USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 790 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 84 THR OG1 : rot 180:sc= -0.749 USER MOD Set 1.2: A 87 GLN : amide:sc= -0.298 X(o=-1,f=-0.75) USER MOD Set 2.1: A 75 HIS : no HE2:sc= -0.0975 K(o=-1,f=-4.1!) USER MOD Set 2.2: A 78 SER OG : rot -40:sc= -0.916 USER MOD Set 3.1: A 71 THR OG1 : rot -130:sc= 0 USER MOD Set 3.2: A 110 MET CE :methyl -173:sc= -0.223 (180deg=-0.303) USER MOD Set 4.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 39 GLN : amide:sc= -0.849 X(o=-0.85,f=-0.85) USER MOD Single : A 15 MET CE :methyl 156:sc= -1.1 (180deg=-1.82!) USER MOD Single : A 18 GLN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 21 CYS SG : rot -0:sc= -2.32! USER MOD Single : A 26 THR OG1 : rot 176:sc= -0.0888 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 79:sc= 0.16 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -177:sc= -0.607 (180deg=-0.614) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.039) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.944! X(o=-0.94!,f=-0.99) USER MOD Single : A 70 GLN : amide:sc= -0.68 K(o=-0.68,f=-2.2!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -15:sc= -0.0339 USER MOD Single : A 90 GLN : amide:sc=-0.00144 X(o=-0.0014,f=0) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.0042 F(o=-1,f=-0.0042) USER MOD Single : A 97 LYS NZ :NH3+ -161:sc= -0.159 (180deg=-0.617) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 14 19.036 -19.541 6.348 1.00 0.00 N ATOM 172 CA ILE A 14 17.698 -18.997 6.156 1.00 0.00 C ATOM 173 C ILE A 14 17.751 -17.507 5.836 1.00 0.00 C ATOM 174 O ILE A 14 18.372 -16.728 6.558 1.00 0.00 O ATOM 175 CB ILE A 14 16.818 -19.212 7.402 1.00 0.00 C ATOM 176 CG1 ILE A 14 16.714 -20.703 7.728 1.00 0.00 C ATOM 177 CG2 ILE A 14 15.437 -18.613 7.185 1.00 0.00 C ATOM 178 CD1 ILE A 14 16.157 -20.982 9.106 1.00 0.00 C ATOM 0 HA ILE A 14 17.258 -19.532 5.314 1.00 0.00 H new ATOM 0 HB ILE A 14 17.282 -18.706 8.249 1.00 0.00 H new ATOM 0 HG12 ILE A 14 16.080 -21.186 6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 14 17.703 -21.154 7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 14 14.827 -18.773 8.074 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.530 -17.543 6.996 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.963 -19.093 6.329 1.00 0.00 H new ATOM 0 HD11 ILE A 14 16.111 -22.059 9.269 1.00 0.00 H new ATOM 0 HD12 ILE A 14 16.802 -20.528 9.858 1.00 0.00 H new ATOM 0 HD13 ILE A 14 15.155 -20.560 9.186 1.00 0.00 H new ATOM 190 N MET A 15 17.093 -17.117 4.748 1.00 0.00 N ATOM 191 CA MET A 15 17.063 -15.719 4.334 1.00 0.00 C ATOM 192 C MET A 15 15.682 -15.113 4.565 1.00 0.00 C ATOM 193 O MET A 15 14.662 -15.741 4.276 1.00 0.00 O ATOM 194 CB MET A 15 17.448 -15.594 2.859 1.00 0.00 C ATOM 195 CG MET A 15 16.496 -16.317 1.919 1.00 0.00 C ATOM 196 SD MET A 15 17.083 -16.334 0.215 1.00 0.00 S ATOM 197 CE MET A 15 16.815 -18.051 -0.219 1.00 0.00 C ATOM 0 H MET A 15 16.574 -17.749 4.138 1.00 0.00 H new ATOM 0 HA MET A 15 17.786 -15.171 4.938 1.00 0.00 H new ATOM 0 HB2 MET A 15 17.481 -14.539 2.589 1.00 0.00 H new ATOM 0 HB3 MET A 15 18.454 -15.990 2.720 1.00 0.00 H new ATOM 0 HG2 MET A 15 16.361 -17.342 2.263 1.00 0.00 H new ATOM 0 HG3 MET A 15 15.518 -15.836 1.958 1.00 0.00 H new ATOM 0 HE1 MET A 15 16.714 -18.141 -1.301 1.00 0.00 H new ATOM 0 HE2 MET A 15 17.663 -18.648 0.118 1.00 0.00 H new ATOM 0 HE3 MET A 15 15.905 -18.410 0.261 1.00 0.00 H new ATOM 207 N THR A 16 15.656 -13.891 5.086 1.00 0.00 N ATOM 208 CA THR A 16 14.401 -13.202 5.358 1.00 0.00 C ATOM 209 C THR A 16 14.002 -12.306 4.190 1.00 0.00 C ATOM 210 O THR A 16 14.638 -11.283 3.934 1.00 0.00 O ATOM 211 CB THR A 16 14.493 -12.348 6.636 1.00 0.00 C ATOM 212 OG1 THR A 16 14.967 -13.147 7.726 1.00 0.00 O ATOM 213 CG2 THR A 16 13.137 -11.754 6.989 1.00 0.00 C ATOM 0 H THR A 16 16.491 -13.357 5.328 1.00 0.00 H new ATOM 0 HA THR A 16 13.642 -13.972 5.499 1.00 0.00 H new ATOM 0 HB THR A 16 15.193 -11.533 6.452 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.024 -12.596 8.535 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.227 -11.155 7.895 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.792 -11.123 6.170 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.420 -12.558 7.155 1.00 0.00 H new ATOM 221 N LEU A 17 12.946 -12.697 3.485 1.00 0.00 N ATOM 222 CA LEU A 17 12.462 -11.929 2.344 1.00 0.00 C ATOM 223 C LEU A 17 11.084 -11.339 2.630 1.00 0.00 C ATOM 224 O LEU A 17 10.103 -12.068 2.765 1.00 0.00 O ATOM 225 CB LEU A 17 12.402 -12.812 1.097 1.00 0.00 C ATOM 226 CG LEU A 17 13.651 -12.814 0.215 1.00 0.00 C ATOM 227 CD1 LEU A 17 14.859 -13.299 1.002 1.00 0.00 C ATOM 228 CD2 LEU A 17 13.433 -13.680 -1.018 1.00 0.00 C ATOM 0 H LEU A 17 12.409 -13.541 3.684 1.00 0.00 H new ATOM 0 HA LEU A 17 13.159 -11.110 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.202 -13.836 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.554 -12.493 0.491 1.00 0.00 H new ATOM 0 HG LEU A 17 13.842 -11.792 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.739 -13.294 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.028 -12.639 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.677 -14.312 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.332 -13.669 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.216 -14.703 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.594 -13.289 -1.594 1.00 0.00 H new ATOM 240 N GLN A 18 11.020 -10.015 2.717 1.00 0.00 N ATOM 241 CA GLN A 18 9.762 -9.326 2.985 1.00 0.00 C ATOM 242 C GLN A 18 9.235 -8.645 1.726 1.00 0.00 C ATOM 243 O GLN A 18 9.645 -7.541 1.370 1.00 0.00 O ATOM 244 CB GLN A 18 9.948 -8.294 4.097 1.00 0.00 C ATOM 245 CG GLN A 18 11.105 -7.339 3.855 1.00 0.00 C ATOM 246 CD GLN A 18 11.374 -6.435 5.042 1.00 0.00 C ATOM 247 OE1 GLN A 18 11.295 -5.210 4.934 1.00 0.00 O ATOM 248 NE2 GLN A 18 11.694 -7.034 6.182 1.00 0.00 N ATOM 0 H GLN A 18 11.824 -9.397 2.606 1.00 0.00 H new ATOM 0 HA GLN A 18 9.032 -10.069 3.307 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.029 -7.718 4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.109 -8.815 5.041 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.004 -7.913 3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.889 -6.727 2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.748 -8.052 6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.886 -6.477 7.014 1.00 0.00 H new ATOM 257 N PRO A 19 8.304 -9.319 1.034 1.00 0.00 N ATOM 258 CA PRO A 19 7.700 -8.797 -0.196 1.00 0.00 C ATOM 259 C PRO A 19 6.785 -7.608 0.067 1.00 0.00 C ATOM 260 O PRO A 19 5.734 -7.747 0.693 1.00 0.00 O ATOM 261 CB PRO A 19 6.894 -9.986 -0.727 1.00 0.00 C ATOM 262 CG PRO A 19 6.591 -10.806 0.478 1.00 0.00 C ATOM 263 CD PRO A 19 7.768 -10.641 1.399 1.00 0.00 C ATOM 0 HA PRO A 19 8.451 -8.428 -0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.980 -9.656 -1.221 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.465 -10.556 -1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.671 -10.471 0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.448 -11.853 0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.467 -10.678 2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.507 -11.429 1.252 1.00 0.00 H new ATOM 271 N ARG A 20 7.189 -6.437 -0.415 1.00 0.00 N ATOM 272 CA ARG A 20 6.405 -5.222 -0.231 1.00 0.00 C ATOM 273 C ARG A 20 5.880 -4.706 -1.567 1.00 0.00 C ATOM 274 O ARG A 20 6.625 -4.616 -2.545 1.00 0.00 O ATOM 275 CB ARG A 20 7.249 -4.142 0.449 1.00 0.00 C ATOM 276 CG ARG A 20 6.678 -2.742 0.304 1.00 0.00 C ATOM 277 CD ARG A 20 7.644 -1.689 0.828 1.00 0.00 C ATOM 278 NE ARG A 20 7.603 -1.588 2.284 1.00 0.00 N ATOM 279 CZ ARG A 20 8.611 -1.126 3.017 1.00 0.00 C ATOM 280 NH1 ARG A 20 9.731 -0.726 2.432 1.00 0.00 N ATOM 281 NH2 ARG A 20 8.498 -1.064 4.337 1.00 0.00 N ATOM 0 H ARG A 20 8.056 -6.304 -0.936 1.00 0.00 H new ATOM 0 HA ARG A 20 5.554 -5.463 0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.342 -4.379 1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.255 -4.160 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.457 -2.545 -0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.735 -2.674 0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.657 -1.935 0.510 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.399 -0.721 0.390 1.00 0.00 H new ATOM 0 HE ARG A 20 6.755 -1.888 2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.821 -0.772 1.417 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.503 -0.372 2.997 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.637 -1.371 4.790 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.272 -0.709 4.899 1.00 0.00 H new ATOM 295 N CYS A 21 4.595 -4.370 -1.603 1.00 0.00 N ATOM 296 CA CYS A 21 3.970 -3.864 -2.819 1.00 0.00 C ATOM 297 C CYS A 21 3.578 -2.398 -2.661 1.00 0.00 C ATOM 298 O CYS A 21 3.083 -1.990 -1.612 1.00 0.00 O ATOM 299 CB CYS A 21 2.738 -4.699 -3.170 1.00 0.00 C ATOM 300 SG CYS A 21 3.085 -6.110 -4.247 1.00 0.00 S ATOM 0 H CYS A 21 3.966 -4.439 -0.803 1.00 0.00 H new ATOM 0 HA CYS A 21 4.695 -3.941 -3.629 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.284 -5.062 -2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.003 -4.057 -3.656 1.00 0.00 H new ATOM 0 HG CYS A 21 4.354 -6.139 -4.528 1.00 0.00 H new ATOM 306 N GLU A 22 3.805 -1.614 -3.710 1.00 0.00 N ATOM 307 CA GLU A 22 3.478 -0.193 -3.685 1.00 0.00 C ATOM 308 C GLU A 22 2.643 0.194 -4.903 1.00 0.00 C ATOM 309 O GLU A 22 2.755 -0.417 -5.965 1.00 0.00 O ATOM 310 CB GLU A 22 4.755 0.647 -3.640 1.00 0.00 C ATOM 311 CG GLU A 22 5.662 0.312 -2.467 1.00 0.00 C ATOM 312 CD GLU A 22 6.997 1.030 -2.539 1.00 0.00 C ATOM 313 OE1 GLU A 22 7.045 2.133 -3.123 1.00 0.00 O ATOM 314 OE2 GLU A 22 7.991 0.490 -2.011 1.00 0.00 O ATOM 0 H GLU A 22 4.213 -1.938 -4.587 1.00 0.00 H new ATOM 0 HA GLU A 22 2.892 0.003 -2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.308 0.503 -4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.485 1.702 -3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.160 0.578 -1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.833 -0.764 -2.440 1.00 0.00 H new ATOM 321 N ASP A 23 1.808 1.215 -4.740 1.00 0.00 N ATOM 322 CA ASP A 23 0.956 1.685 -5.826 1.00 0.00 C ATOM 323 C ASP A 23 0.264 0.515 -6.519 1.00 0.00 C ATOM 324 O ASP A 23 0.291 0.403 -7.744 1.00 0.00 O ATOM 325 CB ASP A 23 1.778 2.481 -6.840 1.00 0.00 C ATOM 326 CG ASP A 23 3.079 1.792 -7.199 1.00 0.00 C ATOM 327 OD1 ASP A 23 4.019 1.834 -6.379 1.00 0.00 O ATOM 328 OD2 ASP A 23 3.158 1.210 -8.303 1.00 0.00 O ATOM 0 H ASP A 23 1.703 1.732 -3.867 1.00 0.00 H new ATOM 0 HA ASP A 23 0.192 2.335 -5.400 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.188 2.631 -7.744 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.994 3.469 -6.433 1.00 0.00 H new ATOM 333 N VAL A 24 -0.355 -0.354 -5.726 1.00 0.00 N ATOM 334 CA VAL A 24 -1.055 -1.515 -6.263 1.00 0.00 C ATOM 335 C VAL A 24 -2.565 -1.317 -6.216 1.00 0.00 C ATOM 336 O VAL A 24 -3.177 -1.391 -5.150 1.00 0.00 O ATOM 337 CB VAL A 24 -0.691 -2.797 -5.490 1.00 0.00 C ATOM 338 CG1 VAL A 24 0.794 -3.099 -5.626 1.00 0.00 C ATOM 339 CG2 VAL A 24 -1.085 -2.666 -4.027 1.00 0.00 C ATOM 0 H VAL A 24 -0.386 -0.276 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.739 -1.623 -7.300 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.247 -3.630 -5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.033 -4.008 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.042 -3.238 -6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.373 -2.267 