USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 755 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 92 GLN :FLIP amide:sc= 0.0947 F(o=-0.32,f=0.2) USER MOD Set 1.2: A 112 SER OG : rot 30:sc= 0.102 USER MOD Set 2.1: A 53 GLN : amide:sc= 0.959 K(o=1.6,f=0.49) USER MOD Set 2.2: A 85 TYR OH : rot -18:sc= 1.61 USER MOD Set 2.3: A 93 GLN : amide:sc= -0.986! K(o=1.6!,f=0.49) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -162:sc= -0.0933 (180deg=-0.511) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -130:sc= -2.51! USER MOD Single : A 35 GLN : amide:sc= -0.0195 K(o=-0.019,f=-0.85) USER MOD Single : A 37 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 45 THR OG1 : rot 27:sc= 0.03 USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0255) USER MOD Single : A 47 TYR OH : rot -152:sc= 2.07 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -146:sc= -0.168 (180deg=-1.41) USER MOD Single : A 63 SER OG : rot 60:sc= 0.342 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.4) USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -38:sc= 0.299 USER MOD Single : A 89 SER OG : rot 180:sc= 0.146 USER MOD Single : A 90 THR OG1 : rot -38:sc= 0.676 USER MOD Single : A 94 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 170:sc= -0.078 USER MOD Single : A 105 GLN :FLIP amide:sc= -0.0261 F(o=-1.1!,f=-0.026) USER MOD Single : A 107 GLN : amide:sc=-0.00886 X(o=-0.0089,f=-0.0089) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 185 N PHE A 13 -6.010 -12.005 10.860 1.00 0.00 N ATOM 186 CA PHE A 13 -6.712 -10.844 10.337 1.00 0.00 C ATOM 187 C PHE A 13 -6.710 -10.879 8.814 1.00 0.00 C ATOM 188 O PHE A 13 -5.699 -11.205 8.193 1.00 0.00 O ATOM 189 CB PHE A 13 -6.083 -9.546 10.846 1.00 0.00 C ATOM 190 CG PHE A 13 -6.182 -9.371 12.335 1.00 0.00 C ATOM 191 CD1 PHE A 13 -7.395 -9.526 12.982 1.00 0.00 C ATOM 192 CD2 PHE A 13 -5.063 -9.042 13.083 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.492 -9.359 14.350 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.154 -8.874 14.452 1.00 0.00 C ATOM 195 CZ PHE A 13 -6.370 -9.033 15.087 1.00 0.00 C ATOM 0 HA PHE A 13 -7.743 -10.875 10.691 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.033 -9.523 10.555 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.568 -8.701 10.357 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.276 -9.780 12.411 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.110 -8.916 12.591 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -8.445 -9.483 14.843 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.275 -8.619 15.025 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.444 -8.903 16.157 1.00 0.00 H new ATOM 205 N SER A 14 -7.840 -10.539 8.219 1.00 0.00 N ATOM 206 CA SER A 14 -7.990 -10.617 6.775 1.00 0.00 C ATOM 207 C SER A 14 -7.739 -9.260 6.132 1.00 0.00 C ATOM 208 O SER A 14 -8.508 -8.327 6.338 1.00 0.00 O ATOM 209 CB SER A 14 -9.401 -11.084 6.428 1.00 0.00 C ATOM 210 OG SER A 14 -9.828 -12.120 7.297 1.00 0.00 O ATOM 0 H SER A 14 -8.668 -10.206 8.713 1.00 0.00 H new ATOM 0 HA SER A 14 -7.259 -11.329 6.392 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.091 -10.243 6.494 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.426 -11.437 5.397 1.00 0.00 H new ATOM 0 HG SER A 14 -10.735 -12.399 7.053 1.00 0.00 H new ATOM 216 N ILE A 15 -6.664 -9.147 5.367 1.00 0.00 N ATOM 217 CA ILE A 15 -6.388 -7.919 4.641 1.00 0.00 C ATOM 218 C ILE A 15 -6.607 -8.139 3.153 1.00 0.00 C ATOM 219 O ILE A 15 -5.855 -8.868 2.503 1.00 0.00 O ATOM 220 CB ILE A 15 -4.953 -7.405 4.886 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.737 -7.134 6.379 1.00 0.00 C ATOM 222 CG2 ILE A 15 -4.689 -6.142 4.073 1.00 0.00 C ATOM 223 CD1 ILE A 15 -3.366 -6.583 6.712 1.00 0.00 C ATOM 0 H ILE A 15 -5.973 -9.886 5.234 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.076 -7.160 5.012 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.250 -8.173 4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.494 -6.429 6.723 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.889 -8.061 6.932 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.673 -5.795 4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.809 -6.361 3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.396 -5.366 4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.291 -6.418 7.787 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.602 -7.295 6.400 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.216 -5.639 6.189 1.00 0.00 H new ATOM 235 N GLU A 16 -7.653 -7.532 2.623 1.00 0.00 N ATOM 236 CA GLU A 16 -7.983 -7.681 1.218 1.00 0.00 C ATOM 237 C GLU A 16 -7.749 -6.374 0.477 1.00 0.00 C ATOM 238 O GLU A 16 -7.819 -5.293 1.067 1.00 0.00 O ATOM 239 CB GLU A 16 -9.432 -8.141 1.052 1.00 0.00 C ATOM 240 CG GLU A 16 -9.566 -9.474 0.329 1.00 0.00 C ATOM 241 CD GLU A 16 -9.111 -9.405 -1.116 1.00 0.00 C ATOM 242 OE1 GLU A 16 -7.896 -9.257 -1.355 1.00 0.00 O ATOM 243 OE2 GLU A 16 -9.968 -9.504 -2.021 1.00 0.00 O ATOM 0 H GLU A 16 -8.289 -6.930 3.146 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.331 -8.442 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.894 -8.222 2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.986 -7.381 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.980 -10.228 0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.606 -9.798 0.363 1.00 0.00 H new ATOM 250 N THR A 17 -7.469 -6.485 -0.810 1.00 0.00 N ATOM 251 CA THR A 17 -7.171 -5.326 -1.629 1.00 0.00 C ATOM 252 C THR A 17 -8.171 -5.183 -2.763 1.00 0.00 C ATOM 253 O THR A 17 -8.583 -6.176 -3.367 1.00 0.00 O ATOM 254 CB THR A 17 -5.747 -5.417 -2.211 1.00 0.00 C ATOM 255 OG1 THR A 17 -5.545 -6.703 -2.819 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.708 -5.190 -1.125 1.00 0.00 C ATOM 0 H THR A 17 -7.442 -7.373 -1.312 1.00 0.00 H new ATOM 0 HA THR A 17 -7.240 -4.448 -0.986 1.00 0.00 H new ATOM 0 HB THR A 17 -5.634 -4.640 -2.968 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.638 -6.752 -3.188 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.709 -5.258 -1.557 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.848 -4.201 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.821 -5.948 -0.350 1.00 0.00 H new ATOM 264 N MET A 18 -8.580 -3.953 -3.031 1.00 0.00 N ATOM 265 CA MET A 18 -9.420 -3.670 -4.181 1.00 0.00 C ATOM 266 C MET A 18 -8.566 -3.712 -5.445 1.00 0.00 C ATOM 267 O MET A 18 -7.533 -3.045 -5.520 1.00 0.00 O ATOM 268 CB MET A 18 -10.107 -2.309 -4.017 1.00 0.00 C ATOM 269 CG MET A 18 -11.029 -2.246 -2.808 1.00 0.00 C ATOM 270 SD MET A 18 -12.442 -3.356 -2.936 1.00 0.00 S ATOM 271 CE MET A 18 -13.326 -2.615 -4.304 1.00 0.00 C ATOM 0 H MET A 18 -8.344 -3.136 -2.468 1.00 0.00 H new ATOM 0 HA MET A 18 -10.203 -4.424 -4.261 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.346 -1.534 -3.927 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.682 -2.088 -4.916 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.460 -2.494 -1.912 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.388 -1.224 -2.685 1.00 0.00 H new ATOM 0 HE1 MET A 18 -14.356 -2.972 -4.307 1.00 0.00 H new ATOM 0 HE2 MET A 18 -13.318 -1.530 -4.198 1.00 0.00 H new ATOM 0 HE3 MET A 18 -12.843 -2.891 -5.241 1.00 0.00 H new ATOM 281 N PRO A 19 -8.980 -4.523 -6.435 1.00 0.00 N ATOM 282 CA PRO A 19 -8.189 -4.810 -7.645 1.00 0.00 C ATOM 283 C PRO A 19 -7.610 -3.566 -8.316 1.00 0.00 C ATOM 284 O PRO A 19 -8.330 -2.614 -8.630 1.00 0.00 O ATOM 285 CB PRO A 19 -9.198 -5.489 -8.570 1.00 0.00 C ATOM 286 CG PRO A 19 -10.167 -6.141 -7.646 1.00 0.00 C ATOM 287 CD PRO A 19 -10.275 -5.231 -6.452 1.00 0.00 C ATOM 0 HA PRO A 19 -7.314 -5.414 -7.406 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.692 -4.765 -9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.714 -6.219 -9.218 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.137 -6.272 -8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.820 -7.132 -7.352 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.110 -4.537 -6.551 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.436 -5.794 -5.533 1.00 0.00 H new ATOM 295 N VAL A 20 -6.300 -3.591 -8.531 1.00 0.00 N ATOM 296 CA VAL A 20 -5.604 -2.495 -9.188 1.00 0.00 C ATOM 297 C VAL A 20 -5.650 -2.673 -10.704 1.00 0.00 C ATOM 298 O VAL A 20 -5.864 -3.784 -11.194 1.00 0.00 O ATOM 299 CB VAL A 20 -4.132 -2.402 -8.717 1.00 0.00 C ATOM 300 CG1 VAL A 20 -4.062 -2.177 -7.214 1.00 0.00 C ATOM 301 CG2 VAL A 20 -3.346 -3.648 -9.103 1.00 0.00 C ATOM 0 H VAL A 20 -5.696 -4.366 -8.257 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.110 -1.568 -8.917 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.678 -1.548 -9.220 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.019 -2.115 -6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.572 -1.248 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.545 -3.008 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.317 -3.550 -8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.802 -4.524 -8.641 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.356 -3.763 -10.187 1.00 0.00 H new ATOM 311 N PRO A 21 -5.459 -1.587 -11.469 1.00 0.00 N ATOM 312 CA PRO A 21 -5.509 -1.641 -12.931 1.00 0.00 C ATOM 313 C PRO A 21 -4.337 -2.424 -13.515 1.00 0.00 C ATOM 314 O PRO A 21 -3.236 -2.411 -12.965 1.00 0.00 O ATOM 315 CB PRO A 21 -5.434 -0.172 -13.373 1.00 0.00 C ATOM 316 CG PRO A 21 -5.513 0.654 -12.130 1.00 0.00 C ATOM 317 CD PRO A 21 -5.162 -0.238 -10.976 1.00 0.00 C ATOM 0 HA PRO A 21 -6.409 -2.149 -13.278 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.506 0.024 -13.910 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.252 0.070 -14.052 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.826 1.498 -12.186 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.514 1.066 -12.006 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.113 -0.137 -10.697 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.752 0.003 -10.091 1.00 0.00 H new ATOM 325 N LYS A 22 -4.579 -3.105 -14.627 1.00 0.00 N ATOM 326 CA LYS A 22 -3.532 -3.867 -15.293 1.00 0.00 C ATOM 327 C LYS A 22 -2.731 -2.956 -16.211 1.00 0.00 C ATOM 328 O LYS A 22 -1.562 -3.210 -16.494 1.00 0.00 O ATOM 329 CB LYS A 22 -4.110 -5.035 -16.100 1.00 0.00 C ATOM 330 CG LYS A 22 -4.653 -6.180 -15.252 1.00 0.00 C ATOM 331 CD LYS A 22 -6.010 -5.859 -14.648 1.00 0.00 C ATOM 332 CE LYS A 22 -6.537 -7.023 -13.829 1.00 0.00 C ATOM 333 NZ LYS A 22 -7.933 -6.798 -13.375 1.00 0.00 N ATOM 0 H LYS A 22 -5.489 -3.145 -15.086 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.880 -4.279 -14.523 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.911 -4.659 -16.737 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.334 -5.424 -16.760 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.734 -7.077 -15.866 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.946 -6.404 -14.453 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.930 -4.974 -14.017 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.717 -5.621 -15.442 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.492 -7.935 -14.425 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.894 -7.177 -12.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.254 -7.617 -12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.973 -5.942 -12.