USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 638 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 : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.8!) USER MOD Single : A 19 MET CE :methyl -150:sc= -0.207 (180deg=-1.7) USER MOD Single : A 22 LYS NZ :NH3+ 152:sc= 0.745 (180deg=0.298) USER MOD Single : A 24 ASN : amide:sc= -1.26! K(o=-1.3!,f=-0.018) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -3.25! C(o=-3.2!,f=-5.4!) USER MOD Single : A 29 ASN : amide:sc= -0.809 K(o=-0.81,f=-1.3) USER MOD Single : A 30 SER OG : rot 170:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 34 THR OG1 : rot -64:sc= 0.754 USER MOD Single : A 36 ASN : amide:sc= -1.33! K(o=-1.3!,f=-0.019) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.537 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 101:sc= 0.136 USER MOD Single : A 51 THR OG1 : rot 140:sc= -1.95! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -125:sc= -1.35 (180deg=-3.86!) USER MOD Single : A 63 ASN : amide:sc= -0.0251 K(o=-0.025,f=-1.8!) USER MOD Single : A 65 GLN : amide:sc=-0.00289 K(o=-0.0029,f=-0.86) USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0645) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 93:sc= 0.0793 USER MOD Single : A 80 LYS NZ :NH3+ -172:sc= 0.808 (180deg=0.728) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 167:sc= -0.0011 (180deg=-0.155) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N CYS A 2 6.666 -2.007 3.153 1.00 0.00 N ATOM 13 CA CYS A 2 6.288 -3.397 2.873 1.00 0.00 C ATOM 14 C CYS A 2 6.542 -4.288 4.087 1.00 0.00 C ATOM 15 O CYS A 2 7.519 -4.102 4.815 1.00 0.00 O ATOM 16 CB CYS A 2 7.099 -3.920 1.681 1.00 0.00 C ATOM 17 SG CYS A 2 6.486 -5.553 1.200 1.00 0.00 S ATOM 0 HA CYS A 2 5.223 -3.422 2.640 1.00 0.00 H new ATOM 0 HB2 CYS A 2 7.019 -3.229 0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 2 8.155 -3.980 1.945 1.00 0.00 H new ATOM 22 N TYR A 3 5.655 -5.262 4.297 1.00 0.00 N ATOM 23 CA TYR A 3 5.787 -6.192 5.423 1.00 0.00 C ATOM 24 C TYR A 3 5.315 -7.590 5.022 1.00 0.00 C ATOM 25 O TYR A 3 4.477 -7.740 4.132 1.00 0.00 O ATOM 26 CB TYR A 3 4.961 -5.696 6.611 1.00 0.00 C ATOM 27 CG TYR A 3 3.508 -5.596 6.212 1.00 0.00 C ATOM 28 CD1 TYR A 3 2.711 -6.749 6.181 1.00 0.00 C ATOM 29 CD2 TYR A 3 2.955 -4.355 5.873 1.00 0.00 C ATOM 30 CE1 TYR A 3 1.365 -6.659 5.810 1.00 0.00 C ATOM 31 CE2 TYR A 3 1.609 -4.265 5.503 1.00 0.00 C ATOM 32 CZ TYR A 3 0.813 -5.418 5.473 1.00 0.00 C ATOM 33 OH TYR A 3 -0.515 -5.328 5.109 1.00 0.00 O ATOM 0 H TYR A 3 4.841 -5.428 3.706 1.00 0.00 H new ATOM 0 HA TYR A 3 6.838 -6.241 5.707 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.071 -6.379 7.454 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.326 -4.723 6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.136 -7.707 6.443 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.568 -3.466 5.897 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.752 -7.548 5.784 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.184 -3.308 5.241 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.737 -4.395 4.908 1.00 0.00 H new ATOM 43 N PHE A 4 5.879 -8.613 5.670 1.00 0.00 N ATOM 44 CA PHE A 4 5.540 -10.006 5.359 1.00 0.00 C ATOM 45 C PHE A 4 4.454 -10.548 6.284 1.00 0.00 C ATOM 46 O PHE A 4 4.387 -10.205 7.464 1.00 0.00 O ATOM 47 CB PHE A 4 6.791 -10.874 5.524 1.00 0.00 C ATOM 48 CG PHE A 4 7.762 -10.589 4.406 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.457 -9.373 4.381 1.00 0.00 C ATOM 50 CD2 PHE A 4 7.971 -11.534 3.395 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.361 -9.105 3.348 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.875 -11.267 2.363 1.00 0.00 C ATOM 53 CZ PHE A 4 9.569 -10.052 2.337 1.00 0.00 C ATOM 0 H PHE A 4 6.571 -8.504 6.412 1.00 0.00 H new ATOM 0 HA PHE A 4 5.168 -10.037 4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.261 -10.671 6.486 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.516 -11.929 5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.295 -8.642 5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.433 -12.470 3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.898 -8.168 3.330 1.00 0.00 H new ATOM 0 HE2 PHE A 4 9.038 -11.999 1.585 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.265 -9.845 1.538 1.00 0.00 H new ATOM 63 N ILE A 5 3.619 -11.421 5.726 1.00 0.00 N ATOM 64 CA ILE A 5 2.533 -12.058 6.470 1.00 0.00 C ATOM 65 C ILE A 5 2.784 -13.570 6.524 1.00 0.00 C ATOM 66 O ILE A 5 3.104 -14.168 5.498 1.00 0.00 O ATOM 67 CB ILE A 5 1.211 -11.804 5.746 1.00 0.00 C ATOM 68 CG1 ILE A 5 1.058 -10.309 5.450 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.054 -12.265 6.626 1.00 0.00 C ATOM 70 CD1 ILE A 5 -0.199 -10.048 4.598 1.00 0.00 C ATOM 0 H ILE A 5 3.675 -11.707 4.748 1.00 0.00 H new ATOM 0 HA ILE A 5 2.489 -11.649 7.479 1.00 0.00 H new ATOM 0 HB ILE A 5 1.204 -12.359 4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.991 -9.753 6.385 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.941 -9.945 4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.889 -12.084 6.111 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.156 -13.330 6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.067 -11.710 7.564 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.289 -8.980 4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.117 -10.587 3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.082 -10.392 5.137 1.00 0.00 H new ATOM 82 N PRO A 6 2.660 -14.216 7.666 1.00 0.00 N ATOM 83 CA PRO A 6 2.903 -15.683 7.750 1.00 0.00 C ATOM 84 C PRO A 6 1.777 -16.495 7.128 1.00 0.00 C ATOM 85 O PRO A 6 0.627 -16.399 7.553 1.00 0.00 O ATOM 86 CB PRO A 6 2.999 -15.967 9.256 1.00 0.00 C ATOM 87 CG PRO A 6 2.225 -14.864 9.918 1.00 0.00 C ATOM 88 CD PRO A 6 2.288 -13.649 8.978 1.00 0.00 C ATOM 0 HA PRO A 6 3.800 -15.967 7.200 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.579 -16.943 9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.037 -15.974 9.589 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.192 -15.166 10.090 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.652 -14.622 10.891 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.329 -13.134 8.930 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.024 -12.921 9.319 1.00 0.00 H new ATOM 96 N ASN A 7 2.124 -17.300 6.126 1.00 0.00 N ATOM 97 CA ASN A 7 1.142 -18.147 5.453 1.00 0.00 C ATOM 98 C ASN A 7 0.145 -18.694 6.471 1.00 0.00 C ATOM 99 O ASN A 7 -1.006 -18.983 6.148 1.00 0.00 O ATOM 100 CB ASN A 7 1.850 -19.310 4.751 1.00 0.00 C ATOM 101 CG ASN A 7 0.936 -19.925 3.700 1.00 0.00 C ATOM 102 OD1 ASN A 7 0.049 -19.254 3.174 1.00 0.00 O ATOM 103 ND2 ASN A 7 1.104 -21.171 3.356 1.00 0.00 N ATOM 0 H ASN A 7 3.074 -17.384 5.763 1.00 0.00 H new ATOM 0 HA ASN A 7 0.609 -17.551 4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.769 -18.957 4.283 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.136 -20.066 5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.500 -21.591 2.650 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.840 -21.726 3.793 1.00 0.00 H new ATOM 252 N CYS A 18 -2.339 -19.483 1.138 1.00 0.00 N ATOM 253 CA CYS A 18 -2.041 -18.641 -0.026 1.00 0.00 C ATOM 254 C CYS A 18 -3.262 -18.543 -0.937 1.00 0.00 C ATOM 255 O CYS A 18 -3.360 -19.239 -1.947 1.00 0.00 O ATOM 256 CB CYS A 18 -0.843 -19.221 -0.799 1.00 0.00 C ATOM 257 SG CYS A 18 -0.815 -18.596 -2.502 1.00 0.00 S ATOM 0 HA CYS A 18 -1.787 -17.639 0.319 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.085 -18.955 -0.294 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.901 -20.309 -0.807 1.00 0.00 H new ATOM 262 N MET A 19 -4.187 -17.662 -0.574 1.00 0.00 N ATOM 263 CA MET A 19 -5.400 -17.454 -1.365 1.00 0.00 C ATOM 264 C MET A 19 -5.813 -15.990 -1.294 1.00 0.00 C ATOM 265 O MET A 19 -5.740 -15.369 -0.233 1.00 0.00 O ATOM 266 CB MET A 19 -6.533 -18.342 -0.848 1.00 0.00 C ATOM 267 CG MET A 19 -7.782 -18.142 -1.713 1.00 0.00 C ATOM 268 SD MET A 19 -9.101 -19.246 -1.136 1.00 0.00 S ATOM 269 CE MET A 19 -9.226 -20.293 -2.607 1.00 0.00 C ATOM 0 H MET A 19 -4.123 -17.080 0.261 1.00 0.00 H new ATOM 0 HA MET A 19 -5.195 -17.721 -2.402 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.227 -19.388 -0.870 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.755 -18.097 0.191 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.112 -17.105 -1.659 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.551 -18.349 -2.758 1.00 0.00 H new ATOM 0 HE1 MET A 19 -10.248 -20.658 -2.708 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.958 -19.713 -3.490 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.547 -21.140 -2.510 1.00 0.00 H new ATOM 279 N ASP A 20 -6.238 -15.438 -2.426 1.00 0.00 N ATOM 280 CA ASP A 20 -6.652 -14.040 -2.470 1.00 0.00 C ATOM 281 C ASP A 20 -8.101 -13.890 -2.018 1.00 0.00 C ATOM 282 O ASP A 20 -8.811 -14.875 -1.825 1.00 0.00 O ATOM 283 CB ASP A 20 -6.496 -13.491 -3.887 1.00 0.00 C ATOM 284 CG ASP A 20 -7.429 -14.228 -4.838 1.00 0.00 C ATOM 285 OD1 ASP A 20 -8.068 -15.170 -4.397 1.00 0.00 O ATOM 286 OD2 ASP A 20 -7.495 -13.840 -5.992 1.00 0.00 O ATOM 0 H ASP A 20 -6.305 -15.931 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.014 -13.474 -1.791 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.720 -12.424 -3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.463 -13.604 -4.218 1.00 0.00 H new ATOM 291 N LEU A 21 -8.521 -12.645 -1.839 1.00 0.00 N ATOM 292 CA LEU A 21 -9.878 -12.350 -1.395 1.00 0.00 C ATOM 293 C LEU A 21 -10.913 -12.752 -2.445 1.00 0.00 C ATOM 294 O LEU A 21 -12.061 -13.041 -2.113 1.00 0.00 O ATOM 295 CB LEU A 21 -10.002 -10.850 -1.089 1.00 0.00 C ATOM 296 CG LEU A 21 -9.391 -10.540 0.291 1.00 0.00 C ATOM 297 CD1 LEU A 21 -10.270 -11.124 1.420 1.00 0.00 C ATOM 298 CD2 LEU A 21 -7.977 -11.141 0.372 1.00 0.00 C ATOM 0 H LEU A 21 -7.941 -11.821 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.074 -12.931 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.493 -10.270 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.050 -10.553 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.339 -9.458 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.821 -10.894 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.266 -10.685 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.343 -12.205 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.544 -10.922 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.032 -12.221 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.352 -10.707 -0.408 1.00 0.00 H new ATOM 310 N LYS A 22 -10.503 -12.776 -3.707 1.00 0.00 N ATOM 311 CA LYS A 22 -11.411 -13.151 -4.785 1.00 0.00 C ATOM 312 C LYS A 22 -11.836 -14.611 -4.640 1.00 0.00 C ATOM 313 O LYS A 22 -12.983 -14.964 -4.917 1.00 0.00 O ATOM 314 CB LYS A 22 -10.726 -12.953 -6.142 1.00 0.00 C ATOM 315 CG LYS A 22 -10.302 -11.487 -6.324 1.00 0.00 C ATOM 316 CD LYS A 22 -11.510 -10.616 -6.692 1.00 0.00 C ATOM 317 CE LYS A 22 -11.046 -9.180 -6.939 1.00 0.00 C ATOM 318 NZ LYS A 22 -12.224 -8.335 -7.284 1.00 0.00 N ATOM 0 H LYS A 22 -9.557 -12.543 -4.008 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.294 -12.515 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.853 -13.601 -6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.405 -13.243 -6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.847 -11.118 -5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.545 -11.416 -7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.998 -11.010 -7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.246 -10.639 -5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.550 -8.788 -6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.317 -9.155 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.042 -7.352 -6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.388 -8.371 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.065 -8.691 -6.786 1.00 0.00 H new ATOM 332 N GLY A 23 -10.895 -15.457 -4.226 1.00 0.00 N ATOM 333 CA GLY A 23 -11.157 -16.891 -4.065 1.00 0.00 C ATOM 334 C GLY A 23 -10.331 -17.678 -5.074 1.00 0.00 C ATOM 335 O GLY A 23 -10.559 -18.867 -5.301 1.00 0.00 O ATOM 0 H GLY A 23 -9.942 -15.177 -3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.907 -17.205 -3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.218 -17.096 -4.210 1.00 0.00 H new ATOM 339 N ASN A 24 -9.376 -16.983 -5.687 1.00 0.00 N ATOM 340 CA ASN A 24 -8.502 -17.587 -6.693 1.00 0.00 C ATOM 341 C ASN A 24 -7.143 -17.934 -6.095 1.00 0.00 C ATOM 342 O ASN A 24 -6.535 -17.126 -5.390 1.00 0.00 O ATOM 343 CB ASN A 24 -8.315 -16.616 -7.859 1.00 0.00 C ATOM 344 CG ASN A 24 -9.641 -16.421 -8.590 1.00 0.00 C ATOM 345 OD1 ASN A 24 -9.882 -15.360 -9.165 1.00 0.00 O ATOM 346 ND2 ASN A 24 -10.519 -17.387 -8.602 1.00 0.00 N ATOM 0 H ASN A 24 -9.186 -15.998 -5.505 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.968 -18.506 -7.048 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.948 -15.658 -7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.563 -17.001 -8.548 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.407 -17.263 -9.089 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.317 -18.266 -8.125 1.00 0.00 H new ATOM 353 N LYS A 25 -6.671 -19.143 -6.391 1.00 0.00 N ATOM 354 CA LYS A 25 -5.378 -19.609 -5.892 1.00 0.00 C ATOM 355 C LYS A 25 -4.279 -19.300 -6.905 1.00 0.00 C ATOM 356 O LYS A 25 -4.560 -19.015 -8.069 1.00 0.00 O ATOM 357 CB LYS A 25 -5.425 -21.117 -5.636 1.00 0.00 C ATOM 358 CG LYS A 25 -6.403 -21.415 -4.494 1.00 0.00 C ATOM 359 CD LYS A 25 -6.225 -22.861 -4.019 1.00 0.00 C ATOM 360 CE LYS A 25 -6.538 -23.828 -5.162 1.00 0.00 C ATOM 361 NZ LYS A 25 -6.727 -25.202 -4.614 1.00 0.00 N ATOM 0 H LYS A 25 -7.165 -19.819 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.161 -19.091 -4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.736 -21.640 -6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.431 -21.484 -5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.230 -20.727 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.428 -21.257 -4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.204 -23.015 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.884 -23.059 -3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.438 -23.508 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.726 -23.824 -5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.940 -25.859 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.857 -25.506 -4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.516 -25.200 -3.936 1.00 0.00 H new ATOM 375 N HIS A 26 -3.025 -19.352 -6.456 1.00 0.00 N ATOM 376 CA HIS A 26 -1.890 -19.071 -7.337 1.00 0.00 C ATOM 377 C HIS A 26 -0.666 -19.901 -6.917 1.00 0.00 C ATOM 378 O HIS A 26 -0.442 -20.109 -5.724 1.00 0.00 O ATOM 379 CB HIS A 26 -1.543 -17.580 -7.271 1.00 0.00 C ATOM 380 CG HIS A 26 -2.811 -16.769 -7.258 1.00 0.00 C ATOM 381 ND1 HIS A 26 -3.677 -16.733 -8.339 1.00 0.00 N ATOM 382 CD2 HIS A 26 -3.371 -15.957 -6.301 1.00 0.00 C ATOM 383 CE1 HIS A 26 -4.702 -15.925 -8.011 1.00 0.00 C ATOM 384 NE2 HIS A 26 -4.565 -15.426 -6.780 1.00 0.00 N ATOM 0 H HIS A 26 -2.770 -19.584 -5.496 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.165 -19.339 -8.357 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.956 -17.372 -6.376 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.929 -17.301 -8.127 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.949 -15.761 -5.326 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -5.534 -15.707 -8.664 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -5.199 -14.792 -6.295 1.00 0.00 H new ATOM 393 N PRO A 27 0.133 -20.374 -7.855 1.00 0.00 N ATOM 394 CA PRO A 27 1.348 -21.185 -7.537 1.00 0.00 C ATOM 395 C PRO A 27 2.464 -20.320 -6.961 1.00 0.00 C ATOM 396 O PRO A 27 2.410 -19.093 -7.044 1.00 0.00 O ATOM 397 CB PRO A 27 1.740 -21.782 -8.895 1.00 0.00 C ATOM 398 CG PRO A 27 1.274 -20.775 -9.890 1.00 0.00 C ATOM 399 CD PRO A 27 -0.019 -20.191 -9.315 1.00 0.00 C ATOM 0 HA PRO A 27 1.164 -21.945 -6.778 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.816 -21.940 -8.964 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.265 -22.750 -9.056 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.023 -19.997 -10.039 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.097 -21.237 -10.861 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.135 -19.139 -9.577 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.898 -20.713 -9.695 1.00 0.00 H new ATOM 407 N ILE A 28 3.482 -20.955 -6.389 1.00 0.00 N ATOM 408 CA ILE A 28 4.596 -20.204 -5.826 1.00 0.00 C ATOM 409 C ILE A 28 5.205 -19.305 -6.896 1.00 0.00 C ATOM 410 O ILE A 28 5.112 -19.597 -8.089 1.00 0.00 O ATOM 411 CB ILE A 28 5.674 -21.154 -5.286 1.00 0.00 C ATOM 412 CG1 ILE A 28 5.088 -22.058 -4.184 1.00 0.00 C ATOM 413 CG2 ILE A 28 6.854 -20.344 -4.734 1.00 0.00 C ATOM 414 CD1 ILE A 28 4.497 -21.223 -3.037 1.00 0.00 C ATOM 0 H ILE A 28 3.558 -21.969 -6.304 1.00 0.00 H new ATOM 0 HA ILE A 28 4.220 -19.596 -5.004 1.00 0.00 H new ATOM 0 HB ILE A 28 6.027 -21.786 -6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.314 -22.698 -4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.867 -22.714 -3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.615 -21.024 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.280 -19.733 -5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.507 -19.699 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.091 -21.888 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.279 -20.602 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.702 -20.586 -3.423 1.00 0.00 H new ATOM 426 N ASN A 29 5.815 -18.213 -6.455 1.00 0.00 N ATOM 427 CA ASN A 29 6.443 -17.254 -7.363 1.00 0.00 C ATOM 428 C ASN A 29 5.399 -16.496 -8.180 1.00 0.00 C ATOM 429 O ASN A 29 5.746 -15.744 -9.092 1.00 0.00 O ATOM 430 CB ASN A 29 7.416 -17.964 -8.312 1.00 0.00 C ATOM 431 CG ASN A 29 8.355 -16.943 -8.946 1.00 0.00 C ATOM 432 OD1 ASN A 29 8.033 -16.357 -9.980 1.00 0.00 O ATOM 433 ND2 ASN A 29 9.503 -16.690 -8.381 1.00 0.00 N ATOM 0 H ASN A 29 5.890 -17.966 -5.468 1.00 0.00 H new ATOM 0 HA ASN A 29 6.993 -16.539 -6.751 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.992 -18.711 -7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.862 -18.493 -9.087 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.136 -16.006 -8.796 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.768 -17.176 -7.524 1.00 0.00 H new ATOM 440 N SER A 30 4.124 -16.672 -7.840 1.00 0.00 N ATOM 441 CA SER A 30 3.046 -15.972 -8.543 1.00 0.00 C ATOM 442 C SER A 30 2.617 -14.754 -7.738 1.00 0.00 C ATOM 443 O SER A 30 2.543 -14.809 -6.511 1.00 0.00 O ATOM 444 CB SER A 30 1.845 -16.895 -8.742 1.00 0.00 C ATOM 445 OG SER A 30 0.942 -16.289 -9.660 1.00 0.00 O ATOM 0 H SER A 30 3.811 -17.287 -7.089 1.00 0.00 H new ATOM 0 HA SER A 30 3.415 -15.659 -9.520 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.173 -17.863 -9.120 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.348 -17.077 -7.789 1.00 0.00 H new ATOM 0 HG SER A 30 0.253 -16.937 -9.917 1.00 0.00 H new ATOM 451 N GLU A 31 2.335 -13.654 -8.431 1.00 0.00 N ATOM 452 CA GLU A 31 1.911 -12.419 -7.771 1.00 0.00 C ATOM 453 C GLU A 31 0.503 -12.056 -8.222 1.00 0.00 C ATOM 454 O GLU A 31 0.139 -12.268 -9.379 1.00 0.00 O ATOM 455 CB GLU A 31 2.868 -11.282 -8.132 1.00 0.00 C ATOM 456 CG GLU A 31 4.270 -11.614 -7.621 1.00 0.00 C ATOM 457 CD GLU A 31 5.247 -10.505 -8.003 1.00 0.00 C ATOM 458 OE1 GLU A 31 4.812 -9.544 -8.615 1.00 0.00 O ATOM 459 OE2 GLU A 31 6.416 -10.635 -7.678 1.00 0.00 O ATOM 0 H GLU A 31 2.392 -13.591 -9.447 1.00 0.00 H new ATOM 0 HA GLU A 31 1.921 -12.570 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.888 -11.138 -9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.521 -10.347 -7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.251 -11.735 -6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.603 -12.563 -8.042 1.00 0.00 H new ATOM 466 N TRP A 32 -0.291 -11.508 -7.305 1.00 0.00 N ATOM 467 CA TRP A 32 -1.668 -11.119 -7.621 1.00 0.00 C ATOM 468 C TRP A 32 -1.949 -9.709 -7.111 1.00 0.00 C ATOM 469 O TRP A 32 -1.692 -9.393 -5.949 1.00 0.00 O ATOM 470 CB TRP A 32 -2.645 -12.110 -6.982 1.00 0.00 C ATOM 471 CG TRP A 32 -2.454 -12.116 -5.500 1.00 0.00 C ATOM 472 CD1 TRP A 32 -3.190 -11.401 -4.623 1.00 0.00 C ATOM 473 CD2 TRP A 32 -1.476 -12.856 -4.709 1.00 0.00 C ATOM 474 NE1 TRP A 32 -2.732 -11.656 -3.341 1.00 0.00 N ATOM 475 CE2 TRP A 32 -1.675 -12.547 -3.343 1.00 0.00 C ATOM 476 CE3 TRP A 32 -0.446 -13.755 -5.041 1.00 0.00 C ATOM 477 CZ2 TRP A 32 -0.879 -13.114 -2.339 1.00 0.00 C ATOM 478 CZ3 TRP A 32 0.356 -14.321 -4.035 1.00 0.00 C ATOM 479 CH2 TRP A 32 0.137 -13.998 -2.686 1.00 0.00 C ATOM 0 H TRP A 32 -0.009 -11.323 -6.342 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.799 -11.132 -8.703 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.671 -11.833 -7.226 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.480 -13.110 -7.384 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.003 -10.738 -4.879 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.126 -11.238 -2.498 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.270 -14.012 -6.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.053 -12.866 -1.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.145 -15.008 -4.301 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.757 -14.436 -1.918 1.00 0.00 H new ATOM 490 N GLN A 33 -2.480 -8.866 -7.993 1.00 0.00 N ATOM 491 CA GLN A 33 -2.798 -7.489 -7.634 1.00 0.00 C ATOM 492 C GLN A 33 -4.134 -7.421 -6.905 1.00 0.00 C ATOM 493 O GLN A 33 -5.081 -8.124 -7.257 1.00 0.00 O ATOM 494 CB GLN A 33 -2.861 -6.619 -8.892 1.00 0.00 C ATOM 495 CG GLN A 33 -1.471 -6.525 -9.523 1.00 0.00 C ATOM 496 CD GLN A 33 -1.537 -5.700 -10.804 1.00 0.00 C ATOM 497 OE1 GLN A 33 -2.523 -5.767 -11.537 1.00 0.00 O ATOM 498 NE2 GLN A 33 -0.539 -4.919 -11.117 1.00 0.00 N ATOM 0 H GLN A 33 -2.698 -9.112 -8.958 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.014 -7.118 -6.974 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.567 -7.045 -9.605 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.225 -5.623 -8.639 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.774 -6.068 -8.821 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.093 -7.524 -9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.277 -4.865 -10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.575 -4.362 -11.971 1.00 0.00 H new ATOM 507 N THR A 34 -4.201 -6.577 -5.875 1.00 0.00 N ATOM 508 CA THR A 34 -5.425 -6.422 -5.085 1.00 0.00 C ATOM 509 C THR A 34 -6.170 -5.146 -5.469 1.00 0.00 C ATOM 510 O THR A 34 -5.626 -4.278 -6.153 1.00 0.00 O ATOM 511 CB THR A 34 -5.072 -6.373 -3.600 1.00 0.00 C ATOM 512 OG1 THR A 34 -4.293 -5.213 -3.343 1.00 0.00 O ATOM 513 CG2 THR A 34 -4.273 -7.621 -3.224 1.00 0.00 C ATOM 0 H THR A 34 -3.425 -5.991 -5.568 1.00 0.00 H new ATOM 0 HA THR A 34 -6.073 -7.275 -5.288 1.00 0.00 H new ATOM 0 HB THR A 34 -5.986 -6.338 -3.006 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.441 -5.279 -3.822 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.021 -7.586 -2.164 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.870 -8.510 -3.426 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.357 -7.658 -3.814 1.00 0.00 H new ATOM 521 N ASP A 35 -7.416 -5.044 -5.018 1.00 0.00 N ATOM 522 CA ASP A 35 -8.242 -3.875 -5.311 1.00 0.00 C ATOM 523 C ASP A 35 -7.940 -2.750 -4.331 1.00 0.00 C ATOM 524 O ASP A 35 -8.548 -1.682 -4.389 1.00 0.00 O ATOM 525 CB ASP A 35 -9.720 -4.250 -5.218 1.00 0.00 C ATOM 526 CG ASP A 35 -10.068 -5.249 -6.315 1.00 0.00 C ATOM 527 OD1 ASP A 35 -9.260 -5.416 -7.213 1.00 0.00 O ATOM 528 OD2 ASP A 35 -11.136 -5.833 -6.240 1.00 0.00 O ATOM 0 H ASP A 35 -7.877 -5.754 -4.449 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.015 -3.533 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.935 -4.680 -4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.338 -3.358 -5.316 1.00 0.00 H new ATOM 533 N ASN A 36 -6.990 -3.000 -3.435 1.00 0.00 N ATOM 534 CA ASN A 36 -6.587 -2.008 -2.438 1.00 0.00 C ATOM 535 C ASN A 36 -5.231 -1.428 -2.812 1.00 0.00 C ATOM 536 O ASN A 36 -4.501 -0.931 -1.961 1.00 0.00 O ATOM 537 CB ASN A 36 -6.501 -2.664 -1.059 1.00 0.00 C ATOM 538 CG ASN A 36 -7.892 -3.076 -0.587 1.00 0.00 C ATOM 539 OD1 ASN A 36 -8.030 -4.015 0.197 1.00 0.00 O ATOM 540 ND2 ASN A 36 -8.941 -2.425 -1.015 1.00 0.00 N ATOM 0 H ASN A 36 -6.482 -3.883 -3.377 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.327 -1.208 -2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.850 -3.537 -1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.057 -1.971 -0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.873 -2.695 -0.699 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.828 -1.647 -1.665 1.00 0.00 H new ATOM 547 N CYS A 37 -4.905 -1.501 -4.098 1.00 0.00 N ATOM 548 CA CYS A 37 -3.629 -0.989 -4.589 1.00 0.00 C ATOM 549 C CYS A 37 -2.468 -1.592 -3.791 1.00 0.00 C ATOM 550 O CYS A 37 -1.570 -0.891 -3.327 1.00 0.00 O ATOM 551 CB CYS A 37 -3.620 0.556 -4.527 1.00 0.00 C ATOM 552 SG CYS A 37 -3.902 1.228 -6.187 1.00 0.00 S ATOM 0 H CYS A 37 -5.503 -1.908 -4.817 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.501 -1.285 -5.630 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.393 0.908 -3.844 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.666 0.910 -4.137 1.00 0.00 H new ATOM 557 N GLU A 38 -2.480 -2.913 -3.668 1.00 0.00 N ATOM 558 CA GLU A 38 -1.422 -3.634 -2.964 1.00 0.00 C ATOM 559 C GLU A 38 -1.075 -4.884 -3.760 1.00 0.00 C ATOM 560 O GLU A 38 -1.923 -5.418 -4.475 1.00 0.00 O ATOM 561 CB GLU A 38 -1.875 -4.025 -1.551 1.00 0.00 C ATOM 562 CG GLU A 38 -2.013 -2.773 -0.682 1.00 0.00 C ATOM 563 CD GLU A 38 -2.567 -3.149 0.689 1.00 0.00 C ATOM 564 OE1 GLU A 38 -2.800 -4.325 0.910 1.00 0.00 O ATOM 565 OE2 GLU A 38 -2.748 -2.254 1.498 1.00 0.00 O ATOM 0 H GLU A 38 -3.214 -3.511 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.547 -2.990 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.828 -4.552 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.154 -4.710 -1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.043 -2.288 -0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.675 -2.055 -1.166 1.00 0.00 H new ATOM 572 N THR A 39 0.168 -5.352 -3.651 1.00 0.00 N ATOM 573 CA THR A 39 0.597 -6.550 -4.385 1.00 0.00 C ATOM 574 C THR A 39 1.271 -7.544 -3.446 1.00 0.00 C ATOM 575 O THR A 39 2.241 -7.211 -2.765 1.00 0.00 O ATOM 576 CB THR A 39 1.568 -6.145 -5.498 1.00 0.00 C ATOM 577 OG1 THR A 39 0.907 -5.270 -6.402 1.00 0.00 O ATOM 578 CG2 THR A 39 2.042 -7.391 -6.249 1.00 0.00 C ATOM 0 H THR A 39 0.891 -4.928 -3.069 1.00 0.00 H new ATOM 0 HA THR A 39 -0.280 -7.029 -4.820 1.00 0.00 H new ATOM 0 HB THR A 39 2.429 -5.640 -5.061 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.526 -5.007 -7.115 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.733 -7.098 -7.040 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.548 -8.063 -5.556 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.184 -7.900 -6.687 1.00 0.00 H new ATOM 586 N CYS A 40 0.741 -8.768 -3.413 1.00 0.00 N ATOM 587 CA CYS A 40 1.280 -9.820 -2.547 1.00 0.00 C ATOM 588 C CYS A 40 1.822 -10.995 -3.359 1.00 0.00 C ATOM 589 O CYS A 40 1.417 -11.226 -4.499 1.00 0.00 O ATOM 590 CB CYS A 40 0.194 -10.305 -1.580 1.00 0.00 C ATOM 591 SG CYS A 40 -0.188 -9.007 -0.375 1.00 0.00 S ATOM 0 H CYS A 40 -0.060 -9.056 -3.975 1.00 0.00 H new ATOM 0 HA CYS A 40 2.110 -9.397 -1.981 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.705 -10.573 -2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.530 -11.204 -1.064 1.00 0.00 H new ATOM 596 N THR A 41 2.762 -11.721 -2.749 1.00 0.00 N ATOM 597 CA THR A 41 3.407 -12.876 -3.388 1.00 0.00 C ATOM 598 C THR A 41 3.332 -14.109 -2.485 1.00 0.00 C ATOM 599 O THR A 41 3.471 -14.004 -1.270 1.00 0.00 O ATOM 600 CB THR A 41 4.877 -12.548 -3.658 1.00 0.00 C ATOM 601 OG1 THR A 41 4.968 -11.322 -4.369 1.00 0.00 O ATOM 602 CG2 THR A 41 5.509 -13.668 -4.485 1.00 0.00 C ATOM 0 H THR A 41 3.097 -11.529 -1.805 1.00 0.00 H new ATOM 0 HA THR A 41 2.887 -13.090 -4.322 1.00 0.00 H new ATOM 0 HB THR A 41 5.407 -12.456 -2.710 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.910 -11.112 -4.540 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.556 -13.433 -4.676 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.443 -14.607 -3.936 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.980 -13.764 -5.433 1.00 0.00 H new ATOM 610 N CYS A 42 3.117 -15.279 -3.091 1.00 0.00 N ATOM 611 CA CYS A 42 3.029 -16.534 -2.337 1.00 0.00 C ATOM 612 C CYS A 42 4.372 -17.264 -2.355 1.00 0.00 C ATOM 613 O CYS A 42 4.957 -17.476 -3.415 1.00 0.00 O ATOM 614 CB CYS A 42 1.951 -17.447 -2.950 1.00 0.00 C ATOM 615 SG CYS A 42 0.311 -16.927 -2.396 1.00 0.00 S ATOM 0 H CYS A 42 3.001 -15.385 -4.099 1.00 0.00 H new ATOM 0 HA CYS A 42 2.763 -16.295 -1.307 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.006 -17.408 -4.038 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.131 -18.482 -2.659 1.00 0.00 H new ATOM 620 N TYR A 43 4.828 -17.683 -1.175 1.00 0.00 N ATOM 621 CA TYR A 43 6.082 -18.438 -1.045 1.00 0.00 C ATOM 622 C TYR A 43 5.783 -19.799 -0.428 1.00 0.00 C ATOM 623 O TYR A 43 4.628 -20.120 -0.145 1.00 0.00 O ATOM 624 CB TYR A 43 7.112 -17.695 -0.181 1.00 0.00 C ATOM 625 CG TYR A 43 7.652 -16.504 -0.937 1.00 0.00 C ATOM 626 CD1 TYR A 43 8.685 -16.679 -1.868 1.00 0.00 C ATOM 627 CD2 TYR A 43 7.131 -15.227 -0.700 1.00 0.00 C ATOM 628 CE1 TYR A 43 9.192 -15.576 -2.566 1.00 0.00 C ATOM 629 CE2 TYR A 43 7.637 -14.125 -1.400 1.00 0.00 C ATOM 630 CZ TYR A 43 8.668 -14.299 -2.331 1.00 0.00 C ATOM 631 OH TYR A 43 9.167 -13.211 -3.017 1.00 0.00 O ATOM 0 H TYR A 43 4.349 -17.514 -0.291 1.00 0.00 H new ATOM 0 HA TYR A 43 6.511 -18.556 -2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.650 -17.367 0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 43 7.927 -18.367 0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.090 -17.664 -2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.339 -15.092 0.022 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.987 -15.710 -3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.232 -13.140 -1.222 1.00 0.00 H new ATOM 0 HH TYR A 43 8.692 -12.401 -2.736 1.00 0.00 H new ATOM 641 N GLU A 44 6.818 -20.602 -0.240 1.00 0.00 N ATOM 642 CA GLU A 44 6.647 -21.938 0.320 1.00 0.00 C ATOM 643 C GLU A 44 5.799 -21.914 1.592 1.00 0.00 C ATOM 644 O GLU A 44 4.822 -22.656 1.706 1.00 0.00 O ATOM 645 CB GLU A 44 8.013 -22.533 0.644 1.00 0.00 C ATOM 646 CG GLU A 44 8.781 -22.781 -0.654 1.00 0.00 C ATOM 647 CD GLU A 44 10.175 -23.309 -0.340 1.00 0.00 C ATOM 648 OE1 GLU A 44 10.446 -23.551 0.826 1.00 0.00 O ATOM 649 OE2 GLU A 44 10.953 -23.460 -1.267 1.00 0.00 O ATOM 0 H GLU A 44 7.782 -20.356 -0.465 1.00 0.00 H new ATOM 0 HA GLU A 44 6.131 -22.547 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.574 -21.855 1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.894 -23.467 1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.242 -23.498 -1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.854 -21.856 -1.226 1.00 0.00 H new ATOM 656 N THR A 45 6.181 -21.079 2.554 1.00 0.00 N ATOM 657 CA THR A 45 5.450 -20.993 3.820 1.00 0.00 C ATOM 658 C THR A 45 5.370 -19.553 4.314 1.00 0.00 C ATOM 659 O THR A 45 5.365 -19.309 5.522 1.00 0.00 O ATOM 660 CB THR A 45 6.156 -21.854 4.873 1.00 0.00 C ATOM 661 OG1 THR A 45 7.448 -21.322 5.131 1.00 0.00 O ATOM 662 CG2 THR A 45 6.287 -23.288 4.354 1.00 0.00 C ATOM 0 H THR A 45 6.986 -20.456 2.485 1.00 0.00 H new ATOM 0 HA THR A 45 4.435 -21.355 3.656 1.00 0.00 H new ATOM 0 HB THR A 45 5.573 -21.853 5.794 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.899 -21.871 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.789 -23.901 5.102 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.295 -23.696 4.157 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.870 -23.290 3.433 1.00 0.00 H new ATOM 670 N GLU A 46 5.287 -18.601 3.385 1.00 0.00 N ATOM 671 CA GLU A 46 5.191 -17.190 3.757 1.00 0.00 C ATOM 672 C GLU A 46 4.576 -16.374 2.621 1.00 0.00 C ATOM 673 O GLU A 46 4.577 -16.794 1.466 1.00 0.00 O ATOM 674 CB GLU A 46 6.579 -16.611 4.073 1.00 0.00 C ATOM 675 CG GLU A 46 7.135 -17.225 5.362 1.00 0.00 C ATOM 676 CD GLU A 46 8.383 -16.468 5.803 1.00 0.00 C ATOM 677 OE1 GLU A 46 8.693 -15.463 5.186 1.00 0.00 O ATOM 678 OE2 GLU A 46 9.009 -16.906 6.754 1.00 0.00 O ATOM 0 H GLU A 46 5.284 -18.778 2.380 1.00 0.00 H new ATOM 0 HA GLU A 46 4.558 -17.130 4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.260 -16.810 3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.513 -15.528 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.380 -17.188 6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.375 -18.276 5.200 1.00 0.00 H new ATOM 685 N ILE A 47 4.067 -15.193 2.956 1.00 0.00 N ATOM 686 CA ILE A 47 3.473 -14.295 1.961 1.00 0.00 C ATOM 687 C ILE A 47 4.050 -12.897 2.143 1.00 0.00 C ATOM 688 O ILE A 47 4.077 -12.362 3.249 1.00 0.00 O ATOM 689 CB ILE A 47 1.943 -14.264 2.100 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.358 -15.633 1.702 1.00 0.00 C ATOM 691 CG2 ILE A 47 1.360 -13.177 1.183 1.00 0.00 C ATOM 692 CD1 ILE A 47 -0.012 -15.829 2.359 1.00 0.00 C ATOM 0 H ILE A 47 4.052 -14.831 3.910 1.00 0.00 H new ATOM 0 HA ILE A 47 3.711 -14.661 0.962 1.00 0.00 H new ATOM 0 HB ILE A 47 1.684 -14.043 3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.263 -15.696 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.035 -16.430 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.275 -13.159 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.767 -12.206 1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.624 -13.394 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.418 -16.799 2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.095 -15.787 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.689 -15.041 2.030 1.00 0.00 H new ATOM 704 N SER A 48 4.490 -12.304 1.043 1.00 0.00 N ATOM 705 CA SER A 48 5.044 -10.954 1.072 1.00 0.00 C ATOM 706 C SER A 48 3.974 -9.989 0.605 1.00 0.00 C ATOM 707 O SER A 48 3.096 -10.371 -0.161 1.00 0.00 O ATOM 708 CB SER A 48 6.265 -10.860 0.157 1.00 0.00 C ATOM 709 OG SER A 48 6.793 -9.541 0.213 1.00 0.00 O ATOM 0 H SER A 48 4.475 -12.734 0.118 1.00 0.00 H new ATOM 0 HA SER A 48 5.358 -10.706 2.086 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.022 -11.581 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.987 -11.110 -0.867 1.00 0.00 H new ATOM 0 HG SER A 48 7.579 -9.528 0.798 1.00 0.00 H new ATOM 715 N CYS A 49 4.030 -8.750 1.075 1.00 0.00 N ATOM 716 CA CYS A 49 3.029 -7.764 0.687 1.00 0.00 C ATOM 717 C CYS A 49 3.586 -6.356 0.767 1.00 0.00 C ATOM 718 O CYS A 49 3.899 -5.859 1.848 1.00 0.00 O ATOM 719 CB CYS A 49 1.803 -7.887 1.588 1.00 0.00 C ATOM 720 SG CYS A 49 0.965 -9.446 1.223 1.00 0.00 S ATOM 0 H CYS A 49 4.746 -8.407 1.716 1.00 0.00 H new ATOM 0 HA CYS A 49 2.744 -7.959 -0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.100 -7.855 2.636 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.127 -7.048 1.422 1.00 0.00 H new ATOM 725 N CYS A 50 3.683 -5.710 -0.391 1.00 0.00 N ATOM 726 CA CYS A 50 4.179 -4.345 -0.474 1.00 0.00 C ATOM 727 C CYS A 50 3.099 -3.456 -1.052 1.00 0.00 C ATOM 728 O CYS A 50 2.388 -3.835 -1.984 1.00 0.00 O ATOM 729 CB CYS A 50 5.433 -4.286 -1.346 1.00 0.00 C ATOM 730 SG CYS A 50 6.595 -5.573 -0.818 1.00 0.00 S ATOM 0 H CYS A 50 3.422 -6.116 -1.290 1.00 0.00 H new ATOM 0 HA CYS A 50 4.440 -3.996 0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.168 -4.428 -2.394 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.899 -3.304 -1.265 1.00 0.00 H new ATOM 735 N THR A 51 2.965 -2.276 -0.471 1.00 0.00 N ATOM 736 CA THR A 51 1.950 -1.327 -0.904 1.00 0.00 C ATOM 737 C THR A 51 2.477 -0.423 -2.009 1.00 0.00 C ATOM 738 O THR A 51 3.682 -0.190 -2.120 1.00 0.00 O ATOM 739 CB THR A 51 1.490 -0.504 0.293 1.00 0.00 C ATOM 740 OG1 THR A 51 0.476 0.398 -0.121 1.00 0.00 O ATOM 741 CG2 THR A 51 2.677 0.270 0.875 1.00 0.00 C ATOM 0 H THR A 51 3.546 -1.951 0.302 1.00 0.00 H new ATOM 0 HA THR A 51 1.102 -1.878 -1.312 1.00 0.00 H new ATOM 0 HB THR A 51 1.091 -1.166 1.062 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.221 0.444 0.566 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.344 0.857 1.731 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.448 -0.432 1.194 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.085 0.936 0.115 1.00 0.00 H new ATOM 749 N LEU A 52 1.553 0.076 -2.823 1.00 0.00 N ATOM 750 CA LEU A 52 1.895 0.945 -3.944 1.00 0.00 C ATOM 751 C LEU A 52 1.883 2.417 -3.522 1.00 0.00 C ATOM 752 O LEU A 52 2.396 3.278 -4.235 1.00 0.00 O ATOM 753 CB LEU A 52 0.861 0.722 -5.062 1.00 0.00 C ATOM 754 CG LEU A 52 0.836 -0.764 -5.471 1.00 0.00 C ATOM 755 CD1 LEU A 52 -0.301 -1.018 -6.474 1.00 0.00 C ATOM 756 CD2 LEU A 52 2.171 -1.151 -6.124 1.00 0.00 C ATOM 0 H LEU A 52 0.554 -0.108 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 52 2.899 0.703 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.127 1.030 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.108 1.341 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 52 0.675 -1.366 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.309 -2.071 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.255 -0.758 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.146 -0.406 -7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.145 -2.203 -6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.334 -0.538 -7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.983 -0.988 -5.416 1.00 0.00 H new ATOM 768 N VAL A 53 1.280 2.698 -2.369 1.00 0.00 N ATOM 769 CA VAL A 53 1.181 4.074 -1.877 1.00 0.00 C ATOM 770 C VAL A 53 2.474 4.536 -1.193 1.00 0.00 C ATOM 771 O VAL A 53 3.058 3.813 -0.385 1.00 0.00 O ATOM 772 CB VAL A 53 0.005 4.180 -0.894 1.00 0.00 C ATOM 773 CG1 VAL A 53 -1.236 3.511 -1.507 1.00 0.00 C ATOM 774 CG2 VAL A 53 0.371 3.496 0.436 1.00 0.00 C ATOM 0 H VAL A 53 0.855 1.998 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 53 1.015 4.725 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.212 5.230 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.071 3.586 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.496 4.012 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.022 2.461 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.467 3.575 1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.595 2.445 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.245 3.984 0.867 1.00 0.00 H new ATOM 784 N SER A 54 2.900 5.759 -1.525 1.00 0.00 N ATOM 785 CA SER A 54 4.112 6.337 -0.944 1.00 0.00 C ATOM 786 C SER A 54 3.772 7.128 0.319 1.00 0.00 C ATOM 787 O SER A 54 2.659 7.635 0.454 1.00 0.00 O ATOM 788 CB SER A 54 4.781 7.260 -1.962 1.00 0.00 C ATOM 789 OG SER A 54 4.715 6.664 -3.251 1.00 0.00 O ATOM 0 H SER A 54 2.423 6.366 -2.192 1.00 0.00 H new ATOM 0 HA SER A 54 4.794 5.529 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.285 8.230 -1.972 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.820 7.436 -1.683 1.00 0.00 H new ATOM 0 HG SER A 54 5.142 7.254 -3.907 1.00 0.00 H new ATOM 795 N THR A 55 4.730 7.234 1.242 1.00 0.00 N ATOM 796 CA THR A 55 4.502 7.970 2.492 