATOM 578 CG GLN A 42 -0.603 0.463 -10.416 1.00 0.00 C ATOM 579 CD GLN A 42 0.411 0.901 -11.476 1.00 0.00 C ATOM 580 OE1 GLN A 42 0.111 1.011 -12.660 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.645 1.186 -11.106 1.00 0.00 N ATOM 0 H GLN A 42 -3.430 -0.371 -10.322 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.083 0.991 -8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.328 1.495 -11.197 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.326 2.477 -10.147 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.100 0.345 -9.456 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.012 -0.511 -10.683 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.916 1.101 -10.126 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.328 1.491 -11.800 1.00 0.00 H new ATOM 590 N SER A 43 -4.912 2.251 -8.863 1.00 0.00 N ATOM 591 CA SER A 43 -5.870 3.343 -8.635 1.00 0.00 C ATOM 592 C SER A 43 -6.652 3.203 -7.316 1.00 0.00 C ATOM 593 O SER A 43 -6.800 4.183 -6.580 1.00 0.00 O ATOM 594 CB SER A 43 -6.833 3.389 -9.831 1.00 0.00 C ATOM 595 OG SER A 43 -7.719 4.497 -9.753 1.00 0.00 O ATOM 0 H SER A 43 -5.361 1.368 -9.106 1.00 0.00 H new ATOM 0 HA SER A 43 -5.310 4.274 -8.546 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.260 3.446 -10.757 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.409 2.465 -9.869 1.00 0.00 H new ATOM 0 HG SER A 43 -8.315 4.494 -10.531 1.00 0.00 H new ATOM 601 N GLU A 44 -7.130 1.993 -6.988 1.00 0.00 N ATOM 602 CA GLU A 44 -8.080 1.744 -5.896 1.00 0.00 C ATOM 603 C GLU A 44 -8.267 0.247 -5.584 1.00 0.00 C ATOM 604 O GLU A 44 -7.862 -0.628 -6.358 1.00 0.00 O ATOM 605 CB GLU A 44 -9.441 2.395 -6.239 1.00 0.00 C ATOM 606 CG GLU A 44 -10.160 1.796 -7.459 1.00 0.00 C ATOM 607 CD GLU A 44 -11.401 2.611 -7.870 1.00 0.00 C ATOM 608 OE1 GLU A 44 -12.000 3.316 -7.024 1.00 0.00 O ATOM 609 OE2 GLU A 44 -11.787 2.543 -9.062 1.00 0.00 O ATOM 0 H GLU A 44 -6.861 1.144 -7.485 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.662 2.194 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.096 2.309 -5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.283 3.459 -6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.466 1.748 -8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.459 0.772 -7.234 1.00 0.00 H new ATOM 616 N LEU A 45 -8.936 -0.042 -4.462 1.00 0.00 N ATOM 617 CA LEU A 45 -9.428 -1.375 -4.109 1.00 0.00 C ATOM 618 C LEU A 45 -10.813 -1.601 -4.719 1.00 0.00 C ATOM 619 O LEU A 45 -11.637 -0.684 -4.728 1.00 0.00 O ATOM 620 CB LEU A 45 -9.524 -1.513 -2.574 1.00 0.00 C ATOM 621 CG LEU A 45 -8.254 -2.056 -1.906 1.00 0.00 C ATOM 622 CD1 LEU A 45 -8.418 -2.056 -0.385 1.00 0.00 C ATOM 623 CD2 LEU A 45 -7.965 -3.493 -2.349 1.00 0.00 C ATOM 0 H LEU A 45 -9.155 0.663 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.732 -2.117 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.755 -0.537 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.358 -2.172 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.429 -1.409 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.511 -2.443 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.597 -1.038 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.264 -2.687 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.059 -3.850 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.803 -4.134 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.827 -3.520 -3.430 1.00 0.00 H new ATOM 635 N VAL A 46 -11.076 -2.827 -5.179 1.00 0.00 N ATOM 636 CA VAL A 46 -12.356 -3.238 -5.782 1.00 0.00 C ATOM 637 C VAL A 46 -12.814 -4.594 -5.222 1.00 0.00 C ATOM 638 O VAL A 46 -12.050 -5.556 -5.224 1.00 0.00 O ATOM 639 CB VAL A 46 -12.246 -3.305 -7.326 1.00 0.00 C ATOM 640 CG1 VAL A 46 -13.600 -3.658 -7.969 1.00 0.00 C ATOM 641 CG2 VAL A 46 -11.725 -1.992 -7.942 1.00 0.00 C ATOM 0 H VAL A 46 -10.392 -3.582 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.102 -2.487 -5.523 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.522 -4.092 -7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.489 -3.697 -9.053 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.934 -4.629 -7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.336 -2.898 -7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.668 -2.096 -9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.404 -1.178 -7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.733 -1.773 -7.546 1.00 0.00 H new ATOM 651 N LEU A 47 -14.072 -4.671 -4.779 1.00 0.00 N ATOM 652 CA LEU A 47 -14.789 -5.898 -4.422 1.00 0.00 C ATOM 653 C LEU A 47 -15.812 -6.255 -5.500 1.00 0.00 C ATOM 654 O LEU A 47 -16.636 -5.425 -5.893 1.00 0.00 O ATOM 655 CB LEU A 47 -15.552 -5.745 -3.091 1.00 0.00 C ATOM 656 CG LEU A 47 -14.764 -6.050 -1.810 1.00 0.00 C ATOM 657 CD1 LEU A 47 -15.696 -5.883 -0.606 1.00 0.00 C ATOM 658 CD2 LEU A 47 -14.204 -7.475 -1.751 1.00 0.00 C ATOM 0 H LEU A 47 -14.646 -3.838 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.037 -6.681 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.924 -4.723 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.423 -6.400 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.922 -5.358 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.147 -6.097 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -16.070 -4.860 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.535 -6.573 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.660 -7.614 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.024 -8.191 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.528 -7.636 -2.591 1.00 0.00 H new ATOM 670 N HIS A 48 -15.803 -7.532 -5.869 1.00 0.00 N ATOM 671 CA HIS A 48 -16.760 -8.197 -6.754 1.00 0.00 C ATOM 672 C HIS A 48 -17.536 -9.283 -5.984 1.00 0.00 C ATOM 673 O HIS A 48 -16.918 -10.227 -5.483 1.00 0.00 O ATOM 674 CB HIS A 48 -15.981 -8.810 -7.929 1.00 0.00 C ATOM 675 CG HIS A 48 -15.169 -7.827 -8.732 1.00 0.00 C ATOM 676 ND1 HIS A 48 -15.676 -6.952 -9.695 1.00 0.00 N ATOM 677 CD2 HIS A 48 -13.812 -7.685 -8.669 1.00 0.00 C ATOM 678 CE1 HIS A 48 -14.607 -6.304 -10.188 1.00 0.00 C ATOM 679 NE2 HIS A 48 -13.475 -6.723 -9.592 1.00 0.00 N ATOM 0 H HIS A 48 -15.082 -8.173 -5.538 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.488 -7.478 -7.131 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.314 -9.580 -7.542 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.687 -9.306 -8.595 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.136 -8.223 -8.021 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.650 -5.549 -10.959 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.533 -6.386 -9.790 1.00 0.00 H new ATOM 687 N LEU A 49 -18.862 -9.155 -5.864 1.00 0.00 N ATOM 688 CA LEU A 49 -19.753 -10.080 -5.139 1.00 0.00 C ATOM 689 C LEU A 49 -20.874 -10.589 -6.065 1.00 0.00 C ATOM 690 O LEU A 49 -21.198 -9.963 -7.074 1.00 0.00 O ATOM 691 CB LEU A 49 -20.357 -9.373 -3.901 1.00 0.00 C ATOM 692 CG LEU A 49 -19.495 -9.375 -2.617 1.00 0.00 C ATOM 693 CD1 LEU A 49 -18.312 -8.399 -2.667 1.00 0.00 C ATOM 694 CD2 LEU A 49 -20.369 -9.002 -1.409 1.00 0.00 C ATOM 0 H LEU A 49 -19.368 -8.375 -6.284 1.00 0.00 H new ATOM 0 HA LEU A 49 -19.168 -10.937 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -20.568 -8.338 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -21.313 -9.844 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 49 -19.088 -10.383 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.754 -8.456 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -17.657 -8.663 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -18.684 -7.384 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -19.760 -9.004 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -20.793 -8.009 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -21.175 -9.728 -1.305 1.00 0.00 H new ATOM 786 N ALA A 54 -20.819 -4.226 -7.316 1.00 0.00 N ATOM 787 CA ALA A 54 -19.382 -4.023 -7.102 1.00 0.00 C ATOM 788 C ALA A 54 -19.113 -2.786 -6.219 1.00 0.00 C ATOM 789 O ALA A 54 -19.778 -1.756 -6.369 1.00 0.00 O ATOM 790 CB ALA A 54 -18.683 -3.922 -8.464 1.00 0.00 C ATOM 0 HA ALA A 54 -18.973 -4.876 -6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.614 -3.771 -8.314 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -18.844 -4.843 -9.025 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -19.094 -3.081 -9.022 1.00 0.00 H new ATOM 796 N VAL A 55 -18.129 -2.872 -5.317 1.00 0.00 N ATOM 797 CA VAL A 55 -17.848 -1.833 -4.298 1.00 0.00 C ATOM 798 C VAL A 55 -16.378 -1.435 -4.324 1.00 0.00 C ATOM 799 O VAL A 55 -15.517 -2.299 -4.444 1.00 0.00 O ATOM 800 CB VAL A 55 -18.243 -2.253 -2.864 1.00 0.00 C ATOM 801 CG1 VAL A 55 -18.291 -1.024 -1.944 1.00 0.00 C ATOM 802 CG2 VAL A 55 -19.623 -2.913 -2.789 1.00 0.00 C ATOM 0 H VAL A 55 -17.495 -3.669 -5.266 1.00 0.00 H new ATOM 0 HA VAL A 55 -18.471 -0.980 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 55 -17.485 -2.971 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.570 -1.334 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -17.310 -0.550 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -19.027 -0.315 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -19.841 -3.184 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -20.380 -2.216 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.632 -3.809 -3.409 1.00 0.00 H new ATOM 812 N ARG A 56 -16.100 -0.130 -4.247 1.00 0.00 N ATOM 813 CA ARG A 56 -14.760 0.430 -4.470 1.00 0.00 C ATOM 814 C ARG A 56 -14.344 1.467 -3.420 1.00 0.00 C ATOM 815 O ARG A 56 -15.175 2.225 -2.910 1.00 0.00 O ATOM 816 CB ARG A 56 -14.653 1.059 -5.872 1.00 0.00 C ATOM 817 CG ARG A 56 -14.937 0.107 -7.051 1.00 0.00 C ATOM 818 CD ARG A 56 -16.408 -0.004 -7.488 1.00 0.00 C ATOM 819 NE ARG A 56 -16.980 1.298 -7.869 1.00 0.00 N ATOM 820 CZ ARG A 56 -16.815 1.937 -9.022 1.00 0.00 C ATOM 821 NH1 ARG A 56 -16.106 1.430 -10.010 1.00 0.00 N ATOM 822 NH2 ARG A 56 -17.369 3.116 -9.201 1.00 0.00 N ATOM 0 H ARG A 56 -16.803 0.575 -4.026 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.075 -0.413 -4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.348 1.897 -5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.650 1.468 -5.992 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.348 0.435 -7.907 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.582 -0.888 -6.782 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.483 -0.691 -8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.995 -0.432 -6.675 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.566 1.759 -7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.662 0.518 -9.903 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.001 1.950 -10.881 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -17.924 3.537 -8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.244 3.609 -10.085 1.00 0.00 H new ATOM 836 N TRP A 57 -13.035 1.534 -3.153 1.00 0.00 N ATOM 837 CA TRP A 57 -12.407 2.457 -2.199 1.00 0.00 C ATOM 838 C TRP A 57 -11.065 2.991 -2.745 1.00 0.00 C ATOM 839 O TRP A 57 -10.117 2.203 -2.856 1.00 0.00 O ATOM 840 CB TRP A 57 -12.188 1.743 -0.853 1.00 0.00 C ATOM 841 CG TRP A 57 -13.430 1.288 -0.159 1.00 0.00 C ATOM 842 CD1 TRP A 57 -14.174 2.010 0.713 1.00 0.00 C ATOM 843 CD2 TRP A 57 -14.109 0.005 -0.293 1.00 0.00 C ATOM 844 NE1 TRP A 57 -15.255 1.262 1.135 1.00 0.00 N ATOM 845 CE2 TRP A 57 -15.255 0.009 0.559 1.00 0.00 C ATOM 846 CE3 TRP A 57 -13.873 -1.160 -1.058 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -16.105 -1.091 0.668 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -14.744 -2.261 -0.982 1.00 0.00 C ATOM 849 CH2 TRP A 57 -15.855 -2.221 -0.124 1.00 0.00 C ATOM 0 H TRP A 57 -12.358 0.925 -3.612 1.00 0.00 H new ATOM 0 HA TRP A 57 -13.072 3.308 -2.052 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.548 0.877 -1.021 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.646 2.416 -0.188 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.955 3.019 1.030 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -15.963 1.594 1.789 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -13.013 -1.205 -1.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.942 -1.073 1.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.558 -3.138 -1.584 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.523 -3.068 -0.074 1.00 0.00 H new ATOM 860 N PRO A 58 -10.948 4.298 -3.069 1.00 0.00 N ATOM 861 CA PRO A 58 -9.674 4.911 -3.437 1.00 0.00 C ATOM 862 C PRO A 58 -8.719 4.905 -2.247 1.00 0.00 C ATOM 863 O PRO A 58 -9.140 5.042 -1.100 1.00 0.00 O ATOM 864 CB PRO A 58 -10.000 6.343 -3.875 1.00 0.00 C ATOM 865 CG PRO A 58 -11.297 6.660 -3.138 1.00 0.00 C ATOM 866 CD PRO A 58 -12.004 5.307 -3.083 1.00 0.00 C ATOM 0 HA PRO A 58 -9.181 4.362 -4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.204 7.036 -3.602 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.126 6.412 -4.955 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.107 7.056 -2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.891 7.404 -3.669 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.629 5.230 -2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.659 5.174 -3.944 1.00 0.00 H new ATOM 874 N TYR A 59 -7.418 4.795 -2.512 1.00 0.00 N ATOM 875 CA TYR A 59 -6.407 4.768 -1.447 1.00 0.00 C ATOM 876 C TYR A 59 -6.365 6.054 -0.598 1.00 0.00 C ATOM 877 O TYR A 59 -5.931 6.015 0.553 1.00 0.00 O ATOM 878 CB TYR A 59 -5.044 4.443 -2.066 1.00 0.00 C ATOM 879 CG TYR A 59 -4.971 3.098 -2.769 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.372 1.926 -2.096 1.00 0.00 C ATOM 881 CD2 TYR A 59 -4.477 3.006 -4.085 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.297 0.676 -2.732 1.00 0.00 C ATOM 883 CE2 TYR A 59 -4.391 1.754 -4.724 1.00 0.00 C ATOM 884 CZ TYR A 59 -4.806 0.583 -4.049 1.00 0.00 C ATOM 885 OH TYR A 59 -4.735 -0.634 -4.651 1.00 0.00 O ATOM 0 H TYR A 59 -7.035 4.723 -3.455 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.686 3.986 -0.741 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.789 5.226 -2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.288 4.469 -1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.740 1.990 -1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.163 3.899 -4.606 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.616 -0.215 -2.211 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.007 1.688 -5.731 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.376 -0.530 -5.557 1.00 0.00 H new ATOM 895 N LEU A 60 -6.907 7.162 -1.123 1.00 0.00 N ATOM 896 CA LEU A 60 -7.128 8.421 -0.413 1.00 0.00 C ATOM 897 C LEU A 60 -8.105 8.282 0.764 1.00 0.00 C ATOM 898 O LEU A 60 -7.848 8.803 1.849 1.00 0.00 O ATOM 899 CB LEU A 60 -7.648 9.462 -1.425 1.00 0.00 C ATOM 900 CG LEU A 60 -6.865 10.778 -1.352 1.00 0.00 C ATOM 901 CD1 LEU A 60 -7.441 11.749 -2.382 1.00 0.00 C ATOM 902 CD2 LEU A 60 -6.883 11.432 0.036 1.00 0.00 C ATOM 0 H LEU A 60 -7.215 7.203 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.180 8.740 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.577 9.054 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.703 9.657 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.822 10.542 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.893 12.690 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.349 11.319 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.493 11.932 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.309 12.358 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.912 11.651 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.441 10.752 0.764 1.00 0.00 H new ATOM 914 N CYS A 61 -9.226 7.581 0.553 1.00 0.00 N ATOM 915 CA CYS A 61 -10.284 7.442 1.570 1.00 0.00 C ATOM 916 C CYS A 61 -9.961 6.429 2.683 1.00 0.00 C ATOM 917 O CYS A 61 -10.630 6.442 3.720 1.00 0.00 O ATOM 918 CB CYS A 61 -11.638 7.149 0.899 1.00 0.00 C ATOM 919 SG CYS A 61 -11.812 5.381 0.506 1.00 0.00 S ATOM 0 H CYS A 61 -9.428 7.096 -0.321 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.345 8.402 2.083 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.448 7.458 1.559 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.729 7.737 -0.014 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.795 4.992 -0.205 1.00 0.00 H new ATOM 925 N LEU A 62 -8.955 5.566 2.486 1.00 0.00 N ATOM 926 CA LEU A 62 -8.524 4.578 3.477 1.00 0.00 C ATOM 927 C LEU A 62 -7.803 5.278 4.636 1.00 0.00 C ATOM 928 O LEU A 62 -6.724 5.849 4.464 1.00 0.00 O ATOM 929 CB LEU A 62 -7.631 3.498 2.836 1.00 0.00 C ATOM 930 CG LEU A 62 -8.284 2.650 1.725 1.00 0.00 C ATOM 931 CD1 LEU A 62 -7.289 1.565 1.292 1.00 0.00 C ATOM 932 CD2 LEU A 62 -9.599 1.990 2.165 1.00 0.00 C ATOM 0 H LEU A 62 -8.413 5.536 1.623 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.407 4.075 3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.748 3.984 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.286 2.827 3.622 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.529 3.319 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.735 0.955 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.380 2.034 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.045 0.934 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.008 1.408 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.410 1.333 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.314 2.760 2.455 1.00 0.00 H new ATOM 944 N ARG A 63 -8.400 5.206 5.827 1.00 0.00 N ATOM 945 CA ARG A 63 -7.845 5.757 7.068 1.00 0.00 C ATOM 946 C ARG A 63 -6.766 4.841 7.664 1.00 0.00 C ATOM 947 O ARG A 63 -5.796 5.340 8.237 1.00 0.00 O ATOM 948 CB ARG A 63 -8.979 5.971 8.082 1.00 0.00 C ATOM 949 CG ARG A 63 -10.080 6.951 7.637 1.00 0.00 C ATOM 950 CD ARG A 63 -9.582 8.383 7.386 1.00 0.00 C ATOM 951 NE ARG A 63 -8.892 8.943 8.562 1.00 0.00 N ATOM 952 CZ ARG A 63 -9.437 9.455 9.658 1.00 0.00 C ATOM 953 NH1 ARG A 63 -10.739 9.586 9.804 1.00 0.00 N ATOM 954 NH2 ARG A 63 -8.655 9.846 10.639 1.00 0.00 N ATOM 0 H ARG A 63 -9.304 4.753 5.960 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.371 6.711 6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.439 5.007 8.298 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.547 6.334 9.015 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.541 6.573 6.724 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.858 6.977 