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.552 -6.677 -14.202 1.00 0.00 H new ATOM 347 N LYS A 23 -3.374 -1.900 -16.688 1.00 0.00 N ATOM 348 CA LYS A 23 -2.697 -0.909 -17.502 1.00 0.00 C ATOM 349 C LYS A 23 -2.485 0.371 -16.706 1.00 0.00 C ATOM 350 O LYS A 23 -3.437 0.958 -16.187 1.00 0.00 O ATOM 351 CB LYS A 23 -3.487 -0.610 -18.783 1.00 0.00 C ATOM 352 CG LYS A 23 -4.916 -0.135 -18.542 1.00 0.00 C ATOM 353 CD LYS A 23 -5.527 0.445 -19.806 1.00 0.00 C ATOM 354 CE LYS A 23 -4.792 1.700 -20.244 1.00 0.00 C ATOM 355 NZ LYS A 23 -5.247 2.178 -21.573 1.00 0.00 N ATOM 0 H LYS A 23 -4.363 -1.710 -16.524 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.727 -1.315 -17.789 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.955 0.151 -19.355 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.514 -1.510 -19.398 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.524 -0.969 -18.191 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.923 0.618 -17.754 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.493 -0.297 -20.604 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.578 0.677 -19.632 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.945 2.486 -19.505 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.721 1.499 -20.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.719 3.036 -21.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.078 1.439 -22.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.263 2.395 -21.535 1.00 0.00 H new ATOM 369 N LEU A 24 -1.239 0.792 -16.592 1.00 0.00 N ATOM 370 CA LEU A 24 -0.925 2.009 -15.865 1.00 0.00 C ATOM 371 C LEU A 24 -0.308 3.053 -16.779 1.00 0.00 C ATOM 372 O LEU A 24 0.828 2.919 -17.240 1.00 0.00 O ATOM 373 CB LEU A 24 -0.018 1.717 -14.668 1.00 0.00 C ATOM 374 CG LEU A 24 -0.714 1.010 -13.503 1.00 0.00 C ATOM 375 CD1 LEU A 24 0.264 0.743 -12.377 1.00 0.00 C ATOM 376 CD2 LEU A 24 -1.880 1.846 -12.996 1.00 0.00 C ATOM 0 H LEU A 24 -0.432 0.313 -16.991 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.860 2.417 -15.482 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.818 1.102 -15.003 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.401 2.657 -14.308 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.096 0.055 -13.863 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.252 0.240 -11.559 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.073 0.109 -12.740 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.675 1.687 -12.020 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.365 1.330 -12.167 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.513 2.814 -12.655 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.599 1.994 -13.802 1.00 0.00 H new ATOM 388 N LYS A 25 -1.104 4.069 -17.062 1.00 0.00 N ATOM 389 CA LYS A 25 -0.687 5.210 -17.864 1.00 0.00 C ATOM 390 C LYS A 25 0.353 6.045 -17.113 1.00 0.00 C ATOM 391 O LYS A 25 0.354 6.096 -15.883 1.00 0.00 O ATOM 392 CB LYS A 25 -1.930 6.062 -18.181 1.00 0.00 C ATOM 393 CG LYS A 25 -1.641 7.446 -18.744 1.00 0.00 C ATOM 394 CD LYS A 25 -1.076 7.385 -20.149 1.00 0.00 C ATOM 395 CE LYS A 25 -0.788 8.777 -20.681 1.00 0.00 C ATOM 396 NZ LYS A 25 -0.244 8.740 -22.061 1.00 0.00 N ATOM 0 H LYS A 25 -2.070 4.127 -16.739 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.228 4.861 -18.789 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.550 5.519 -18.894 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.516 6.174 -17.269 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.559 8.034 -18.748 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.936 7.962 -18.092 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.160 6.794 -20.151 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.783 6.879 -20.807 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.704 9.368 -20.668 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.077 9.277 -20.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.061 9.710 -22.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.644 8.198 -22.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.933 8.286 -22.694 1.00 0.00 H new ATOM 410 N VAL A 26 1.257 6.672 -17.851 1.00 0.00 N ATOM 411 CA VAL A 26 2.169 7.635 -17.258 1.00 0.00 C ATOM 412 C VAL A 26 1.372 8.831 -16.743 1.00 0.00 C ATOM 413 O VAL A 26 0.794 9.587 -17.523 1.00 0.00 O ATOM 414 CB VAL A 26 3.229 8.112 -18.271 1.00 0.00 C ATOM 415 CG1 VAL A 26 4.174 9.123 -17.635 1.00 0.00 C ATOM 416 CG2 VAL A 26 4.008 6.929 -18.830 1.00 0.00 C ATOM 0 H VAL A 26 1.377 6.532 -18.854 1.00 0.00 H new ATOM 0 HA VAL A 26 2.692 7.149 -16.435 1.00 0.00 H new ATOM 0 HB VAL A 26 2.711 8.604 -19.095 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.912 9.444 -18.370 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.605 9.987 -17.291 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.682 8.663 -16.788 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.751 7.287 -19.543 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.509 6.406 -18.016 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.322 6.247 -19.332 1.00 0.00 H new ATOM 426 N GLY A 27 1.328 8.981 -15.428 1.00 0.00 N ATOM 427 CA GLY A 27 0.503 10.007 -14.822 1.00 0.00 C ATOM 428 C GLY A 27 -0.774 9.423 -14.238 1.00 0.00 C ATOM 429 O GLY A 27 -1.641 10.151 -13.752 1.00 0.00 O ATOM 0 H GLY A 27 1.851 8.408 -14.766 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.066 10.511 -14.037 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.252 10.761 -15.568 1.00 0.00 H new ATOM 433 N GLU A 28 -0.886 8.102 -14.296 1.00 0.00 N ATOM 434 CA GLU A 28 -2.047 7.404 -13.761 1.00 0.00 C ATOM 435 C GLU A 28 -1.903 7.202 -12.258 1.00 0.00 C ATOM 436 O GLU A 28 -0.787 7.105 -11.737 1.00 0.00 O ATOM 437 CB GLU A 28 -2.221 6.050 -14.453 1.00 0.00 C ATOM 438 CG GLU A 28 -3.490 5.314 -14.063 1.00 0.00 C ATOM 439 CD GLU A 28 -4.740 6.082 -14.435 1.00 0.00 C ATOM 440 OE1 GLU A 28 -5.130 6.991 -13.671 1.00 0.00 O ATOM 441 OE2 GLU A 28 -5.325 5.785 -15.496 1.00 0.00 O ATOM 0 H GLU A 28 -0.183 7.490 -14.710 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.930 8.015 -13.951 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.219 6.203 -15.532 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.362 5.421 -14.219 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.507 4.340 -14.552 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.485 5.132 -12.988 1.00 0.00 H new ATOM 448 N THR A 29 -3.031 7.143 -11.569 1.00 0.00 N ATOM 449 CA THR A 29 -3.036 6.924 -10.138 1.00 0.00 C ATOM 450 C THR A 29 -3.690 5.585 -9.805 1.00 0.00 C ATOM 451 O THR A 29 -4.892 5.401 -9.990 1.00 0.00 O ATOM 452 CB THR A 29 -3.771 8.062 -9.405 1.00 0.00 C ATOM 453 OG1 THR A 29 -3.243 9.328 -9.830 1.00 0.00 O ATOM 454 CG2 THR A 29 -3.622 7.925 -7.894 1.00 0.00 C ATOM 0 H THR A 29 -3.958 7.245 -11.983 1.00 0.00 H new ATOM 0 HA THR A 29 -2.000 6.909 -9.800 1.00 0.00 H new ATOM 0 HB THR A 29 -4.831 8.002 -9.652 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.713 10.051 -9.364 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.150 8.741 -7.401 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.043 6.973 -7.572 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.566 7.963 -7.628 1.00 0.00 H new ATOM 462 N ALA A 30 -2.882 4.652 -9.332 1.00 0.00 N ATOM 463 CA ALA A 30 -3.378 3.359 -8.914 1.00 0.00 C ATOM 464 C ALA A 30 -3.913 3.455 -7.495 1.00 0.00 C ATOM 465 O ALA A 30 -3.150 3.442 -6.528 1.00 0.00 O ATOM 466 CB ALA A 30 -2.285 2.303 -9.009 1.00 0.00 C ATOM 0 H ALA A 30 -1.874 4.770 -9.229 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.187 3.058 -9.579 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.681 1.339 -8.690 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.939 2.229 -10.040 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.451 2.584 -8.366 1.00 0.00 H new ATOM 472 N GLU A 31 -5.219 3.611 -7.387 1.00 0.00 N ATOM 473 CA GLU A 31 -5.871 3.718 -6.095 1.00 0.00 C ATOM 474 C GLU A 31 -6.037 2.329 -5.488 1.00 0.00 C ATOM 475 O GLU A 31 -6.813 1.511 -5.982 1.00 0.00 O ATOM 476 CB GLU A 31 -7.221 4.431 -6.263 1.00 0.00 C ATOM 477 CG GLU A 31 -7.914 4.812 -4.963 1.00 0.00 C ATOM 478 CD GLU A 31 -8.782 3.702 -4.411 1.00 0.00 C ATOM 479 OE1 GLU A 31 -9.709 3.256 -5.125 1.00 0.00 O ATOM 480 OE2 GLU A 31 -8.575 3.296 -3.254 1.00 0.00 O ATOM 0 H GLU A 31 -5.853 3.667 -8.184 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.260 4.308 -5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.067 5.334 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.887 3.786 -6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.162 5.081 -4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.528 5.697 -5.130 1.00 0.00 H new ATOM 487 N ILE A 32 -5.276 2.059 -4.440 1.00 0.00 N ATOM 488 CA ILE A 32 -5.295 0.756 -3.801 1.00 0.00 C ATOM 489 C ILE A 32 -6.024 0.833 -2.468 1.00 0.00 C ATOM 490 O ILE A 32 -5.460 1.259 -1.459 1.00 0.00 O ATOM 491 CB ILE A 32 -3.865 0.219 -3.567 1.00 0.00 C ATOM 492 CG1 ILE A 32 -3.029 0.337 -4.845 1.00 0.00 C ATOM 493 CG2 ILE A 32 -3.916 -1.229 -3.098 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.578 -0.060 -4.665 1.00 0.00 C ATOM 0 H ILE A 32 -4.636 2.728 -4.013 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.818 0.072 -4.470 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.392 0.821 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.474 -0.289 -5.618 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.073 1.366 -5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.902 -1.595 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.476 -1.290 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.406 -1.840 -3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.050 0.050 -5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.115 0.582 -3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.523 -1.098 -4.337 1.00 0.00 H new ATOM 506 N ARG A 33 -7.278 0.431 -2.470 1.00 0.00 N ATOM 507 CA ARG A 33 -8.065 0.416 -1.255 1.00 0.00 C ATOM 508 C ARG A 33 -7.895 -0.917 -0.542 1.00 0.00 C ATOM 509 O ARG A 33 -8.215 -1.974 -1.091 1.00 0.00 O ATOM 510 CB ARG A 33 -9.536 0.697 -1.572 1.00 0.00 C ATOM 511 CG ARG A 33 -10.488 0.422 -0.417 1.00 0.00 C ATOM 512 CD ARG A 33 -11.846 1.071 -0.642 1.00 0.00 C ATOM 513 NE ARG A 33 -12.294 0.983 -2.032 1.00 0.00 N ATOM 514 CZ ARG A 33 -13.538 1.235 -2.433 1.00 0.00 C ATOM 515 NH1 ARG A 33 -14.485 1.546 -1.556 1.00 0.00 N ATOM 516 NH2 ARG A 33 -13.833 1.186 -3.720 1.00 0.00 N ATOM 0 H ARG A 33 -7.775 0.110 -3.301 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.712 1.203 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.638 1.740 -1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.834 0.089 -2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.614 -0.654 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.054 0.797 0.510 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.583 0.593 0.003 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.796 2.119 -0.347 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.610 0.711 -2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.263 1.594 -0.562 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.434 1.737 -1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.109 0.956 -4.401 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.785 1.378 -4.033 1.00 0.00 H new ATOM 530 N CYS A 34 -7.370 -0.863 0.668 1.00 0.00 N ATOM 531 CA CYS A 34 -7.116 -2.061 1.445 1.00 0.00 C ATOM 532 C CYS A 34 -7.971 -2.050 2.699 1.00 0.00 C ATOM 533 O CYS A 34 -8.234 -0.988 3.262 1.00 0.00 O ATOM 534 CB CYS A 34 -5.635 -2.140 1.821 1.00 0.00 C ATOM 535 SG CYS A 34 -4.509 -1.920 0.422 1.00 0.00 S ATOM 0 H CYS A 34 -7.110 0.005 1.136 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.373 -2.935 0.846 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.420 -1.379 2.571 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.439 -3.107 2.284 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.631 -2.879 0.416 1.00 0.00 H new ATOM 541 N GLN A 35 -8.424 -3.217 3.122 1.00 0.00 N ATOM 542 CA GLN A 35 -9.232 -3.305 4.325 1.00 0.00 C ATOM 543 C GLN A 35 -8.795 -4.470 5.196 1.00 0.00 C ATOM 544 O GLN A 35 -8.688 -5.605 