1.00 0.00 C ATOM 797 C THR A 55 5.137 9.371 2.438 1.00 0.00 C ATOM 798 O THR A 55 6.303 9.500 2.063 1.00 0.00 O ATOM 799 CB THR A 55 5.117 7.208 3.670 1.00 0.00 C ATOM 800 OG1 THR A 55 4.791 5.829 3.565 1.00 0.00 O ATOM 801 CG2 THR A 55 4.568 7.772 4.980 1.00 0.00 C ATOM 0 H THR A 55 5.661 6.826 1.152 1.00 0.00 H new ATOM 0 HA THR A 55 3.424 8.068 2.622 1.00 0.00 H new ATOM 0 HB THR A 55 6.201 7.322 3.654 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.186 5.341 4.318 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.004 7.231 5.820 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.824 8.829 5.057 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.484 7.659 4.999 1.00 0.00 H new ATOM 809 N PRO A 56 4.427 10.416 2.823 1.00 0.00 N ATOM 810 CA PRO A 56 4.988 11.798 2.827 1.00 0.00 C ATOM 811 C PRO A 56 5.843 12.034 4.068 1.00 0.00 C ATOM 812 O PRO A 56 5.370 11.875 5.194 1.00 0.00 O ATOM 813 CB PRO A 56 3.740 12.686 2.848 1.00 0.00 C ATOM 814 CG PRO A 56 2.730 11.885 3.604 1.00 0.00 C ATOM 815 CD PRO A 56 3.025 10.414 3.289 1.00 0.00 C ATOM 0 HA PRO A 56 5.639 11.996 1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.938 13.640 3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.395 12.911 1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.804 12.076 4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.717 12.152 3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.899 9.785 4.170 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.352 10.028 2.524 1.00 0.00 H new ATOM 823 N VAL A 57 7.099 12.405 3.862 1.00 0.00 N ATOM 824 CA VAL A 57 8.011 12.651 4.975 1.00 0.00 C ATOM 825 C VAL A 57 8.901 13.853 4.677 1.00 0.00 C ATOM 826 O VAL A 57 9.163 14.175 3.517 1.00 0.00 O ATOM 827 CB VAL A 57 8.868 11.404 5.208 1.00 0.00 C ATOM 828 CG1 VAL A 57 9.457 10.938 3.869 1.00 0.00 C ATOM 829 CG2 VAL A 57 10.004 11.723 6.196 1.00 0.00 C ATOM 0 H VAL A 57 7.510 12.542 2.939 1.00 0.00 H new ATOM 0 HA VAL A 57 7.433 12.868 5.873 1.00 0.00 H new ATOM 0 HB VAL A 57 8.249 10.612 5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.068 10.050 4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.648 10.701 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.074 11.731 3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.609 10.830 6.356 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.630 12.516 5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.580 12.049 7.146 1.00 0.00 H new ATOM 839 N GLY A 58 9.361 14.512 5.733 1.00 0.00 N ATOM 840 CA GLY A 58 10.218 15.675 5.582 1.00 0.00 C ATOM 841 C GLY A 58 9.410 16.883 5.129 1.00 0.00 C ATOM 842 O GLY A 58 9.886 17.703 4.344 1.00 0.00 O ATOM 0 H GLY A 58 9.154 14.260 6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.711 15.895 6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.003 15.463 4.856 1.00 0.00 H new ATOM 846 N TYR A 59 8.179 16.986 5.626 1.00 0.00 N ATOM 847 CA TYR A 59 7.300 18.096 5.266 1.00 0.00 C ATOM 848 C TYR A 59 6.677 18.699 6.519 1.00 0.00 C ATOM 849 O TYR A 59 6.563 18.036 7.549 1.00 0.00 O ATOM 850 CB TYR A 59 6.196 17.607 4.318 1.00 0.00 C ATOM 851 CG TYR A 59 5.222 16.708 5.059 1.00 0.00 C ATOM 852 CD1 TYR A 59 5.647 15.476 5.567 1.00 0.00 C ATOM 853 CD2 TYR A 59 3.891 17.114 5.238 1.00 0.00 C ATOM 854 CE1 TYR A 59 4.744 14.653 6.249 1.00 0.00 C ATOM 855 CE2 TYR A 59 2.989 16.291 5.920 1.00 0.00 C ATOM 856 CZ TYR A 59 3.416 15.061 6.427 1.00 0.00 C ATOM 857 OH TYR A 59 2.531 14.246 7.101 1.00 0.00 O ATOM 0 H TYR A 59 7.769 16.316 6.277 1.00 0.00 H new ATOM 0 HA TYR A 59 7.890 18.861 4.760 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.665 18.461 3.897 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.639 17.064 3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.671 15.160 5.433 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.562 18.066 4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.072 13.701 6.639 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.965 16.606 6.054 1.00 0.00 H new ATOM 0 HH TYR A 59 1.652 14.677 7.138 1.00 0.00 H new ATOM 867 N ASP A 60 6.279 19.963 6.424 1.00 0.00 N ATOM 868 CA ASP A 60 5.674 20.646 7.562 1.00 0.00 C ATOM 869 C ASP A 60 4.365 19.967 7.934 1.00 0.00 C ATOM 870 O ASP A 60 3.346 20.166 7.286 1.00 0.00 O ATOM 871 CB ASP A 60 5.421 22.112 7.214 1.00 0.00 C ATOM 872 CG ASP A 60 6.747 22.862 7.138 1.00 0.00 C ATOM 873 OD1 ASP A 60 7.745 22.305 7.566 1.00 0.00 O ATOM 874 OD2 ASP A 60 6.745 23.981 6.652 1.00 0.00 O ATOM 0 H ASP A 60 6.363 20.530 5.581 1.00 0.00 H new ATOM 0 HA ASP A 60 6.355 20.596 8.412 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.897 22.184 6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.778 22.568 7.966 1.00 0.00 H new ATOM 879 N LYS A 61 4.404 19.164 8.983 1.00 0.00 N ATOM 880 CA LYS A 61 3.218 18.450 9.424 1.00 0.00 C ATOM 881 C LYS A 61 2.242 19.379 10.140 1.00 0.00 C ATOM 882 O LYS A 61 1.104 18.998 10.413 1.00 0.00 O ATOM 883 CB LYS A 61 3.619 17.329 10.373 1.00 0.00 C ATOM 884 CG LYS A 61 4.468 16.297 9.629 1.00 0.00 C ATOM 885 CD LYS A 61 4.968 15.241 10.625 1.00 0.00 C ATOM 886 CE LYS A 61 3.804 14.347 11.083 1.00 0.00 C ATOM 887 NZ LYS A 61 3.105 15.004 12.223 1.00 0.00 N ATOM 0 H LYS A 61 5.239 18.990 9.543 1.00 0.00 H new ATOM 0 HA LYS A 61 2.726 18.043 8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.180 17.736 11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.729 16.853 10.784 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.880 15.823 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.313 16.785 9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.743 14.631 10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.421 15.730 11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.109 14.183 10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.177 13.368 11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.073 14.352 13.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.618 15.867 12.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.136 15.252 11.939 1.00 0.00 H new ATOM 901 N ASP A 62 2.690 20.591 10.452 1.00 0.00 N ATOM 902 CA ASP A 62 1.843 21.557 11.152 1.00 0.00 C ATOM 903 C ASP A 62 1.140 22.500 10.176 1.00 0.00 C ATOM 904 O ASP A 62 0.042 22.980 10.454 1.00 0.00 O ATOM 905 CB ASP A 62 2.700 22.375 12.120 1.00 0.00 C ATOM 906 CG ASP A 62 3.843 23.047 11.366 1.00 0.00 C ATOM 907 OD1 ASP A 62 3.971 22.797 10.179 1.00 0.00 O ATOM 908 OD2 ASP A 62 4.570 23.806 11.985 1.00 0.00 O ATOM 0 H ASP A 62 3.628 20.928 10.234 1.00 0.00 H new ATOM 0 HA ASP A 62 1.078 21.004 11.697 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.087 23.129 12.614 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.100 21.728 12.901 1.00 0.00 H new ATOM 913 N ASN A 63 1.779 22.778 9.037 1.00 0.00 N ATOM 914 CA ASN A 63 1.200 23.685 8.038 1.00 0.00 C ATOM 915 C ASN A 63 0.613 22.909 6.862 1.00 0.00 C ATOM 916 O ASN A 63 -0.195 23.444 6.102 1.00 0.00 O ATOM 917 CB ASN A 63 2.274 24.642 7.524 1.00 0.00 C ATOM 918 CG ASN A 63 2.648 25.642 8.612 1.00 0.00 C ATOM 919 OD1 ASN A 63 1.875 25.868 9.544 1.00 0.00 O ATOM 920 ND2 ASN A 63 3.798 26.253 8.551 1.00 0.00 N ATOM 0 H ASN A 63 2.689 22.393 8.783 1.00 0.00 H new ATOM 0 HA ASN A 63 0.398 24.247 8.518 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.156 24.080 7.217 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.910 25.170 6.643 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.060 26.920 9.276 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.436 26.064 7.778 1.00 0.00 H new ATOM 927 N CYS A 64 1.013 21.644 6.722 1.00 0.00 N ATOM 928 CA CYS A 64 0.508 20.801 5.635 1.00 0.00 C ATOM 929 C CYS A 64 -0.084 19.516 6.198 1.00 0.00 C ATOM 930 O CYS A 64 0.458 18.923 7.131 1.00 0.00 O ATOM 931 CB CYS A 64 1.635 20.438 4.661 1.00 0.00 C ATOM 932 SG CYS A 64 2.199 21.905 3.760 1.00 0.00 S ATOM 0 H CYS A 64 1.679 21.183 7.341 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.261 21.363 5.105 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.469 19.999 5.209 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.284 19.684 3.956 1.00 0.00 H new ATOM 937 N GLN A 65 -1.196 19.086 5.609 1.00 0.00 N ATOM 938 CA GLN A 65 -1.871 17.857 6.028 1.00 0.00 C ATOM 939 C GLN A 65 -1.932 16.875 4.864 1.00 0.00 C ATOM 940 O GLN A 65 -2.199 17.259 3.726 1.00 0.00 O ATOM 941 CB GLN A 65 -3.287 18.171 6.506 1.00 0.00 C ATOM 942 CG GLN A 65 -4.031 18.938 5.415 1.00 0.00 C ATOM 943 CD GLN A 65 -5.420 19.325 5.912 1.00 0.00 C ATOM 944 OE1 GLN A 65 -6.026 18.593 6.697 1.00 0.00 O ATOM 945 NE2 GLN A 65 -5.965 20.438 5.503 1.00 0.00 N ATOM 0 H GLN A 65 -1.652 19.571 4.837 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.308 17.411 6.848 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.816 17.248 6.743 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.251 18.761 7.422 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.471 19.832 5.140 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.113 18.324 4.518 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.463 21.043 4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.893 20.703 5.833 1.00 0.00 H new ATOM 954 N ARG A 66 -1.664 15.609 5.155 1.00 0.00 N ATOM 955 CA ARG A 66 -1.677 14.571 4.127 1.00 0.00 C ATOM 956 C ARG A 66 -3.091 14.041 3.900 1.00 0.00 C ATOM 957 O ARG A 66 -3.865 13.882 4.846 1.00 0.00 O ATOM 958 CB ARG A 66 -0.754 13.426 4.559 1.00 0.00 C ATOM 959 CG ARG A 66 -1.238 12.859 5.897 1.00 0.00 C ATOM 960 CD ARG A 66 -0.311 11.727 6.339 1.00 0.00 C ATOM 961 NE ARG A 66 -0.767 11.183 7.616 1.00 0.00 N ATOM 962 CZ ARG A 66 -1.692 10.229 7.668 1.00 0.00 C ATOM 963 NH1 ARG A 66 -2.212 9.762 6.565 1.00 0.00 N ATOM 964 NH2 ARG A 66 -2.084 9.762 8.823 1.00 0.00 N ATOM 0 H ARG A 66 -1.435 15.274 6.091 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.324 15.001 