8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.904 8.386 6.532 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.427 9.020 7.124 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.873 8.936 8.529 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.368 9.289 9.058 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.118 9.985 10.663 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.643 9.754 10.552 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.060 10.241 11.487 1.00 0.00 H new ATOM 968 N ARG A 64 -6.907 3.517 7.486 1.00 0.00 N ATOM 969 CA ARG A 64 -5.957 2.475 7.913 1.00 0.00 C ATOM 970 C ARG A 64 -6.275 1.122 7.262 1.00 0.00 C ATOM 971 O ARG A 64 -7.412 0.887 6.841 1.00 0.00 O ATOM 972 CB ARG A 64 -5.902 2.384 9.456 1.00 0.00 C ATOM 973 CG ARG A 64 -6.942 1.450 10.100 1.00 0.00 C ATOM 974 CD ARG A 64 -6.944 1.571 11.629 1.00 0.00 C ATOM 975 NE ARG A 64 -7.680 2.762 12.071 1.00 0.00 N ATOM 976 CZ ARG A 64 -7.678 3.323 13.270 1.00 0.00 C ATOM 977 NH1 ARG A 64 -6.904 2.912 14.255 1.00 0.00 N ATOM 978 NH2 ARG A 64 -8.495 4.328 13.467 1.00 0.00 N ATOM 0 H ARG A 64 -7.725 3.125 7.019 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.963 2.759 7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.907 2.048 9.748 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.034 3.385 9.867 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.933 1.689 9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.730 0.419 9.817 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.395 0.680 12.065 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.918 1.620 11.993 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.265 3.213 11.367 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.269 2.127 14.111 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.940 3.379 15.161 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.100 4.649 12.711 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.526 4.790 14.376 1.00 0.00 H new ATOM 992 N TYR A 65 -5.293 0.222 7.225 1.00 0.00 N ATOM 993 CA TYR A 65 -5.401 -1.127 6.647 1.00 0.00 C ATOM 994 C TYR A 65 -4.464 -2.108 7.371 1.00 0.00 C ATOM 995 O TYR A 65 -3.274 -1.834 7.553 1.00 0.00 O ATOM 996 CB TYR A 65 -5.143 -1.093 5.130 1.00 0.00 C ATOM 997 CG TYR A 65 -3.787 -0.548 4.710 1.00 0.00 C ATOM 998 CD1 TYR A 65 -3.599 0.843 4.595 1.00 0.00 C ATOM 999 CD2 TYR A 65 -2.709 -1.422 4.458 1.00 0.00 C ATOM 1000 CE1 TYR A 65 -2.338 1.360 4.258 1.00 0.00 C ATOM 1001 CE2 TYR A 65 -1.443 -0.909 4.116 1.00 0.00 C ATOM 1002 CZ TYR A 65 -1.254 0.489 4.018 1.00 0.00 C ATOM 1003 OH TYR A 65 -0.035 1.014 3.716 1.00 0.00 O ATOM 0 H TYR A 65 -4.367 0.413 7.608 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.419 -1.487 6.793 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.246 -2.105 4.739 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.919 -0.489 4.660 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.428 1.514 4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.855 -2.490 4.528 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.197 2.428 4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.619 -1.581 3.929 1.00 0.00 H new ATOM 0 HH TYR A 65 0.061 1.888 4.148 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.028 -3.221 7.849 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.370 -4.180 8.743 1.00 0.00 C ATOM 1015 C GLY A 66 -4.741 -5.632 8.455 1.00 0.00 C ATOM 1016 O GLY A 66 -5.625 -5.930 7.647 1.00 0.00 O ATOM 0 H GLY A 66 -5.985 -3.488 7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.290 -4.065 8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.633 -3.943 9.774 1.00 0.00 H new ATOM 1020 N TYR A 67 -4.050 -6.539 9.141 1.00 0.00 N ATOM 1021 CA TYR A 67 -4.097 -7.981 8.879 1.00 0.00 C ATOM 1022 C TYR A 67 -3.770 -8.812 10.137 1.00 0.00 C ATOM 1023 O TYR A 67 -2.926 -8.428 10.949 1.00 0.00 O ATOM 1024 CB TYR A 67 -3.140 -8.326 7.714 1.00 0.00 C ATOM 1025 CG TYR A 67 -1.724 -8.646 8.164 1.00 0.00 C ATOM 1026 CD1 TYR A 67 -0.863 -7.614 8.582 1.00 0.00 C ATOM 1027 CD2 TYR A 67 -1.315 -9.990 8.275 1.00 0.00 C ATOM 1028 CE1 TYR A 67 0.411 -7.919 9.102 1.00 0.00 C ATOM 1029 CE2 TYR A 67 -0.043 -10.303 8.793 1.00 0.00 C ATOM 1030 CZ TYR A 67 0.827 -9.266 9.201 1.00 0.00 C ATOM 1031 OH TYR A 67 2.056 -9.573 9.707 1.00 0.00 O ATOM 0 H TYR A 67 -3.428 -6.290 9.911 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.116 -8.243 8.594 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.540 -9.180 7.167 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.110 -7.487 7.019 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.180 -6.584 8.504 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.979 -10.782 7.962 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.068 -7.125 9.424 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.267 -11.334 8.878 1.00 0.00 H new ATOM 0 HH TYR A 67 2.178 -10.545 9.704 1.00 0.00 H new ATOM 1041 N ASP A 68 -4.408 -9.970 10.277 1.00 0.00 N ATOM 1042 CA ASP A 68 -4.193 -10.961 11.336 1.00 0.00 C ATOM 1043 C ASP A 68 -4.281 -12.379 10.735 1.00 0.00 C ATOM 1044 O ASP A 68 -4.473 -12.546 9.527 1.00 0.00 O ATOM 1045 CB ASP A 68 -5.224 -10.750 12.469 1.00 0.00 C ATOM 1046 CG ASP A 68 -4.668 -11.081 13.870 1.00 0.00 C ATOM 1047 OD1 ASP A 68 -4.063 -12.167 14.043 1.00 0.00 O ATOM 1048 OD2 ASP A 68 -4.864 -10.267 14.805 1.00 0.00 O ATOM 0 H ASP A 68 -5.131 -10.262 9.619 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.200 -10.839 11.769 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.562 -9.714 12.455 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.098 -11.372 12.276 1.00 0.00 H new ATOM 1053 N SER A 69 -4.161 -13.416 11.560 1.00 0.00 N ATOM 1054 CA SER A 69 -4.356 -14.801 11.122 1.00 0.00 C ATOM 1055 C SER A 69 -5.774 -14.999 10.559 1.00 0.00 C ATOM 1056 O SER A 69 -6.786 -14.797 11.237 1.00 0.00 O ATOM 1057 CB SER A 69 -4.080 -15.778 12.264 1.00 0.00 C ATOM 1058 OG SER A 69 -4.116 -17.130 11.817 1.00 0.00 O ATOM 0 H SER A 69 -3.927 -13.324 12.548 1.00 0.00 H new ATOM 0 HA SER A 69 -3.643 -15.008 10.324 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.104 -15.564 12.699 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.819 -15.635 13.053 1.00 0.00 H new ATOM 0 HG SER A 69 -3.934 -17.729 12.571 1.00 0.00 H new ATOM 1064 N ASN A 70 -5.819 -15.347 9.273 1.00 0.00 N ATOM 1065 CA ASN A 70 -7.019 -15.534 8.447 1.00 0.00 C ATOM 1066 C ASN A 70 -7.921 -14.276 8.297 1.00 0.00 C ATOM 1067 O ASN A 70 -9.057 -14.407 7.839 1.00 0.00 O ATOM 1068 CB ASN A 70 -7.792 -16.775 8.944 1.00 0.00 C ATOM 1069 CG ASN A 70 -8.825 -17.306 7.947 1.00 0.00 C ATOM 1070 OD1 ASN A 70 -8.663 -17.230 6.734 1.00 0.00 O ATOM 1071 ND2 ASN A 70 -9.919 -17.866 8.430 1.00 0.00 N ATOM 0 H ASN A 70 -4.964 -15.518 8.743 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.678 -15.706 7.426 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.079 -17.568 9.170 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.297 -16.526 9.877 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.627 -18.234 7.794 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.056 -17.931 9.439 1.00 0.00 H new ATOM 1078 N LEU A 71 -7.477 -13.063 8.671 1.00 0.00 N ATOM 1079 CA LEU A 71 -8.322 -11.865 8.768 1.00 0.00 C ATOM 1080 C LEU A 71 -7.661 -10.643 8.115 1.00 0.00 C ATOM 1081 O LEU A 71 -6.539 -10.281 8.458 1.00 0.00 O ATOM 1082 CB LEU A 71 -8.612 -11.631 10.270 1.00 0.00 C ATOM 1083 CG LEU A 71 -9.831 -10.768 10.649 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -9.615 -9.268 10.415 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -11.103 -11.258 9.946 1.00 0.00 C ATOM 0 H LEU A 71 -6.503 -12.887 8.918 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.254 -12.015 8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.734 -12.606 10.742 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.728 -11.172 10.712 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.960 -10.892 11.724 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.513 -8.722 10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.773 -8.924 11.015 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.405 -9.091 9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.944 -10.628 10.235 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.965 -11.206 8.866 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.305 -12.289 10.237 1.00 0.00 H new ATOM 1097 N PHE A 72 -8.383 -9.982 7.210 1.00 0.00 N ATOM 1098 CA PHE A 72 -8.017 -8.708 6.585 1.00 0.00 C ATOM 1099 C PHE A 72 -9.109 -7.660 6.851 1.00 0.00 C ATOM 1100 O PHE A 72 -10.295 -7.970 6.824 1.00 0.00 O ATOM 1101 CB PHE A 72 -7.813 -8.926 5.077 1.00 0.00 C ATOM 1102 CG PHE A 72 -7.614 -7.633 4.314 1.00 0.00 C ATOM 1103 CD1 PHE A 72 -6.455 -6.862 4.524 1.00 0.00 C ATOM 1104 CD2 PHE A 72 -8.635 -7.147 3.474 1.00 0.00 C ATOM 1105 CE1 PHE A 72 -6.336 -5.593 3.933 1.00 0.00 C ATOM 1106 CE2 PHE A 72 -8.505 -5.886 2.870 1.00 0.00 C ATOM 1107 CZ PHE A 72 -7.369 -5.101 3.116 1.00 0.00 C ATOM 0 H PHE A 72 -9.280 -10.335 6.877 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.086 -8.338 7.014 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.947 -9.570 4.922 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.677 -9.452 4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.656 -7.247 5.140 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.517 -7.744 3.295 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.452 -4.996 4.106 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.281 -5.520 2.215 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.288 -4.117 2.677 1.00 0.00 H new ATOM 1117 N SER A 73 -8.732 -6.410 7.109 1.00 0.00 N ATOM 1118 CA SER A 73 -9.660 -5.317 7.412 1.00 0.00 C ATOM 1119 C SER A 73 -9.097 -3.933 7.040 1.00 0.00 C ATOM 1120 O SER A 73 -7.879 -3.719 7.013 1.00 0.00 O ATOM 1121 CB SER A 73 -10.014 -5.370 8.900 1.00 0.00 C ATOM 1122 OG SER A 73 -11.058 -4.461 9.194 1.00 0.00 O ATOM 0 H SER A 73 -7.754 -6.120 7.114 1.00 0.00 H new ATOM 0 HA SER A 73 -10.553 -5.455 6.802 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.317 -6.381 9.172 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.135 -5.129 9.498 1.00 0.00 H new ATOM 0 HG SER A 73 -10.677 -3.626 9.537 1.00 0.00 H new ATOM 1128 N PHE A 74 -9.998 -2.976 6.796 1.00 0.00 N ATOM 1129 CA PHE A 74 -9.685 -1.582 6.484 1.00 0.00 C ATOM 1130 C PHE A 74 -10.763 -0.621 7.011 1.00 0.00 C ATOM 1131 O PHE A 74 -11.931 -0.986 7.170 1.00 0.00 O ATOM 1132 CB PHE A 74 -9.444 -1.419 4.971 1.00 0.00 C ATOM 1133 CG PHE A 74 -10.637 -1.728 4.079 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -11.595 -0.734 3.803 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -10.777 -3.006 3.501 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -12.686 -1.018 2.963 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -11.859 -3.287 2.645 1.00 0.00 C ATOM 1138 CZ PHE A 74 -12.818 -2.293 2.383 1.00 0.00 C ATOM 0 H PHE A 74 -11.001 -3.160 6.811 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.764 -1.312 7.001 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.126 -0.394 4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.618 -2.068 4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.492 0.249 4.238 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.050 -3.775 3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.424 -0.256 2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.952 -4.263 2.191 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.656 -2.508 1.737 1.00 0.00 H new ATOM 1148 N GLU A 75 -10.351 0.621 7.276 1.00 0.00 N ATOM 1149 CA GLU A 75 -11.207 1.729 7.712 1.00 0.00 C ATOM 1150 C GLU A 75 -11.295 2.775 6.596 1.00 0.00 C ATOM 1151 O GLU A 75 -10.293 3.082 5.952 1.00 0.00 O ATOM 1152 CB GLU A 75 -10.618 2.358 8.985 1.00 0.00 C ATOM 1153 CG GLU A 75 -11.495 3.477 9.574 1.00 0.00 C ATOM 1154 CD GLU A 75 -10.904 4.046 10.871 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -9.683 4.318 10.911 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -11.653 4.238 11.854 1.00 0.00 O ATOM 0 H GLU A 75 -9.372 0.894 7.189 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.209 1.359 7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.481 1.580 9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.631 2.761 8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.602 4.278 8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.495 3.089 9.770 1.00 0.00 H new ATOM 1163 N SER A 76 -12.470 3.366 6.391 1.00 0.00 N ATOM 1164 CA SER A 76 -12.707 4.373 5.348 1.00 0.00 C ATOM 1165 C SER A 76 -13.588 5.536 5.835 1.00 0.00 C ATOM 1166 O SER A 76 -14.411 5.383 6.746 1.00 0.00 O ATOM 1167 CB SER A 76 -13.278 3.707 4.084 1.00 0.00 C ATOM 1168 OG SER A 76 -14.460 2.964 4.347 1.00 0.00 O ATOM 0 H SER A 76 -13.298 3.159 6.950 1.00 0.00 H new ATOM 0 HA SER A 76 -11.745 4.818 5.096 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.493 4.473 3.339 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.525 3.046 3.654 1.00 0.00 H new ATOM 0 HG SER A 76 -14.786 2.562 3.515 1.00 0.00 H new ATOM 1174 N GLY A 77 -13.378 6.726 5.252 1.00 0.00 N ATOM 1175 CA GLY A 77 -14.095 7.968 5.587 1.00 0.00 C ATOM 1176 C GLY A 77 -15.411 8.146 4.821 1.00 0.00 C ATOM 1177 O GLY A 77 -15.723 7.389 3.901 1.00 0.00 O ATOM 0 H GLY A 77 -12.686 6.856 4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.303 7.979 6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.446 8.819 5.379 1.00 0.00 H new ATOM 1181 N ARG A 78 -16.180 9.189 5.167 1.00 0.00 N ATOM 1182 CA ARG A 78 -17.533 9.438 4.620 1.00 0.00 C ATOM 1183 C ARG A 78 -17.586 9.713 3.103 1.00 0.00 C ATOM 1184 O ARG A 78 -18.660 9.656 2.505 1.00 0.00 O ATOM 1185 CB ARG A 78 -18.247 10.532 5.446 1.00 0.00 C ATOM 1186 CG ARG A 78 -17.800 11.985 5.179 1.00 0.00 C ATOM 1187 CD ARG A 78 -18.690 12.701 4.149 1.00 0.00 C ATOM 1188 NE ARG A 78 -18.260 14.093 3.936 1.00 0.00 N ATOM 1189 CZ ARG A 78 -18.822 14.964 3.103 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -19.861 14.648 2.357 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -18.336 16.183 3.006 1.00 0.00 N ATOM 0 H ARG A 78 -15.882 9.894 5.841 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.079 8.500 4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.318 10.462 5.255 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.097 10.316 6.504 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.814 12.543 6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -16.769 11.984 4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.659 12.161 3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -19.725 12.687 4.490 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.458 14.419 4.476 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -20.259 13.710 2.408 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -20.267 15.341 1.729 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -17.531 16.457 3.569 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -18.765 16.854 2.368 1.00 0.00 H new ATOM 1205 N ARG A 79 -16.433 10.003 2.486 1.00 0.00 N ATOM 1206 CA ARG A 79 -16.275 10.368 1.069 1.00 0.00 C ATOM 1207 C ARG A 79 -16.345 9.192 0.074 1.00 0.00 C ATOM 1208 O ARG A 79 -16.505 9.418 -1.127 1.00 0.00 O ATOM 1209 CB ARG A 79 -14.960 11.150 0.911 1.00 0.00 C ATOM 1210 CG ARG A 79 -13.700 10.287 1.119 1.00 0.00 C ATOM 1211 CD ARG A 79 -12.429 11.140 1.156 1.00 0.00 C ATOM 1212 NE ARG A 79 -12.293 11.871 2.432 1.00 0.00 N ATOM 1213 CZ ARG A 79 -11.378 12.791 2.722 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -10.473 13.179 1.848 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -11.363 13.339 3.918 1.00 0.00 N ATOM 0 H ARG A 79 -15.542 9.989 2.983 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.135 10.983 0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.927 11.592 -0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.948 11.973 1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.791 9.729 2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.624 9.555 0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.558 10.501 1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.445 11.851 0.330 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.968 11.648 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.459 12.771 0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.786 13.888 2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.051 13.057 4.617 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.664 14.045 4.147 1.00 0.00 H new ATOM 1229 N CYS A 80 -16.194 7.952 0.551 1.00 0.00 N ATOM 1230 CA CYS A 80 -16.168 6.738 -0.284 1.00 0.00 C ATOM 1231 C CYS A 80 -17.573 6.259 -0.720 1.00 0.00 C ATOM 1232 O CYS A 80 -18.589 6.870 -0.379 1.00 0.00 O ATOM 1233 CB CYS A 80 -15.361 5.659 0.459 1.00 0.00 C ATOM 1234 SG CYS A 80 -16.311 4.976 1.842 1.00 0.00 S ATOM 0 H CYS A 80 -16.084 7.756 1.546 1.00 0.00 H new ATOM 0 HA CYS A 80 -15.674 6.968 -1.228 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -15.092 4.860 -0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -14.429 6.087 0.829 1.00 0.00 H new ATOM 0 HG CYS A 80 -16.224 5.774 2.864 1.00 0.00 H new ATOM 1240 N GLN A 81 -17.631 5.149 -1.466 1.00 0.00 N ATOM 1241 CA GLN A 81 -18.872 4.568 -2.002 1.00 0.00 C ATOM 1242 C GLN A 81 -19.861 4.126 -0.906 1.00 0.00 C ATOM 1243 O GLN A 81 -21.074 4.271 -1.077 1.00 0.00 O ATOM 1244 CB GLN A 81 -18.489 3.392 -2.923 1.00 0.00 C ATOM 1245 CG GLN A 81 -19.710 2.629 -3.469 1.00 0.00 C ATOM 1246 CD GLN A 81 -19.395 1.656 -4.611 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -18.326 1.652 -5.212 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -20.312 0.772 -4.941 1.00 0.00 N ATOM 0 H GLN A 81 -16.799 4.617 -1.720 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.401 5.338 -2.564 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.901 3.770 -3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.852 2.700 -2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.170 2.073 -2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.448 3.352 -3.818 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.207 0.759 -4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.127 0.099 -5.685 1.00 0.00 H new ATOM 1257 N THR A 82 -19.351 3.597 0.213 1.00 0.00 N ATOM 1258 CA