4.730 1.00 0.00 O ATOM 545 CB GLN A 35 -10.719 -3.435 3.983 1.00 0.00 C ATOM 546 CG GLN A 35 -11.623 -3.378 5.208 1.00 0.00 C ATOM 547 CD GLN A 35 -13.098 -3.381 4.857 1.00 0.00 C ATOM 548 OE1 GLN A 35 -13.498 -2.917 3.789 1.00 0.00 O ATOM 549 NE2 GLN A 35 -13.923 -3.889 5.759 1.00 0.00 N ATOM 0 H GLN A 35 -8.249 -4.107 2.656 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.084 -2.381 4.884 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.998 -2.637 3.296 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.884 -4.377 3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.407 -4.230 5.852 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.393 -2.479 5.781 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.555 -4.265 6.633 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.927 -3.905 5.580 1.00 0.00 H new ATOM 558 N LEU A 36 -8.530 -4.172 6.458 1.00 0.00 N ATOM 559 CA LEU A 36 -8.228 -5.194 7.442 1.00 0.00 C ATOM 560 C LEU A 36 -9.503 -5.566 8.184 1.00 0.00 C ATOM 561 O LEU A 36 -10.181 -4.705 8.742 1.00 0.00 O ATOM 562 CB LEU A 36 -7.148 -4.688 8.417 1.00 0.00 C ATOM 563 CG LEU A 36 -6.662 -5.687 9.481 1.00 0.00 C ATOM 564 CD1 LEU A 36 -5.233 -5.355 9.890 1.00 0.00 C ATOM 565 CD2 LEU A 36 -7.574 -5.670 10.707 1.00 0.00 C ATOM 0 H LEU A 36 -8.519 -3.221 6.825 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.839 -6.082 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.286 -4.365 7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.536 -3.807 8.928 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.691 -6.687 9.049 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.896 -6.067 10.644 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.582 -5.414 9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.197 -4.346 10.302 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.207 -6.385 11.443 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.579 -4.671 11.143 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.587 -5.942 10.411 1.00 0.00 H new ATOM 577 N HIS A 37 -9.843 -6.842 8.155 1.00 0.00 N ATOM 578 CA HIS A 37 -11.014 -7.334 8.860 1.00 0.00 C ATOM 579 C HIS A 37 -10.596 -8.013 10.150 1.00 0.00 C ATOM 580 O HIS A 37 -9.941 -9.060 10.128 1.00 0.00 O ATOM 581 CB HIS A 37 -11.805 -8.313 7.983 1.00 0.00 C ATOM 582 CG HIS A 37 -13.109 -8.749 8.584 1.00 0.00 C ATOM 583 ND1 HIS A 37 -14.324 -8.263 8.160 1.00 0.00 N ATOM 584 CD2 HIS A 37 -13.387 -9.633 9.573 1.00 0.00 C ATOM 585 CE1 HIS A 37 -15.292 -8.822 8.860 1.00 0.00 C ATOM 586 NE2 HIS A 37 -14.750 -9.657 9.722 1.00 0.00 N ATOM 0 H HIS A 37 -9.323 -7.559 7.649 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.657 -6.485 9.094 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.999 -7.846 7.018 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.191 -9.193 7.793 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.670 -10.210 10.138 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -16.348 -8.628 8.746 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -15.262 -10.230 10.393 1.00 0.00 H new ATOM 595 N ARG A 38 -10.958 -7.413 11.269 1.00 0.00 N ATOM 596 CA ARG A 38 -10.692 -8.007 12.563 1.00 0.00 C ATOM 597 C ARG A 38 -11.988 -8.538 13.179 1.00 0.00 C ATOM 598 O ARG A 38 -13.013 -7.849 13.196 1.00 0.00 O ATOM 599 CB ARG A 38 -10.022 -6.996 13.508 1.00 0.00 C ATOM 600 CG ARG A 38 -10.906 -5.825 13.900 1.00 0.00 C ATOM 601 CD ARG A 38 -10.304 -5.029 15.046 1.00 0.00 C ATOM 602 NE ARG A 38 -9.393 -3.984 14.598 1.00 0.00 N ATOM 603 CZ ARG A 38 -9.590 -2.687 14.824 1.00 0.00 C ATOM 604 NH1 ARG A 38 -10.701 -2.270 15.418 1.00 0.00 N ATOM 605 NH2 ARG A 38 -8.672 -1.808 14.441 1.00 0.00 N ATOM 0 H ARG A 38 -11.438 -6.514 11.306 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.004 -8.840 12.420 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.706 -7.516 14.412 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.121 -6.612 13.030 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.050 -5.172 13.039 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.891 -6.192 14.189 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.107 -4.578 15.629 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.770 -5.708 15.711 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.558 -4.262 14.083 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.410 -2.945 15.704 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.846 -1.275 15.588 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.822 -2.128 13.977 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.817 -0.813 14.611 1.00 0.00 H new ATOM 712 N THR A 45 -5.751 -0.487 18.729 1.00 0.00 N ATOM 713 CA THR A 45 -4.587 -1.175 18.192 1.00 0.00 C ATOM 714 C THR A 45 -4.114 -0.474 16.920 1.00 0.00 C ATOM 715 O THR A 45 -4.868 -0.353 15.954 1.00 0.00 O ATOM 716 CB THR A 45 -4.908 -2.658 17.895 1.00 0.00 C ATOM 717 OG1 THR A 45 -5.261 -3.332 19.111 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.723 -3.365 17.249 1.00 0.00 C ATOM 0 HA THR A 45 -3.793 -1.144 18.938 1.00 0.00 H new ATOM 0 HB THR A 45 -5.745 -2.687 17.198 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.635 -2.686 19.746 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.982 -4.405 17.054 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.472 -2.871 16.310 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.865 -3.325 17.920 1.00 0.00 H new ATOM 726 N LYS A 46 -2.875 0.003 16.935 1.00 0.00 N ATOM 727 CA LYS A 46 -2.330 0.753 15.810 1.00 0.00 C ATOM 728 C LYS A 46 -1.645 -0.181 14.823 1.00 0.00 C ATOM 729 O LYS A 46 -0.927 -1.098 15.220 1.00 0.00 O ATOM 730 CB LYS A 46 -1.327 1.803 16.295 1.00 0.00 C ATOM 731 CG LYS A 46 -1.913 2.827 17.256 1.00 0.00 C ATOM 732 CD LYS A 46 -0.862 3.828 17.713 1.00 0.00 C ATOM 733 CE LYS A 46 -0.411 4.741 16.580 1.00 0.00 C ATOM 734 NZ LYS A 46 -1.458 5.730 16.210 1.00 0.00 N ATOM 0 H LYS A 46 -2.228 -0.116 17.715 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.159 1.255 15.311 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.495 1.296 16.784 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.918 2.325 15.430 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.733 3.355 16.770 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.332 2.316 18.123 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.266 4.432 18.526 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.000 3.292 18.111 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.496 5.268 16.878 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.158 4.138 15.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.070 6.405 15.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.270 5.235 15.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.767 6.243 17.060 1.00 0.00 H new ATOM 748 N TYR A 47 -1.877 0.051 13.542 1.00 0.00 N ATOM 749 CA TYR A 47 -1.220 -0.720 12.500 1.00 0.00 C ATOM 750 C TYR A 47 -0.066 0.087 11.923 1.00 0.00 C ATOM 751 O TYR A 47 -0.015 1.308 12.089 1.00 0.00 O ATOM 752 CB TYR A 47 -2.210 -1.082 11.390 1.00 0.00 C ATOM 753 CG TYR A 47 -3.468 -1.763 11.880 1.00 0.00 C ATOM 754 CD1 TYR A 47 -3.421 -3.021 12.467 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.704 -1.145 11.751 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.573 -3.643 12.911 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.859 -1.761 12.191 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.788 -3.009 12.769 1.00 0.00 C ATOM 759 OH TYR A 47 -6.938 -3.627 13.206 1.00 0.00 O ATOM 0 H TYR A 47 -2.516 0.768 13.198 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.838 -1.644 12.934 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.487 -0.174 10.855 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.712 -1.735 10.673 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.470 -3.521 12.578 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.764 -0.166 11.299 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.521 -4.621 13.367 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.813 -1.267 12.082 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.700 -3.315 12.674 1.00 0.00 H new ATOM 769 N PHE A 48 0.854 -0.589 11.253 1.00 0.00 N ATOM 770 CA PHE A 48 2.014 0.067 10.674 1.00 0.00 C ATOM 771 C PHE A 48 2.208 -0.362 9.224 1.00 0.00 C ATOM 772 O PHE A 48 1.956 -1.514 8.869 1.00 0.00 O ATOM 773 CB PHE A 48 3.269 -0.257 11.487 1.00 0.00 C ATOM 774 CG PHE A 48 3.202 0.203 12.915 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.477 1.521 13.244 1.00 0.00 C ATOM 776 CD2 PHE A 48 2.861 -0.681 13.928 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.413 1.949 14.555 1.00 0.00 C ATOM 778 CE2 PHE A 48 2.796 -0.259 15.242 1.00 0.00 C ATOM 779 CZ PHE A 48 3.074 1.058 15.556 1.00 0.00 C ATOM 0 H PHE A 48 0.819 -1.596 11.097 1.00 0.00 H new ATOM 0 HA PHE A 48 1.844 1.143 10.698 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.434 -1.334 11.470 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.131 0.205 11.006 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.744 2.221 12.466 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.644 -1.711 13.687 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.628 2.979 14.798 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.529 -0.957 16.022 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.026 1.391 16.582 1.00 0.00 H new ATOM 789 N ILE A 49 2.650 0.569 8.391 1.00 0.00 N ATOM 790 CA ILE A 49 2.889 0.293 6.983 1.00 0.00 C ATOM 791 C ILE A 49 4.338 0.603 6.611 1.00 0.00 C ATOM 792 O ILE A 49 4.900 1.620 7.031 1.00 0.00 O ATOM 793 CB ILE A 49 1.929 1.100 6.073 1.00 0.00 C ATOM 794 CG1 ILE A 49 2.180 0.769 4.596 1.00 0.00 C ATOM 795 CG2 ILE A 49 2.072 2.598 6.319 1.00 0.00 C ATOM 796 CD1 ILE A 49 1.225 1.459 3.646 1.00 0.00 C ATOM 0 H ILE A 49 2.852 1.529 8.670 1.00 0.00 H new ATOM 0 HA ILE A 49 2.698 -0.768 6.824 1.00 0.00 H new ATOM 0 HB ILE A 49 0.907 0.814 6.322 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.201 1.050 4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.102 -0.309 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.387 3.141 5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.836 2.820 7.360 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.096 2.906 6.106 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.464 1.177 2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.203 1.159 3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.319 2.539 3.756 1.00 0.00 H new ATOM 808 N ARG A 50 4.946 -0.293 5.851 1.00 0.00 N ATOM 809 CA ARG A 50 6.307 -0.105 5.377 1.00 0.00 C ATOM 810 C ARG A 50 6.484 -0.802 4.039 1.00 0.00 C ATOM 811 O ARG A 50 6.347 -2.020 3.954 1.00 0.00 O ATOM 812 CB ARG A 50 7.309 -0.684 6.377 1.00 0.00 C ATOM 813 CG ARG A 50 8.755 -0.377 6.030 1.00 0.00 C ATOM 814 CD ARG A 50 9.721 -1.265 6.797 1.00 0.00 C ATOM 815 NE ARG A 50 9.654 -2.656 6.348 1.00 0.00 N ATOM 816 CZ ARG A 50 10.695 -3.493 6.349 1.00 0.00 C ATOM 817 NH1 ARG A 50 11.876 -3.101 6.814 1.00 0.00 N ATOM 818 NH2 ARG A 50 10.542 -4.732 5.899 1.00 0.00 N ATOM 0 H ARG A 50 4.514 -1.165 5.547 1.00 0.00 H new ATOM 0 HA ARG A 50 6.489 0.964 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.090 -0.289 7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.177 -1.765 6.428 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.908 -0.513 4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.968 0.669 6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.737 -0.891 6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.493 -1.215 7.862 1.00 0.00 H new ATOM 0 HE ARG A 50 8.757 -3.008 6.014 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.993 -2.154 7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.665 -3.747 6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.633 -5.041 5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.333 -5.375 5.897 1.00 0.00 H new ATOM 832 N TYR A 51 6.776 -0.051 2.994 1.00 0.00 N ATOM 833 CA TYR A 51 7.003 -0.659 1.700 1.00 0.00 C ATOM 834 C TYR A 51 8.484 -0.592 1.347 1.00 0.00 C ATOM 835 O TYR A 51 9.187 0.333 1.757 1.00 0.00 O ATOM 836 CB TYR A 51 6.144 0.005 0.609 1.00 0.00 C ATOM 837 CG TYR A 51 6.737 1.258 -0.006 1.00 0.00 C ATOM 838 CD1 TYR A 51 6.529 2.510 0.559 1.00 0.00 C ATOM 839 CD2 TYR A 51 7.497 1.183 -1.168 1.00 0.00 C ATOM 840 CE1 TYR A 51 7.064 3.649 -0.017 1.00 0.00 C ATOM 841 CE2 TYR A 51 8.033 2.317 -1.746 1.00 0.00 C ATOM 842 CZ TYR A 51 7.817 3.544 -1.170 1.00 0.00 C ATOM 843 OH TYR A 51 8.354 4.672 -1.753 1.00 0.00 O ATOM 0 H TYR A 51 6.860 0.965 3.015 1.00 0.00 H new ATOM 0 HA TYR A 51 6.703 -1.705 1.754 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.968 -0.721 -0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.172 0.254 1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.941 2.596 1.461 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.671 0.221 -1.627 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.893 4.616 0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.621 2.239 -2.649 1.00 0.00 H new ATOM 0 HH TYR A 51 8.856 4.418 -2.556 1.00 0.00 H new ATOM 853 N PHE A 52 8.953 -1.588 0.619 1.00 0.00 N ATOM 854 CA PHE A 52 10.324 -1.616 0.153 1.00 0.00 C ATOM 855 C PHE A 52 10.332 -1.584 -1.368 1.00 0.00 C ATOM 856 O PHE A 52 9.671 -2.400 -2.014 1.00 0.00 O ATOM 857 CB PHE A 52 11.043 -2.866 0.673 1.00 0.00 C ATOM 858 CG PHE A 52 12.497 -2.936 0.288 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.315 -1.821 0.395 1.00 0.00 C ATOM 860 CD2 PHE A 52 13.047 -4.122 -0.167 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.650 -1.887 0.056 1.00 0.00 C ATOM 862 CE2 PHE A 52 14.385 -4.194 -0.511 1.00 0.00 C ATOM 863 CZ PHE A 52 15.187 -3.075 -0.400 1.00 0.00 C ATOM 0 H PHE A 52 8.397 -2.395 0.336 1.00 0.00 H new ATOM 0 HA PHE A 52 10.855 -0.744 0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.963 -2.894 1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.533 -3.751 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.901 -0.888 0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 52 12.425 -5.001 -0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.275 -1.011 0.147 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.802 -5.125 -0.866 1.00 0.00 H new ATOM 0 HZ PHE A 52 16.232 -3.129 -0.669 1.00 0.00 H new ATOM 873 N GLN A 53 11.064 -0.637 -1.930 1.00 0.00 N ATOM 874 CA GLN A 53 11.073 -0.439 -3.371 1.00 0.00 C ATOM 875 C GLN A 53 12.503 -0.447 -3.907 1.00 0.00 C ATOM 876 O GLN A 53 13.103 0.607 -4.120 1.00 0.00 O ATOM 877 CB GLN A 53 10.383 0.883 -3.710 1.00 0.00 C ATOM 878 CG GLN A 53 10.160 1.118 -5.195 1.00 0.00 C ATOM 879 CD GLN A 53 9.562 2.486 -5.474 1.00 0.00 C ATOM 880 OE1 GLN A 53 9.804 3.444 -4.739 1.00 0.00 O ATOM 881 NE2 GLN A 53 8.765 2.585 -6.522 1.00 0.00 N ATOM 0 H GLN A 53 11.660 0.007 -1.411 1.00 0.00 H new ATOM 0 HA GLN A 53 10.531 -1.258 -3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.419 0.915 -3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.981 1.703 -3.312 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.109 1.023 -5.723 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.498 0.346 -5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.589 1.769 -7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.326 3.478 -6.746 1.00 0.00 H new ATOM 890 N PRO A 54 13.089 -1.639 -4.075 1.00 0.00 N ATOM 891 CA PRO A 54 14.437 -1.783 -4.624 1.00 0.00 C ATOM 892 C PRO A 54 14.441 -1.763 -6.150 1.00 0.00 C ATOM 893 O PRO A 54 15.482 -1.583 -6.784 1.00 0.00 O ATOM 894 CB PRO A 54 14.857 -3.156 -4.110 1.00 0.00 C ATOM 895 CG PRO A 54 13.585 -3.937 -4.066 1.00 0.00 C ATOM 896 CD PRO A 54 12.493 -2.947 -3.737 1.00 0.00 C ATOM 0 HA PRO A 54 15.100 -0.970 -4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.588 -3.622 -4.771 1.00 0.00 H new ATOM 0 HB3 PRO A 54 15.317 -3.088 -3.124 1.00 0.00 H new ATOM 0 HG2 PRO A 54 13.394 -4.424 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.637 -4.723 -3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.591 -3.138 -4.319 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.210 -2.998 -2.686 1.00 0.00 H new ATOM 904 N ASP A 55 13.262 -1.937 -6.725 1.00 0.00 N ATOM 905 CA ASP A 55 13.125 -2.134 -8.157 1.00 0.00 C ATOM 906 C ASP A 55 11.915 -1.371 -8.680 1.00 0.00 C ATOM 907 O ASP A 55 10.780 -1.809 -8.504 1.00 0.00 O ATOM 908 CB ASP A 55 12.978 -3.634 -8.438 1.00 0.00 C ATOM 909 CG ASP A 55 12.898 -3.976 -9.910 1.00 0.00 C ATOM 910 OD1 ASP A 55 13.960 -4.038 -10.565 1.00 0.00 O ATOM 911 OD2 ASP A 55 11.780 -4.224 -10.409 1.00 0.00 O ATOM 0 H ASP A 55 12.379 -1.946 -6.215 1.00 0.00 H new ATOM 0 HA ASP A 55 14.010 -1.754 -8.668 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.825 -4.161 -7.998 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.080 -4.001 -7.940 1.00 0.00 H new ATOM 916 N GLY A 56 12.152 -0.215 -9.281 1.00 0.00 N ATOM 917 CA GLY A 56 11.062 0.560 -9.844 1.00 0.00 C ATOM 918 C GLY A 56 11.170 2.041 -9.534 1.00 0.00 C ATOM 919 O GLY A 56 12.124 2.482 -8.890 1.00 0.00 O ATOM 0 H GLY A 56 13.077 0.201 -9.390 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.044 0.420 -10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.116 0.181 -9.458 1.00 0.00 H new ATOM 923 N ALA A 57 10.191 2.805 -10.003 1.00 0.00 N ATOM 924 CA ALA A 57 10.144 4.242 -9.764 1.00 0.00 C ATOM 925 C ALA A 57 8.737 4.654 -9.344 1.00 0.00 C ATOM 926 O ALA A 57 7.881 3.798 -9.135 1.00 0.00 O ATOM 927 CB ALA A 57 10.574 4.992 -11.015 1.00 0.00 C ATOM 0 H ALA A 57 9.412 2.449 -10.556 1.00 0.00 H new ATOM 0 HA ALA A 57 10.833 4.494 -8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.536 6.065 -10.827 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.592 4.706 -11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.903 4.743 -11.837 1.00 0.00 H new ATOM 933 N GLY A 58 8.496 5.951 -9.191 1.00 0.00 N ATOM 934 CA GLY A 58 7.153 6.409 -8.890 1.00 0.00 C ATOM 935 C GLY A 58 7.032 7.067 -7.533 1.00 0.00 C ATOM 936 O GLY A 58 8.032 7.454 -6.924 1.00 0.00 O ATOM 0 H GLY A 58 9.198 6.687 -9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.838 7.116 -9.658 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.469 5.562 -8.937 1.00 0.00 H new ATOM 940 N THR A 59 5.798 7.197 -7.062 1.00 0.00 N ATOM 941 CA THR A 59 5.522 7.788 -5.759 1.00 0.00 C ATOM 942 C THR A 59 4.284 7.142 -5.129 1.00 0.00 C ATOM 943 O THR A 59 3.252 6.992 -5.789 1.00 0.00 O ATOM 944 CB THR A 59 5.301 9.312 -5.879 1.00 0.00 C ATOM 945 OG1 THR A 59 6.401 9.911 -6.576 1.00 0.00 O ATOM 946 CG2 THR A 59 5.157 9.958 -4.508 1.00 0.00 C ATOM 0 H THR A 59 4.965 6.898 -7.569 1.00 0.00 H new ATOM 0 HA THR A 59 6.388 7.607 -5.122 1.00 0.00 H new ATOM 0 HB THR A 59 4.378 9.475 -6.435 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.254 10.877 -6.650 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.003 11.031 -4.626 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.303 9.523 -3.989 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.062 9.783 -3.927 1.00 0.00 H new ATOM 954 N LEU A 60 4.396 6.749 -3.863 1.00 0.00 N ATOM 955 CA LEU A 60 3.288 6.126 -3.151 1.00 0.00 C ATOM 956 C LEU A 60 2.788 7.040 -2.033 1.00 0.00 C ATOM 957 O LEU A 60 3.560 7.468 -1.173 1.00 0.00 O ATOM 958 CB LEU A 60 3.720 4.773 -2.573 1.00 0.00 C ATOM 959 CG LEU A 60 2.626 3.994 -1.837 1.00 0.00 C ATOM 960 CD1 LEU A 60 1.466 3.678 -2.770 1.00 0.00 C ATOM 961 CD2 LEU A 60 3.197 2.716 -1.247 1.00 0.00 C ATOM 0 H LEU A 60 5.246 6.852 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 60 2.474 5.963 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.099 4.154 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.549 4.939 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 60 2.248 4.616 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.701 3.124 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.041 4.607 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.824 3.076 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.409 2.172 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.600 2.095 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.992 2.963 -0.544 1.00 0.00 H new ATOM 973 N LYS A 61 1.500 7.345 -2.061 1.00 0.00 N ATOM 974 CA LYS A 61 0.892 8.215 -1.062 1.00 0.00 C ATOM 975 C LYS A 61 -0.224 7.483 -0.326 1.00 0.00 C ATOM 976 O LYS A 61 -0.802 6.530 -0.846 1.00 0.00 O ATOM 977 CB LYS A 61 0.315 9.467 -1.726 1.00 0.00 C ATOM 978 CG LYS A 61 1.312 10.238 -2.573 1.00 0.00 C ATOM 979 CD LYS A 61 0.630 11.375 -3.313 1.00 0.00 C ATOM 980 CE LYS A 61 1.585 12.082 -4.259 1.00 0.00 C ATOM 981 NZ LYS A 61 0.885 13.090 -5.101 1.00 0.00 N ATOM 0 H LYS A 61 0.851 7.001 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 61 1.666 8.504 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.529 9.177 -2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.075 10.128 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.104 10.635 -1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.785 9.565 -3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.218 10.986 -3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.233 12.091 -2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.370 12.572 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.071 11.347 -4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.571 13.551 -5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.152 12.619 -5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.442 13.806 -4.490 1.00 0.00 H new ATOM 995 N MET A 62 -0.517 7.929 0.881 1.00 0.00 N ATOM 996 CA MET A 62 -1.639 7.401 1.642 1.00 0.00 C ATOM 997 C MET A 62 -2.864 8.288 1.416 1.00 0.00 C ATOM 998 O MET A 62 -2.735 9.400 0.906 1.00 0.00 O ATOM 999 CB MET A 62 -1.283 7.344 3.133 1.00 0.00 C ATOM 1000 CG MET A 62 -2.251 6.518 3.967 1.00 0.00 C ATOM 1001 SD MET A 62 -1.912 6.616 5.736 1.00 0.00 S ATOM 1002 CE MET A 62 -0.229 6.006 5.804 1.00 0.00 C ATOM 0 H MET A 62 0.009 8.660 1.360 1.00 0.00 H new ATOM 0 HA MET A 62 -1.865 6.389 1.306 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.281 6.930 3.242 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.253 8.359 3.528 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.269 6.859 3.778 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.200 5.477 3.649 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.080 5.451 6.730 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.046 5.349 4.954 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.464 6.846 5.769 1.00 0.00 H new ATOM 1012 N SER A 63 -4.041 7.799 1.798 1.00 0.00 N ATOM 1013 CA SER A 63 -5.298 8.531 1.626 1.00 0.00 C ATOM 1014 C SER A 63 -5.253 9.922 2.262 1.00 0.00 C ATOM 1015 O SER A 63 -5.937 10.847 1.816 1.00 0.00 O ATOM 1016 CB SER A 63 -6.440 7.719 2.237 1.00 0.00 C ATOM 1017 OG SER A 63 -6.092 7.252 3.533 1.00 0.00 O ATOM 0 H SER A 63 -4.153 6.884 2.236 1.00 0.00 H new ATOM 0 HA SER A 63 -5.459 8.671 0.557 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.338 8.334 2.296 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.676 6.873 1.592 1.00 0.00 H new ATOM 0 HG SER A 63 -5.902 8.016 4.116 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.436 10.055 3.297 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.341 11.291 4.062 1.00 0.00 C ATOM 1025 C ASP A 64 -3.342 12.255 3.433 1.00 0.00 C ATOM 1026 O ASP A 64 -3.055 13.315 3.988 1.00 0.00 O ATOM 1027 CB ASP A 64 -3.930 10.973 5.503 1.00 0.00 C ATOM 1028 CG ASP A 64 -5.002 10.211 6.261 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -5.393 9.109 5.808 