3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.748 12.643 3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.270 13.786 4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.254 13.645 6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.259 12.490 5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.296 10.941 5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.710 12.097 6.435 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.368 11.542 8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.909 10.129 5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.921 9.030 6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.681 10.129 9.685 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.793 9.030 8.863 1.00 0.00 H new ATOM 978 N ILE A 67 -3.432 13.786 2.632 1.00 0.00 N ATOM 979 CA ILE A 67 -4.769 13.289 2.277 1.00 0.00 C ATOM 980 C ILE A 67 -4.678 11.973 1.504 1.00 0.00 C ATOM 981 O ILE A 67 -3.896 11.848 0.562 1.00 0.00 O ATOM 982 CB ILE A 67 -5.483 14.338 1.431 1.00 0.00 C ATOM 983 CG1 ILE A 67 -5.611 15.632 2.239 1.00 0.00 C ATOM 984 CG2 ILE A 67 -6.878 13.827 1.062 1.00 0.00 C ATOM 985 CD1 ILE A 67 -5.991 16.780 1.305 1.00 0.00 C ATOM 0 H ILE A 67 -2.806 13.914 1.837 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.330 13.104 3.193 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.914 14.529 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.367 15.515 3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.670 15.854 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.391 14.575 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.788 12.901 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.450 13.641 1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.082 17.702 1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.219 16.901 0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.943 16.557 0.823 1.00 0.00 H new ATOM 997 N PHE A 68 -5.470 10.986 1.928 1.00 0.00 N ATOM 998 CA PHE A 68 -5.460 9.666 1.291 1.00 0.00 C ATOM 999 C PHE A 68 -6.458 9.560 0.133 1.00 0.00 C ATOM 1000 O PHE A 68 -7.672 9.640 0.331 1.00 0.00 O ATOM 1001 CB PHE A 68 -5.793 8.601 2.343 1.00 0.00 C ATOM 1002 CG PHE A 68 -5.758 7.228 1.711 1.00 0.00 C ATOM 1003 CD1 PHE A 68 -4.562 6.746 1.160 1.00 0.00 C ATOM 1004 CD2 PHE A 68 -6.913 6.433 1.672 1.00 0.00 C ATOM 1005 CE1 PHE A 68 -4.522 5.480 0.574 1.00 0.00 C ATOM 1006 CE2 PHE A 68 -6.868 5.168 1.085 1.00 0.00 C ATOM 1007 CZ PHE A 68 -5.674 4.690 0.533 1.00 0.00 C ATOM 0 H PHE A 68 -6.124 11.074 2.706 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.464 9.510 0.876 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.078 8.652 3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.779 8.791 2.767 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.671 7.355 1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.836 6.800 2.096 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.599 5.110 0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.757 4.556 1.057 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.643 3.712 0.076 1.00 0.00 H new ATOM 1017 N LYS A 69 -5.923 9.350 -1.076 1.00 0.00 N ATOM 1018 CA LYS A 69 -6.745 9.202 -2.291 1.00 0.00 C ATOM 1019 C LYS A 69 -6.609 7.776 -2.849 1.00 0.00 C ATOM 1020 O LYS A 69 -5.566 7.417 -3.396 1.00 0.00 O ATOM 1021 CB LYS A 69 -6.284 10.217 -3.369 1.00 0.00 C ATOM 1022 CG LYS A 69 -7.247 11.413 -3.460 1.00 0.00 C ATOM 1023 CD LYS A 69 -7.191 12.231 -2.172 1.00 0.00 C ATOM 1024 CE LYS A 69 -8.042 13.491 -2.335 1.00 0.00 C ATOM 1025 NZ LYS A 69 -9.486 13.123 -2.305 1.00 0.00 N ATOM 0 H LYS A 69 -4.919 9.278 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.787 9.393 -2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.281 10.572 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.225 9.720 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.980 12.041 -4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.264 11.059 -3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.557 11.637 -1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.160 12.502 -1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.820 14.199 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.801 13.986 -3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.064 13.987 -2.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.726 12.588 -3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.678 12.537 -1.468 1.00 0.00 H new ATOM 1039 N LYS A 70 -7.666 6.981 -2.722 1.00 0.00 N ATOM 1040 CA LYS A 70 -7.652 5.607 -3.227 1.00 0.00 C ATOM 1041 C LYS A 70 -7.535 5.567 -4.745 1.00 0.00 C ATOM 1042 O LYS A 70 -6.789 4.759 -5.301 1.00 0.00 O ATOM 1043 CB LYS A 70 -8.950 4.904 -2.826 1.00 0.00 C ATOM 1044 CG LYS A 70 -8.933 4.632 -1.329 1.00 0.00 C ATOM 1045 CD LYS A 70 -10.272 4.021 -0.907 1.00 0.00 C ATOM 1046 CE LYS A 70 -10.252 3.694 0.586 1.00 0.00 C ATOM 1047 NZ LYS A 70 -11.563 3.103 0.978 1.00 0.00 N ATOM 0 H LYS A 70 -8.540 7.260 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.786 5.105 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.808 5.524 -3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.055 3.969 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.117 3.953 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.755 5.558 -0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.083 4.717 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.465 3.116 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.445 2.996 0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.059 4.597 1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.553 2.879 1.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.324 3.784 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.728 2.233 0.433 1.00 0.00 H new ATOM 1061 N GLU A 71 -8.320 6.403 -5.409 1.00 0.00 N ATOM 1062 CA GLU A 71 -8.345 6.419 -6.861 1.00 0.00 C ATOM 1063 C GLU A 71 -6.964 6.681 -7.443 1.00 0.00 C ATOM 1064 O GLU A 71 -6.639 6.192 -8.525 1.00 0.00 O ATOM 1065 CB GLU A 71 -9.311 7.499 -7.353 1.00 0.00 C ATOM 1066 CG GLU A 71 -9.541 7.335 -8.857 1.00 0.00 C ATOM 1067 CD GLU A 71 -10.366 6.080 -9.122 1.00 0.00 C ATOM 1068 OE1 GLU A 71 -10.876 5.520 -8.166 1.00 0.00 O ATOM 1069 OE2 GLU A 71 -10.481 5.704 -10.276 1.00 0.00 O ATOM 0 H GLU A 71 -8.945 7.076 -4.966 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.678 5.437 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.259 7.424 -6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.904 8.488 -7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.057 8.210 -9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.584 7.268 -9.375 1.00 0.00 H new ATOM 1076 N ASP A 72 -6.154 7.459 -6.733 1.00 0.00 N ATOM 1077 CA ASP A 72 -4.810 7.783 -7.204 1.00 0.00 C ATOM 1078 C ASP A 72 -3.766 6.978 -6.441 1.00 0.00 C ATOM 1079 O ASP A 72 -2.569 7.124 -6.683 1.00 0.00 O ATOM 1080 CB ASP A 72 -4.548 9.275 -7.003 1.00 0.00 C ATOM 1081 CG ASP A 72 -5.607 10.092 -7.734 1.00 0.00 C ATOM 1082 OD1 ASP A 72 -6.153 9.587 -8.701 1.00 0.00 O ATOM 1083 OD2 ASP A 72 -5.858 11.210 -7.316 1.00 0.00 O ATOM 0 H ASP A 72 -6.401 7.875 -5.835 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.740 7.532 -8.262 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.561 9.515 -5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.557 9.532 -7.376 1.00 0.00 H new ATOM 1088 N CYS A 73 -4.224 6.120 -5.527 1.00 0.00 N ATOM 1089 CA CYS A 73 -3.317 5.289 -4.735 1.00 0.00 C ATOM 1090 C CYS A 73 -2.034 6.042 -4.389 1.00 0.00 C ATOM 1091 O CYS A 73 -0.944 5.665 -4.822 1.00 0.00 O ATOM 1092 CB CYS A 73 -2.980 4.017 -5.510 1.00 0.00 C ATOM 1093 SG CYS A 73 -4.510 3.121 -5.861 1.00 0.00 S ATOM 0 H CYS A 73 -5.213 5.983 -5.318 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.817 5.030 -3.802 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.468 4.267 -6.439 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.301 3.391 -4.930 1.00 0.00 H new ATOM 1098 N LYS A 74 -2.176 7.108 -3.610 1.00 0.00 N ATOM 1099 CA LYS A 74 -1.025 7.909 -3.215 1.00 0.00 C ATOM 1100 C LYS A 74 -1.381 8.871 -2.087 1.00 0.00 C ATOM 1101 O LYS A 74 -2.554 9.121 -1.811 1.00 0.00 O ATOM 1102 CB LYS A 74 -0.489 8.705 -4.414 1.00 0.00 C ATOM 1103 CG LYS A 74 -1.559 9.670 -4.955 1.00 0.00 C ATOM 1104 CD LYS A 74 -0.895 10.698 -5.882 1.00 0.00 C ATOM 1105 CE LYS A 74 -0.250 9.988 -7.073 1.00 0.00 C ATOM 1106 NZ LYS A 74 0.060 10.986 -8.138 1.00 0.00 N ATOM 0 H LYS A 74 -3.069 7.435 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.255 7.225 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.396 9.267 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.180 8.019 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.324 9.115 -5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.058 10.177 -4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.637 11.415 -6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.141 11.262 -5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.662 9.481 -6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.922 9.223 -7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.499 10.504 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.819 11.450 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.716 11.701 -7.764 1.00 0.00 H new ATOM 1120 N TYR A 75 -0.348 9.435 -1.466 1.00 0.00 N ATOM 1121 CA TYR A 75 -0.525 10.414 -0.393 1.00 0.00 C ATOM 1122 C TYR A 75 -0.017 11.765 -0.876 1.00 0.00 C ATOM 1123 O TYR A 75 1.106 11.873 -1.367 1.00 0.00 O ATOM 1124 CB TYR A 75 0.254 9.992 0.861 1.00 0.00 C ATOM 1125 CG TYR A 75 -0.553 9.009 1.675 1.00 0.00 C ATOM 1126 CD1 TYR A 75 -1.494 9.481 2.597 1.00 0.00 C ATOM 1127 CD2 TYR A 75 -0.355 7.634 1.518 1.00 0.00 C ATOM 1128 CE1 TYR A 75 -2.238 8.579 3.363 1.00 0.00 C ATOM 1129 CE2 TYR A 75 -1.099 6.729 2.285 1.00 0.00 C ATOM 1130 CZ TYR A 75 -2.039 7.200 3.209 1.00 0.00 C ATOM 1131 OH TYR