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.821 -3.580 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.557 -1.822 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.160 -2.501 -3.953 1.00 0.00 H new ATOM 349 N GLU A 25 -3.161 -1.066 -7.377 1.00 0.00 N ATOM 350 CA GLU A 25 -4.601 -0.858 -7.467 1.00 0.00 C ATOM 351 C GLU A 25 -5.361 -2.090 -6.983 1.00 0.00 C ATOM 352 O GLU A 25 -5.122 -3.204 -7.451 1.00 0.00 O ATOM 353 CB GLU A 25 -5.003 -0.529 -8.906 1.00 0.00 C ATOM 354 CG GLU A 25 -4.367 0.743 -9.440 1.00 0.00 C ATOM 355 CD GLU A 25 -5.006 1.218 -10.731 1.00 0.00 C ATOM 356 OE1 GLU A 25 -5.250 0.374 -11.618 1.00 0.00 O ATOM 357 OE2 GLU A 25 -5.261 2.434 -10.854 1.00 0.00 O ATOM 0 H GLU A 25 -2.669 -1.002 -8.268 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.861 -0.017 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.726 -1.362 -9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.087 -0.433 -8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.448 1.528 -8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.304 0.571 -9.607 1.00 0.00 H new ATOM 364 N THR A 26 -6.278 -1.882 -6.044 1.00 0.00 N ATOM 365 CA THR A 26 -7.071 -2.976 -5.495 1.00 0.00 C ATOM 366 C THR A 26 -8.156 -3.411 -6.473 1.00 0.00 C ATOM 367 O THR A 26 -8.225 -2.919 -7.599 1.00 0.00 O ATOM 368 CB THR A 26 -7.728 -2.578 -4.160 1.00 0.00 C ATOM 369 OG1 THR A 26 -8.487 -1.375 -4.327 1.00 0.00 O ATOM 370 CG2 THR A 26 -6.677 -2.375 -3.079 1.00 0.00 C ATOM 0 H THR A 26 -6.490 -0.967 -5.647 1.00 0.00 H new ATOM 0 HA THR A 26 -6.387 -3.807 -5.321 1.00 0.00 H new ATOM 0 HB THR A 26 -8.392 -3.386 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.954 -1.164 -3.492 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.165 -2.095 -2.145 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.121 -3.301 -2.934 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.991 -1.584 -3.382 1.00 0.00 H new ATOM 378 N ALA A 27 -9.003 -4.337 -6.036 1.00 0.00 N ATOM 379 CA ALA A 27 -10.087 -4.838 -6.872 1.00 0.00 C ATOM 380 C ALA A 27 -10.811 -3.694 -7.574 1.00 0.00 C ATOM 381 O ALA A 27 -10.916 -3.673 -8.800 1.00 0.00 O ATOM 382 CB ALA A 27 -11.066 -5.651 -6.037 1.00 0.00 C ATOM 0 H ALA A 27 -8.959 -4.756 -5.107 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.655 -5.484 -7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.870 -6.019 -6.674 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.545 -6.496 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.485 -5.022 -5.252 1.00 0.00 H new ATOM 388 N GLU A 28 -11.309 -2.744 -6.789 1.00 0.00 N ATOM 389 CA GLU A 28 -12.025 -1.598 -7.337 1.00 0.00 C ATOM 390 C GLU A 28 -11.090 -0.715 -8.158 1.00 0.00 C ATOM 391 O GLU A 28 -11.445 -0.259 -9.245 1.00 0.00 O ATOM 392 CB GLU A 28 -12.660 -0.778 -6.211 1.00 0.00 C ATOM 393 CG GLU A 28 -11.655 -0.259 -5.196 1.00 0.00 C ATOM 394 CD GLU A 28 -12.300 0.595 -4.121 1.00 0.00 C ATOM 395 OE1 GLU A 28 -12.724 1.726 -4.437 1.00 0.00 O ATOM 396 OE2 GLU A 28 -12.380 0.131 -2.964 1.00 0.00 O ATOM 0 H GLU A 28 -11.230 -2.745 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.812 -1.973 -7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.195 0.067 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.399 -1.393 -5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.147 -1.103 -4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.893 0.326 -5.711 1.00 0.00 H new ATOM 403 N GLY A 29 -9.893 -0.478 -7.632 1.00 0.00 N ATOM 404 CA GLY A 29 -8.926 0.349 -8.328 1.00 0.00 C ATOM 405 C GLY A 29 -8.263 1.361 -7.415 1.00 0.00 C ATOM 406 O GLY A 29 -8.072 2.517 -7.792 1.00 0.00 O ATOM 0 H GLY A 29 -9.575 -0.845 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.162 -0.288 -8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.422 0.872 -9.146 1.00 0.00 H new ATOM 410 N VAL A 30 -7.914 0.927 -6.208 1.00 0.00 N ATOM 411 CA VAL A 30 -7.269 1.803 -5.237 1.00 0.00 C ATOM 412 C VAL A 30 -5.842 1.350 -4.950 1.00 0.00 C ATOM 413 O VAL A 30 -5.610 0.206 -4.559 1.00 0.00 O ATOM 414 CB VAL A 30 -8.057 1.851 -3.915 1.00 0.00 C ATOM 415 CG1 VAL A 30 -7.319 2.692 -2.884 1.00 0.00 C ATOM 416 CG2 VAL A 30 -9.460 2.390 -4.150 1.00 0.00 C ATOM 0 H VAL A 30 -8.067 -0.026 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.248 2.801 -5.675 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.143 0.836 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.891 2.715 -1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.338 2.257 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.199 3.708 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.002 2.417 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.399 3.397 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.986 1.743 -4.852 1.00 0.00 H new ATOM 426 N ALA A 31 -4.889 2.255 -5.147 1.00 0.00 N ATOM 427 CA ALA A 31 -3.484 1.949 -4.907 1.00 0.00 C ATOM 428 C ALA A 31 -3.197 1.823 -3.415 1.00 0.00 C ATOM 429 O ALA A 31 -3.402 2.768 -2.650 1.00 0.00 O ATOM 430 CB ALA A 31 -2.597 3.017 -5.529 1.00 0.00 C ATOM 0 H ALA A 31 -5.064 3.206 -5.472 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.262 0.990 -5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.551 2.775 -5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.774 3.056 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.830 3.986 -5.088 1.00 0.00 H new ATOM 436 N LEU A 32 -2.721 0.653 -3.005 1.00 0.00 N ATOM 437 CA LEU A 32 -2.407 0.404 -1.602 1.00 0.00 C ATOM 438 C LEU A 32 -0.934 0.043 -1.430 1.00 0.00 C ATOM 439 O LEU A 32 -0.246 -0.280 -2.400 1.00 0.00 O ATOM 440 CB LEU A 32 -3.287 -0.721 -1.054 1.00 0.00 C ATOM 441 CG LEU A 32 -4.604 -0.289 -0.409 1.00 0.00 C ATOM 442 CD1 LEU A 32 -4.340 0.527 0.847 1.00 0.00 C ATOM 443 CD2 LEU A 32 -5.445 0.506 -1.397 1.00 0.00 C ATOM 0 H LEU A 32 -2.544 -0.138 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.606 1.318 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.513 -1.408 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.711 -1.280 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.160 -1.183 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.289 0.826 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.778 -0.075 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.764 1.416 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.379 0.806 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.896 1.394 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.663 -0.111 -2.268 1.00 0.00 H new ATOM 455 N THR A 33 -0.457 0.098 -0.191 1.00 0.00 N ATOM 456 CA THR A 33 0.932 -0.225 0.108 1.00 0.00 C ATOM 457 C THR A 33 1.029 -1.255 1.227 1.00 0.00 C ATOM 458 O THR A 33 0.686 -0.975 2.375 1.00 0.00 O ATOM 459 CB THR A 33 1.725 1.031 0.514 1.00 0.00 C ATOM 460 OG1 THR A 33 1.481 2.089 -0.421 1.00 0.00 O ATOM 461 CG2 THR A 33 3.216 0.735 0.572 1.00 0.00 C ATOM 0 H THR A 33 -1.013 0.363 0.622 1.00 0.00 H new ATOM 0 HA THR A 33 1.363 -0.640 -0.803 1.00 0.00 H new ATOM 0 HB THR A 33 1.392 1.338 1.505 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.988 2.884 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.755 1.637 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.403 -0.050 1.305 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.560 0.405 -0.408 1.00 0.00 H new ATOM 469 N VAL A 34 1.500 -2.451 0.885 1.00 0.00 N ATOM 470 CA VAL A 34 1.643 -3.524 1.861 1.00 0.00 C ATOM 471 C VAL A 34 3.092 -3.990 1.956 1.00 0.00 C ATOM 472 O VAL A 34 3.654 -4.510 0.993 1.00 0.00 O ATOM 473 CB VAL A 34 0.751 -4.729 1.507 1.00 0.00 C ATOM 474 CG1 VAL A 34 0.906 -5.832 2.543 1.00 0.00 C ATOM 475 CG2 VAL A 34 -0.703 -4.298 1.390 1.00 0.00 C ATOM 0 H VAL A 34 1.789 -2.700 -0.061 1.00 0.00 H new ATOM 0 HA VAL A 34 1.329 -3.120 2.823 1.00 0.00 H new ATOM 0 HB VAL A 34 1.069 -5.123 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.268 -6.674 2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.945 -6.159 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.616 -5.454 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.319 -5.161 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.035 -3.878 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.798 -3.545 0.607 1.00 0.00 H new ATOM 485 N THR A 35 3.694 -3.800 3.127 1.00 0.00 N ATOM 486 CA THR A 35 5.077 -4.199 3.349 1.00 0.00 C ATOM 487 C THR A 35 5.229 -5.715 3.285 1.00 0.00 C ATOM 488 O THR A 35 6.067 -6.233 2.549 1.00 0.00 O ATOM 489 CB THR A 35 5.594 -3.700 4.712 1.00 0.00 C ATOM 490 OG1 THR A 35 5.436 -2.280 4.806 1.00 0.00 O ATOM 491 CG2 THR A 35 7.058 -4.067 4.902 1.00 0.00 C ATOM 0 H THR A 35 3.244 -3.372 3.936 1.00 0.00 H new ATOM 0 HA THR A 35 5.669 -3.743 2.555 1.00 0.00 H new ATOM 0 HB THR A 35 5.010 -4.182 5.496 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.504 -2.068 5.024 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.401 -3.705 5.871 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.170 -5.150 4.859 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.653 -3.609 4.112 1.00 0.00 H new ATOM 499 N GLY A 36 4.411 -6.420 4.060 1.00 0.00 N ATOM 500 CA GLY A 36 4.470 -7.871 4.076 1.00 0.00 C ATOM 501 C GLY A 36 5.814 -8.391 4.546 1.00 0.00 C ATOM 502 O GLY A 36 6.849 -7.770 4.300 1.00 0.00 O ATOM 0 H GLY A 36 3.708 -6.013 4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.686 -8.256 4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.267 -8.251 3.075 1.00 0.00 H new ATOM 506 N VAL A 37 5.799 -9.532 5.228 1.00 0.00 N ATOM 507 CA VAL A 37 7.026 -10.135 5.735 1.00 0.00 C ATOM 508 C VAL A 37 6.892 -11.651 5.835 1.00 0.00 C ATOM 509 O VAL A 37 6.034 -12.162 6.554 1.00 0.00 O ATOM 510 CB VAL A 37 7.398 -9.571 7.119 1.00 0.00 C ATOM 511 CG1 VAL A 37 8.419 -10.467 7.805 1.00 0.00 C ATOM 512 CG2 VAL A 37 7.926 -8.150 6.990 1.00 0.00 C ATOM 0 H VAL A 37 4.951 -10.057 5.442 1.00 0.00 H new ATOM 0 HA VAL A 37 7.817 -9.889 5.026 1.00 0.00 H new ATOM 0 HB VAL A 37 6.499 -9.547 7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.669 -10.052 8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.000 -11.465 7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.320 -10.526 7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.184 -7.767 7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.813 -8.148 6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.160 -7.516 6.544 1.00 0.00 H new ATOM 522 N ALA A 38 7.748 -12.364 5.110 1.00 0.00 N ATOM 523 CA ALA A 38 7.728 -13.821 5.119 1.00 0.00 C ATOM 524 C ALA A 38 9.142 -14.391 5.082 1.00 0.00 C ATOM 525 O ALA A 38 10.020 -13.849 4.411 1.00 0.00 O ATOM 526 CB ALA A 38 6.914 -14.345 3.945 1.00 0.00 C ATOM 0 H ALA A 38 8.464 -11.956 4.509 1.00 0.00 H new ATOM 0 HA ALA A 38 7.258 -14.147 6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.908 -15.435 3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.891 -13.975 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.359 -14.001 3.011 1.00 0.00 H new ATOM 532 N GLN A 39 9.354 -15.484 5.807 1.00 0.00 N ATOM 533 CA GLN A 39 10.663 -16.125 5.856 1.00 0.00 C ATOM 534 C GLN A 39 10.803 -17.163 4.749 1.00 0.00 C ATOM 535 O GLN A 39 9.810 -17.706 4.262 1.00 0.00 O ATOM 536 CB GLN A 39 10.881 -16.783 7.219 1.00 0.00 C ATOM 537 CG GLN A 39 12.238 -17.452 7.362 1.00 0.00 C ATOM 538 CD GLN A 39 12.745 -17.445 8.791 1.00 0.00 C ATOM 539 OE1 GLN A 39 12.404 -18.320 9.587 1.00 0.00 O ATOM 540 NE2 GLN A 39 13.564 -16.455 9.124 1.00 0.00 N ATOM 0 H GLN A 39 8.637 -15.944 6.368 1.00 0.00 H new ATOM 0 HA GLN A 39 11.421 -15.357 5.706 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.773 -16.029 