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -5.472 10.718 7.300 1.00 0.00 O ATOM 0 H ASP A 64 -3.822 9.312 3.630 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.318 11.773 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.011 10.387 5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.710 11.903 6.028 1.00 0.00 H new ATOM 1035 N GLY A 65 -2.812 11.882 2.274 1.00 0.00 N ATOM 1036 CA GLY A 65 -1.868 12.733 1.572 1.00 0.00 C ATOM 1037 C GLY A 65 -0.443 12.515 2.043 1.00 0.00 C ATOM 1038 O GLY A 65 0.487 13.164 1.564 1.00 0.00 O ATOM 0 H GLY A 65 -3.020 11.000 1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.930 12.536 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.142 13.777 1.720 1.00 0.00 H new ATOM 1042 N THR A 66 -0.279 11.596 2.982 1.00 0.00 N ATOM 1043 CA THR A 66 1.028 11.270 3.520 1.00 0.00 C ATOM 1044 C THR A 66 1.851 10.483 2.505 1.00 0.00 C ATOM 1045 O THR A 66 1.453 9.394 2.087 1.00 0.00 O ATOM 1046 CB THR A 66 0.887 10.447 4.814 1.00 0.00 C ATOM 1047 OG1 THR A 66 -0.002 11.120 5.713 1.00 0.00 O ATOM 1048 CG2 THR A 66 2.236 10.234 5.487 1.00 0.00 C ATOM 0 H THR A 66 -1.045 11.059 3.389 1.00 0.00 H new ATOM 0 HA THR A 66 1.541 12.205 3.742 1.00 0.00 H new ATOM 0 HB THR A 66 0.483 9.469 4.554 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.094 10.596 6.536 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.100 9.650 6.397 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.901 9.700 4.808 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.674 11.200 5.738 1.00 0.00 H new ATOM 1056 N VAL A 67 2.975 11.051 2.094 1.00 0.00 N ATOM 1057 CA VAL A 67 3.879 10.368 1.184 1.00 0.00 C ATOM 1058 C VAL A 67 4.698 9.338 1.954 1.00 0.00 C ATOM 1059 O VAL A 67 5.258 9.638 3.007 1.00 0.00 O ATOM 1060 CB VAL A 67 4.821 11.361 0.467 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.739 10.634 -0.503 1.00 0.00 C ATOM 1062 CG2 VAL A 67 4.014 12.429 -0.256 1.00 0.00 C ATOM 0 H VAL A 67 3.282 11.982 2.376 1.00 0.00 H new ATOM 0 HA VAL A 67 3.280 9.869 0.422 1.00 0.00 H new ATOM 0 HB VAL A 67 5.443 11.846 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.392 11.355 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.344 9.909 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.140 10.116 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.692 13.121 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.366 11.958 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.405 12.975 0.465 1.00 0.00 H new ATOM 1072 N LEU A 68 4.748 8.123 1.432 1.00 0.00 N ATOM 1073 CA LEU A 68 5.422 7.031 2.112 1.00 0.00 C ATOM 1074 C LEU A 68 6.838 6.855 1.577 1.00 0.00 C ATOM 1075 O LEU A 68 7.105 7.140 0.407 1.00 0.00 O ATOM 1076 CB LEU A 68 4.617 5.742 1.937 1.00 0.00 C ATOM 1077 CG LEU A 68 3.171 5.822 2.430 1.00 0.00 C ATOM 1078 CD1 LEU A 68 2.403 4.568 2.050 1.00 0.00 C ATOM 1079 CD2 LEU A 68 3.133 6.031 3.937 1.00 0.00 C ATOM 0 H LEU A 68 4.329 7.869 0.538 1.00 0.00 H new ATOM 0 HA LEU A 68 5.492 7.266 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.612 5.473 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.124 4.937 2.469 1.00 0.00 H new ATOM 0 HG LEU A 68 2.693 6.675 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.377 4.646 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.399 4.458 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.881 3.698 2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.097 6.086 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.630 5.197 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.645 6.960 4.188 1.00 0.00 H new ATOM 1091 N LEU A 69 7.736 6.393 2.434 1.00 0.00 N ATOM 1092 CA LEU A 69 9.130 6.191 2.059 1.00 0.00 C ATOM 1093 C LEU A 69 9.535 4.738 2.281 1.00 0.00 C ATOM 1094 O LEU A 69 9.013 4.069 3.175 1.00 0.00 O ATOM 1095 CB LEU A 69 10.043 7.127 2.864 1.00 0.00 C ATOM 1096 CG LEU A 69 9.853 8.618 2.593 1.00 0.00 C ATOM 1097 CD1 LEU A 69 10.747 9.441 3.506 1.00 0.00 C ATOM 1098 CD2 LEU A 69 10.147 8.937 1.137 1.00 0.00 C ATOM 0 H LEU A 69 7.523 6.149 3.401 1.00 0.00 H new ATOM 0 HA LEU A 69 9.240 6.425 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.878 6.944 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.080 6.866 2.653 1.00 0.00 H new ATOM 0 HG LEU A 69 8.814 8.876 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.600 10.501 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.494 9.235 4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.790 9.178 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.006 10.004 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.177 8.664 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.469 8.372 0.497 1.00 0.00 H new ATOM 1110 N PRO A 70 10.461 4.224 1.460 1.00 0.00 N ATOM 1111 CA PRO A 70 10.917 2.837 1.548 1.00 0.00 C ATOM 1112 C PRO A 70 11.656 2.545 2.850 1.00 0.00 C ATOM 1113 O PRO A 70 12.583 3.266 3.227 1.00 0.00 O ATOM 1114 CB PRO A 70 11.867 2.677 0.358 1.00 0.00 C ATOM 1115 CG PRO A 70 11.598 3.847 -0.529 1.00 0.00 C ATOM 1116 CD PRO A 70 11.138 4.952 0.378 1.00 0.00 C ATOM 0 HA PRO A 70 10.075 2.145 1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.907 2.664 0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.686 1.738 -0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.495 4.138 -1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.836 3.608 -1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.974 5.544 0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.463 5.639 -0.132 1.00 0.00 H new ATOM 1124 N ASN A 71 11.224 1.487 3.530 1.00 0.00 N ATOM 1125 CA ASN A 71 11.852 1.021 4.772 1.00 0.00 C ATOM 1126 C ASN A 71 11.674 2.002 5.927 1.00 0.00 C ATOM 1127 O ASN A 71 12.342 1.883 6.957 1.00 0.00 O ATOM 1128 CB ASN A 71 13.338 0.708 4.570 1.00 0.00 C ATOM 1129 CG ASN A 71 13.560 -0.682 4.011 1.00 0.00 C ATOM 1130 OD1 ASN A 71 12.705 -1.226 3.315 1.00 0.00 O ATOM 1131 ND2 ASN A 71 14.705 -1.269 4.317 1.00 0.00 N ATOM 0 H ASN A 71 10.426 0.923 3.238 1.00 0.00 H new ATOM 0 HA ASN A 71 11.334 0.100 5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.774 1.443 3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.860 0.802 5.522 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.905 -2.208 3.972 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.388 -0.783 4.898 1.00 0.00 H new ATOM 1138 N ASP A 72 10.771 2.956 5.770 1.00 0.00 N ATOM 1139 CA ASP A 72 10.407 3.834 6.872 1.00 0.00 C ATOM 1140 C ASP A 72 9.028 3.433 7.374 1.00 0.00 C ATOM 1141 O ASP A 72 8.087 3.325 6.587 1.00 0.00 O ATOM 1142 CB ASP A 72 10.414 5.302 6.440 1.00 0.00 C ATOM 1143 CG ASP A 72 10.399 6.250 7.624 1.00 0.00 C ATOM 1144 OD1 ASP A 72 9.306 6.602 8.110 1.00 0.00 O ATOM 1145 OD2 ASP A 72 11.491 6.645 8.089 1.00 0.00 O ATOM 0 H ASP A 72 10.279 3.142 4.896 1.00 0.00 H new ATOM 0 HA ASP A 72 11.141 3.730 7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.299 5.496 5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.546 5.497 5.810 1.00 0.00 H new ATOM 1150 N LEU A 73 8.908 3.180 8.669 1.00 0.00 N ATOM 1151 CA LEU A 73 7.671 2.643 9.214 1.00 0.00 C ATOM 1152 C LEU A 73 6.708 3.760 9.606 1.00 0.00 C ATOM 1153 O LEU A 73 6.968 4.530 10.533 1.00 0.00 O ATOM 1154 CB LEU A 73 7.967 1.740 10.415 1.00 0.00 C ATOM 1155 CG LEU A 73 6.796 0.869 10.884 1.00 0.00 C ATOM 1156 CD1 LEU A 73 6.315 -0.024 9.753 1.00 0.00 C ATOM 1157 CD2 LEU A 73 7.196 0.018 12.082 1.00 0.00 C ATOM 0 H LEU A 73 9.645 3.336 9.356 1.00 0.00 H new ATOM 0 HA LEU A 73 7.190 2.047 8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.804 1.089 10.162 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.290 2.365 11.248 1.00 0.00 H new ATOM 0 HG LEU A 73 5.984 1.531 11.186 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.483 -0.636 10.101 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.986 0.593 8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.130 -0.670 9.428 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.348 -0.591 12.395 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.026 -0.632 11.806 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.500 0.666 12.904 1.00 0.00 H new ATOM 1169 N TYR A 74 5.603 3.849 8.879 1.00 0.00 N ATOM 1170 CA TYR A 74 4.563 4.826 9.170 1.00 0.00 C ATOM 1171 C TYR A 74 3.347 4.138 9.779 1.00 0.00 C ATOM 1172 O TYR A 74 3.089 2.971 9.497 1.00 0.00 O ATOM 1173 CB TYR A 74 4.157 5.572 7.896 1.00 0.00 C ATOM 1174 CG TYR A 74 5.222 6.509 7.371 1.00 0.00 C ATOM 1175 CD1 TYR A 74 5.385 7.776 7.921 1.00 0.00 C ATOM 1176 CD2 TYR A 74 6.061 6.131 6.330 1.00 0.00 C ATOM 1177 CE1 TYR A 74 6.351 8.638 7.445 1.00 0.00 C ATOM 1178 CE2 TYR A 74 7.031 6.992 5.851 1.00 0.00 C ATOM 1179 CZ TYR A 74 7.170 8.242 6.411 1.00 0.00 C ATOM 1180 OH TYR A 74 8.134 9.100 5.942 1.00 0.00 O ATOM 0 H TYR A 74 5.403 3.251 8.077 1.00 0.00 H new ATOM 0 HA TYR A 74 4.958 5.546 9.887 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.913 4.844 7.122 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.250 6.143 8.094 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.746 8.090 8.733 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.954 5.151 5.889 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.465 9.619 7.881 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.677 6.685 5.041 1.00 0.00 H new ATOM 0 HH TYR A 74 8.436 9.682 6.670 1.00 0.00 H new ATOM 1190 N PRO A 75 2.597 4.838 10.637 1.00 0.00 N ATOM 1191 CA PRO A 75 1.393 4.284 11.252 1.00 0.00 C ATOM 1192 C PRO A 75 0.179 4.341 10.324 1.00 0.00 C ATOM 1193 O PRO A 75 0.073 5.224 9.475 1.00 0.00 O ATOM 1194 CB PRO A 75 1.184 5.183 12.469 1.00 0.00 C ATOM 1195 CG PRO A 75 1.755 6.503 12.069 1.00 0.00 C ATOM 1196 CD PRO A 75 2.868 6.216 11.092 1.00 0.00 C ATOM 0 HA PRO A 75 1.505 3.227 11.495 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.127 5.269 12.721 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.689 4.783 13.348 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.991 7.132 11.612 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.133 7.041 12.939 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.860 6.920 10.260 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.846 6.295 11.567 1.00 0.00 H new ATOM 1204 N LEU A 76 -0.725 3.383 10.487 1.00 0.00 N ATOM 1205 CA LEU A 76 -1.968 3.355 9.726 1.00 0.00 C ATOM 1206 C LEU A 76 -3.108 3.924 10.564 1.00 0.00 C ATOM 1207 O LEU A 76 -3.391 3.430 11.656 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.304 1.925 9.284 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.369 1.333 8.232 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -1.710 -0.127 7.974 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.450 2.134 6.942 1.00 0.00 C ATOM 0 H LEU A 76 -0.619 2.610 11.144 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.838 3.969 8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.293 1.279 10.162 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.321 1.913 8.891 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.348 1.385 8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.033 -0.531 7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.605 -0.694 8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.737 -0.203 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.778 1.700 6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.472 2.111 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.158 3.166 7.136 1.00 0.00 H new ATOM 1223 N PRO A 77 -3.771 4.972 10.061 1.00 0.00 N ATOM 1224 CA PRO A 77 -4.848 5.657 10.783 1.00 0.00 C ATOM 1225 C PRO A 77 -6.199 4.948 10.681 1.00 0.00 C ATOM 1226 O PRO A 77 -7.221 5.464 11.143 1.00 0.00 O ATOM 1227 CB PRO A 77 -4.908 7.015 10.089 1.00 0.00 C ATOM 1228 CG PRO A 77 -4.487 6.737 8.684 1.00 0.00 C ATOM 1229 CD