A 75 -2.773 6.308 3.962 1.00 0.00 O ATOM 0 H TYR A 75 0.626 9.230 -1.688 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.582 10.476 -0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.204 9.542 0.573 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.487 10.869 1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.646 10.544 2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.371 7.270 0.806 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -2.965 8.944 4.073 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.947 5.667 2.164 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.572 6.039 3.463 1.00 0.00 H new ATOM 1141 N ILE A 76 -0.846 12.790 -0.739 1.00 0.00 N ATOM 1142 CA ILE A 76 -0.484 14.134 -1.169 1.00 0.00 C ATOM 1143 C ILE A 76 -0.648 15.090 -0.002 1.00 0.00 C ATOM 1144 O ILE A 76 -1.644 15.042 0.720 1.00 0.00 O ATOM 1145 CB ILE A 76 -1.381 14.561 -2.342 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -2.834 14.094 -2.086 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -0.849 13.956 -3.655 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -3.048 12.683 -2.650 1.00 0.00 C ATOM 0 H ILE A 76 -1.778 12.716 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 76 0.554 14.150 -1.501 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.370 15.648 -2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.042 14.101 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.534 14.789 -2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.489 14.262 -4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.167 14.308 -3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.848 12.869 -3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.074 12.368 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.860 12.688 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.361 11.989 -2.165 1.00 0.00 H new ATOM 1160 N VAL A 77 0.339 15.957 0.180 1.00 0.00 N ATOM 1161 CA VAL A 77 0.317 16.930 1.265 1.00 0.00 C ATOM 1162 C VAL A 77 0.258 18.336 0.691 1.00 0.00 C ATOM 1163 O VAL A 77 1.066 18.709 -0.159 1.00 0.00 O ATOM 1164 CB VAL A 77 1.575 16.771 2.135 1.00 0.00 C ATOM 1165 CG1 VAL A 77 1.386 15.622 3.131 1.00 0.00 C ATOM 1166 CG2 VAL A 77 2.780 16.466 1.246 1.00 0.00 C ATOM 0 H VAL A 77 1.168 16.007 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.565 16.759 1.883 1.00 0.00 H new ATOM 0 HB VAL A 77 1.743 17.699 2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.283 15.519 3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.532 15.835 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.209 14.694 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.670 16.354 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.602 15.542 0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.929 17.284 0.542 1.00 0.00 H new ATOM 1176 N VAL A 78 -0.711 19.108 1.166 1.00 0.00 N ATOM 1177 CA VAL A 78 -0.893 20.487 0.706 1.00 0.00 C ATOM 1178 C VAL A 78 -1.110 21.416 1.893 1.00 0.00 C ATOM 1179 O VAL A 78 -1.517 20.979 2.968 1.00 0.00 O ATOM 1180 CB VAL A 78 -2.107 20.576 -0.236 1.00 0.00 C ATOM 1181 CG1 VAL A 78 -1.847 19.793 -1.556 1.00 0.00 C ATOM 1182 CG2 VAL A 78 -3.340 19.995 0.475 1.00 0.00 C ATOM 0 H VAL A 78 -1.385 18.807 1.870 1.00 0.00 H new ATOM 0 HA VAL A 78 0.006 20.792 0.170 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.278 21.622 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.720 19.872 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.979 20.214 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.659 18.744 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.204 20.055 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.153 18.953 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.539 20.565 1.383 1.00 0.00 H new ATOM 1192 N GLU A 79 -0.849 22.703 1.688 1.00 0.00 N ATOM 1193 CA GLU A 79 -1.035 23.679 2.750 1.00 0.00 C ATOM 1194 C GLU A 79 -2.451 23.572 3.299 1.00 0.00 C ATOM 1195 O GLU A 79 -3.381 23.226 2.569 1.00 0.00 O ATOM 1196 CB GLU A 79 -0.790 25.086 2.209 1.00 0.00 C ATOM 1197 CG GLU A 79 0.687 25.238 1.837 1.00 0.00 C ATOM 1198 CD GLU A 79 0.927 26.608 1.214 1.00 0.00 C ATOM 1199 OE1 GLU A 79 -0.010 27.387 1.163 1.00 0.00 O ATOM 1200 OE2 GLU A 79 2.047 26.860 0.799 1.00 0.00 O ATOM 0 H GLU A 79 -0.512 23.089 0.806 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.324 23.480 3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.417 25.266 1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.066 25.829 2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.309 25.119 2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.977 24.455 1.137 1.00 0.00 H new ATOM 1207 N LYS A 80 -2.623 23.896 4.575 1.00 0.00 N ATOM 1208 CA LYS A 80 -3.941 23.862 5.192 1.00 0.00 C ATOM 1209 C LYS A 80 -4.771 25.058 4.727 1.00 0.00 C ATOM 1210 O LYS A 80 -5.957 24.926 4.421 1.00 0.00 O ATOM 1211 CB LYS A 80 -3.768 23.884 6.707 1.00 0.00 C ATOM 1212 CG LYS A 80 -3.141 22.561 7.156 1.00 0.00 C ATOM 1213 CD LYS A 80 -2.799 22.642 8.639 1.00 0.00 C ATOM 1214 CE LYS A 80 -2.176 21.322 9.103 1.00 0.00 C ATOM 1215 NZ LYS A 80 -1.836 21.415 10.554 1.00 0.00 N ATOM 0 H LYS A 80 -1.869 24.184 5.199 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.468 22.954 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.134 24.720 7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.732 24.028 7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.832 21.738 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.242 22.356 6.575 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.105 23.464 8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.698 22.853 9.218 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.871 20.500 8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.280 21.106 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.292 20.575 10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.267 22.269 10.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.711 21.466 11.113 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.128 26.225 4.680 1.00 0.00 N ATOM 1230 CA LYS A 81 -4.796 27.451 4.249 1.00 0.00 C ATOM 1231 C LYS A 81 -5.194 27.357 2.781 1.00 0.00 C ATOM 1232 O LYS A 81 -6.291 27.760 2.400 1.00 0.00 O ATOM 1233 CB LYS A 81 -3.871 28.653 4.452 1.00 0.00 C ATOM 1234 CG LYS A 81 -3.656 28.890 5.950 1.00 0.00 C ATOM 1235 CD LYS A 81 -2.720 30.086 6.152 1.00 0.00 C ATOM 1236 CE LYS A 81 -2.525 30.338 7.649 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.603 31.492 7.845 1.00 0.00 N ATOM 0 H LYS A 81 -3.148 26.346 4.935 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.695 27.580 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.914 28.475 3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.305 29.541 3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.612 29.077 6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.230 28.000 6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.758 29.892 5.677 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.138 30.973 5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.486 30.542 8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.117 29.448 8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.471 31.662 8.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.684 31.280 7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.010 32.340 7.402 1.00 0.00 H new ATOM 1251 N ASP A 82 -4.288 26.827 1.959 1.00 0.00 N ATOM 1252 CA ASP A 82 -4.540 26.683 0.521 1.00 0.00 C ATOM 1253 C ASP A 82 -4.258 25.243 0.078 1.00 0.00 C ATOM 1254 O ASP A 82 -3.157 24.944 -0.387 1.00 0.00 O ATOM 1255 CB ASP A 82 -3.628 27.643 -0.252 1.00 0.00 C ATOM 1256 CG ASP A 82 -3.840 29.077 0.229 1.00 0.00 C ATOM 1257 OD1 ASP A 82 -4.773 29.706 -0.241 1.00 0.00 O ATOM 1258 OD2 ASP A 82 -3.064 29.525 1.058 1.00 0.00 O ATOM 0 H ASP A 82 -3.374 26.490 2.261 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.584 26.919 0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.586 27.356 -0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.838 27.575 -1.319 1.00 0.00 H new ATOM 1263 N PRO A 83 -5.213 24.351 0.219 1.00 0.00 N ATOM 1264 CA PRO A 83 -5.039 22.915 -0.170 1.00 0.00 C ATOM 1265 C PRO A 83 -4.738 22.743 -1.660 1.00 0.00 C ATOM 1266 O PRO A 83 -4.278 21.684 -2.088 1.00 0.00 O ATOM 1267 CB PRO A 83 -6.381 22.256 0.211 1.00 0.00 C ATOM 1268 CG PRO A 83 -7.007 23.194 1.192 1.00 0.00 C ATOM 1269 CD PRO A 83 -6.558 24.590 0.770 1.00 0.00 C ATOM 0 HA PRO A 83 -4.186 22.462 0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.016 22.119 -0.664 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.226 21.271 0.650 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.094 23.110 1.176 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -6.685 22.970 2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.228 25.022 0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.532 25.279 1.615 1.00 0.00 H new ATOM 1277 N LYS A 84 -4.995 23.783 -2.446 1.00 0.00 N ATOM 1278 CA LYS A 84 -4.737 23.719 -3.880 1.00 0.00 C ATOM 1279 C LYS A 84 -3.244 23.567 -4.154 1.00 0.00 C ATOM 1280 O LYS A 84 -2.835 22.796 -5.022 1.00 0.00 O ATOM 1281 CB LYS A 84 -5.258 24.984 -4.564 1.00 0.00 C ATOM 1282 CG LYS A 84 -6.791 24.986 -4.549 1.00 0.00 C ATOM 1283 CD LYS A 84 -7.312 26.309 -5.127 1.00 0.00 C ATOM 1284 CE LYS A 84 -7.185 26.303 -6.656 1.00 0.00 C ATOM 1285 NZ LYS A 84 -7.957 27.441 -7.222 1.00 0.00 N ATOM 0 H LYS A 84 -5.377 24.671 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.257 22.849 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.879 25.868 -4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.895 25.030 -5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.171 24.148 -5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.155 24.855 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.354 26.454 