THR A 82 -20.143 3.010 1.311 1.00 0.00 C ATOM 1259 C THR A 82 -20.444 3.972 2.451 1.00 0.00 C ATOM 1260 O THR A 82 -21.380 3.743 3.218 1.00 0.00 O ATOM 1261 CB THR A 82 -19.417 1.785 1.870 1.00 0.00 C ATOM 1262 OG1 THR A 82 -18.073 2.098 2.180 1.00 0.00 O ATOM 1263 CG2 THR A 82 -19.406 0.681 0.820 1.00 0.00 C ATOM 0 H THR A 82 -18.347 3.563 0.389 1.00 0.00 H new ATOM 0 HA THR A 82 -21.104 2.739 0.873 1.00 0.00 H new ATOM 0 HB THR A 82 -19.938 1.464 2.772 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.783 1.567 2.951 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.889 -0.193 1.216 1.00 0.00 H new ATOM 0 HG22 THR A 82 -20.431 0.412 0.565 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.890 1.034 -0.073 1.00 0.00 H new ATOM 1271 N GLY A 83 -19.651 5.036 2.563 1.00 0.00 N ATOM 1272 CA GLY A 83 -19.642 5.958 3.701 1.00 0.00 C ATOM 1273 C GLY A 83 -18.723 5.472 4.827 1.00 0.00 C ATOM 1274 O GLY A 83 -18.060 4.439 4.715 1.00 0.00 O ATOM 0 H GLY A 83 -18.975 5.290 1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.316 6.943 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -20.656 6.071 4.084 1.00 0.00 H new ATOM 1278 N GLN A 84 -18.669 6.244 5.914 1.00 0.00 N ATOM 1279 CA GLN A 84 -17.720 6.045 7.009 1.00 0.00 C ATOM 1280 C GLN A 84 -17.976 4.726 7.754 1.00 0.00 C ATOM 1281 O GLN A 84 -19.103 4.449 8.174 1.00 0.00 O ATOM 1282 CB GLN A 84 -17.792 7.266 7.944 1.00 0.00 C ATOM 1283 CG GLN A 84 -16.651 7.339 8.971 1.00 0.00 C ATOM 1284 CD GLN A 84 -16.829 6.443 10.197 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -17.875 6.394 10.834 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -15.804 5.726 10.607 1.00 0.00 N ATOM 0 H GLN A 84 -19.294 7.037 6.060 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.710 5.962 6.607 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.781 8.173 7.340 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -18.744 7.248 8.475 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.718 7.070 8.475 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -16.549 8.371 9.306 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -14.924 5.752 10.091 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -15.889 5.144 11.440 1.00 0.00 H new ATOM 1295 N GLY A 85 -16.922 3.923 7.936 1.00 0.00 N ATOM 1296 CA GLY A 85 -16.975 2.663 8.671 1.00 0.00 C ATOM 1297 C GLY A 85 -15.729 1.803 8.494 1.00 0.00 C ATOM 1298 O GLY A 85 -14.756 2.184 7.837 1.00 0.00 O ATOM 0 H GLY A 85 -15.995 4.138 7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.113 2.875 9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.847 2.097 8.344 1.00 0.00 H new ATOM 1302 N ILE A 86 -15.778 0.625 9.107 1.00 0.00 N ATOM 1303 CA ILE A 86 -14.756 -0.428 9.039 1.00 0.00 C ATOM 1304 C ILE A 86 -15.403 -1.706 8.496 1.00 0.00 C ATOM 1305 O ILE A 86 -16.523 -2.045 8.891 1.00 0.00 O ATOM 1306 CB ILE A 86 -14.153 -0.646 10.446 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -13.436 0.629 10.939 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -13.182 -1.843 10.472 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -13.181 0.618 12.444 1.00 0.00 C ATOM 0 H ILE A 86 -16.568 0.360 9.695 1.00 0.00 H new ATOM 0 HA ILE A 86 -13.946 -0.140 8.369 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.980 -0.870 11.120 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.486 0.732 10.415 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.038 1.501 10.683 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.780 -1.963 11.478 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.714 -2.749 10.183 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.365 -1.664 9.773 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.675 1.539 12.734 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.131 0.544 12.973 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.555 -0.237 12.701 1.00 0.00 H new ATOM 1321 N PHE A 87 -14.686 -2.416 7.622 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.152 -3.625 6.940 1.00 0.00 C ATOM 1323 C PHE A 87 -14.069 -4.714 7.000 1.00 0.00 C ATOM 1324 O PHE A 87 -12.916 -4.465 6.636 1.00 0.00 O ATOM 1325 CB PHE A 87 -15.520 -3.274 5.488 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.553 -2.170 5.352 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -17.918 -2.452 5.557 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.155 -0.856 5.033 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.878 -1.431 5.442 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.116 0.166 4.924 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.477 -0.121 5.129 1.00 0.00 C ATOM 0 H PHE A 87 -13.735 -2.157 7.361 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.040 -4.016 7.437 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.615 -2.975 4.959 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -15.897 -4.170 4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.228 -3.457 5.804 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.111 -0.633 4.872 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -19.924 -1.654 5.594 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.808 1.172 4.682 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.214 0.665 5.046 1.00 0.00 H new ATOM 1341 N ALA A 88 -14.443 -5.916 7.456 1.00 0.00 N ATOM 1342 CA ALA A 88 -13.525 -7.022 7.739 1.00 0.00 C ATOM 1343 C ALA A 88 -13.912 -8.317 7.007 1.00 0.00 C ATOM 1344 O ALA A 88 -15.094 -8.660 6.863 1.00 0.00 O ATOM 1345 CB ALA A 88 -13.448 -7.228 9.256 1.00 0.00 C ATOM 0 H ALA A 88 -15.418 -6.150 7.643 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.539 -6.758 7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.767 -8.050 9.478 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.083 -6.316 9.729 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.440 -7.465 9.642 1.00 0.00 H new ATOM 1351 N PHE A 89 -12.882 -9.041 6.562 1.00 0.00 N ATOM 1352 CA PHE A 89 -13.009 -10.172 5.651 1.00 0.00 C ATOM 1353 C PHE A 89 -12.082 -11.323 6.046 1.00 0.00 C ATOM 1354 O PHE A 89 -10.877 -11.143 6.226 1.00 0.00 O ATOM 1355 CB PHE A 89 -12.703 -9.714 4.210 1.00 0.00 C ATOM 1356 CG PHE A 89 -13.474 -8.495 3.734 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -13.022 -7.202 4.065 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -14.654 -8.647 2.981 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -13.774 -6.075 3.699 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -15.400 -7.516 2.604 1.00 0.00 C ATOM 1361 CZ PHE A 89 -14.967 -6.232 2.974 1.00 0.00 C ATOM 0 H PHE A 89 -11.917 -8.850 6.833 1.00 0.00 H new ATOM 0 HA PHE A 89 -14.033 -10.540 5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.637 -9.501 4.134 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.912 -10.542 3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.093 -7.078 4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -14.987 -9.633 2.693 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.436 -5.087 3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -16.307 -7.635 2.029 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.551 -5.366 2.701 1.00 0.00 H new ATOM 1371 N LYS A 90 -12.638 -12.531 6.138 1.00 0.00 N ATOM 1372 CA LYS A 90 -11.857 -13.758 6.278 1.00 0.00 C ATOM 1373 C LYS A 90 -11.150 -14.108 4.957 1.00 0.00 C ATOM 1374 O LYS A 90 -11.757 -14.045 3.882 1.00 0.00 O ATOM 1375 CB LYS A 90 -12.753 -14.895 6.802 1.00 0.00 C ATOM 1376 CG LYS A 90 -12.775 -14.884 8.336 1.00 0.00 C ATOM 1377 CD LYS A 90 -13.567 -16.076 8.891 1.00 0.00 C ATOM 1378 CE LYS A 90 -13.540 -16.035 10.426 1.00 0.00 C ATOM 1379 NZ LYS A 90 -14.404 -17.085 11.025 1.00 0.00 N ATOM 0 H LYS A 90 -13.646 -12.686 6.117 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.068 -13.606 7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.765 -14.779 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.383 -15.855 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.754 -14.914 8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.219 -13.953 8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.596 -16.042 8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.136 -17.011 8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.516 -16.166 10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.870 -15.054 10.