7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.100 -17.525 7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.170 -18.481 7.010 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.959 -16.943 6.722 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.821 -15.751 8.432 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.937 -16.399 10.072 1.00 0.00 H new ATOM 549 N VAL A 40 12.042 -17.436 4.353 1.00 0.00 N ATOM 550 CA VAL A 40 12.313 -18.411 3.302 1.00 0.00 C ATOM 551 C VAL A 40 13.734 -18.951 3.406 1.00 0.00 C ATOM 552 O VAL A 40 14.661 -18.226 3.771 1.00 0.00 O ATOM 553 CB VAL A 40 12.109 -17.799 1.903 1.00 0.00 C ATOM 554 CG1 VAL A 40 13.177 -16.754 1.615 1.00 0.00 C ATOM 555 CG2 VAL A 40 12.115 -18.887 0.840 1.00 0.00 C ATOM 0 H VAL A 40 12.875 -16.996 4.744 1.00 0.00 H new ATOM 0 HA VAL A 40 11.606 -19.229 3.439 1.00 0.00 H new ATOM 0 HB VAL A 40 11.137 -17.305 1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.016 -16.333 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.119 -15.960 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.162 -17.219 1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.970 -18.437 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.070 -19.411 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.309 -19.594 1.038 1.00 0.00 H new ATOM 565 N LYS A 41 13.901 -20.227 3.081 1.00 0.00 N ATOM 566 CA LYS A 41 15.210 -20.867 3.136 1.00 0.00 C ATOM 567 C LYS A 41 15.430 -21.762 1.920 1.00 0.00 C ATOM 568 O LYS A 41 14.477 -22.153 1.246 1.00 0.00 O ATOM 569 CB LYS A 41 15.346 -21.690 4.419 1.00 0.00 C ATOM 570 CG LYS A 41 14.426 -22.898 4.466 1.00 0.00 C ATOM 571 CD LYS A 41 15.036 -24.031 5.273 1.00 0.00 C ATOM 572 CE LYS A 41 14.302 -25.342 5.036 1.00 0.00 C ATOM 573 NZ LYS A 41 15.112 -26.517 5.461 1.00 0.00 N ATOM 0 H LYS A 41 13.145 -20.840 2.776 1.00 0.00 H new ATOM 0 HA LYS A 41 15.969 -20.084 3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.378 -22.026 4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.136 -21.050 5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.470 -22.612 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.222 -23.241 3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.086 -24.147 5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.005 -23.782 6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.359 -25.334 5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.056 -25.434 3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.576 -27.391 5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.001 -26.540 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.325 -26.443 6.476 1.00 0.00 H new ATOM 587 N ILE A 42 16.690 -22.081 1.647 1.00 0.00 N ATOM 588 CA ILE A 42 17.034 -22.932 0.514 1.00 0.00 C ATOM 589 C ILE A 42 16.841 -24.406 0.855 1.00 0.00 C ATOM 590 O ILE A 42 17.563 -24.962 1.682 1.00 0.00 O ATOM 591 CB ILE A 42 18.489 -22.707 0.061 1.00 0.00 C ATOM 592 CG1 ILE A 42 18.694 -21.252 -0.362 1.00 0.00 C ATOM 593 CG2 ILE A 42 18.841 -23.651 -1.078 1.00 0.00 C ATOM 594 CD1 ILE A 42 17.855 -20.845 -1.553 1.00 0.00 C ATOM 0 H ILE A 42 17.490 -21.763 2.194 1.00 0.00 H new ATOM 0 HA ILE A 42 16.363 -22.659 -0.300 1.00 0.00 H new ATOM 0 HB ILE A 42 19.153 -22.919 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.456 -20.601 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.746 -21.096 -0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 42 19.872 -23.480 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.729 -24.682 -0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.175 -23.468 -1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.052 -19.801 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.109 -21.472 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.799 -20.969 -1.313 1.00 0.00 H new ATOM 606 N MET A 43 15.863 -25.034 0.210 1.00 0.00 N ATOM 607 CA MET A 43 15.578 -26.444 0.443 1.00 0.00 C ATOM 608 C MET A 43 16.864 -27.266 0.453 1.00 0.00 C ATOM 609 O MET A 43 17.940 -26.756 0.139 1.00 0.00 O ATOM 610 CB MET A 43 14.627 -26.978 -0.631 1.00 0.00 C ATOM 611 CG MET A 43 13.161 -26.705 -0.335 1.00 0.00 C ATOM 612 SD MET A 43 12.053 -27.808 -1.233 1.00 0.00 S ATOM 613 CE MET A 43 10.996 -26.624 -2.063 1.00 0.00 C ATOM 0 H MET A 43 15.255 -24.588 -0.477 1.00 0.00 H new ATOM 0 HA MET A 43 15.102 -26.536 1.419 1.00 0.00 H new ATOM 0 HB2 MET A 43 14.885 -26.528 -1.590 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.774 -28.053 -0.733 1.00 0.00 H new ATOM 0 HG2 MET A 43 12.985 -26.812 0.735 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.928 -25.672 -0.595 1.00 0.00 H new ATOM 0 HE1 MET A 43 10.222 -27.154 -2.618 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.530 -25.972 -1.324 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.591 -26.025 -2.752 1.00 0.00 H new ATOM 737 N VAL A 51 18.219 -28.124 -10.262 1.00 0.00 N ATOM 738 CA VAL A 51 17.118 -27.220 -10.573 1.00 0.00 C ATOM 739 C VAL A 51 17.384 -25.823 -10.025 1.00 0.00 C ATOM 740 O VAL A 51 17.225 -24.828 -10.732 1.00 0.00 O ATOM 741 CB VAL A 51 15.787 -27.740 -9.999 1.00 0.00 C ATOM 742 CG1 VAL A 51 15.920 -28.025 -8.511 1.00 0.00 C ATOM 743 CG2 VAL A 51 14.669 -26.742 -10.261 1.00 0.00 C ATOM 0 HA VAL A 51 17.043 -27.173 -11.659 1.00 0.00 H new ATOM 0 HB VAL A 51 15.536 -28.674 -10.501 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.969 -28.391 -8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.691 -28.779 -8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 51 16.195 -27.109 -7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.735 -27.125 -9.849 1.00 0.00 H new ATOM 0 HG22 VAL A 51 14.912 -25.791 -9.787 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.558 -26.594 -11.335 1.00 0.00 H new ATOM 753 N ALA A 52 17.789 -25.756 -8.761 1.00 0.00 N ATOM 754 CA ALA A 52 18.079 -24.479 -8.119 1.00 0.00 C ATOM 755 C ALA A 52 19.578 -24.202 -8.102 1.00 0.00 C ATOM 756 O ALA A 52 20.012 -23.073 -8.331 1.00 0.00 O ATOM 757 CB ALA A 52 17.521 -24.463 -6.703 1.00 0.00 C ATOM 0 H ALA A 52 17.924 -26.570 -8.161 1.00 0.00 H new ATOM 0 HA ALA A 52 17.597 -23.691 -8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.744 -23.504 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.441 -24.608 -6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.977 -25.265 -6.123 1.00 0.00 H new ATOM 763 N CYS A 53 20.363 -25.238 -7.828 1.00 0.00 N ATOM 764 CA CYS A 53 21.815 -25.105 -7.780 1.00 0.00 C ATOM 765 C CYS A 53 22.326 -24.279 -8.956 1.00 0.00 C ATOM 766 O CYS A 53 22.855 -23.184 -8.773 1.00 0.00 O ATOM 767 CB CYS A 53 22.475 -26.485 -7.786 1.00 0.00 C ATOM 768 SG CYS A 53 22.607 -27.248 -6.152 1.00 0.00 S ATOM 0 H CYS A 53 20.019 -26.179 -7.636 1.00 0.00 H new ATOM 0 HA CYS A 53 22.077 -24.589 -6.856 1.00 0.00 H new ATOM 0 HB2 CYS A 53 21.904 -27.146 -8.439 1.00 0.00 H new ATOM 0 HB3 CYS A 53 23.473 -26.397 -8.216 1.00 0.00 H new ATOM 0 HG CYS A 53 23.176 -28.412 -6.261 1.00 0.00 H new ATOM 774 N GLU A 54 22.161 -24.812 -10.163 1.00 0.00 N ATOM 775 CA GLU A 54 22.608 -24.123 -11.368 1.00 0.00 C ATOM 776 C GLU A 54 21.883 -22.792 -11.534 1.00 0.00 C ATOM 777 O GLU A 54 22.467 -21.809 -11.991 1.00 0.00 O ATOM 778 CB GLU A 54 22.373 -25.001 -12.599 1.00 0.00 C ATOM 779 CG GLU A 54 23.218 -24.607 -13.799 1.00 0.00 C ATOM 780 CD GLU A 54 23.513 -25.777 -14.717 1.00 0.00 C ATOM 781 OE1 GLU A 54 24.328 -26.642 -14.333 1.00 0.00 O ATOM 782 OE2 GLU A 54 22.927 -25.827 -15.819 1.00 0.00 O ATOM 0 H GLU A 54 21.722 -25.717 -10.332 1.00 0.00 H new ATOM 0 HA GLU A 54 23.675 -23.925 -11.269 1.00 0.00 H new ATOM 0 HB2 GLU A 54 22.586 -26.038 -12.341 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.320 -24.951 -12.875 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.701 -23.830 -14.362 1.00 0.00 H new ATOM 0 HG3 GLU A 54 24.158 -24.178 -13.451 1.00 0.00 H new ATOM 789 N GLN A 55 20.608 -22.768 -11.160 1.00 0.00 N ATOM 790 CA GLN A 55 19.804 -21.556 -11.269 1.00 0.00 C ATOM 791 C GLN A 55 20.491 -20.383 -10.578 1.00 0.00 C ATOM 792 O GLN A 55 20.352 -19.234 -10.999 1.00 0.00 O ATOM 793 CB GLN A 55 18.419 -21.782 -10.659 1.00 0.00 C ATOM 794 CG GLN A 55 17.486 -20.591 -10.807 1.00 0.00 C ATOM 795 CD GLN A 55 16.024 -20.981 -10.727 1.00 0.00 C ATOM 796 OE1 GLN A 55 15.527 -21.746 -11.554 1.00 0.00 O ATOM 797 NE2 GLN A 55 15.326 -20.455 -9.727 1.00 0.00 N ATOM 0 H GLN A 55 20.110 -23.573 -10.779 1.00 0.00 H new ATOM 0 HA GLN A 55 19.694 -21.317 -12.327 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.961 -22.652 -11.130 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.531 -22.015 -9.600 1.00 0.00 H new ATOM 0 HG2 GLN A 55 17.707 -19.862 -10.027 1.00 0.00 H new ATOM 0 HG3 GLN A 55 17.676 -20.102 -11.763 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.779 -19.825 -9.065 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.337 -20.681 -9.621 1.00 0.00 H new ATOM 806 N PHE A 56 21.230 -20.679 -9.514 1.00 0.00 N ATOM 807 CA PHE A 56 21.938 -19.648 -8.764 1.00 0.00 C ATOM 808 C PHE A 56 23.410 -19.598 -9.164 1.00 0.00 C ATOM 809 O PHE A 56 23.937 -18.537 -9.502 1.00 0.00 O ATOM 810 CB PHE A 56 21.814 -19.906 -7.261 1.00 0.00 C ATOM 811 CG PHE A 56 20.418 -20.243 -6.823 1.00 0.00 C ATOM 812 CD1 PHE A 56 19.328 -19.591 -7.377 1.00 0.00 C ATOM 813 CD2 PHE A 56 20.195 -21.211 -5.857 1.00 0.00 C ATOM 814 CE1 PHE A 56 18.042 -19.899 -6.975 1.00 0.00 C ATOM 815 CE2 PHE A 56 18.911 -21.523 -5.452 1.00 0.00 C ATOM 816 CZ PHE A 56 17.833 -20.866 -6.011 1.00 0.00 C ATOM 0 H PHE A 56 21.354 -21.624 -9.152 1.00 0.00 H new ATOM 0 HA PHE A 56 21.484 -18.686 -8.999 1.00 0.00 H new ATOM 0 HB2 PHE A 56 22.480 -20.724 -6.985 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.152 -19.022 -6.720 1.00 0.00 H new ATOM 0 HD1 PHE A 56 19.485 -18.834 -8.131 1.00 0.00 H new ATOM 0 HD2 PHE A 56 21.034 -21.728 -5.415 1.00 0.00 H new ATOM 0 HE1 PHE A 56 17.201 -19.384 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 56 18.751 -22.280 -4.699 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.829 -21.108 -5.695 1.00 0.00 H new ATOM 904 N GLN A 62 22.771 -12.003 -4.509 1.00 0.00 N ATOM 905 CA GLN A 62 21.753 -11.023 -4.867 1.00 0.00 C ATOM 906 C GLN A 62 20.710 -11.636 -5.795 1.00 0.00 C ATOM 907 O GLN A 62 19.508 -11.524 -5.554 1.00 0.00 O ATOM 908 CB GLN A 62 22.398 -9.807 -5.535 1.00 0.00 C ATOM 909 CG GLN A 62 23.126 -8.894 -4.563 1.00 0.00 C ATOM 910 CD GLN A 62 24.102 -7.964 -5.256 1.00 0.00 C ATOM 911 OE1 GLN A 62 25.108 -8.404 -5.815 1.00 0.00 O ATOM 912 NE2 GLN A 62 23.810 -6.668 -5.223 1.00 0.00 N ATOM 0 HA GLN A 62 21.254 -10.703 -3.952 1.00 0.00 H new ATOM 0 HB2 GLN A 62 23.101 -10.150 -6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 62 21.627 -9.234 -6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.396 -8.302 -4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.663 -9.500 -3.834 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.966 -6.347 -4.749 1.00 0.00 H new ATOM 0 HE22 GLN A 62 24.430 -5.994 -5.672 1.00 0.00 H new ATOM 921 N ASP A 63 21.179 -12.282 -6.858 1.00 0.00 N ATOM 922 CA ASP A 63 20.286 -12.912 -7.823 1.00 0.00 C ATOM 923 C ASP A 63 19.233 -13.761 -7.117 1.00 0.00 C ATOM 924 O ASP A 63 18.033 -13.562 -7.305 1.00 0.00 O ATOM 925 CB ASP A 63 21.085 -13.778 -8.799 1.00 0.00 C ATOM 926 CG ASP A 63 20.289 -14.964 -9.306 1.00 0.00 C ATOM 927 OD1 ASP A 63 19.288 -14.746 -10.021 1.00 0.00 O ATOM 928 OD2 ASP A 63 20.668 -16.111 -8.990 1.00 0.00 O ATOM 0 H ASP A 63 22.171 -12.383 -7.072 1.00 0.00 H new ATOM 0 HA ASP A 63 19.778 -12.124 -8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.402 -13.168 -9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 63 21.990 -14.135 -8.307 1.00 0.00 H new ATOM 933 N ILE A 64 19.691 -14.708 -6.304 1.00 0.00 N ATOM 934 CA ILE A 64 18.790 -15.586 -5.570 1.00 0.00 C ATOM 935 C ILE A 64 17.751 -14.782 -4.794 1.00 0.00 C ATOM 936 O ILE A 64 16.568 -14.784 -5.133 1.00 0.00 O ATOM 937 CB ILE A 64 19.558 -16.491 -4.590 1.00 0.00 C ATOM 938 CG1 ILE A 64 20.561 -17.365 -5.348 1.00 0.00 C ATOM 939 CG2 ILE A 64 18.591 -17.355 -3.795 1.00 0.00 C ATOM 940 CD1 ILE A 64 21.904 -16.700 -5.556 1.00 0.00 C ATOM 0 H ILE A 64 20.681 -14.886 -6.138 1.00 0.00 H new ATOM 0 HA ILE A 64 18.287 -16.210 -6.309 1.00 0.00 H new ATOM 0 HB ILE A 64 20.108 -15.860 -3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 64 20.706 -18.296 -4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 64 20.141 -17.629 -6.319 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.151 -17.989 -3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 64 17.913 -16.716 -3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 64 18.016 -17.980 -4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 64 22.564 -17.376 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 64 21.771 -15.783 -6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 64 22.345 -16.461 -4.588 1.00 0.00 H new ATOM 952 N LYS A 65 18.202 -14.096 -3.750 1.00 0.00 N ATOM 953 CA LYS A 65 17.314 -13.284 -2.925 1.00 0.00 C ATOM 954 C LYS A 65 16.269 -12.580 -3.783 1.00 0.00 C ATOM 955 O LYS A 65 15.094 -12.517 -3.421 1.00 0.00 O ATOM 956 CB LYS A 65 18.120 -12.253 -2.134 1.00 0.00 C ATOM 957 CG LYS A 65 18.612 -12.765 -0.792 1.00 0.00 C ATOM 958 CD LYS A 65 19.760 -11.922 -0.259 1.00 0.00 C ATOM 959 CE LYS A 65 20.454 -12.600 0.912 1.00 0.00 C ATOM 960 NZ LYS A 65 21.788 -12.001 1.188 1.00 0.00 N ATOM 0 H LYS A 65 19.178 -14.086 -3.454 1.00 0.00 H new ATOM 0 HA LYS A 65 16.800 -13.945 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.977 -11.939 -2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.503 -11.369 -1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 65 17.791 -12.757 -0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 65 18.937 -13.801 -0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 65 20.481 -11.743 -1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.383 -10.949 0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.829 -12.519 1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 65 20.570 -13.663 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 22.229 -12.491 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 22.394 -12.101 0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 21.675 -10.993 1.416 1.00 0.00 H new ATOM 974 N ASN A 66 16.703 -12.051 -4.923 1.00 0.00 N ATOM 975 CA ASN A 66 15.804 -11.351 -5.833 1.00 0.00 C ATOM 976 C ASN A 66 14.786 -12.313 -6.438 1.00 0.00 C ATOM 977 O ASN A 66 13.580 -12.166 -6.235 1.00 0.00 O ATOM 978 CB ASN A 66 16.601 -10.669 -6.946 1.00 0.00 C ATOM 979 CG ASN A 66 17.264 -9.386 -6.480 1.00 0.00 C ATOM 980 OD1 ASN A 66 16.589 -8.404 -6.168 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.590 -9.389 -6.431 1.00 0.00 N ATOM 0 H ASN A 66 17.672 -12.094 -5.238 1.00 0.00 H new ATOM 0 HA ASN A 66 15.267 -10.593 -5.262 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.363 -11.355 -7.316 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.937 -10.449 -7.782 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.091 -8.555 -6.125 1.00 0.00 H new ATOM 0 HD22 ASN A 66 19.108 -10.226 -6.699 1.00 0.00 H new ATOM 988 N VAL A 67 15.279 -13.297 -7.183 1.00 0.00 N ATOM 989 CA VAL A 67 14.413 -14.284 -7.816 1.00 0.00 C ATOM 990 C VAL A 67 13.276 -14.694 -6.888 1.00 0.00 C ATOM 991 O VAL A 67 12.102 -14.500 -7.202 1.00 0.00 O ATOM 992 CB VAL A 67 15.202 -15.540 -8.229 1.00 0.00 C ATOM 993 CG1 VAL A 67 14.282 -16.557 -8.885 1.00 0.00 C ATOM 994 CG2 VAL A 67 16.347 -15.168 -9.159 1.00 0.00 C ATOM 0 H VAL A 67 16.274 -13.432 -7.363 1.00 0.00 H new ATOM 0 HA VAL A 67 13.998 -13.815 -8.708 1.00 0.00 H new ATOM 0 HB VAL A 67 15.625 -15.993 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 67 14.858 -17.438 -9.170 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.500 -16.846 -8.183 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.828 -16.117 -9.773 1.00 0.00 H new ATOM 0 HG21 VAL A 67 16.894 -16.068 -9.441 1.00 0.00 H new ATOM 0 HG22 VAL A 67 15.948 -14.690 -10.054 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.020 -14.479 -8.649 1.00 0.00 H new ATOM 1004 N VAL A 68 13.632 -15.263 -5.740 1.00 0.00 N ATOM 1005 CA VAL A 68 12.642 -15.700 -4.764 1.00 0.00 C ATOM 1006 C VAL A 68 11.689 -14.566 -4.402 1.00 0.00 C ATOM 1007 O VAL A 68 10.470 -14.741 -4.402 1.00 0.00 O ATOM 1008 CB VAL A 68 13.313 -16.221 -3.478 1.00 0.00 C ATOM 1009 CG1 VAL A 68 12.267 -16.724 -2.496 1.00 0.00 C ATOM 1010 CG2 VAL A 68 14.316 -17.316 -3.808 1.00 0.00 C ATOM 0 H VAL A 68 14.599 -15.432 -5.464 1.00 0.00 H new ATOM 0 HA VAL A 68 12.079 -16.511 -5.226 1.00 0.00 H new ATOM 0 HB VAL A 68 13.850 -15.396 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.760 -17.088 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.590 -15.910 -2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.700 -17.535 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.781 -17.673 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.803 -18.143 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.084 -16.918 -4.472 1.00 0.00 H new ATOM 1020 N LEU A 69 12.252 -13.403 -4.095 1.00 0.00 N ATOM 1021 CA LEU A 69 11.453 -12.238 -3.732 1.00 0.00 C ATOM 1022 C LEU A 69 10.406 -11.942 -4.801 1.00 0.00 C ATOM 1023 O LEU A 69 9.235 -11.721 -4.493 1.00 0.00 O ATOM 1024 CB LEU A 69 12.353 -11.018 -3.533 1.00 0.00 C ATOM 1025 CG LEU A 69 11.640 -9.688 -3.290 1.00 0.00 C ATOM 1026 CD1 LEU A 69 10.865 -9.730 -1.981 1.00 0.00 C ATOM 1027 CD2 LEU A 69 12.638 -8.540 -3.284 1.00 0.00 C ATOM 0 H LEU A 69 13.259 -13.241 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 69 10.939 -12.459 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.013 -11.213 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.986 -10.912 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 69 10.933 -9.523 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.364 -8.775 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.123 -10.527 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.553 -9.918 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.112 -7.601 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.370 -8.698 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.148 -8.497 -4.246 1.00 0.00 H new ATOM 1039 N GLN A 70 10.836 -11.939 -6.059 1.00 0.00 N ATOM 1040 CA GLN A 70 9.935 -11.671 -7.173 1.00 0.00 C ATOM 1041 C GLN A 70 8.721 -12.592 -7.126 1.00 0.00 C ATOM 1042 O GLN A 70 7.586 -12.153 -7.318 1.00 0.00 O ATOM 1043 CB GLN A 70 10.670 -11.845 -8.504 1.00 0.00 C ATOM 1044 CG GLN A 70 11.708 -10.766 -8.772 1.00 0.00 C ATOM 1045 CD GLN A 70 11.088 -9.395 -8.959 1.00 0.00 C ATOM 1046 OE1 GLN A 70 10.574 -8.799 -8.013 1.00 0.00 O ATOM 1047 NE2 GLN A 70 11.134 -8.888 -10.186 1.00 0.00 N ATOM 0 H GLN A 70 11.802 -12.119 -6.332 1.00 0.00 H new ATOM 0 HA GLN A 70 9.590 -10.641 -7.088 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.159 -12.819 -8.515 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.941 -11.846 -9.315 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.414 -10.732 -7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.277 -11.028 -9.664 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.570 -9.418 -10.941 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.733 -7.969 -10.373 1.00 0.00 H new ATOM 1056 N THR A 71 8.966 -13.873 -6.868 1.00 0.00 N ATOM 1057 CA THR A 71 7.893 -14.858 -6.796 1.00 0.00 C ATOM 1058 C THR A 71 6.771 -14.381 -5.882 1.00 0.00 C ATOM 1059 O THR A 71 5.636 -14.187 -6.323 1.00 0.00 O ATOM 1060 CB THR A 71 8.410 -16.216 -6.290 1.00 0.00 C ATOM 1061 OG1 THR A 71 9.477 -16.678 -7.126 1.00 0.00 O ATOM 1062 CG2 THR A 71 7.292 -17.248 -6.270 1.00 0.00 C ATOM 0 H THR A 71 9.899 -14.253 -6.705 1.00 0.00 H new ATOM 0 HA THR A 71 7.507 -14.980 -7.808 1.00 0.00 H new ATOM 0 HB THR A 71 8.778 -16.082 -5.273 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.304 -17.604 -7.395 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.682 -18.200 -5.909 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.495 -16.908 -5.609 1.00 0.00 H new ATOM 0 HG23 THR A 71 6.897 -17.377 -7.278 1.00 0.00 H new ATOM 1070 N LEU A 72 7.091 -14.193 -4.607 1.00 0.00 N ATOM 1071 CA LEU A 72 6.109 -13.737 -3.629 1.00 0.00 C ATOM 1072 C LEU A 72 5.611 -12.336 -3.970 1.00 0.00 C ATOM 1073 O LEU A 72 4.408 -12.105 -4.078 1.00 0.00 O ATOM 1074 CB LEU A 72 6.714 -13.749 -2.225 1.00 0.00 C ATOM 1075 CG LEU A 72 7.279 -15.087 -1.748 1.00 0.00 C ATOM 1076 CD1 LEU A 72 8.182 -14.888 -0.540 1.00 0.00 C ATOM 1077 CD2 LEU A 72 6.151 -16.055 -1.419 1.00 0.00 C ATOM 0 H LEU A 72 8.024 -14.349 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 72 5.260 -14.421 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.512 -13.007 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.948 -13.428 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 72 7.876 -15.514 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.574 -15.852 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.010 -14.232 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.610 -14.438 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.571 -17.002 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.528 -15.633 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.545 -16.224 -2.309 1.00 0.00 H new ATOM 1089 N GLU A 73 6.547 -11.407 -4.139 1.00 0.00 N ATOM 1090 CA GLU A 73 6.202 -10.029 -4.468 1.00 0.00 C ATOM 1091 C GLU A 73 5.123 -9.980 -5.546 1.00 0.00 C ATOM 1092 O GLU A 73 4.045 -9.427 -5.337 1.00 0.00 O ATOM 1093 CB GLU A 73 7.443 -9.268 -4.938 1.00 0.00 C ATOM 1094 CG GLU A 73 7.431 -7.794 -4.568 1.00 0.00 C ATOM 1095 CD GLU A 73 6.709 -6.941 -5.592 1.00 0.00 C ATOM 1096 OE1 GLU A 73 7.076 -7.008 -6.784 1.00 0.00 O ATOM 1097 OE2 GLU A 73 5.777 -6.206 -5.203 1.00 0.00 O ATOM 0 H GLU A 73 7.548 -11.583 -4.054 1.00 0.00 H new ATOM 0 HA GLU A 73 5.813 -9.554 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.329 -9.734 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.527 -9.361 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.953 -7.671 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.457 -7.441 -4.465 1.00 0.00 H new ATOM 1104 N GLY A 74 5.424 -10.564 -6.702 1.00 0.00 N ATOM 1105 CA GLY A 74 4.471 -10.576 -7.797 1.00 0.00 C ATOM 1106 C GLY A 74 3.105 -11.074 -7.370 1.00 0.00 C ATOM 1107 O GLY A 74 2.087 -10.447 -7.668 1.00 0.00 O ATOM 0 H GLY A 74 6.310 -11.029 -6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.377 -9.569 -8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.851 -11.209 -8.599 1.00 0.00 H new ATOM 1111 N HIS A 75 3.080 -12.205 -6.673 1.00 0.00 N ATOM 1112 CA HIS A 75 1.827 -12.787 -6.205 1.00 0.00 C ATOM 1113 C HIS A 75 1.088 -11.821 -5.284 1.00 0.00 C ATOM 1114 O HIS A 75 -0.139 -11.720 -5.327 1.00 0.00 O ATOM 1115 CB HIS A 75 2.093 -14.104 -5.474 1.00 0.00 C ATOM 1116 CG HIS A 75 2.242 -15.278 -6.392 1.00 0.00 C ATOM 1117 ND1 HIS A 75 1.236 -15.708 -7.233 1.00 0.00 N ATOM 1118 CD2 HIS A 75 3.286 -16.113 -6.599 1.00 0.00 C ATOM 1119 CE1 HIS A 75 1.656 -16.758 -7.917 1.00 0.00 C ATOM 1120 NE2 HIS A 75 2.897 -17.024 -7.550 1.00 0.00 N ATOM 0 H HIS A 75 3.913 -12.737 -6.420 1.00 0.00 H new ATOM 0 HA