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.748 27.144 -4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.137 26.381 -6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.557 25.361 -7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.871 27.437 -8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.958 27.347 -6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.582 28.336 -6.847 1.00 0.00 H new ATOM 1299 N LYS A 85 -2.435 24.319 -3.415 1.00 0.00 N ATOM 1300 CA LYS A 85 -0.982 24.280 -3.583 1.00 0.00 C ATOM 1301 C LYS A 85 -0.366 23.153 -2.773 1.00 0.00 C ATOM 1302 O LYS A 85 -0.738 22.927 -1.624 1.00 0.00 O ATOM 1303 CB LYS A 85 -0.386 25.615 -3.131 1.00 0.00 C ATOM 1304 CG LYS A 85 -0.804 26.731 -4.108 1.00 0.00 C ATOM 1305 CD LYS A 85 0.183 26.793 -5.279 1.00 0.00 C ATOM 1306 CE LYS A 85 -0.367 27.708 -6.365 1.00 0.00 C ATOM 1307 NZ LYS A 85 -0.459 29.101 -5.847 1.00 0.00 N ATOM 0 H LYS A 85 -2.758 24.963 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.761 24.105 -4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.728 25.854 -2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.701 25.543 -3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.811 26.543 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.829 27.690 -3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.149 27.162 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.348 25.794 -5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.280 27.678 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.351 27.362 -6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.621 29.756 -6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.249 29.170 -5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.428 29.352 -5.366 1.00 0.00 H new ATOM 1321 N THR A 86 0.587 22.448 -3.379 1.00 0.00 N ATOM 1322 CA THR A 86 1.256 21.339 -2.705 1.00 0.00 C ATOM 1323 C THR A 86 2.432 21.840 -1.870 1.00 0.00 C ATOM 1324 O THR A 86 2.907 22.960 -2.058 1.00 0.00 O ATOM 1325 CB THR A 86 1.748 20.329 -3.742 1.00 0.00 C ATOM 1326 OG1 THR A 86 2.742 20.933 -4.557 1.00 0.00 O ATOM 1327 CG2 THR A 86 0.574 19.878 -4.614 1.00 0.00 C ATOM 0 H THR A 86 0.911 22.624 -4.330 1.00 0.00 H new ATOM 0 HA THR A 86 0.542 20.858 -2.037 1.00 0.00 H new ATOM 0 HB THR A 86 2.173 19.464 -3.233 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.059 20.285 -5.221 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.925 19.158 -5.353 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.187 19.413 -3.987 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.146 20.742 -5.123 1.00 0.00 H new ATOM 1335 N CYS A 87 2.902 20.995 -0.947 1.00 0.00 N ATOM 1336 CA CYS A 87 4.033 21.348 -0.079 1.00 0.00 C ATOM 1337 C CYS A 87 5.322 20.714 -0.612 1.00 0.00 C ATOM 1338 O CYS A 87 5.278 19.689 -1.291 1.00 0.00 O ATOM 1339 CB CYS A 87 3.758 20.862 1.348 1.00 0.00 C ATOM 1340 SG CYS A 87 2.076 21.351 1.819 1.00 0.00 S ATOM 0 H CYS A 87 2.519 20.064 -0.781 1.00 0.00 H new ATOM 0 HA CYS A 87 4.154 22.431 -0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.866 19.779 1.405 1.00 0.00 H new ATOM 0 HB3 CYS A 87 4.483 21.291 2.039 1.00 0.00 H new ATOM 1345 N SER A 88 6.464 21.340 -0.323 1.00 0.00 N ATOM 1346 CA SER A 88 7.751 20.824 -0.804 1.00 0.00 C ATOM 1347 C SER A 88 8.261 19.669 0.058 1.00 0.00 C ATOM 1348 O SER A 88 9.109 19.851 0.931 1.00 0.00 O ATOM 1349 CB SER A 88 8.786 21.942 -0.811 1.00 0.00 C ATOM 1350 OG SER A 88 9.875 21.570 -1.651 1.00 0.00 O ATOM 0 H SER A 88 6.527 22.193 0.233 1.00 0.00 H new ATOM 0 HA SER A 88 7.596 20.448 -1.815 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.336 22.868 -1.169 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.141 22.131 0.202 1.00 0.00 H new ATOM 0 HG SER A 88 10.542 22.288 -1.659 1.00 0.00 H new ATOM 1356 N VAL A 89 7.735 18.485 -0.207 1.00 0.00 N ATOM 1357 CA VAL A 89 8.132 17.288 0.539 1.00 0.00 C ATOM 1358 C VAL A 89 9.602 16.970 0.277 1.00 0.00 C ATOM 1359 O VAL A 89 10.035 16.912 -0.874 1.00 0.00 O ATOM 1360 CB VAL A 89 7.255 16.101 0.112 1.00 0.00 C ATOM 1361 CG1 VAL A 89 7.468 14.916 1.065 1.00 0.00 C ATOM 1362 CG2 VAL A 89 5.783 16.530 0.139 1.00 0.00 C ATOM 0 H VAL A 89 7.034 18.320 -0.929 1.00 0.00 H new ATOM 0 HA VAL A 89 7.997 17.470 1.605 1.00 0.00 H new ATOM 0 HB VAL A 89 7.531 15.792 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.841 14.081 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.515 14.613 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.199 15.212 2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.154 15.692 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.513 16.841 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.634 17.362 -0.549 1.00 0.00 H new ATOM 1372 N SER A 90 10.368 16.770 1.349 1.00 0.00 N ATOM 1373 CA SER A 90 11.787 16.467 1.218 1.00 0.00 C ATOM 1374 C SER A 90 11.998 15.160 0.465 1.00 0.00 C ATOM 1375 O SER A 90 12.954 15.018 -0.297 1.00 0.00 O ATOM 1376 CB SER A 90 12.434 16.358 2.604 1.00 0.00 C ATOM 1377 OG SER A 90 13.826 16.627 2.496 1.00 0.00 O ATOM 0 H SER A 90 10.030 16.813 2.310 1.00 0.00 H new ATOM 0 HA SER A 90 12.252 17.278 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.968 17.064 3.292 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.276 15.361 3.014 1.00 0.00 H new ATOM 0 HG SER A 90 14.242 16.560 3.381 1.00 0.00 H new ATOM 1383 N GLU A 91 11.097 14.209 0.692 1.00 0.00 N ATOM 1384 CA GLU A 91 11.204 12.913 0.034 1.00 0.00 C ATOM 1385 C GLU A 91 9.966 12.055 0.284 1.00 0.00 C ATOM 1386 O GLU A 91 9.101 12.404 1.088 1.00 0.00 O ATOM 1387 CB GLU A 91 12.453 12.186 0.544 1.00 0.00 C ATOM 1388 CG GLU A 91 12.255 11.774 2.006 1.00 0.00 C ATOM 1389 CD GLU A 91 13.571 11.267 2.585 1.00 0.00 C ATOM 1390 OE1 GLU A 91 14.347 10.700 1.835 1.00 0.00 O ATOM 1391 OE2 GLU A 91 13.786 11.459 3.771 1.00 0.00 O ATOM 0 H GLU A 91 10.297 14.309 1.317 1.00 0.00 H new ATOM 0 HA GLU A 91 11.282 13.080 -1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.647 11.305 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 91 13.324 12.835 0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.895 12.623 2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.494 10.996 2.074 1.00 0.00 H new ATOM 1398 N TRP A 92 9.898 10.923 -0.416 1.00 0.00 N ATOM 1399 CA TRP A 92 8.779 9.985 -0.286 1.00 0.00 C ATOM 1400 C TRP A 92 9.308 8.573 -0.022 1.00 0.00 C ATOM 1401 O TRP A 92 10.396 8.216 -0.475 1.00 0.00 O ATOM 1402 CB TRP A 92 7.955 9.977 -1.575 1.00 0.00 C ATOM 1403 CG TRP A 92 7.325 11.316 -1.780 1.00 0.00 C ATOM 1404 CD1 TRP A 92 7.912 12.370 -2.392 1.00 0.00 C ATOM 1405 CD2 TRP A 92 5.993 11.755 -1.393 1.00 0.00 C ATOM 1406 NE1 TRP A 92 7.025 13.433 -2.397 1.00 0.00 N ATOM 1407 CE2 TRP A 92 5.829 13.101 -1.792 1.00 0.00 C ATOM 1408 CE3 TRP A 92 4.926 11.120 -0.735 1.00 0.00 C ATOM 1409 CZ2 TRP A 92 4.642 13.793 -1.552 1.00 0.00 C ATOM 1410 CZ3 TRP A 92 3.733 11.813 -0.490 1.00 0.00 C ATOM 1411 CH2 TRP A 92 3.590 13.146 -0.896 1.00 0.00 C ATOM 0 H TRP A 92 10.610 10.630 -1.085 1.00 0.00 H new ATOM 0 HA TRP A 92 8.152 10.301 0.548 1.00 0.00 H new ATOM 0 HB2 TRP A 92 8.593 9.731 -2.424 1.00 0.00 H new ATOM 0 HB3 TRP A 92 7.185 9.207 -1.521 1.00 0.00 H new ATOM 0 HD1 TRP A 92 8.909 12.381 -2.808 1.00 0.00 H new ATOM 0 HE1 TRP A 92 7.230 14.348 -2.798 1.00 0.00 H new ATOM 0 HE3 TRP A 92 5.026 10.093 -0.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 4.536 14.820 -1.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 2.918 11.316 0.015 1.00 0.00 H new ATOM 0 HH2 TRP A 92 2.668 13.674 -0.703 1.00 0.00 H new ATOM 1422 N ILE A 93 8.532 7.770 0.708 1.00 0.00 N ATOM 1423 CA ILE A 93 8.937 6.392 1.018 1.00 0.00 C ATOM 1424 C ILE A 93 8.268 5.419 0.057 1.00 0.00 C ATOM 1425 O ILE A 93 7.050 5.433 -0.101 1.00 0.00 O ATOM 1426 CB ILE A 93 8.538 6.030 2.450 1.00 0.00 C ATOM 1427 CG1 ILE A 93 8.937 7.169 3.394 1.00 0.00 C ATOM 1428 CG2 ILE A 93 9.244 4.738 2.879 1.00 0.00 C ATOM 1429 CD1 ILE A 93 10.418 7.506 3.209 1.00 0.00 C ATOM 0 H ILE A 93 7.628 8.043 1.094 1.00 0.00 H new ATOM 0 HA ILE A 93 10.020 6.323 0.914 1.00 0.00 H new ATOM 0 HB ILE A 93 7.459 5.879 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.327 8.050 3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.748 6.879 4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.955 4.487 3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.956 3.927 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.324 4.881 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.694 8.317 3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.022 6.627 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.595 7.815 2.179 1.00 0.00 H new ATOM 1441 N ILE A 94 9.072 4.576 -0.582 1.00 0.00 N ATOM 1442 CA ILE A 94 8.541 3.601 -1.528 1.00 0.00 C ATOM 1443 C ILE A 94 9.644 2.645 -1.978 1.00 0.00 C ATOM 1444 O ILE A 94 9.331 1.496 -2.247 1.00 0.00 O ATOM 1445 CB ILE A 94 7.958 4.330 -2.743 1.00 0.00 C ATOM 1446 CG1 ILE A 94 7.272 3.329 -3.687 1.00 0.00 C ATOM 1447 CG2 ILE A 94 9.082 5.046 -3.493 1.00 0.00 C ATOM 1448 CD1 ILE A 94 6.070 2.671 -2.994 1.00 0.00 C ATOM 1449 OXT ILE A 94 10.782 3.076 -2.047 1.00 0.00 O ATOM 0 H ILE A 94 10.085 4.547 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 94 7.756 3.024 -1.039 1.00 0.00 H new ATOM 0 HB ILE A 94 7.221 5.056 -2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.942 3.841 -4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 94 7.985 2.564 -3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.669 5.565 -4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.559 5.768 -2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.820 4.316 -3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 94 5.597 1.966 -3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.408 2.142 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.350 3.438 -2.709 1.00 0.00 H new