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.985 -17.411 11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.350 -16.693 11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.483 -17.887 10.367 1.00 0.00 H new ATOM 1393 N CYS A 91 -9.859 -14.442 5.045 1.00 0.00 N ATOM 1394 CA CYS A 91 -8.940 -14.648 3.922 1.00 0.00 C ATOM 1395 C CYS A 91 -7.628 -15.294 4.394 1.00 0.00 C ATOM 1396 O CYS A 91 -6.921 -14.730 5.229 1.00 0.00 O ATOM 1397 CB CYS A 91 -8.669 -13.285 3.260 1.00 0.00 C ATOM 1398 SG CYS A 91 -7.619 -13.518 1.795 1.00 0.00 S ATOM 0 H CYS A 91 -9.404 -14.583 5.947 1.00 0.00 H new ATOM 0 HA CYS A 91 -9.392 -15.328 3.200 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -9.610 -12.814 2.975 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.180 -12.616 3.968 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.030 -12.739 0.838 1.00 0.00 H new ATOM 1404 N SER A 92 -7.251 -16.431 3.810 1.00 0.00 N ATOM 1405 CA SER A 92 -5.993 -17.132 4.144 1.00 0.00 C ATOM 1406 C SER A 92 -4.728 -16.399 3.647 1.00 0.00 C ATOM 1407 O SER A 92 -3.613 -16.766 4.024 1.00 0.00 O ATOM 1408 CB SER A 92 -6.021 -18.566 3.590 1.00 0.00 C ATOM 1409 OG SER A 92 -7.015 -19.361 4.226 1.00 0.00 O ATOM 0 H SER A 92 -7.803 -16.899 3.091 1.00 0.00 H new ATOM 0 HA SER A 92 -5.933 -17.151 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.211 -18.537 2.517 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.043 -19.028 3.728 1.00 0.00 H new ATOM 0 HG SER A 92 -7.004 -20.264 3.846 1.00 0.00 H new ATOM 1415 N ARG A 93 -4.895 -15.351 2.823 1.00 0.00 N ATOM 1416 CA ARG A 93 -3.828 -14.551 2.198 1.00 0.00 C ATOM 1417 C ARG A 93 -3.862 -13.078 2.643 1.00 0.00 C ATOM 1418 O ARG A 93 -3.321 -12.206 1.961 1.00 0.00 O ATOM 1419 CB ARG A 93 -3.909 -14.711 0.670 1.00 0.00 C ATOM 1420 CG ARG A 93 -3.646 -16.163 0.240 1.00 0.00 C ATOM 1421 CD ARG A 93 -3.735 -16.301 -1.279 1.00 0.00 C ATOM 1422 NE ARG A 93 -3.478 -17.691 -1.694 1.00 0.00 N ATOM 1423 CZ ARG A 93 -4.353 -18.691 -1.692 1.00 0.00 C ATOM 1424 NH1 ARG A 93 -5.585 -18.569 -1.254 1.00 0.00 N ATOM 1425 NH2 ARG A 93 -4.018 -19.867 -2.160 1.00 0.00 N ATOM 0 H ARG A 93 -5.825 -15.022 2.562 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.862 -14.926 2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.894 -14.401 0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.182 -14.053 0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.659 -16.475 0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.371 -16.825 0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.723 -15.992 -1.619 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.012 -15.636 -1.752 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.534 -17.907 -2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.911 -17.673 -0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -6.216 -19.370 -1.276 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.080 -20.020 -2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.695 -20.630 -2.155 1.00 0.00 H new ATOM 1439 N ALA A 94 -4.466 -12.786 3.800 1.00 0.00 N ATOM 1440 CA ALA A 94 -4.564 -11.446 4.390 1.00 0.00 C ATOM 1441 C ALA A 94 -3.225 -10.685 4.462 1.00 0.00 C ATOM 1442 O ALA A 94 -3.189 -9.487 4.189 1.00 0.00 O ATOM 1443 CB ALA A 94 -5.186 -11.599 5.783 1.00 0.00 C ATOM 0 H ALA A 94 -4.916 -13.501 4.372 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.188 -10.834 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.274 -10.619 6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.175 -12.048 5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.552 -12.239 6.396 1.00 0.00 H new ATOM 1449 N GLU A 95 -2.122 -11.378 4.762 1.00 0.00 N ATOM 1450 CA GLU A 95 -0.775 -10.796 4.787 1.00 0.00 C ATOM 1451 C GLU A 95 -0.247 -10.448 3.386 1.00 0.00 C ATOM 1452 O GLU A 95 0.409 -9.424 3.214 1.00 0.00 O ATOM 1453 CB GLU A 95 0.171 -11.771 5.495 1.00 0.00 C ATOM 1454 CG GLU A 95 1.564 -11.159 5.692 1.00 0.00 C ATOM 1455 CD GLU A 95 2.508 -12.000 6.572 1.00 0.00 C ATOM 1456 OE1 GLU A 95 2.086 -13.015 7.176 1.00 0.00 O ATOM 1457 OE2 GLU A 95 3.712 -11.656 6.640 1.00 0.00 O ATOM 0 H GLU A 95 -2.139 -12.370 4.997 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.825 -9.853 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.247 -12.047 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.254 -12.688 4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.027 -11.017 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.454 -10.171 6.139 1.00 0.00 H new ATOM 1464 N GLU A 96 -0.553 -11.262 2.371 1.00 0.00 N ATOM 1465 CA GLU A 96 -0.209 -10.951 0.976 1.00 0.00 C ATOM 1466 C GLU A 96 -0.966 -9.709 0.493 1.00 0.00 C ATOM 1467 O GLU A 96 -0.371 -8.852 -0.157 1.00 0.00 O ATOM 1468 CB GLU A 96 -0.483 -12.123 0.019 1.00 0.00 C ATOM 1469 CG GLU A 96 0.244 -13.412 0.418 1.00 0.00 C ATOM 1470 CD GLU A 96 0.425 -14.350 -0.784 1.00 0.00 C ATOM 1471 OE1 GLU A 96 -0.491 -15.151 -1.073 1.00 0.00 O ATOM 1472 OE2 GLU A 96 1.495 -14.297 -1.438 1.00 0.00 O ATOM 0 H GLU A 96 -1.042 -12.149 2.489 1.00 0.00 H new ATOM 0 HA GLU A 96 0.864 -10.758 0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.556 -12.314 -0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.179 -11.839 -0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.219 -13.166 0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.320 -13.923 1.198 1.00 0.00 H new ATOM 1479 N ILE A 97 -2.245 -9.564 0.863 1.00 0.00 N ATOM 1480 CA ILE A 97 -3.027 -8.346 0.584 1.00 0.00 C ATOM 1481 C ILE A 97 -2.385 -7.133 1.269 1.00 0.00 C ATOM 1482 O ILE A 97 -2.167 -6.109 0.621 1.00 0.00 O ATOM 1483 CB ILE A 97 -4.510 -8.512 1.005 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -5.195 -9.656 0.225 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -5.259 -7.186 0.764 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -6.557 -10.068 0.798 1.00 0.00 C ATOM 0 H ILE A 97 -2.768 -10.283 1.363 1.00 0.00 H new ATOM 0 HA ILE A 97 -3.018 -8.177 -0.493 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.541 -8.769 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.326 -9.348 -0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.536 -10.524 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.302 -7.299 1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.798 -6.395 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.207 -6.926 -0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.975 -10.876 0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.431 -10.408 1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.233 -9.214 0.778 1.00 0.00 H new ATOM 1498 N PHE A 98 -2.038 -7.254 2.554 1.00 0.00 N ATOM 1499 CA PHE A 98 -1.398 -6.202 3.343 1.00 0.00 C ATOM 1500 C PHE A 98 -0.047 -5.761 2.737 1.00 0.00 C ATOM 1501 O PHE A 98 0.202 -4.562 2.595 1.00 0.00 O ATOM 1502 CB PHE A 98 -1.289 -6.705 4.787 1.00 0.00 C ATOM 1503 CG PHE A 98 -0.117 -6.197 5.594 1.00 0.00 C ATOM 1504 CD1 PHE A 98 -0.198 -4.971 6.280 1.00 0.00 C ATOM 1505 CD2 PHE A 98 1.046 -6.983 5.692 1.00 0.00 C ATOM 1506 CE1 PHE A 98 0.876 -4.550 7.083 1.00 0.00 C ATOM 1507 CE2 PHE A 98 2.119 -6.559 6.488 1.00 0.00 C ATOM 1508 CZ PHE A 98 2.031 -5.349 7.191 1.00 0.00 C ATOM 0 H PHE A 98 -2.199 -8.109 3.086 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.003 -5.295 3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.206 -6.436 5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.242 -7.794 4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.081 -4.356 6.190 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.112 -7.916 5.152 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.816 -3.613 7.617 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.011 -7.163 6.560 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.851 -5.029 7.817 1.00 0.00 H new ATOM 1518 N ASN A 99 0.794 -6.715 2.319 1.00 0.00 N ATOM 1519 CA ASN A 99 2.087 -6.443 1.685 1.00 0.00 C ATOM 1520 C ASN A 99 1.953 -5.849 0.271 1.00 0.00 C ATOM 1521 O ASN A 99 2.773 -5.011 -0.112 1.00 0.00 O ATOM 1522 CB ASN A 99 2.931 -7.729 1.635 1.00 0.00 C ATOM 1523 CG ASN A 99 3.569 -8.097 2.974 1.00 0.00 C ATOM 1524 OD1 ASN A 99 4.054 -7.250 3.717 1.00 0.00 O ATOM 1525 ND2 ASN A 99 3.634 -9.374 3.298 1.00 0.00 N ATOM 0 H ASN A 99 0.592 -7.710 2.414 1.00 0.00 H new ATOM 0 HA ASN A 99 2.585 -5.692 2.298 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.301 -8.554 1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.717 -7.609 0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.088 -9.657 4.167 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.231 -10.078 2.680 1.00 0.00 H new ATOM 1532 N LEU A 100 0.926 -6.234 -0.500 1.00 0.00 N ATOM 1533 CA LEU A 100 0.682 -5.685 -1.836 1.00 0.00 C ATOM 1534 C LEU A 100 0.103 -4.263 -1.734 1.00 0.00 C ATOM 1535 O LEU A 100 0.574 -3.371 -2.434 1.00 0.00 O ATOM 1536 CB LEU A 100 -0.204 -6.667 -2.632 1.00 0.00 C ATOM 1537 CG LEU A 100 0.002 -6.651 -4.163 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.916 -7.691 -4.820 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.226 -5.289 -4.828 1.00 0.00 C ATOM 0 H LEU A 100 0.243 -6.935 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 100 1.616 -5.582 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.016 -7.677 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.249 -6.441 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 100 1.054 -6.891 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.768 -7.677 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.678 -8.682 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.955 -7.454 -4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.059 -5.376 -5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.250 -4.962 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.468 -4.559 -4.410 1.00 0.00 H new ATOM 1551 N LEU A 101 -0.829 -4.008 -0.807 1.00 0.00 N ATOM 1552 CA LEU A 101 -1.422 -2.682 -0.590 1.00 0.00 C ATOM 1553 C LEU A 101 -0.376 -1.589 -0.400 1.00 0.00 C ATOM 1554 O LEU A 101 -0.366 -0.609 -1.143 