HIS A 75 1.200 -12.983 -7.075 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.999 -14.002 -4.877 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.275 -14.297 -4.780 1.00 0.00 H new ATOM 0 HD1 HIS A 75 0.313 -15.282 -7.314 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.247 -16.071 -6.108 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.083 -17.305 -8.651 1.00 0.00 H new ATOM 1129 N LEU A 76 1.843 -11.113 -4.450 1.00 0.00 N ATOM 1130 CA LEU A 76 1.261 -10.155 -3.517 1.00 0.00 C ATOM 1131 C LEU A 76 0.303 -9.209 -4.235 1.00 0.00 C ATOM 1132 O LEU A 76 -0.798 -8.943 -3.755 1.00 0.00 O ATOM 1133 CB LEU A 76 2.363 -9.354 -2.824 1.00 0.00 C ATOM 1134 CG LEU A 76 1.984 -8.699 -1.495 1.00 0.00 C ATOM 1135 CD1 LEU A 76 1.921 -9.738 -0.387 1.00 0.00 C ATOM 1136 CD2 LEU A 76 2.972 -7.598 -1.141 1.00 0.00 C ATOM 0 H LEU A 76 2.859 -11.185 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 76 0.699 -10.711 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.211 -10.016 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.702 -8.574 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 76 0.996 -8.251 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.650 -9.254 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.173 -10.491 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.895 -10.216 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.686 -7.144 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.973 -8.021 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.966 -6.839 -1.923 1.00 0.00 H new ATOM 1148 N ARG A 77 0.732 -8.705 -5.388 1.00 0.00 N ATOM 1149 CA ARG A 77 -0.088 -7.789 -6.173 1.00 0.00 C ATOM 1150 C ARG A 77 -1.219 -8.536 -6.872 1.00 0.00 C ATOM 1151 O ARG A 77 -2.319 -8.007 -7.035 1.00 0.00 O ATOM 1152 CB ARG A 77 0.772 -7.059 -7.206 1.00 0.00 C ATOM 1153 CG ARG A 77 0.146 -5.773 -7.720 1.00 0.00 C ATOM 1154 CD ARG A 77 1.111 -5.000 -8.605 1.00 0.00 C ATOM 1155 NE ARG A 77 1.136 -5.517 -9.970 1.00 0.00 N ATOM 1156 CZ ARG A 77 0.268 -5.155 -10.908 1.00 0.00 C ATOM 1157 NH1 ARG A 77 -0.687 -4.279 -10.630 1.00 0.00 N ATOM 1158 NH2 ARG A 77 0.356 -5.670 -12.128 1.00 0.00 N ATOM 0 H ARG A 77 1.642 -8.915 -5.799 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.525 -7.058 -5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.741 -6.830 -6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.957 -7.725 -8.049 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.758 -6.006 -8.282 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.155 -5.151 -6.877 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.825 -3.948 -8.621 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.113 -5.051 -8.180 1.00 0.00 H new ATOM 0 HE ARG A 77 1.859 -6.193 -10.217 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.757 -3.881 -9.694 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.352 -4.003 -11.353 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.090 -6.344 -12.345 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.311 -5.392 -12.848 1.00 0.00 H new ATOM 1172 N SER A 78 -0.942 -9.769 -7.285 1.00 0.00 N ATOM 1173 CA SER A 78 -1.935 -10.587 -7.972 1.00 0.00 C ATOM 1174 C SER A 78 -3.124 -10.877 -7.060 1.00 0.00 C ATOM 1175 O SER A 78 -4.277 -10.681 -7.445 1.00 0.00 O ATOM 1176 CB SER A 78 -1.308 -11.900 -8.442 1.00 0.00 C ATOM 1177 OG SER A 78 -1.052 -12.764 -7.348 1.00 0.00 O ATOM 0 H SER A 78 -0.038 -10.223 -7.156 1.00 0.00 H new ATOM 0 HA SER A 78 -2.290 -10.031 -8.840 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.975 -12.392 -9.150 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.378 -11.693 -8.971 1.00 0.00 H new ATOM 0 HG SER A 78 -0.706 -12.243 -6.594 1.00 0.00 H new ATOM 1183 N ILE A 79 -2.835 -11.344 -5.851 1.00 0.00 N ATOM 1184 CA ILE A 79 -3.879 -11.659 -4.883 1.00 0.00 C ATOM 1185 C ILE A 79 -4.601 -10.398 -4.423 1.00 0.00 C ATOM 1186 O ILE A 79 -5.791 -10.221 -4.686 1.00 0.00 O ATOM 1187 CB ILE A 79 -3.305 -12.387 -3.653 1.00 0.00 C ATOM 1188 CG1 ILE A 79 -2.688 -13.725 -4.066 1.00 0.00 C ATOM 1189 CG2 ILE A 79 -4.392 -12.598 -2.609 1.00 0.00 C ATOM 1190 CD1 ILE A 79 -3.701 -14.725 -4.576 1.00 0.00 C ATOM 0 H ILE A 79 -1.886 -11.513 -5.517 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.588 -12.317 -5.386 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.522 -11.768 -3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.942 -13.548 -4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.165 -14.154 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.972 -13.114 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.789 -11.632 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.194 -13.200 -3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.193 -15.650 -4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.434 -14.931 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.208 -14.316 -5.450 1.00 0.00 H new ATOM 1202 N LEU A 80 -3.874 -9.522 -3.738 1.00 0.00 N ATOM 1203 CA LEU A 80 -4.445 -8.274 -3.242 1.00 0.00 C ATOM 1204 C LEU A 80 -5.542 -7.769 -4.174 1.00 0.00 C ATOM 1205 O LEU A 80 -6.576 -7.281 -3.724 1.00 0.00 O ATOM 1206 CB LEU A 80 -3.352 -7.213 -3.098 1.00 0.00 C ATOM 1207 CG LEU A 80 -3.697 -6.011 -2.218 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -2.445 -5.458 -1.557 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.392 -4.933 -3.036 1.00 0.00 C ATOM 0 H LEU A 80 -2.888 -9.653 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.886 -8.467 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.460 -7.691 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.094 -6.848 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.380 -6.341 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.709 -4.603 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.989 -6.230 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.737 -5.143 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.630 -4.085 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.733 -4.605 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.311 -5.335 -3.461 1.00 0.00 H new ATOM 1221 N GLY A 81 -5.308 -7.895 -5.478 1.00 0.00 N ATOM 1222 CA GLY A 81 -6.286 -7.448 -6.453 1.00 0.00 C ATOM 1223 C GLY A 81 -7.701 -7.833 -6.072 1.00 0.00 C ATOM 1224 O GLY A 81 -8.526 -6.972 -5.764 1.00 0.00 O ATOM 0 H GLY A 81 -4.460 -8.298 -5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.223 -6.365 -6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.046 -7.876 -7.426 1.00 0.00 H new ATOM 1228 N THR A 82 -7.987 -9.131 -6.095 1.00 0.00 N ATOM 1229 CA THR A 82 -9.313 -9.629 -5.753 1.00 0.00 C ATOM 1230 C THR A 82 -9.831 -8.980 -4.474 1.00 0.00 C ATOM 1231 O THR A 82 -11.028 -8.730 -4.334 1.00 0.00 O ATOM 1232 CB THR A 82 -9.310 -11.159 -5.574 1.00 0.00 C ATOM 1233 OG1 THR A 82 -10.649 -11.661 -5.630 1.00 0.00 O ATOM 1234 CG2 THR A 82 -8.673 -11.547 -4.249 1.00 0.00 C ATOM 0 H THR A 82 -7.317 -9.857 -6.347 1.00 0.00 H new ATOM 0 HA THR A 82 -9.972 -9.369 -6.582 1.00 0.00 H new ATOM 0 HB THR A 82 -8.724 -11.596 -6.383 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.638 -12.634 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.682 -12.632 -4.145 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.644 -11.188 -4.221 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.236 -11.099 -3.430 1.00 0.00 H new ATOM 1242 N LEU A 83 -8.922 -8.709 -3.545 1.00 0.00 N ATOM 1243 CA LEU A 83 -9.287 -8.086 -2.276 1.00 0.00 C ATOM 1244 C LEU A 83 -9.461 -6.580 -2.439 1.00 0.00 C ATOM 1245 O LEU A 83 -8.695 -5.928 -3.149 1.00 0.00 O ATOM 1246 CB LEU A 83 -8.221 -8.377 -1.218 1.00 0.00 C ATOM 1247 CG LEU A 83 -8.289 -9.755 -0.559 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -7.058 -9.996 0.302 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -9.557 -9.889 0.271 1.00 0.00 C ATOM 0 H LEU A 83 -7.927 -8.910 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.238 -8.509 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.240 -8.265 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.295 -7.619 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.312 -10.511 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.124 -10.981 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.164 -9.945 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.003 -9.234 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.587 -10.876 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.565 -9.125 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.428 -9.762 -0.372 1.00 0.00 H new ATOM 1261 N THR A 84 -10.474 -6.031 -1.775 1.00 0.00 N ATOM 1262 CA THR A 84 -10.748 -4.601 -1.844 1.00 0.00 C ATOM 1263 C THR A 84 -9.949 -3.836 -0.795 1.00 0.00 C ATOM 1264 O THR A 84 -9.708 -4.337 0.304 1.00 0.00 O ATOM 1265 CB THR A 84 -12.247 -4.307 -1.646 1.00 0.00 C ATOM 1266 OG1 THR A 84 -12.713 -4.925 -0.442 1.00 0.00 O ATOM 1267 CG2 THR A 84 -13.058 -4.813 -2.830 1.00 0.00 C ATOM 0 H THR A 84 -11.118 -6.556 -1.183 1.00 0.00 H new ATOM 0 HA THR A 84 -10.448 -4.269 -2.838 1.00 0.00 H new ATOM 0 HB THR A 84 -12.377 -3.227 -1.572 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.666 -4.732 -0.323 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.114 -4.594 -2.668 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.720 -4.318 -3.740 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.922 -5.890 -2.931 1.00 0.00 H new ATOM 1275 N VAL A 85 -9.538 -2.620 -1.142 1.00 0.00 N ATOM 1276 CA VAL A 85 -8.767 -1.786 -0.229 1.00 0.00 C ATOM 1277 C VAL A 85 -9.288 -1.905 1.199 1.00 0.00 C ATOM 1278 O VAL A 85 -8.512 -2.019 2.146 1.00 0.00 O ATOM 1279 CB VAL A 85 -8.805 -0.306 -0.654 1.00 0.00 C ATOM 1280 CG1 VAL A 85 -10.241 0.188 -0.746 1.00 0.00 C ATOM 1281 CG2 VAL A 85 -8.000 0.548 0.315 1.00 0.00 C ATOM 0 H VAL A 85 -9.726 -2.191 -2.048 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.738 -2.143 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.353 -0.219 -1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.247 1.235 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.783 -0.405 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.723 0.088 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.038 1.591 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.421 0.457 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.964 0.209 0.324 1.00 0.00 H new ATOM 1291 N GLU A 86 -10.610 -1.880 1.345 1.00 0.00 N ATOM 1292 CA GLU A 86 -11.234 -1.986 2.659 1.00 0.00 C ATOM 1293 C GLU A 86 -10.891 -3.318 3.319 1.00 0.00 C ATOM 1294 O GLU A 86 -10.170 -3.360 4.316 1.00 0.00 O ATOM 1295 CB GLU A 86 -12.753 -1.840 2.539 1.00 0.00 C ATOM 1296 CG GLU A 86 -13.397 -1.167 3.740 1.00 0.00 C ATOM 1297 CD GLU A 86 -14.852 -1.555 3.916 1.00 0.00 C ATOM 1298 OE1 GLU A 86 -15.112 -2.700 4.341 1.00 0.00 O ATOM 1299 OE2 GLU A 86 -15.730 -0.715 3.628 1.00 0.00 O ATOM 0 H GLU A 86 -11.268 -1.787 0.571 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.846 -1.181 3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.984 -1.264 1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.195 -2.827 2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.843 -1.432 4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.324 -0.085 3.628 1.00 0.00 H new ATOM 1306 N GLN A 87 -11.413 -4.403 2.756 1.00 0.00 N ATOM 1307 CA GLN A 87 -11.163 -5.736 3.291 1.00 0.00 C ATOM 1308 C GLN A 87 -9.720 -5.870 3.766 1.00 0.00 C ATOM 1309 O GLN A 87 -9.465 -6.256 4.908 1.00 0.00 O ATOM 1310 CB GLN A 87 -11.463 -6.798 2.232 1.00 0.00 C ATOM 1311 CG GLN A 87 -12.949 -6.998 1.975 1.00 0.00 C ATOM 1312 CD GLN A 87 -13.251 -8.314 1.287 1.00 0.00 C ATOM 1313 OE1 GLN A 87 -13.911 -9.186 1.852 1.00 0.00 O ATOM 1314 NE2 GLN A 87 -12.768 -8.464 0.059 1.00 0.00 N ATOM 0 H GLN A 87 -12.011 -4.385 1.930 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.824 -5.887 4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.976 -6.516 1.298 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -11.026 -7.746 2.546 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.486 -6.956 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.321 -6.178 1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.226 -7.715 -0.371 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.939 -9.329 -0.454 1.00 0.00 H new ATOM 1323 N ILE A 88 -8.779 -5.548 2.884 1.00 0.00 N ATOM 1324 CA ILE A 88 -7.362 -5.632 3.215 1.00 0.00 C ATOM 1325 C ILE A 88 -7.092 -5.102 4.619 1.00 0.00 C ATOM 1326 O ILE A 88 -6.635 -5.838 5.494 1.00 0.00 O ATOM 1327 CB ILE A 88 -6.502 -4.847 2.208 1.00 0.00 C ATOM 1328 CG1 ILE A 88 -6.719 -5.382 0.790 1.00 0.00 C ATOM 1329 CG2 ILE A 88 -5.032 -4.927 2.591 1.00 0.00 C ATOM 1330 CD1 ILE A 88 -5.963 -4.612 -0.269 1.00 0.00 C ATOM 0 H ILE A 88 -8.973 -5.227 1.935 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.090 -6.686 3.169 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.807 -3.801 2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.414 -6.428 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.784 -5.353 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.437 -4.367 1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.891 -4.502 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.713 -5.969 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.164 -5.047 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.285 -3.571 -0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.894 -4.663 -0.062 1.00 0.00 H new ATOM 1342 N TYR A 89 -7.381 -3.823 4.827 1.00 0.00 N ATOM 1343 CA TYR A 89 -7.169 -3.193 6.125 1.00 0.00 C ATOM 1344 C TYR A 89 -7.840 -3.995 7.235 1.00 0.00 C ATOM 1345 O TYR A 89 -7.214 -4.330 8.240 1.00 0.00 O ATOM 1346 CB TYR A 89 -7.709 -1.762 6.116 1.00 0.00 C ATOM 1347 CG TYR A 89 -6.778 -0.768 5.460 1.00 0.00 C ATOM 1348 CD1 TYR A 89 -5.613 -0.354 6.095 1.00 0.00 C ATOM 1349 CD2 TYR A 89 -7.063 -0.242 4.207 1.00 0.00 C ATOM 1350 CE1 TYR A 89 -4.760 0.555 5.500 1.00 0.00 C ATOM 1351 CE2 TYR A 89 -6.215 0.667 3.603 1.00 0.00 C ATOM 1352 CZ TYR A 89 -5.065 1.063 4.254 1.00 0.00 C ATOM 1353 OH TYR A 89 -4.217 1.967 3.658 1.00 0.00 O ATOM 0 H TYR A 89 -7.763 -3.202 4.114 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.096 -3.167 6.317 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.667 -1.747 5.596 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.898 -1.447 7.142 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.371 -0.750 7.070 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.963 -0.549 3.695 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.859 0.866 6.007 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.451 1.065 2.627 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.593 2.320 4.326 1.00 0.00 H new ATOM 1363 N GLN A 90 -9.120 -4.300 7.045 1.00 0.00 N ATOM 1364 CA GLN A 90 -9.878 -5.064 8.030 1.00 0.00 C ATOM 1365 C GLN A 90 -9.122 -6.323 8.442 1.00 0.00 C ATOM 1366 O GLN A 90 -8.727 -6.470 9.599 1.00 0.00 O ATOM 1367 CB GLN A 90 -11.251 -5.438 7.469 1.00 0.00 C ATOM 1368 CG GLN A 90 -12.320 -4.387 7.722 1.00 0.00 C ATOM 1369 CD GLN A 90 -13.724 -4.927 7.538 1.00 0.00 C ATOM 1370 OE1 GLN A 90 -14.086 -5.394 6.457 1.00 0.00 O ATOM 1371 NE2 GLN A 90 -14.525 -4.866 8.595 1.00 0.00 N ATOM 0 H GLN A 90 -9.654 -4.030 6.219 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.013 -4.439 8.913 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.163 -5.603 6.395 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.570 -6.382 7.911 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.213 -4.002 8.736 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.166 -3.547 7.044 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.184 -4.471 9.471 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -15.482 -5.214 8.531 1.00 0.00 H new ATOM 1380 N ASP A 91 -8.925 -7.227 7.488 1.00 0.00 N ATOM 1381 CA ASP A 91 -8.216 -8.474 7.752 1.00 0.00 C ATOM 1382 C ASP A 91 -7.047 -8.648 6.788 1.00 0.00 C ATOM 1383 O ASP A 91 -7.140 -9.393 5.813 1.00 0.00 O ATOM 1384 CB ASP A 91 -9.171 -9.663 7.635 1.00 0.00 C ATOM 1385 CG ASP A 91 -10.574 -9.328 8.106 1.00 0.00 C ATOM 1386 OD1 ASP A 91 -10.783 -9.252 9.334 1.00 0.00 O ATOM 1387 OD2 ASP A 91 -11.460 -9.144 7.247 1.00 0.00 O ATOM 0 H ASP A 91 -9.246 -7.120 6.526 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.823 -8.432 8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -9.209 -9.994 6.597 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.783 -10.496 8.222 1.00 0.00 H new ATOM 1392 N ARG A 92 -5.948 -7.955 7.068 1.00 0.00 N ATOM 1393 CA ARG A 92 -4.761 -8.031 6.225 1.00 0.00 C ATOM 1394 C ARG A 92 -3.944 -9.280 6.547 1.00 0.00 C ATOM 1395 O ARG A 92 -3.191 -9.774 5.709 1.00 0.00 O ATOM 1396 CB ARG A 92 -3.897 -6.783 6.409 1.00 0.00 C ATOM 1397 CG ARG A 92 -3.094 -6.782 7.700 1.00 0.00 C ATOM 1398 CD ARG A 92 -3.789 -5.977 8.787 1.00 0.00 C ATOM 1399 NE ARG A 92 -3.107 -6.094 10.074 1.00 0.00 N ATOM 1400 CZ ARG A 92 -2.074 -5.339 10.430 1.00 0.00 C ATOM 1401 NH1 ARG A 92 -1.606 -4.417 9.601 1.00 0.00 N ATOM 1402 NH2 ARG A 92 -1.507 -5.505 11.618 1.00 0.00 N ATOM 0 H ARG A 92 -5.855 -7.335 7.872 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.088 -8.088 5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.212 -6.698 5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.538 -5.902 6.389 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.950 -7.807 8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.104 -6.366 7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.830 -4.928 8.492 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.819 -6.319 8.890 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.443 -6.794 10.735 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.039 -4.286 8.687 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.813 -3.839 9.877 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.864 -6.213 12.259 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.714 -4.924 11.890 1.00 0.00 H new ATOM 1416 N ASP A 93 -4.101 -9.784 7.766 1.00 0.00 N ATOM 1417 CA ASP A 93 -3.379 -10.975 8.199 1.00 0.00 C ATOM 1418 C ASP A 93 -3.654 -12.147 7.263 1.00 0.00 C ATOM 1419 O ASP A 93 -2.727 -12.797 6.779 1.00 0.00 O ATOM 1420 CB ASP A 93 -3.775 -11.345 9.629 1.00 0.00 C ATOM 1421 CG ASP A 93 -3.275 -10.339 10.648 1.00 0.00 C ATOM 1422 OD1 ASP A 93 -3.464 -9.125 10.424 1.00 0.00 O ATOM 1423 OD2 ASP A 93 -2.692 -10.764 11.667 1.00 0.00 O ATOM 0 H ASP A 93 -4.721 -9.387 8.472 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.312 -10.754 8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.861 -11.416 9.695 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.376 -12.330 9.870 1.00 0.00 H new ATOM 1428 N GLN A 94 -4.932 -12.413 7.014 1.00 0.00 N ATOM 1429 CA GLN A 94 -5.328 -13.509 6.138 1.00 0.00 C ATOM 1430 C GLN A 94 -4.784 -13.301 4.727 1.00 0.00 C ATOM 1431 O GLN A 94 -4.199 -14.209 4.138 1.00 0.00 O ATOM 1432 CB GLN A 94 -6.853 -13.632 6.096 1.00 0.00 C ATOM 1433 CG GLN A 94 -7.350 -14.713 5.150 1.00 0.00 C ATOM 1434 CD GLN A 94 -7.014 -16.110 5.633 1.00 0.00 C ATOM 1435 OE1 GLN A 94 -6.085 -16.766 4.947 1.00 0.00 O flip ATOM 1436 NE2 GLN A 94 -7.583 -16.594 6.612 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.711 -11.884 7.407 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.907 -14.431 6.539 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.220 -13.843 7.100 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.278 -12.674 5.796 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.430 -14.622 5.036 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.911 -14.558 4.164 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.291 -16.054 7.109 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.346 -17.535 6.926 1.00 0.00 H new ATOM 1445 N PHE A 95 -4.981 -12.101 4.193 1.00 0.00 N ATOM 1446 CA PHE A 95 -4.512 -11.775 2.851 1.00 0.00 C ATOM 1447 C PHE A 95 -3.119 -12.347 2.609 1.00 0.00 C ATOM 1448 O PHE A 95 -2.901 -13.095 1.657 1.00 0.00 O ATOM 1449 CB PHE A 95 -4.495 -10.258 2.649 1.00 0.00 C ATOM 1450 CG PHE A 95 -3.609 -9.814 1.521 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -3.701 -10.410 0.274 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -2.683 -8.800 1.708 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -2.887 -10.004 -0.767 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -1.866 -8.389 0.671 1.00 0.00 C ATOM 1455 CZ PHE A 95 -1.968 -8.993 -0.568 1.00 0.00 C ATOM 0 H PHE A 95 -5.462 -11.338 4.669 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.199 -12.223 2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.512 -9.913 2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.163 -9.780 3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.418 -11.202 0.113 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.599 -8.326 2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.970 -10.477 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.149 -7.597 0.829 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.330 -8.675 -1.379 1.00 0.00 H new ATOM 1465 N ALA A 96 -2.179 -11.989 3.477 1.00 0.00 N ATOM 1466 CA ALA A 96 -0.807 -12.467 3.359 1.00 0.00 C ATOM 1467 C ALA A 96 -0.771 -13.961 3.051 1.00 0.00 C ATOM 1468 O ALA A 96 -0.051 -14.403 2.156 1.00 0.00 O ATOM 1469 CB ALA A 96 -0.033 -12.172 4.635 1.00 0.00 C ATOM 0 H ALA A 96 -2.343 -11.369 4.270 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.335 -11.939 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.990 -12.535 4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.021 -11.097 4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.513 -12.673 5.476 1.00 0.00 H new ATOM 1475 N LYS A 97 -1.552 -14.733 3.797 1.00 0.00 N ATOM 1476 CA LYS A 97 -1.611 -16.177 3.604 1.00 0.00 C ATOM 1477 C LYS A 97 -1.920 -16.519 2.150 1.00 0.00 C ATOM 1478 O LYS A 97 -1.155 -17.226 1.492 1.00 0.00 O ATOM 1479 CB LYS A 97 -2.672 -16.792 4.520 1.00 0.00 C ATOM 1480 CG LYS A 97 -2.370 -18.225 4.924 1.00 0.00 C ATOM 1481 CD LYS A 97 -3.181 -18.645 6.139 1.00 0.00 C ATOM 1482 CE LYS A 97 -2.679 -17.965 7.405 1.00 0.00 C ATOM 1483 NZ LYS A 97 -1.241 -18.257 7.659 1.00 0.00 N ATOM 0 H LYS A 97 -2.154 -14.383 4.542 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.636 -16.592 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.762 -16.181 5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.638 -16.761 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.589 -18.893 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.307 -18.326 5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.230 -18.395 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.125 -19.727 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.821 -16.888 7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.273 -18.298 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.018 -18.063 8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.048 -19.257 7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.652 -17.655 7.049 1.00 0.00 H new ATOM 1497 N LEU A 98 -3.044 -16.014 1.654 1.00 0.00 N ATOM 1498 CA LEU A 98 -3.453 -16.265 0.276 1.00 0.00 C ATOM 1499 C LEU A 98 -2.258 -16.185 -0.670 1.00 0.00 C ATOM 1500 O