PRO A 77 -3.505 5.594 8.750 1.00 0.00 C ATOM 0 HA PRO A 77 -4.649 5.700 11.854 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.913 7.435 10.126 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.244 7.735 10.567 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.346 6.475 8.066 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.028 7.618 8.235 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.659 4.888 7.934 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.476 5.947 8.677 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.209 3.771 10.078 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.443 3.033 9.924 1.00 0.00 C ATOM 1239 C GLY A 78 -7.230 1.684 9.276 1.00 0.00 C ATOM 1240 O GLY A 78 -6.104 1.327 8.932 1.00 0.00 O ATOM 0 H GLY A 78 -5.383 3.313 9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.905 2.895 10.902 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.140 3.616 9.322 1.00 0.00 H new ATOM 1244 N GLU A 79 -8.315 0.939 9.114 1.00 0.00 N ATOM 1245 CA GLU A 79 -8.262 -0.381 8.499 1.00 0.00 C ATOM 1246 C GLU A 79 -8.709 -0.296 7.051 1.00 0.00 C ATOM 1247 O GLU A 79 -8.360 -1.137 6.228 1.00 0.00 O ATOM 1248 CB GLU A 79 -9.179 -1.346 9.244 1.00 0.00 C ATOM 1249 CG GLU A 79 -9.006 -1.306 10.748 1.00 0.00 C ATOM 1250 CD GLU A 79 -9.814 -2.369 11.451 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -11.040 -2.183 11.617 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -9.222 -3.390 11.840 1.00 0.00 O ATOM 0 H GLU A 79 -9.249 1.229 9.402 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.235 -0.744 8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.215 -1.112 8.999 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.989 -2.360 8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.952 -1.434 10.993 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.302 -0.325 11.119 1.00 0.00 H new ATOM 1259 N THR A 80 -9.490 0.733 6.758 1.00 0.00 N ATOM 1260 CA THR A 80 -10.088 0.911 5.444 1.00 0.00 C ATOM 1261 C THR A 80 -9.360 1.991 4.648 1.00 0.00 C ATOM 1262 O THR A 80 -9.966 2.721 3.859 1.00 0.00 O ATOM 1263 CB THR A 80 -11.570 1.290 5.595 1.00 0.00 C ATOM 1264 OG1 THR A 80 -11.712 2.327 6.580 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.399 0.084 6.005 1.00 0.00 C ATOM 0 H THR A 80 -9.727 1.468 7.425 1.00 0.00 H new ATOM 0 HA THR A 80 -10.002 -0.030 4.901 1.00 0.00 H new ATOM 0 HB THR A 80 -11.930 1.649 4.631 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.658 2.565 6.670 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.444 0.378 6.105 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.312 -0.693 5.245 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.037 -0.299 6.959 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.052 2.068 4.846 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.230 3.095 4.215 1.00 0.00 C ATOM 1275 C PHE A 81 -7.070 2.837 2.718 1.00 0.00 C ATOM 1276 O PHE A 81 -7.111 1.694 2.258 1.00 0.00 O ATOM 1277 CB PHE A 81 -5.853 3.158 4.886 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.100 1.858 4.847 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -5.331 0.881 5.801 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.167 1.610 3.853 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -4.647 -0.317 5.768 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.480 0.414 3.814 1.00 0.00 C ATOM 1283 CZ PHE A 81 -3.721 -0.551 4.773 1.00 0.00 C ATOM 0 H PHE A 81 -7.532 1.426 5.444 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.736 4.052 4.341 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.256 3.928 4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.979 3.463 5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.056 1.059 6.581 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.975 2.361 3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.836 -1.069 6.519 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.755 0.232 3.035 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.185 -1.488 4.744 1.00 0.00 H new ATOM 1293 N ARG A 82 -6.887 3.908 1.962 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.708 3.806 0.522 1.00 0.00 C ATOM 1295 C ARG A 82 -5.361 4.401 0.136 1.00 0.00 C ATOM 1296 O ARG A 82 -4.974 5.451 0.644 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.848 4.530 -0.202 1.00 0.00 C ATOM 1298 CG ARG A 82 -9.227 4.051 0.226 1.00 0.00 C ATOM 1299 CD ARG A 82 -10.345 4.856 -0.416 1.00 0.00 C ATOM 1300 NE ARG A 82 -10.515 4.556 -1.838 1.00 0.00 N ATOM 1301 CZ ARG A 82 -11.600 4.899 -2.540 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -12.578 5.584 -1.962 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -11.708 4.560 -3.818 1.00 0.00 N ATOM 0 H ARG A 82 -6.858 4.861 2.323 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.728 2.757 0.226 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.768 5.601 -0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.737 4.386 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.342 3.000 -0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -9.311 4.118 1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -11.279 4.653 0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.136 5.919 -0.296 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.766 4.059 -2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.503 5.850 -0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -13.405 5.845 -2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.960 4.034 -4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.539 4.825 -4.347 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.639 3.720 -0.735 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.316 4.166 -1.147 1.00 0.00 C ATOM 1319 C LEU A 83 -3.365 4.775 -2.541 1.00 0.00 C ATOM 1320 O LEU A 83 -4.069 4.278 -3.418 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.333 2.993 -1.127 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.155 2.311 0.232 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.245 1.099 0.102 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.595 3.289 1.254 1.00 0.00 C ATOM 0 H LEU A 83 -4.946 2.852 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.978 4.928 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.668 2.247 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.360 3.350 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.133 1.976 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.128 0.625 1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.684 0.387 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.269 1.415 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.476 2.785 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.626 3.656 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.281 4.128 1.368 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.623 5.849 -2.740 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.544 6.494 -4.041 1.00 0.00 C ATOM 1338 C TYR A 84 -1.163 6.289 -4.634 1.00 0.00 C ATOM 1339 O TYR A 84 -0.205 6.955 -4.239 1.00 0.00 O ATOM 1340 CB TYR A 84 -2.816 7.996 -3.938 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.168 8.363 -3.377 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -5.337 8.078 -4.071 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -4.269 9.018 -2.160 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -6.572 8.434 -3.561 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -5.496 9.381 -1.647 1.00 0.00 C ATOM 1346 CZ TYR A 84 -6.645 9.089 -2.347 1.00 0.00 C ATOM 1347 OH TYR A 84 -7.869 9.466 -1.836 1.00 0.00 O ATOM 0 H TYR A 84 -2.063 6.296 -2.014 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.303 6.043 -4.680 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.045 8.447 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.720 8.436 -4.930 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.281 7.571 -5.023 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -3.372 9.248 -1.604 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.474 8.201 -4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.556 9.893 -0.698 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.740 9.914 -0.974 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.045 5.360 -5.560 1.00 0.00 N ATOM 1358 CA TYR A 85 0.222 5.142 -6.223 1.00 0.00 C ATOM 1359 C TYR A 85 0.264 5.883 -7.556 1.00 0.00 C ATOM 1360 O TYR A 85 -0.634 5.746 -8.379 1.00 0.00 O ATOM 1361 CB TYR A 85 0.485 3.654 -6.440 1.00 0.00 C ATOM 1362 CG TYR A 85 1.772 3.414 -7.183 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.992 3.724 -6.598 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.769 2.925 -8.483 1.00 0.00 C ATOM 1365 CE1 TYR A 85 4.174 3.546 -7.284 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.946 2.753 -9.177 1.00 0.00 C ATOM 1367 CZ TYR A 85 4.143 3.064 -8.572 1.00 0.00 C ATOM 1368 OH TYR A 85 5.308 2.913 -9.269 1.00 0.00 O ATOM 0 H TYR A 85 -1.803 4.750 -5.868 1.00 0.00 H new ATOM 0 HA TYR A 85 1.007 5.535 -5.576 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.523 3.148 -5.476 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.343 3.216 -6.998 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.015 4.111 -5.590 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.831 2.676 -8.956 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.117 3.783 -6.814 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.930 2.377 -10.189 1.00 0.00 H new ATOM 0 HH TYR A 85 6.014 3.443 -8.844 1.00 0.00 H new ATOM 1378 N THR A 86 1.306 6.667 -7.764 1.00 0.00 N ATOM 1379 CA THR A 86 1.447 7.427 -8.995 1.00 0.00 C ATOM 1380 C THR A 86 2.532 6.819 -9.887 1.00 0.00 C ATOM 1381 O THR A 86 3.671 6.619 -9.451 1.00 0.00 O ATOM 1382 CB THR A 86 1.779 8.900 -8.690 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.889 9.387 -7.677 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.648 9.759 -9.940 1.00 0.00 C ATOM 0 H THR A 86 2.067 6.795 -7.097 1.00 0.00 H new ATOM 0 HA THR A 86 0.496 7.385 -9.526 1.00 0.00 H new ATOM 0 HB THR A 86 2.810 8.958 -8.341 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.099 10.324 -7.480 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.888 10.794 -9.697 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.336 9.397 -10.704 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.626 9.702 -10.315 1.00 0.00 H new ATOM 1392 N SER A 87 2.164 6.516 -11.129 1.00 0.00 N ATOM 1393 CA SER A 87 3.080 5.898 -12.082 1.00 0.00 C ATOM 1394 C SER A 87 3.670 6.948 -13.025 1.00 0.00 C ATOM 1395 O SER A 87 2.943 7.793 -13.548 1.00 0.00 O ATOM 1396 CB SER A 87 2.341 4.827 -12.886 1.00 0.00 C ATOM 1397 OG SER A 87 1.648 3.938 -12.026 1.00 0.00 O ATOM 0 H SER A 87 1.230 6.690 -11.501 1.00 0.00 H new ATOM 0 HA SER A 87 3.898 5.436 -11.530 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.637 5.301 -13.570 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.052 4.269 -13.496 1.00 0.00 H new ATOM 0 HG SER A 87 2.187 3.771 -11.225 1.00 0.00 H new ATOM 1403 N ALA A 88 4.985 6.897 -13.231 1.00 0.00 N ATOM 1404 CA ALA A 88 5.662 7.868 -14.086 1.00 0.00 C ATOM 1405 C ALA A 88 6.384 7.199 -15.261 1.00 0.00 C ATOM 1406 O ALA A 88 7.142 7.847 -15.984 1.00 0.00 O ATOM 1407 CB ALA A 88 6.642 8.688 -13.259 1.00 0.00 C ATOM 0 H ALA A 88 5.600 6.196 -12.819 1.00 0.00 H new ATOM 0 HA ALA A 88 4.902 8.525 -14.509 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.144 9.411 -13.902 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.102 9.215 -12.472 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.382 8.026 -12.810 1.00 0.00 H new ATOM 1413 N SER A 89 6.133 5.914 -15.460 1.00 0.00 N ATOM 1414 CA SER A 89 6.780 5.165 -16.527 1.00 0.00 C ATOM 1415 C SER A 89 6.038 3.850 -16.762 1.00 0.00 C ATOM 1416 O