1.00 0.00 O ATOM 1555 CB LEU A 101 -2.365 -2.717 0.628 1.00 0.00 C ATOM 1556 CG LEU A 101 -3.789 -3.166 0.282 1.00 0.00 C ATOM 1557 CD1 LEU A 101 -4.602 -3.349 1.566 1.00 0.00 C ATOM 1558 CD2 LEU A 101 -4.486 -2.142 -0.623 1.00 0.00 C ATOM 0 H LEU A 101 -1.196 -4.724 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.983 -2.437 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.952 -3.391 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.404 -1.724 1.077 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.725 -4.114 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.613 -3.668 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.128 -4.105 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.644 -2.404 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.494 -2.486 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.538 -1.181 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.921 -2.031 -1.549 1.00 0.00 H new ATOM 1570 N GLN A 102 0.526 -1.774 0.562 1.00 0.00 N ATOM 1571 CA GLN A 102 1.570 -0.791 0.858 1.00 0.00 C ATOM 1572 C GLN A 102 2.540 -0.559 -0.315 1.00 0.00 C ATOM 1573 O GLN A 102 3.079 0.540 -0.428 1.00 0.00 O ATOM 1574 CB GLN A 102 2.309 -1.156 2.155 1.00 0.00 C ATOM 1575 CG GLN A 102 3.093 -2.475 2.098 1.00 0.00 C ATOM 1576 CD GLN A 102 3.772 -2.812 3.425 1.00 0.00 C ATOM 1577 OE1 GLN A 102 3.171 -2.780 4.492 1.00 0.00 O ATOM 1578 NE2 GLN A 102 5.050 -3.135 3.424 1.00 0.00 N ATOM 0 H GLN A 102 0.555 -2.603 1.155 1.00 0.00 H new ATOM 0 HA GLN A 102 1.068 0.165 1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.999 -0.350 2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.583 -1.215 2.966 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.416 -3.284 1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.847 -2.412 1.314 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.567 -3.167 2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.522 -3.353 4.302 1.00 0.00 H new ATOM 1587 N ASP A 103 2.720 -1.528 -1.225 1.00 0.00 N ATOM 1588 CA ASP A 103 3.572 -1.377 -2.415 1.00 0.00 C ATOM 1589 C ASP A 103 3.004 -0.370 -3.426 1.00 0.00 C ATOM 1590 O ASP A 103 3.758 0.287 -4.147 1.00 0.00 O ATOM 1591 CB ASP A 103 3.752 -2.732 -3.120 1.00 0.00 C ATOM 1592 CG ASP A 103 4.937 -2.708 -4.101 1.00 0.00 C ATOM 1593 OD1 ASP A 103 6.097 -2.596 -3.636 1.00 0.00 O ATOM 1594 OD2 ASP A 103 4.710 -2.821 -5.328 1.00 0.00 O ATOM 0 H ASP A 103 2.276 -2.444 -1.156 1.00 0.00 H new ATOM 0 HA ASP A 103 4.531 -0.999 -2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.911 -3.512 -2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.839 -2.987 -3.658 1.00 0.00 H new ATOM 1599 N LEU A 104 1.672 -0.248 -3.452 1.00 0.00 N ATOM 1600 CA LEU A 104 0.920 0.627 -4.350 1.00 0.00 C ATOM 1601 C LEU A 104 0.585 1.958 -3.667 1.00 0.00 C ATOM 1602 O LEU A 104 0.709 3.019 -4.277 1.00 0.00 O ATOM 1603 CB LEU A 104 -0.350 -0.114 -4.821 1.00 0.00 C ATOM 1604 CG LEU A 104 -0.100 -1.517 -5.422 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -1.427 -2.087 -5.939 1.00 0.00 C ATOM 1606 CD2 LEU A 104 0.933 -1.515 -6.558 1.00 0.00 C ATOM 0 H LEU A 104 1.068 -0.777 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 104 1.528 0.870 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.030 -0.213 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.856 0.500 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 104 0.310 -2.138 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.257 -3.076 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.136 -2.163 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.832 -1.427 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.061 -2.530 -6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.585 -0.870 -7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.887 -1.144 -6.182 1.00 0.00 H new ATOM 1618 N MET A 105 0.234 1.917 -2.378 1.00 0.00 N ATOM 1619 CA MET A 105 -0.133 3.093 -1.584 1.00 0.00 C ATOM 1620 C MET A 105 1.056 4.010 -1.273 1.00 0.00 C ATOM 1621 O MET A 105 0.873 5.225 -1.202 1.00 0.00 O ATOM 1622 CB MET A 105 -0.836 2.649 -0.295 1.00 0.00 C ATOM 1623 CG MET A 105 -2.212 2.046 -0.608 1.00 0.00 C ATOM 1624 SD MET A 105 -3.163 1.461 0.816 1.00 0.00 S ATOM 1625 CE MET A 105 -3.540 3.047 1.603 1.00 0.00 C ATOM 0 H MET A 105 0.196 1.047 -1.847 1.00 0.00 H new ATOM 0 HA MET A 105 -0.817 3.688 -2.189 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.222 1.915 0.226 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.951 3.501 0.375 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.805 2.796 -1.133 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.073 1.211 -1.295 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.242 2.889 2.421 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.622 3.487 1.992 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.983 3.721 0.870 1.00 0.00 H new ATOM 2271 N PHE B 2 -20.472 -5.596 6.050 1.00 0.00 N ATOM 2272 CA PHE B 2 -20.835 -5.468 7.471 1.00 0.00 C ATOM 2273 C PHE B 2 -20.065 -4.316 8.129 1.00 0.00 C ATOM 2274 O PHE B 2 -18.834 -4.324 8.162 1.00 0.00 O ATOM 2275 CB PHE B 2 -20.596 -6.792 8.214 1.00 0.00 C ATOM 2276 CG PHE B 2 -21.154 -6.795 9.627 1.00 0.00 C ATOM 2277 CD1 PHE B 2 -20.424 -6.226 10.689 1.00 0.00 C ATOM 2278 CD2 PHE B 2 -22.421 -7.357 9.879 1.00 0.00 C ATOM 2279 CE1 PHE B 2 -20.957 -6.222 11.991 1.00 0.00 C ATOM 2280 CE2 PHE B 2 -22.947 -7.365 11.181 1.00 0.00 C ATOM 2281 CZ PHE B 2 -22.218 -6.791 12.238 1.00 0.00 C ATOM 0 HA PHE B 2 -21.898 -5.236 7.533 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -21.051 -7.605 7.649 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -19.525 -6.991 8.253 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -19.453 -5.792 10.503 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -22.991 -7.784 9.067 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -20.396 -5.781 12.802 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -23.912 -7.812 11.371 1.00 0.00 H new ATOM 0 HZ PHE B 2 -22.627 -6.788 13.238 1.00 0.00 H new ATOM 2291 N ARG B 3 -20.805 -3.347 8.674 1.00 0.00 N ATOM 2292 CA ARG B 3 -20.271 -2.158 9.346 1.00 0.00 C ATOM 2293 C ARG B 3 -19.817 -2.491 10.778 1.00 0.00 C ATOM 2294 O ARG B 3 -20.639 -2.749 11.659 1.00 0.00 O ATOM 2295 CB ARG B 3 -21.302 -1.009 9.269 1.00 0.00 C ATOM 2296 CG ARG B 3 -22.683 -1.298 9.902 1.00 0.00 C ATOM 2297 CD ARG B 3 -23.760 -0.285 9.485 1.00 0.00 C ATOM 2298 NE ARG B 3 -23.462 1.086 9.939 1.00 0.00 N ATOM 2299 CZ ARG B 3 -23.716 1.604 11.137 1.00 0.00 C ATOM 2300 NH1 ARG B 3 -24.238 0.892 12.116 1.00 0.00 N ATOM 2301 NH2 ARG B 3 -23.444 2.869 11.367 1.00 0.00 N ATOM 0 H ARG B 3 -21.825 -3.368 8.660 1.00 0.00 H new ATOM 0 HA ARG B 3 -19.374 -1.812 8.831 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -20.877 -0.132 9.757 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -21.451 -0.750 8.221 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -23.005 -2.300 9.617 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -22.587 -1.291 10.988 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -23.856 -0.290 8.399 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -24.722 -0.596 9.892 1.00 0.00 H new ATOM 0 HE ARG B 3 -23.013 1.703 9.262 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -24.461 -0.092 11.968 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -24.418 1.325 13.022 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -23.041 3.446 10.629 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -23.636 3.273 12.283 1.00 0.00 H new ATOM 2315 N LEU B 4 -18.503 -2.496 11.019 1.00 0.00 N ATOM 2316 CA LEU B 4 -17.923 -2.701 12.354 1.00 0.00 C ATOM 2317 C LEU B 4 -17.880 -1.402 13.168 1.00 0.00 C ATOM 2318 O LEU B 4 -17.786 -0.300 12.620 1.00 0.00 O ATOM 2319 CB LEU B 4 -16.513 -3.304 12.234 1.00 0.00 C ATOM 2320 CG LEU B 4 -16.481 -4.793 11.861 1.00 0.00 C ATOM 2321 CD1 LEU B 4 -15.030 -5.179 11.567 1.00 0.00 C ATOM 2322 CD2 LEU B 4 -17.007 -5.705 12.974 1.00 0.00 C ATOM 0 H LEU B 4 -17.804 -2.357 10.289 1.00 0.00 H new ATOM 0 HA LEU B 4 -18.568 -3.398 12.888 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -15.956 -2.743 11.483 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -15.993 -3.170 13.183 1.00 0.00 H new ATOM 0 HG LEU B 4 -17.131 -4.929 10.996 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -14.981 -6.234 11.299 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -14.654 -4.577 10.740 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.420 -5.001 12.452 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -16.958 -6.744 12.647 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -16.397 -5.577 13.868 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -18.041 -5.444 13.200 1.00 0.00 H new ATOM 2334 N ARG B 5 -17.909 -1.569 14.494 1.00 0.00 N ATOM 2335 CA ARG B 5 -17.852 -0.477 15.483 1.00 0.00 C ATOM 2336 C ARG B 5 -16.411 0.007 15.747 1.00 0.00 C ATOM 2337 O ARG B 5 -16.190 1.170 16.084 1.00 0.00 O ATOM 2338 CB ARG B 5 -18.510 -0.967 16.788 1.00 0.00 C ATOM 2339 CG ARG B 5 -18.829 0.176 17.767 1.00 0.00 C ATOM 2340 CD ARG B 5 -19.310 -0.333 19.132 1.00 0.00 C ATOM 2341 NE ARG B 5 -18.200 -0.921 19.907 1.00 0.00 N ATOM 2342 CZ ARG B 5 -18.185 -1.180 21.209 1.00 0.00 C ATOM 2343 NH1 ARG B 5 -19.235 -0.983 21.978 1.00 0.00 N ATOM 2344 NH2 ARG B 5 -17.084 -1.647 21.755 1.00 0.00 N ATOM 0 H ARG B 5 -17.975 -2.491 14.925 1.00 0.00 H new ATOM 0 HA ARG B 5 -18.392 0.381 15.083 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -19.430 -1.499 16.547 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -17.848 -1.682 17.276 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -17.939 0.790 17.905 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -19.595 0.818 17.332 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -19.753 0.490 19.694 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -20.092 -1.079 18.989 1.00 0.00 H new ATOM 0 HE ARG B 5 -17.354 -1.153 19.387 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -20.100 -0.619 21.577 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -19.184 -1.194 22.975 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -16.257 -1.805 21.180 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -17.057 -1.851 22.754 1.00 0.00 H new ATOM 2358 N HIS B 6 -15.429 -0.881 15.579 1.00 0.00 N ATOM 2359 CA HIS B 6 -14.020 -0.703 15.949 1.00 0.00 C ATOM 2360 C HIS B 6 -13.101 -1.635 15.129 1.00 0.00 C ATOM 2361 O HIS B 6 -13.569 -2.596 14.512 1.00 0.00 O ATOM 2362 CB HIS B 6 -13.877 -0.918 17.471 1.00 0.00 C ATOM 2363 CG HIS B 6 -14.522 -2.176 17.998 1.00 0.00 C ATOM 2364 ND1 HIS B 6 -15.570 -2.215 18.923 1.00 0.00 N ATOM 2365 CD2 HIS B 6 -14.220 -3.454 17.623 1.00 0.00 C ATOM 2366 CE1 HIS B 6 -15.870 -3.516 19.078 1.00 0.00 C ATOM 2367 NE2 HIS B 6 -15.075 -4.283 18.311 1.00 0.00 N ATOM 0 H HIS B 6 -15.603 -1.794 15.158 1.00 0.00 H new ATOM 0 HA HIS B 6 -13.700 0.311 15.711 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -12.817 -0.938 17.722 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -14.311 -0.061 17.987 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -13.457 -3.756 16.921 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -16.644 -3.894 19.730 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -15.101 -5.301 18.250 1.00 0.00 H new ATOM 2375 N PHE B 7 -11.794 -1.350 15.094 1.00 0.00 N ATOM 2376 CA PHE B 7 -10.847 -2.078 14.243 1.00 0.00 C ATOM 2377 C PHE B 7 -10.464 -3.445 14.859 1.00 0.00 C ATOM 2378 O PHE B 7 -10.149 -3.490 16.052 1.00 0.00 O ATOM 2379 CB PHE B 7 -9.625 -1.187 13.953 1.00 0.00 C ATOM 2380 CG PHE B 7 -8.901 -1.567 12.681 1.00 0.00 C ATOM 2381 CD1 PHE B 7 -9.592 -1.526 11.456 1.00 0.00 C ATOM 2382 CD2 PHE B 7 -7.556 -1.977 12.707 1.00 0.00 C ATOM 2383 CE1 PHE B 7 -8.961 -1.937 10.276 1.00 0.00 C ATOM 2384 CE2 PHE B 7 -6.915 -2.358 11.515 1.00 0.00 C ATOM 2385 CZ PHE B 7 -7.620 -2.351 10.300 1.00 0.00 C ATOM 0 H PHE B 7 -11.365 -0.612 15.652 1.00 0.00 H new ATOM 0 HA PHE B 7 -11.324 -2.309 13.290 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -9.949 -0.149 13.883 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -8.931 -1.249 14.791 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -10.613 -1.176 11.426 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -7.016 -1.999 13.642 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -9.508 -1.936 9.344 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -5.877 -2.657 11.534 1.00 0.00 H new ATOM 0 HZ PHE B 7 -7.132 -2.663 9.388 1.00 0.00 H new ATOM 2395 N PRO B 8 -10.492 -4.557 14.089 1.00 0.00 N ATOM 2396 CA PRO B 8 -10.329 -5.910 14.624 1.00 0.00 C ATOM 2397 C PRO B 8 -8.865 -6.345 14.815 1.00 0.00 C ATOM 2398 O PRO B 8 -8.641 -7.432 15.348 1.00 0.00 O ATOM 2399 CB PRO B 8 -11.053 -6.814 13.622 1.00 0.00 C ATOM 2400 CG PRO B 8 -10.796 -6.110 12.296 1.00 0.00 C ATOM 2401 CD PRO B 8 -10.882 -4.635 12.686 1.00 0.00 C ATOM 0 HA PRO B 8 -10.742 -5.968 15.631 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -10.653 -7.828 13.627 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -12.118 -6.891 13.841 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -9.820 -6.365 11.883 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -11.539 -6.376 11.544 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.221 -4.030 12.065 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -11.893 -4.253 12.542 1.00 0.00 H new ATOM 2409 N CYS B 9 -7.873 -5.536 14.405 1.00 0.00 N ATOM 2410 CA CYS B 9 -6.452 -5.894 14.465 1.00 0.00 C ATOM 2411 C CYS B 9 -5.601 -4.896 15.280 1.00 0.00 C ATOM 2412 O CYS B 9 -5.834 -3.686 15.243 1.00 0.00 O ATOM 2413 CB CYS B 9 -5.938 -6.042 13.025 1.00 0.00 C ATOM 2414 SG CYS B 9 -4.327 -6.861 13.122 1.00 0.00 S ATOM 0 H CYS B 9 -8.041 -4.607 14.019 1.00 0.00 H new ATOM 0 HA CYS B 9 -6.353 -6.838 15.001 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -6.634 -6.629 12.425 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.847 -5.067 12.545 1.00 0.00 H new ATOM 0 HG CYS B 9 -3.966 -7.250 11.935 1.00 0.00 H new ATOM 2420 N GLY B 10 -4.580 -5.412 15.977 1.00 0.00 N ATOM 2421 CA GLY B 10 -3.532 -4.638 16.662 1.00 0.00 C ATOM 2422 C GLY B 10 -2.297 -4.331 15.798 1.00 0.00 C ATOM 2423 O GLY B 10 -1.415 -3.602 16.251 1.00 0.00 O ATOM 0 H GLY B 10 -4.455 -6.419 16.084 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -3.960 -3.697 17.008 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -3.213 -5.187 17.548 1.00 0.00 H new ATOM 2427 N ASN B 11 -2.229 -4.852 14.566 1.00 0.00 N ATOM 2428 CA ASN B 11 -1.158 -4.608 13.586 1.00 0.00 C ATOM 2429 C ASN B 11 -1.747 -3.958 12.319 1.00 0.00 C ATOM 2430 O ASN B 11 -2.660 -4.497 11.687 1.00 0.00 O ATOM 2431 CB ASN B 11 -0.423 -5.919 13.253 1.00 0.00 C ATOM 2432 CG ASN B 11 0.265 -6.521 14.477 1.00 0.00 C ATOM 2433 OD1 ASN B 11 -0.269 -7.397 15.151 1.00 0.00 O ATOM 2434 ND2 ASN B 11 1.461 -6.071 14.811 1.00 0.00 N ATOM 0 H ASN B 11 -2.948 -5.481 14.208 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.429 -3.921 14.016 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -1.133 -6.639 12.847 1.00 0.00 H new ATOM 0 HB3 ASN B 11 0.319 -5.731 12.477 1.00 0.00 H new ATOM 0 HD21 ASN B 11 1.939 -6.451 15.628 1.00 0.00 H new ATOM 0 HD22 ASN B 11 1.906 -5.343 14.252 1.00 0.00 H new ATOM 2441 N VAL B 12 -1.228 -2.786 11.950 1.00 0.00 N ATOM 2442 CA VAL B 12 -1.815 -1.902 10.938 1.00 0.00 C ATOM 2443 C VAL B 12 -0.753 -0.968 10.346 1.00 0.00 C ATOM 2444 O VAL B 12 0.223 -0.632 11.015 1.00 0.00 O ATOM 2445 CB VAL B 12 -2.980 -1.121 11.594 1.00 0.00 C ATOM 2446 CG1 VAL B 12 -2.530 -0.104 12.657 1.00 0.00 C ATOM 2447 CG2 VAL B 12 -3.847 -0.417 10.561 1.00 0.00 C ATOM 0 H VAL B 12 -0.368 -2.415 12.355 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.205 -2.487 10.105 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.567 -1.886 12.103 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.403 0.402 13.069 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.000 -0.623 13.456 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.867 0.631 12.200 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.652 0.118 11.065 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.239 0.290 9.997 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.273 -1.154 9.880 1.00 0.00 H new ATOM 2457 N ASN B 13 -0.955 -0.542 9.098 1.00 0.00 N ATOM 2458 CA ASN B 13 -0.108 0.418 8.388 1.00 0.00 C ATOM 2459 C ASN B 13 -0.946 1.635 7.926 1.00 0.00 C ATOM 2460 O ASN B 13 -2.138 1.515 7.628 1.00 0.00 O ATOM 2461 CB ASN B 13 0.598 -0.334 7.242 1.00 0.00 C ATOM 2462 CG ASN B 13 1.738 0.426 6.565 1.00 0.00 C ATOM 2463 OD1 ASN B 13 2.050 1.568 6.876 1.00 0.00 O ATOM 2464 ND2 ASN B 13 2.422 -0.205 5.627 1.00 0.00 N ATOM 0 H ASN B 13 -1.740 -0.867 8.534 1.00 0.00 H new ATOM 0 HA ASN B 13 0.663 0.834 9.036 1.00 0.00 H new ATOM 0 HB2 ASN B 13 0.991 -1.272 7.634 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -0.145 -0.590 6.486 1.00 0.00 H new ATOM 0 HD21 ASN B 13 3.205 0.260 5.167 1.00 0.00 H new ATOM 0 HD22 ASN B 13 2.167 -1.157 5.363 1.00 0.00 H new ATOM 2471 N TYR B 14 -0.323 2.816 7.903 1.00 0.00 N ATOM 2472 CA TYR B 14 -0.923 4.104 7.539 1.00 0.00 C ATOM 2473 C TYR B 14 -0.208 4.691 6.305 1.00 0.00 C ATOM 2474 O TYR B 14 0.972 5.046 6.367 1.00 0.00 O ATOM 2475 CB TYR B 14 -0.847 5.061 8.742 1.00 0.00 C ATOM 2476 CG TYR B 14 -1.451 4.544 10.037 1.00 0.00 C ATOM 2477 CD1 TYR B 14 -2.849 4.473 10.184 1.00 0.00 C ATOM 2478 CD2 TYR B 14 -0.618 4.170 11.110 1.00 0.00 C ATOM 2479 CE1 TYR B 14 -3.414 4.046 11.401 1.00 0.00 C ATOM 2480 CE2 TYR B 14 -1.177 3.736 12.329 1.00 0.00 C ATOM 2481 CZ TYR B 14 -2.581 3.679 12.479 1.00 0.00 C ATOM 2482 OH TYR B 14 -3.138 3.284 13.659 1.00 0.00 O ATOM 0 H TYR B 14 0.663 2.905 8.150 1.00 0.00 H new ATOM 0 HA TYR B 14 -1.972 3.963 7.278 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.200 5.304 8.923 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.349 5.991 8.475 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.491 4.747 9.360 1.00 0.00 H new ATOM 0 HD2 TYR B 14 0.455 4.216 10.998 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -4.488 3.999 11.510 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -0.533 3.448 13.147 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.428 3.064 14.298 1.00 0.00 H new