LEU A 98 -2.241 -16.828 -1.719 1.00 0.00 O ATOM 1501 CB LEU A 98 -4.523 -15.259 -0.150 1.00 0.00 C ATOM 1502 CG LEU A 98 -5.971 -15.658 0.135 1.00 0.00 C ATOM 1503 CD1 LEU A 98 -6.247 -15.634 1.631 1.00 0.00 C ATOM 1504 CD2 LEU A 98 -6.934 -14.738 -0.602 1.00 0.00 C ATOM 0 H LEU A 98 -3.689 -15.428 2.185 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.868 -17.272 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.323 -14.312 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.420 -15.081 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.125 -16.675 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.282 -15.921 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.582 -16.335 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.075 -14.629 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.960 -15.037 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.779 -13.710 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.753 -14.806 -1.675 1.00 0.00 H new ATOM 1516 N VAL A 99 -1.261 -15.393 -0.289 1.00 0.00 N ATOM 1517 CA VAL A 99 -0.061 -15.231 -1.102 1.00 0.00 C ATOM 1518 C VAL A 99 0.949 -16.338 -0.817 1.00 0.00 C ATOM 1519 O VAL A 99 1.580 -16.866 -1.732 1.00 0.00 O ATOM 1520 CB VAL A 99 0.607 -13.866 -0.851 1.00 0.00 C ATOM 1521 CG1 VAL A 99 1.671 -13.590 -1.902 1.00 0.00 C ATOM 1522 CG2 VAL A 99 -0.435 -12.759 -0.833 1.00 0.00 C ATOM 0 H VAL A 99 -1.260 -14.854 0.577 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.375 -15.288 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 99 1.093 -13.893 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.132 -12.621 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.433 -14.369 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.212 -13.582 -2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.054 -11.802 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.951 -12.729 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.156 -12.951 -0.039 1.00 0.00 H new ATOM 1532 N ARG A 100 1.094 -16.685 0.458 1.00 0.00 N ATOM 1533 CA ARG A 100 2.027 -17.730 0.863 1.00 0.00 C ATOM 1534 C ARG A 100 1.571 -19.094 0.355 1.00 0.00 C ATOM 1535 O ARG A 100 2.390 -19.931 -0.022 1.00 0.00 O ATOM 1536 CB ARG A 100 2.161 -17.760 2.386 1.00 0.00 C ATOM 1537 CG ARG A 100 1.128 -18.641 3.071 1.00 0.00 C ATOM 1538 CD ARG A 100 1.441 -18.822 4.548 1.00 0.00 C ATOM 1539 NE ARG A 100 0.758 -19.981 5.115 1.00 0.00 N ATOM 1540 CZ ARG A 100 1.232 -21.220 5.050 1.00 0.00 C ATOM 1541 NH1 ARG A 100 2.387 -21.459 4.445 1.00 0.00 N ATOM 1542 NH2 ARG A 100 0.550 -22.222 5.590 1.00 0.00 N ATOM 0 H ARG A 100 0.578 -16.258 1.227 1.00 0.00 H new ATOM 0 HA ARG A 100 2.999 -17.505 0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.158 -18.113 2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.072 -16.744 2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.139 -18.197 2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.098 -19.615 2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.517 -18.936 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.147 -17.925 5.093 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.133 -19.831 5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.913 -20.691 4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.750 -22.411 4.396 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.339 -22.041 6.056 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.915 -23.173 5.539 1.00 0.00 H new ATOM 1556 N GLU A 101 0.259 -19.309 0.347 1.00 0.00 N ATOM 1557 CA GLU A 101 -0.305 -20.572 -0.115 1.00 0.00 C ATOM 1558 C GLU A 101 -0.156 -20.714 -1.626 1.00 0.00 C ATOM 1559 O GLU A 101 0.266 -21.758 -2.125 1.00 0.00 O ATOM 1560 CB GLU A 101 -1.782 -20.669 0.274 1.00 0.00 C ATOM 1561 CG GLU A 101 -2.616 -19.492 -0.202 1.00 0.00 C ATOM 1562 CD GLU A 101 -3.262 -19.744 -1.551 1.00 0.00 C ATOM 1563 OE1 GLU A 101 -2.862 -20.714 -2.229 1.00 0.00 O ATOM 1564 OE2 GLU A 101 -4.167 -18.972 -1.929 1.00 0.00 O ATOM 0 H GLU A 101 -0.433 -18.625 0.655 1.00 0.00 H new ATOM 0 HA GLU A 101 0.244 -21.382 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.198 -21.588 -0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.859 -20.743 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.391 -19.279 0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.985 -18.606 -0.265 1.00 0.00 H new ATOM 1571 N VAL A 102 -0.506 -19.656 -2.352 1.00 0.00 N ATOM 1572 CA VAL A 102 -0.412 -19.662 -3.807 1.00 0.00 C ATOM 1573 C VAL A 102 1.043 -19.693 -4.263 1.00 0.00 C ATOM 1574 O VAL A 102 1.356 -20.194 -5.342 1.00 0.00 O ATOM 1575 CB VAL A 102 -1.104 -18.430 -4.419 1.00 0.00 C ATOM 1576 CG1 VAL A 102 -0.494 -17.148 -3.874 1.00 0.00 C ATOM 1577 CG2 VAL A 102 -1.015 -18.470 -5.938 1.00 0.00 C ATOM 0 H VAL A 102 -0.857 -18.784 -1.956 1.00 0.00 H new ATOM 0 HA VAL A 102 -0.918 -20.563 -4.154 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.157 -18.449 -4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.996 -16.289 -4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.615 -17.119 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.567 -17.116 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.509 -17.592 -6.355 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.032 -18.475 -6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.504 -19.371 -6.308 1.00 0.00 H new ATOM 1587 N ALA A 103 1.929 -19.153 -3.432 1.00 0.00 N ATOM 1588 CA ALA A 103 3.352 -19.119 -3.749 1.00 0.00 C ATOM 1589 C ALA A 103 4.039 -20.412 -3.322 1.00 0.00 C ATOM 1590 O ALA A 103 4.903 -20.930 -4.029 1.00 0.00 O ATOM 1591 CB ALA A 103 4.013 -17.922 -3.083 1.00 0.00 C ATOM 0 H ALA A 103 1.687 -18.733 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 103 3.457 -19.022 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.075 -17.910 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.547 -17.004 -3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.891 -17.994 -2.002 1.00 0.00 H new ATOM 1597 N ALA A 104 3.651 -20.928 -2.161 1.00 0.00 N ATOM 1598 CA ALA A 104 4.228 -22.160 -1.640 1.00 0.00 C ATOM 1599 C ALA A 104 4.577 -23.122 -2.770 1.00 0.00 C ATOM 1600 O ALA A 104 5.732 -23.511 -2.952 1.00 0.00 O ATOM 1601 CB ALA A 104 3.269 -22.820 -0.659 1.00 0.00 C ATOM 0 H ALA A 104 2.938 -20.511 -1.563 1.00 0.00 H new ATOM 0 HA ALA A 104 5.149 -21.907 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.714 -23.739 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 104 3.073 -22.141 0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.333 -23.053 -1.166 1.00 0.00 H new ATOM 1607 N PRO A 105 3.559 -23.518 -3.547 1.00 0.00 N ATOM 1608 CA PRO A 105 3.735 -24.441 -4.673 1.00 0.00 C ATOM 1609 C PRO A 105 4.499 -23.806 -5.829 1.00 0.00 C ATOM 1610 O PRO A 105 5.234 -24.484 -6.547 1.00 0.00 O ATOM 1611 CB PRO A 105 2.299 -24.765 -5.093 1.00 0.00 C ATOM 1612 CG PRO A 105 1.499 -23.590 -4.646 1.00 0.00 C ATOM 1613 CD PRO A 105 2.157 -23.096 -3.387 1.00 0.00 C ATOM 0 HA PRO A 105 4.320 -25.318 -4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.225 -24.908 -6.171 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.948 -25.684 -4.625 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.486 -22.813 -5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.463 -23.871 -4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.072 -22.014 -3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.704 -23.535 -2.498 1.00 0.00 H new ATOM 1621 N ASP A 106 4.319 -22.500 -6.004 1.00 0.00 N ATOM 1622 CA ASP A 106 4.994 -21.773 -7.073 1.00 0.00 C ATOM 1623 C ASP A 106 6.509 -21.850 -6.911 1.00 0.00 C ATOM 1624 O ASP A 106 7.224 -22.234 -7.837 1.00 0.00 O ATOM 1625 CB ASP A 106 4.544 -20.311 -7.086 1.00 0.00 C ATOM 1626 CG ASP A 106 4.773 -19.647 -8.430 1.00 0.00 C ATOM 1627 OD1 ASP A 106 4.511 -20.295 -9.464 1.00 0.00 O ATOM 1628 OD2 ASP A 106 5.217 -18.479 -8.447 1.00 0.00 O ATOM 0 H ASP A 106 3.712 -21.925 -5.420 1.00 0.00 H new ATOM 0 HA ASP A 106 4.724 -22.237 -8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.485 -20.257 -6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 106 5.084 -19.761 -6.315 1.00 0.00 H new ATOM 1633 N VAL A 107 6.993 -21.481 -5.730 1.00 0.00 N ATOM 1634 CA VAL A 107 8.423 -21.508 -5.447 1.00 0.00 C ATOM 1635 C VAL A 107 8.976 -22.925 -5.547 1.00 0.00 C ATOM 1636 O VAL A 107 10.046 -23.146 -6.112 1.00 0.00 O ATOM 1637 CB VAL A 107 8.728 -20.948 -4.044 1.00 0.00 C ATOM 1638 CG1 VAL A 107 8.462 -19.451 -3.999 1.00 0.00 C ATOM 1639 CG2 VAL A 107 7.909 -21.676 -2.990 1.00 0.00 C ATOM 0 H VAL A 107 6.416 -21.160 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 107 8.906 -20.879 -6.195 1.00 0.00 H new ATOM 0 HB VAL A 107 9.783 -21.112 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.683 -19.072 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.097 -18.947 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.415 -19.260 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.137 -21.267 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.847 -21.545 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 107 8.154 -22.738 -3.008 1.00 0.00 H new ATOM 1649 N GLY A 108 8.238 -23.884 -4.996 1.00 0.00 N ATOM 1650 CA GLY A 108 8.670 -25.268 -5.034 1.00 0.00 C ATOM 1651 C GLY A 108 9.340 -25.630 -6.345 1.00 0.00 C ATOM 1652 O GLY A 108 10.449 -26.164 -6.357 1.00 0.00 O ATOM 0 H GLY A 108 7.348 -23.726 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.362 -25.452 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.810 -25.919 -4.877 1.00 0.00 H new ATOM 1656 N ARG A 109 8.664 -25.340 -7.452 1.00 0.00 N ATOM 1657 CA ARG A 109 9.199 -25.643 -8.774 1.00 0.00 C ATOM 1658 C ARG A 109 10.682 -25.290 -8.854 1.00 0.00 C ATOM 1659 O ARG A 109 11.503 -26.110 -9.264 1.00 0.00 O ATOM 1660 CB ARG A 109 8.424 -24.877 -9.848 1.00 0.00 C ATOM 1661 CG ARG A 109 6.956 -25.263 -9.932 1.00 0.00 C ATOM 1662 CD ARG A 109 6.373 -24.944 -11.300 1.00 0.00 C ATOM 1663 NE ARG A 109 6.722 -25.956 -12.292 1.00 0.00 N ATOM 1664 CZ ARG A 109 6.757 -25.723 -13.600 1.00 0.00 C ATOM 1665 NH1 ARG A 109 6.466 -24.517 -14.068 1.00 0.00 N ATOM 1666 NH2 ARG A 109 7.084 -26.696 -14.441 1.00 0.00 N ATOM 0 H ARG A 109 7.746 -24.896 -7.460 1.00 0.00 H new ATOM 0 HA ARG A 109 9.087 -26.713 -8.948 1.00 0.00 H new ATOM 0 HB2 ARG A 109 8.499 -23.809 -9.646 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.893 -25.052 -10.816 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.847 -26.328 -9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.395 -24.732 -9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.288 -24.870 -11.224 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.736 -23.971 -11.631 1.00 0.00 H new ATOM 0 HE ARG A 109 6.952 -26.894 -11.963 1.00 0.00 H new ATOM 0 HH11 ARG A 109 6.215 -23.767 -13.424 1.00 0.00 H new ATOM 0 HH12 ARG A 109 6.493 -24.339 -15.072 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.309 -27.625 -14.084 1.00 0.00 H new ATOM 0 HH22 ARG A 109 7.110 -26.515 -15.445 1.00 0.00 H new ATOM 1680 N MET A 110 11.016 -24.066 -8.459 1.00 0.00 N ATOM 1681 CA MET A 110 12.400 -23.605 -8.486 1.00 0.00 C ATOM 1682 C MET A 110 13.252 -24.389 -7.493 1.00 0.00 C ATOM 1683 O MET A 110 14.374 -24.787 -7.803 1.00 0.00 O ATOM 1684 CB MET A 110 12.469 -22.111 -8.167 1.00 0.00 C ATOM 1685 CG MET A 110 11.550 -21.261 -9.031 1.00 0.00 C ATOM 1686 SD MET A 110 11.893 -19.498 -8.883 1.00 0.00 S ATOM 1687 CE MET A 110 11.531 -19.226 -7.150 1.00 0.00 C ATOM 0 H MET A 110 10.348 -23.375 -8.117 1.00 0.00 H new ATOM 0 HA MET A 110 12.794 -23.773 -9.488 1.00 0.00 H new ATOM 0 HB2 