SER A 89 4.972 3.628 -16.187 1.00 0.00 O ATOM 1417 CB SER A 89 8.252 4.902 -16.181 1.00 0.00 C ATOM 1418 OG SER A 89 8.951 4.354 -17.288 1.00 0.00 O ATOM 0 H SER A 89 5.484 5.367 -14.895 1.00 0.00 H new ATOM 0 HA SER A 89 6.747 5.754 -17.444 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.727 5.833 -15.873 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.312 4.218 -15.335 1.00 0.00 H new ATOM 0 HG SER A 89 9.886 4.198 -17.040 1.00 0.00 H new ATOM 1424 N THR A 90 6.600 2.986 -17.604 1.00 0.00 N ATOM 1425 CA THR A 90 5.921 1.760 -18.001 1.00 0.00 C ATOM 1426 C THR A 90 6.809 0.512 -17.854 1.00 0.00 C ATOM 1427 O THR A 90 6.425 -0.583 -18.264 1.00 0.00 O ATOM 1428 CB THR A 90 5.416 1.878 -19.461 1.00 0.00 C ATOM 1429 OG1 THR A 90 4.573 0.766 -19.797 1.00 0.00 O ATOM 1430 CG2 THR A 90 6.582 1.947 -20.443 1.00 0.00 C ATOM 0 H THR A 90 7.521 3.114 -18.022 1.00 0.00 H new ATOM 0 HA THR A 90 5.076 1.634 -17.324 1.00 0.00 H new ATOM 0 HB THR A 90 4.840 2.801 -19.535 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.929 -0.050 -19.387 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.197 2.029 -21.459 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.198 2.818 -20.216 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.185 1.043 -20.356 1.00 0.00 H new ATOM 1438 N ASP A 91 7.988 0.659 -17.262 1.00 0.00 N ATOM 1439 CA ASP A 91 8.917 -0.471 -17.160 1.00 0.00 C ATOM 1440 C ASP A 91 8.567 -1.377 -15.966 1.00 0.00 C ATOM 1441 O ASP A 91 7.650 -1.081 -15.200 1.00 0.00 O ATOM 1442 CB ASP A 91 10.359 0.027 -17.049 1.00 0.00 C ATOM 1443 CG ASP A 91 11.343 -0.869 -17.778 1.00 0.00 C ATOM 1444 OD1 ASP A 91 11.494 -2.046 -17.382 1.00 0.00 O ATOM 1445 OD2 ASP A 91 11.969 -0.400 -18.756 1.00 0.00 O ATOM 0 H ASP A 91 8.324 1.530 -16.851 1.00 0.00 H new ATOM 0 HA ASP A 91 8.821 -1.064 -18.070 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.423 1.037 -17.455 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.639 0.088 -15.997 1.00 0.00 H new ATOM 1450 N GLN A 92 9.311 -2.467 -15.808 1.00 0.00 N ATOM 1451 CA GLN A 92 9.015 -3.481 -14.790 1.00 0.00 C ATOM 1452 C GLN A 92 9.419 -3.008 -13.393 1.00 0.00 C ATOM 1453 O GLN A 92 10.555 -2.594 -13.171 1.00 0.00 O ATOM 1454 CB GLN A 92 9.742 -4.782 -15.144 1.00 0.00 C ATOM 1455 CG GLN A 92 9.582 -5.915 -14.135 1.00 0.00 C ATOM 1456 CD GLN A 92 8.144 -6.368 -13.947 1.00 0.00 C ATOM 1457 OE1 GLN A 92 7.493 -5.860 -12.916 1.00 0.00 O flip ATOM 1458 NE2 GLN A 92 7.643 -7.211 -14.691 1.00 0.00 N flip ATOM 0 H GLN A 92 10.132 -2.676 -16.376 1.00 0.00 H new ATOM 0 HA GLN A 92 7.939 -3.654 -14.777 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.382 -5.128 -16.113 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.804 -4.566 -15.257 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.182 -6.765 -14.459 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.980 -5.592 -13.173 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.178 -7.580 -15.477 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.693 -7.541 -14.521 1.00 0.00 H new ATOM 1467 N GLN A 93 8.481 -3.082 -12.459 1.00 0.00 N ATOM 1468 CA GLN A 93 8.721 -2.648 -11.089 1.00 0.00 C ATOM 1469 C GLN A 93 8.302 -3.721 -10.083 1.00 0.00 C ATOM 1470 O GLN A 93 7.341 -4.456 -10.313 1.00 0.00 O ATOM 1471 CB GLN A 93 7.950 -1.357 -10.830 1.00 0.00 C ATOM 1472 CG GLN A 93 7.879 -0.957 -9.370 1.00 0.00 C ATOM 1473 CD GLN A 93 7.090 0.311 -9.170 1.00 0.00 C ATOM 1474 OE1 GLN A 93 7.312 1.055 -8.220 1.00 0.00 O ATOM 1475 NE2 GLN A 93 6.173 0.577 -10.079 1.00 0.00 N ATOM 0 H GLN A 93 7.541 -3.441 -12.626 1.00 0.00 H new ATOM 0 HA GLN A 93 9.789 -2.474 -10.961 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.417 -0.549 -11.394 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.936 -1.470 -11.214 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.422 -1.763 -8.795 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.888 -0.821 -8.982 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.020 -0.069 -10.854 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.616 1.429 -10.008 1.00 0.00 H new ATOM 1484 N THR A 94 9.024 -3.797 -8.970 1.00 0.00 N ATOM 1485 CA THR A 94 8.742 -4.763 -7.920 1.00 0.00 C ATOM 1486 C THR A 94 8.644 -4.058 -6.563 1.00 0.00 C ATOM 1487 O THR A 94 9.631 -3.504 -6.077 1.00 0.00 O ATOM 1488 CB THR A 94 9.852 -5.823 -7.846 1.00 0.00 C ATOM 1489 OG1 THR A 94 10.315 -6.136 -9.167 1.00 0.00 O ATOM 1490 CG2 THR A 94 9.347 -7.088 -7.170 1.00 0.00 C ATOM 0 H THR A 94 9.820 -3.190 -8.773 1.00 0.00 H new ATOM 0 HA THR A 94 7.794 -5.246 -8.156 1.00 0.00 H new ATOM 0 HB THR A 94 10.674 -5.418 -7.256 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.856 -5.393 -9.509 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.150 -7.824 -7.129 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.018 -6.853 -6.158 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.510 -7.495 -7.738 1.00 0.00 H new ATOM 1498 N VAL A 95 7.460 -4.067 -5.962 1.00 0.00 N ATOM 1499 CA VAL A 95 7.255 -3.407 -4.676 1.00 0.00 C ATOM 1500 C VAL A 95 6.796 -4.397 -3.609 1.00 0.00 C ATOM 1501 O VAL A 95 5.837 -5.148 -3.815 1.00 0.00 O ATOM 1502 CB VAL A 95 6.211 -2.268 -4.777 1.00 0.00 C ATOM 1503 CG1 VAL A 95 6.074 -1.537 -3.450 1.00 0.00 C ATOM 1504 CG2 VAL A 95 6.574 -1.294 -5.885 1.00 0.00 C ATOM 0 H VAL A 95 6.630 -4.522 -6.342 1.00 0.00 H new ATOM 0 HA VAL A 95 8.219 -2.985 -4.391 1.00 0.00 H new ATOM 0 HB VAL A 95 5.249 -2.719 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.335 -0.742 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.753 -2.238 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.036 -1.106 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 95 5.825 -0.504 -5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.550 -0.856 -5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 95 6.608 -1.823 -6.838 1.00 0.00 H new ATOM 1514 N ASP A 96 7.484 -4.398 -2.475 1.00 0.00 N ATOM 1515 CA ASP A 96 7.071 -5.201 -1.329 1.00 0.00 C ATOM 1516 C ASP A 96 6.370 -4.317 -0.308 1.00 0.00 C ATOM 1517 O ASP A 96 6.999 -3.460 0.309 1.00 0.00 O ATOM 1518 CB ASP A 96 8.271 -5.884 -0.660 1.00 0.00 C ATOM 1519 CG ASP A 96 8.898 -6.968 -1.508 1.00 0.00 C ATOM 1520 OD1 ASP A 96 8.303 -8.062 -1.626 1.00 0.00 O ATOM 1521 OD2 ASP A 96 10.007 -6.744 -2.041 1.00 0.00 O ATOM 0 H ASP A 96 8.332 -3.851 -2.323 1.00 0.00 H new ATOM 0 HA ASP A 96 6.391 -5.973 -1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.025 -5.132 -0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.951 -6.315 0.289 1.00 0.00 H new ATOM 1526 N VAL A 97 5.073 -4.507 -0.135 1.00 0.00 N ATOM 1527 CA VAL A 97 4.320 -3.709 0.821 1.00 0.00 C ATOM 1528 C VAL A 97 4.020 -4.519 2.076 1.00 0.00 C ATOM 1529 O VAL A 97 3.321 -5.530 2.023 1.00 0.00 O ATOM 1530 CB VAL A 97 2.999 -3.189 0.214 1.00 0.00 C ATOM 1531 CG1 VAL A 97 2.255 -2.310 1.207 1.00 0.00 C ATOM 1532 CG2 VAL A 97 3.263 -2.426 -1.076 1.00 0.00 C ATOM 0 H VAL A 97 4.522 -5.201 -0.639 1.00 0.00 H new ATOM 0 HA VAL A 97 4.938 -2.850 1.083 1.00 0.00 H new ATOM 0 HB VAL A 97 2.373 -4.051 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.328 -1.956 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.026 -2.887 2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.877 -1.456 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.319 -2.068 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.914 -1.576 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.746 -3.086 -1.797 1.00 0.00 H new ATOM 1542 N TYR A 98 4.563 -4.077 3.200 1.00 0.00 N ATOM 1543 CA TYR A 98 4.382 -4.770 4.467 1.00 0.00 C ATOM 1544 C TYR A 98 3.358 -4.050 5.338 1.00 0.00 C ATOM 1545 O TYR A 98 3.495 -2.854 5.604 1.00 0.00 O ATOM 1546 CB TYR A 98 5.710 -4.846 5.225 1.00 0.00 C ATOM 1547 CG TYR A 98 6.822 -5.562 4.489 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.687 -4.873 3.647 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.016 -6.922 4.655 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.713 -5.526 2.991 1.00 0.00 C ATOM 1551 CE2 TYR A 98 8.033 -7.586 4.005 1.00 0.00 C ATOM 1552 CZ TYR A 98 8.883 -6.884 3.172 1.00 0.00 C ATOM 1553 OH TYR A 98 9.908 -7.536 2.522 1.00 0.00 O ATOM 0 H TYR A 98 5.137 -3.236 3.261 1.00 0.00 H new ATOM 0 HA TYR A 98 4.024 -5.776 4.248 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.039 -3.833 5.455 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.540 -5.350 6.177 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.555 -3.811 3.503 1.00 0.00 H new ATOM 0 HD2 TYR A 98 6.356 -7.474 5.308 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.378 -4.977 2.341 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.165 -8.649 4.146 1.00 0.00 H new ATOM 0 HH TYR A 98 9.891 -8.487 2.756 1.00 0.00 H new ATOM 1563 N PHE A 99 2.337 -4.774 5.771 1.00 0.00 N ATOM 1564 CA PHE A 99 1.395 -4.254 6.754 1.00 0.00 C ATOM 1565 C PHE A 99 1.598 -4.978 8.077 1.00 0.00 C ATOM 1566 O PHE A 99 1.320 -6.168 8.190 1.00 0.00 O ATOM 1567 CB PHE A 99 -0.047 -4.434 6.276 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.372 -3.666 5.026 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.331 -2.280 5.023 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.715 -4.324 3.856 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -0.627 -1.568 3.878 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -1.012 -3.615 2.707 1.00 0.00 C ATOM 1573 CZ PHE A 99 -0.968 -2.234 2.719 1.00 0.00 C ATOM 0 H PHE A 99 2.138 -5.724 5.458 1.00 0.00 H new ATOM 0 HA PHE A 99 1.578 -3.188 6.886 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.231 -5.494 6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.725 -4.121 7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.065 -1.752 5.926 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.751 -5.403 3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.592 -0.489 3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.278 -4.140 1.801 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.200 -1.677 1.823 1.00 0.00 H new ATOM 1583 N GLN A 100 2.090 -4.259 9.069 1.00 0.00 N ATOM 1584 CA GLN A 100 2.477 -4.866 10.335 1.00 0.00 C ATOM 1585 C GLN A 100 1.554 -4.403 11.463 1.00 0.00 C ATOM 1586 O GLN A 100 1.071 -3.271 11.450 1.00 0.00 O ATOM 1587 CB GLN A 100 3.925 -4.484 10.652 1.00 0.00 C ATOM 1588 CG GLN A 100 4.524 -5.222 11.838 1.00 0.00 C ATOM 1589 CD GLN A 100 5.937 -4.767 12.144 1.00 0.00 C ATOM 1590 OE1 GLN A 100 6.149 -3.855 12.940 1.00 0.00 O ATOM 1591 NE2 GLN A 100 6.913 -5.388 11.500 1.00 0.00 N ATOM 0 H GLN A 100 2.233 -3.250 9.025 1.00 0.00 H new ATOM 0 HA GLN A 100 2.391 -5.949 10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.539 -4.676 9.772 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.971 -3.412 10.846 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.896 -5.066 12.715 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.526 -6.293 11.634 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.695 -6.141 10.847 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.883 -5.114 11.657 1.00 0.00 H new ATOM 1600 N ASP A 101 1.297 -5.280 12.424 1.00 0.00 N ATOM 1601 CA ASP A 101 0.508 -4.912 13.592 1.00 0.00 C ATOM 1602 C ASP A 101 1.383 -4.967 14.851 1.00 0.00 C ATOM 1603 O ASP A 101 2.565 -5.314 14.778 1.00 0.00 O ATOM 1604 CB ASP A 101 -0.713 -5.837 13.729 1.00 0.00 C ATOM 1605 CG ASP A 101 -0.499 -6.959 14.724 1.00 0.00 C ATOM 1606 OD1 ASP A 101 0.209 -7.932 14.395 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -1.011 -6.845 15.858 1.00 0.00 O ATOM 0 H ASP A 101 1.622 -6.247 12.418 1.00 0.00 H new ATOM 0 HA ASP A 101 0.144 -3.892 13.468 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.576 -5.247 14.036 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.949 -6.264 12.754 1.00 0.00 H new ATOM 1612 N SER A 102 0.805 -4.632 15.999 1.00 0.00 N ATOM 1613 CA SER A 102 1.550 -4.579 17.254 1.00 0.00 C ATOM 1614 C SER A 102 1.929 -5.974 17.769 1.00 0.00 C ATOM 1615 O SER A 102 2.833 -6.114 18.595 1.00 0.00 O ATOM 1616 CB SER A 102 0.733 -3.827 18.302 1.00 0.00 C ATOM 1617 OG SER A 102 -0.622 -4.254 18.298 1.00 0.00 O ATOM 0 H SER A 102 -0.182 -4.392 16.088 1.00 0.00 H new ATOM 0 HA SER A 102 2.484 -4.049 17.064 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.165 -3.989 19.289 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.781 -2.756 18.105 1.00 0.00 H new ATOM 0 HG SER A 102 -1.085 -3.881 19.077 1.00 0.00 H new ATOM 1623 N PHE A 103 1.244 -7.003 17.282 1.00 0.00 N ATOM 1624 CA PHE A 103 1.538 -8.375 17.682 1.00 0.00 C ATOM 1625 C PHE A 103 2.754 -8.898 16.925 1.00 0.00 C ATOM 1626 O PHE A 103 3.412 -9.847 17.355 1.00 0.00 O ATOM 1627 CB PHE A 103 0.320 -9.275 17.432 1.00 0.00 C ATOM 1628 CG PHE A 103 0.550 -10.726 17.755 1.00 0.00 C ATOM 1629 CD1 PHE A 103 0.633 -11.155 19.071 1.00 0.00 C ATOM 1630 CD2 PHE A 103 0.679 -11.663 16.740 1.00 0.00 C ATOM 1631 CE1 PHE A 103 0.842 -12.489 19.367 1.00 0.00 C ATOM 1632 CE2 PHE A 103 0.889 -12.999 17.031 1.00 0.00 C ATOM 1633 CZ PHE A 103 0.970 -13.412 18.346 1.00 0.00 C ATOM 0 H PHE A 103 0.482 -6.914 16.610 1.00 0.00 H new ATOM 0 HA PHE A 103 1.764 -8.388 18.748 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.516 -8.910 18.028 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.027 -9.189 16.386 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.533 -10.439 19.873 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.615 -11.345 15.710 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.905 -12.810 20.396 1.00 0.00 H new ATOM 0 HE2 PHE A 103 0.989 -13.718 16.231 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.133 -14.454 18.576 1.00 0.00 H new ATOM 1643 N GLY A 104 3.057 -8.265 15.806 1.00 0.00 N ATOM 1644 CA GLY A 104 4.184 -8.685 15.006 1.00 0.00 C ATOM 1645 C GLY A 104 3.741 -9.435 13.774 1.00 0.00 C ATOM 1646 O GLY A 104 4.567 -9.889 12.978 1.00 0.00 O ATOM 0 H GLY A 104 2.542 -7.466 15.436 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.767 -7.813 14.712 1.00 0.00 H new ATOM 0 HA3 GLY A 104 4.839 -9.320 15.603 1.00 0.00 H new ATOM 1650 N GLN A 105 2.434 -9.562 13.616 1.00 0.00 N ATOM 1651 CA GLN A 105 1.863 -10.193 12.444 1.00 0.00 C ATOM 1652 C GLN A 105 1.899 -9.209 11.290 1.00 0.00 C ATOM 1653 O GLN A 105 1.258 -8.158 11.339 1.00 0.00 O ATOM 1654 CB GLN A 105 0.422 -10.636 12.718 1.00 0.00 C ATOM 1655 CG GLN A 105 -0.287 -11.219 11.502 1.00 0.00 C ATOM 1656 CD GLN A 105 -1.744 -11.554 11.770 1.00 0.00 C ATOM 1657 OE1 GLN A 105 -2.377 -10.795 12.653 1.00 0.00 O flip ATOM 1658 NE2 GLN A 105 -2.303 -12.480 11.179 1.00 0.00 N flip ATOM 0 H GLN A 105 1.746 -9.232 14.293 1.00 0.00 H new ATOM 0 HA GLN A 105 2.445 -11.079 12.191 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.426 -11.380 13.515 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.147 -9.781 13.083 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -0.229 -10.507 10.678 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.235 -12.121 11.182 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.783 -13.043 10.506 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.285 -12.683 11.363 1.00 0.00 H new ATOM 1667 N LEU A 106 2.676 -9.518 10.272 1.00 0.00 N ATOM 1668 CA LEU A 106 2.766 -8.638 9.133 1.00 0.00 C ATOM 1669 C LEU A 106 2.268 -9.344 7.884 1.00 0.00 C ATOM 1670 O LEU A 106 2.529 -10.530 7.673 1.00 0.00 O ATOM 1671 CB LEU A 106 4.201 -8.103 8.959 1.00 0.00 C ATOM 1672 CG LEU A 106 5.257 -9.088 8.436 1.00 0.00 C ATOM 1673 CD1 LEU A 106 5.274 -9.098 6.919 1.00 0.00 C ATOM 1674 CD2 LEU A 106 6.632 -8.732 8.980 1.00 0.00 C ATOM 0 H LEU A 106 3.246 -10.362 10.213 1.00 0.00 H new ATOM 0 HA LEU A 106 2.124 -7.774 9.306 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.165 -7.253 8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.540 -7.724 9.923 1.00 0.00 H new ATOM 0 HG LEU A 106 4.995 -10.088 8.783 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.029 -9.802 6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.295 -9.400 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.510 -8.100 6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.368 -9.440 8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.899 -7.724 8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.615 -8.776 10.069 1.00 0.00 H new ATOM 1686 N GLN A 107 1.534 -8.610 7.076 1.00 0.00 N ATOM 1687 CA GLN A 107 1.023 -9.125 5.828 1.00 0.00 C ATOM 1688 C GLN A 107 1.764 -8.461 4.689 1.00 0.00 C ATOM 1689 O GLN A 107 1.613 -7.264 4.448 1.00 0.00 O ATOM 1690 CB GLN A 107 -0.473 -8.851 5.715 1.00 0.00 C ATOM 1691 CG GLN A 107 -1.294 -9.496 6.819 1.00 0.00 C ATOM 1692 CD GLN A 107 -1.355 -11.007 6.703 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -0.533 -11.726 7.276 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -2.332 -11.498 5.961 1.00 0.00 N ATOM 0 H GLN A 107 1.276 -7.642 7.267 1.00 0.00 H new ATOM 0 HA GLN A 107 1.174 -10.204 5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.639 -7.774 5.732 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.828 -9.213 4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.868 -9.228 7.786 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.307 -9.094 6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.991 -10.868 5.504 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.427 -12.507 5.845 1.00 0.00 H new ATOM 1703 N GLN A 108 2.594 -9.232 4.021 1.00 0.00 N ATOM 1704 CA GLN A 108 3.397 -8.702 2.937 1.00 0.00 C ATOM 1705 C GLN A 108 2.723 -8.954 1.597 1.00 0.00 C ATOM 1706 O GLN A 108 2.513 -10.097 1.187 1.00 0.00 O ATOM 1707 CB GLN A 108 4.814 -9.290 2.957 1.00 0.00 C ATOM 1708 CG GLN A 108 4.877 -10.801 2.800 1.00 0.00 C ATOM 1709 CD GLN A 108 6.301 -11.312 2.734 1.00 0.00 C ATOM 1710 OE1 GLN A 108 7.204 -10.754 3.356 1.00 0.00 O ATOM 1711 NE2 GLN A 108 6.512 -12.372 1.972 1.00 0.00 N ATOM 0 H GLN A 108 2.731 -10.225 4.207 1.00 0.00 H new ATOM 0 HA GLN A 108 3.484 -7.625 3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.395 -8.831 2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.293 -9.016 3.897 1.00 0.00 H new ATOM 0 HG2 GLN A 108 4.362 -11.273 3.637 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.346 -11.093 1.894 1.00 0.00 H new ATOM 0 HE21 GLN A 108 5.734 -12.804 1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.452 -12.757 1.883 1.00 0.00 H new ATOM 1720 N LEU A 109 2.361 -7.878 0.933 1.00 0.00 N ATOM 1721 CA LEU A 109 1.749 -7.968 -0.376 1.00 0.00 C ATOM 1722 C LEU A 109 2.761 -7.567 -1.436 1.00 0.00 C ATOM 1723 O LEU A 109 3.287 -6.453 -1.418 1.00 0.00 O ATOM 1724 CB LEU A 109 0.508 -7.074 -0.451 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.558 -7.340 0.619 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.727 -6.385 0.452 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -1.043 -8.782 0.556 1.00 0.00 C ATOM 0 H LEU A 109 2.480 -6.926 1.280 1.00 0.00 H new ATOM 0 HA LEU A 109 1.434 -8.996 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.825 -6.034 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.051 -7.196 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.105 -7.173 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.474 -6.587 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.375 -5.358 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.172 -6.523 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.798 -8.946 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.475 -8.978 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.203 -9.456 0.724 1.00 0.00 H new ATOM 1739 N THR A 110 3.048 -8.483 -2.343 1.00 0.00 N ATOM 1740 CA THR A 110 4.012 -8.230 -3.392 1.00 0.00 C ATOM 1741 C THR A 110 3.307 -7.702 -4.633 1.00 0.00 C ATOM 1742 O THR A 110 2.495 -8.399 -5.242 1.00 0.00 O ATOM 1743 CB THR A 110 4.793 -9.509 -3.742 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.313 -10.094 -2.541 1.00 0.00 O ATOM 1745 CG2 THR A 110 5.936 -9.208 -4.701 1.00 0.00 C ATOM 0 H THR A 110 2.625 -9.411 -2.372 1.00 0.00 H new ATOM 0 HA THR A 110 4.718 -7.482 -3.031 1.00 0.00 H new ATOM 0 HB THR A 110 4.112 -10.206 -4.231 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.809 -10.910 -2.763 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.470 -10.130 -4.931 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.536 -8.781 -5.621 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.621 -8.497 -4.239 1.00 0.00 H new ATOM 1753 N PHE A 111 3.602 -6.463 -4.988 1.00 0.00 N ATOM 1754 CA PHE A 111 2.967 -5.832 -6.128 1.00 0.00 C ATOM 1755 C PHE A 111 3.950 -5.654 -7.271 1.00 0.00 C ATOM 1756 O PHE A 111 4.976 -4.985 -7.127 1.00 0.00 O ATOM 1757 CB PHE A 111 2.388 -4.471 -5.743 1.00 0.00 C ATOM 1758 CG PHE A 111 1.225 -4.540 -4.798 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.032 -4.905 -5.250 1.00 0.00 C ATOM 1760 CD2 PHE A 111 1.389 -4.236 -3.458 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.105 -4.967 -4.383 1.00 0.00 C ATOM 1762 CE2 PHE A 111 0.320 -4.295 -2.586 1.00 0.00 C ATOM 1763 CZ PHE A 111 -0.928 -4.662 -3.048 1.00 0.00 C ATOM 0 H PHE A 111 4.278 -5.875 -4.501 1.00 0.00 H new ATOM 0 HA PHE A 111 2.159 -6.487 -6.454 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.175 -3.870 -5.288 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.074 -3.953 -6.649 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.175 -5.144 -6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.363 -3.950 -3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.080 -5.253 -4.748 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.460 -4.054 -1.543 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.764 -4.710 -2.366 1.00 0.00 H new ATOM 1773 N SER A 112 3.641 -6.271 -8.397 1.00 0.00 N ATOM 1774 CA SER A 112 4.385 -6.037 -9.617 1.00 0.00 C ATOM 1775 C SER A 112 3.694 -4.926 -10.392 1.00 0.00 C ATOM 1776 O SER A 112 2.605 -5.118 -10.939 1.00 0.00 O ATOM 1777 CB SER A 112 4.459 -7.318 -10.451 1.00 0.00 C ATOM 1778 OG SER A 112 5.265 -7.148 -11.605 1.00 0.00 O ATOM 0 H SER A 112 2.877 -6.940 -8.490 1.00 0.00 H new ATOM 0 HA SER A 112 5.407 -5.739 -9.381 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.863 -8.126 -9.841 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.454 -7.616 -10.750 1.00 0.00 H new ATOM 0 HG SER A 112 5.962 -6.484 -11.422 1.00 0.00 H new ATOM 1784 N PHE A 113 4.314 -3.760 -10.415 1.00 0.00 N ATOM 1785 CA PHE A 113 3.702 -2.592 -11.024 1.00 0.00 C ATOM 1786 C PHE A 113 4.337 -2.261 -12.362 1.00 0.00 C ATOM 1787 O PHE A 113 5.441 -2.710 -12.676 1.00 0.00 O ATOM 1788 CB PHE A 113 3.802 -1.371 -10.110 1.00 0.00 C ATOM 1789 CG PHE A 113 2.821 -1.360 -8.972 1.00 0.00 C ATOM 1790 CD1 PHE A 113 1.462 -1.490 -9.208 1.00 0.00 C ATOM 1791 CD2 PHE A 113 3.258 -1.203 -7.667 1.00 0.00 C ATOM 1792 CE1 PHE A 113 0.556 -1.469 -8.163 1.00 0.00 C ATOM 1793 CE2 PHE A 113 2.357 -1.176 -6.619 1.00 0.00 C ATOM 1794 CZ PHE A 113 1.004 -1.310 -6.868 1.00 0.00 C ATOM 0 H PHE A 113 5.240 -3.596 -10.020 1.00 0.00 H new ATOM 0 HA PHE A 113 2.652 -2.839 -11.181 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.812 -1.320 -9.703 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.654 -0.472 -10.709 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.106 -1.609 -10.220 1.00 0.00 H new ATOM 0 HD2 PHE A 113 4.314 -1.101 -7.466 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.500 -1.577 -8.361 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.710 -1.050 -5.606 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.299 -1.290 -6.050 1.00 0.00 H new