MET A 110 12.211 -21.960 -7.119 1.00 0.00 H new ATOM 0 HB3 MET A 110 13.495 -21.767 -8.296 1.00 0.00 H new ATOM 0 HG2 MET A 110 11.657 -21.562 -10.073 1.00 0.00 H new ATOM 0 HG3 MET A 110 10.514 -21.451 -8.749 1.00 0.00 H new ATOM 0 HE1 MET A 110 11.576 -18.159 -6.932 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.533 -19.601 -6.924 1.00 0.00 H new ATOM 0 HE3 MET A 110 12.264 -19.752 -6.538 1.00 0.00 H new ATOM 1697 N GLY A 111 12.711 -24.607 -6.298 1.00 0.00 N ATOM 1698 CA GLY A 111 13.437 -25.342 -5.278 1.00 0.00 C ATOM 1699 C GLY A 111 13.554 -24.569 -3.980 1.00 0.00 C ATOM 1700 O GLY A 111 14.553 -24.685 -3.270 1.00 0.00 O ATOM 0 H GLY A 111 11.783 -24.288 -6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 111 12.933 -26.290 -5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.435 -25.580 -5.647 1.00 0.00 H new ATOM 1704 N ILE A 112 12.533 -23.778 -3.670 1.00 0.00 N ATOM 1705 CA ILE A 112 12.526 -22.983 -2.448 1.00 0.00 C ATOM 1706 C ILE A 112 11.298 -23.289 -1.599 1.00 0.00 C ATOM 1707 O ILE A 112 10.183 -23.378 -2.113 1.00 0.00 O ATOM 1708 CB ILE A 112 12.560 -21.475 -2.758 1.00 0.00 C ATOM 1709 CG1 ILE A 112 13.835 -21.118 -3.525 1.00 0.00 C ATOM 1710 CG2 ILE A 112 12.467 -20.667 -1.471 1.00 0.00 C ATOM 1711 CD1 ILE A 112 15.082 -21.140 -2.669 1.00 0.00 C ATOM 0 H ILE A 112 11.700 -23.670 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 112 13.424 -23.252 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 112 11.701 -21.229 -3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.960 -21.817 -4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 112 13.721 -20.126 -3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.492 -19.603 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.534 -20.903 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.308 -20.915 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.947 -20.877 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.979 -20.420 -1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.221 -22.138 -2.254 1.00 0.00 H new ATOM 1723 N GLU A 113 11.509 -23.447 -0.296 1.00 0.00 N ATOM 1724 CA GLU A 113 10.417 -23.742 0.625 1.00 0.00 C ATOM 1725 C GLU A 113 10.133 -22.549 1.530 1.00 0.00 C ATOM 1726 O GLU A 113 11.047 -21.967 2.115 1.00 0.00 O ATOM 1727 CB GLU A 113 10.753 -24.971 1.472 1.00 0.00 C ATOM 1728 CG GLU A 113 9.725 -25.264 2.553 1.00 0.00 C ATOM 1729 CD GLU A 113 8.606 -26.163 2.064 1.00 0.00 C ATOM 1730 OE1 GLU A 113 8.165 -25.989 0.909 1.00 0.00 O ATOM 1731 OE2 GLU A 113 8.171 -27.042 2.838 1.00 0.00 O ATOM 0 H GLU A 113 12.426 -23.376 0.146 1.00 0.00 H new ATOM 0 HA GLU A 113 9.524 -23.950 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.839 -25.840 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.727 -24.825 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.220 -25.735 3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.302 -24.325 2.911 1.00 0.00 H new ATOM 1738 N ILE A 114 8.858 -22.188 1.641 1.00 0.00 N ATOM 1739 CA ILE A 114 8.452 -21.064 2.476 1.00 0.00 C ATOM 1740 C ILE A 114 8.156 -21.517 3.902 1.00 0.00 C ATOM 1741 O ILE A 114 7.573 -22.580 4.118 1.00 0.00 O ATOM 1742 CB ILE A 114 7.208 -20.358 1.904 1.00 0.00 C ATOM 1743 CG1 ILE A 114 5.990 -21.280 1.985 1.00 0.00 C ATOM 1744 CG2 ILE A 114 7.459 -19.926 0.467 1.00 0.00 C ATOM 1745 CD1 ILE A 114 5.173 -21.092 3.244 1.00 0.00 C ATOM 0 H ILE A 114 8.089 -22.658 1.163 1.00 0.00 H new ATOM 0 HA ILE A 114 9.285 -20.361 2.486 1.00 0.00 H new ATOM 0 HB ILE A 114 7.006 -19.468 2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.353 -21.104 1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.324 -22.316 1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.571 -19.429 0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.304 -19.238 0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.682 -20.802 -0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.326 -21.778 3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.795 -21.297 4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.809 -20.066 3.291 1.00 0.00 H new ATOM 1757 N LEU A 115 8.560 -20.703 4.870 1.00 0.00 N ATOM 1758 CA LEU A 115 8.335 -21.018 6.277 1.00 0.00 C ATOM 1759 C LEU A 115 6.994 -20.466 6.753 1.00 0.00 C ATOM 1760 O LEU A 115 6.153 -21.206 7.261 1.00 0.00 O ATOM 1761 CB LEU A 115 9.467 -20.449 7.134 1.00 0.00 C ATOM 1762 CG LEU A 115 10.838 -21.101 6.955 1.00 0.00 C ATOM 1763 CD1 LEU A 115 10.759 -22.595 7.230 1.00 0.00 C ATOM 1764 CD2 LEU A 115 11.372 -20.843 5.554 1.00 0.00 C ATOM 0 H LEU A 115 9.045 -19.820 4.707 1.00 0.00 H new ATOM 0 HA LEU A 115 8.317 -22.103 6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.562 -19.385 6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.180 -20.535 8.182 1.00 0.00 H new ATOM 0 HG LEU A 115 11.527 -20.656 7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.744 -23.042 7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.421 -22.759 8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.055 -23.056 6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.349 -21.314 5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.683 -21.260 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 115 11.467 -19.769 5.393 1.00 0.00 H new ATOM 1776 N SER A 116 6.804 -19.162 6.581 1.00 0.00 N ATOM 1777 CA SER A 116 5.566 -18.511 6.994 1.00 0.00 C ATOM 1778 C SER A 116 5.373 -17.191 6.251 1.00 0.00 C ATOM 1779 O SER A 116 6.247 -16.753 5.502 1.00 0.00 O ATOM 1780 CB SER A 116 5.574 -18.262 8.503 1.00 0.00 C ATOM 1781 OG SER A 116 4.257 -18.245 9.024 1.00 0.00 O ATOM 0 H SER A 116 7.490 -18.536 6.159 1.00 0.00 H new ATOM 0 HA SER A 116 4.736 -19.173 6.747 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.155 -19.039 9.000 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.065 -17.312 8.715 1.00 0.00 H new ATOM 0 HG SER A 116 4.290 -18.086 9.990 1.00 0.00 H new ATOM 1787 N PHE A 117 4.222 -16.563 6.464 1.00 0.00 N ATOM 1788 CA PHE A 117 3.911 -15.294 5.815 1.00 0.00 C ATOM 1789 C PHE A 117 3.035 -14.424 6.711 1.00 0.00 C ATOM 1790 O PHE A 117 1.923 -14.810 7.075 1.00 0.00 O ATOM 1791 CB PHE A 117 3.209 -15.540 4.478 1.00 0.00 C ATOM 1792 CG PHE A 117 3.324 -14.388 3.520 1.00 0.00 C ATOM 1793 CD1 PHE A 117 3.002 -13.102 3.922 1.00 0.00 C ATOM 1794 CD2 PHE A 117 3.754 -14.593 2.219 1.00 0.00 C ATOM 1795 CE1 PHE A 117 3.108 -12.041 3.042 1.00 0.00 C ATOM 1796 CE2 PHE A 117 3.861 -13.535 1.335 1.00 0.00 C ATOM 1797 CZ PHE A 117 3.538 -12.257 1.747 1.00 0.00 C ATOM 0 H PHE A 117 3.489 -16.912 7.081 1.00 0.00 H new ATOM 0 HA PHE A 117 4.848 -14.768 5.634 1.00 0.00 H new ATOM 0 HB2 PHE A 117 3.631 -16.432 4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 117 2.154 -15.745 4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.665 -12.927 4.933 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.008 -15.590 1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.855 -11.043 3.367 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.197 -13.708 0.323 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.621 -11.429 1.059 1.00 0.00 H new ATOM 1807 N THR A 118 3.544 -13.249 7.067 1.00 0.00 N ATOM 1808 CA THR A 118 2.810 -12.325 7.921 1.00 0.00 C ATOM 1809 C THR A 118 2.887 -10.901 7.385 1.00 0.00 C ATOM 1810 O THR A 118 3.651 -10.615 6.462 1.00 0.00 O ATOM 1811 CB THR A 118 3.348 -12.348 9.364 1.00 0.00 C ATOM 1812 OG1 THR A 118 3.590 -13.697 9.777 1.00 0.00 O ATOM 1813 CG2 THR A 118 2.363 -11.690 10.319 1.00 0.00 C ATOM 0 H THR A 118 4.463 -12.915 6.776 1.00 0.00 H new ATOM 0 HA THR A 118 1.771 -12.653 7.922 1.00 0.00 H new ATOM 0 HB THR A 118 4.283 -11.789 9.387 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.933 -13.702 10.695 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.764 -11.718 11.332 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.204 -10.654 10.020 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.414 -12.226 10.290 1.00 0.00 H new ATOM 1821 N ILE A 119 2.091 -10.011 7.967 1.00 0.00 N ATOM 1822 CA ILE A 119 2.071 -8.614 7.548 1.00 0.00 C ATOM 1823 C ILE A 119 2.892 -7.745 8.493 1.00 0.00 C ATOM 1824 O ILE A 119 2.830 -7.903 9.712 1.00 0.00 O ATOM 1825 CB ILE A 119 0.633 -8.067 7.483 1.00 0.00 C ATOM 1826 CG1 ILE A 119 -0.202 -8.883 6.494 1.00 0.00 C ATOM 1827 CG2 ILE A 119 0.643 -6.597 7.088 1.00 0.00 C ATOM 1828 CD1 ILE A 119 0.480 -9.101 5.161 1.00 0.00 C ATOM 0 H ILE A 119 1.451 -10.232 8.730 1.00 0.00 H new ATOM 0 HA ILE A 119 2.510 -8.577 6.551 1.00 0.00 H new ATOM 0 HB ILE A 119 0.181 -8.155 8.471 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.432 -9.852 6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -1.152 -8.375 6.328 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.381 -6.225 7.046 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.207 -6.026 7.825 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.110 -6.486 6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -0.170 -9.687 4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 119 0.685 -8.137 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 119 1.417 -9.636 5.315 1.00 0.00 H new ATOM 1840 N LYS A 120 3.660 -6.822 7.923 1.00 0.00 N ATOM 1841 CA LYS A 120 4.492 -5.923 8.714 1.00 0.00 C ATOM 1842 C LYS A 120 3.821 -4.564 8.878 1.00 0.00 C ATOM 1843 O LYS A 120 3.672 -4.065 9.993 1.00 0.00 O ATOM 1844 CB LYS A 120 5.863 -5.751 8.054 1.00 0.00 C ATOM 1845 CG LYS A 120 6.709 -4.659 8.687 1.00 0.00 C ATOM 1846 CD LYS A 120 7.566 -5.202 9.817 1.00 0.00 C ATOM 1847 CE LYS A 120 6.838 -5.134 11.152 1.00 0.00 C ATOM 1848 NZ LYS A 120 7.031 -3.818 11.821 1.00 0.00 N ATOM 0 H LYS A 120 3.723 -6.677 6.915 1.00 0.00 H new ATOM 0 HA LYS A 120 4.624 -6.365 9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 120 6.404 -6.696 8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 120 5.723 -5.524 6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.349 -4.208 7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 120 6.061 -3.870 9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 120 7.840 -6.235 9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 120 8.493 -4.632 9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 120 5.774 -5.309 10.995 1.00 0.00 H new ATOM 0 HE3 LYS A 120 7.199 -5.929 11.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 6.520 -3.811 12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 8.045 -3.662 11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 6.663 -3.061 11.210 1.00 0.00 H new ATOM 1862 N ASP A 121 3.415 -3.971 7.761 1.00 0.00 N ATOM 1863 CA ASP A 121 2.755 -2.670 7.782 1.00 0.00 C ATOM 1864 C ASP A 121 2.012 -2.417 6.473 1.00 0.00 C ATOM 1865 O ASP A 121 2.479 -2.794 5.399 1.00 0.00 O ATOM 1866 CB ASP A 121 3.780 -1.559 8.023 1.00 0.00 C ATOM 1867 CG ASP A 121 3.974 -1.261 9.497 1.00 0.00 C ATOM 1868 OD1 ASP A 121 2.960 -1.064 10.199 1.00 0.00 O ATOM 1869 OD2 ASP A 121 5.137 -1.225 9.948 1.00 0.00 O ATOM 0 H ASP A 121 3.531 -4.370 6.829 1.00 0.00 H new ATOM 0 HA ASP A 121 2.031 -2.670 8.597 1.00 0.00 H new ATOM 0 HB2 ASP A 121 4.735 -1.848 7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 121 3.456 -0.653 7.511 1.00 0.00 H new ATOM 1874 N VAL A 122 0.852 -1.776 6.573 1.00 0.00 N ATOM 1875 CA VAL A 122 0.043 -1.472 5.399 1.00 0.00 C ATOM 1876 C VAL A 122 -0.522 -0.058 5.472 1.00 0.00 C ATOM 1877 O VAL A 122 -1.263 0.278 6.397 1.00 0.00 O ATOM 1878 CB VAL A 122 -1.119 -2.471 5.243 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -1.991 -2.095 4.056 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -0.586 -3.888 5.098 1.00 0.00 C ATOM 0 H VAL A 122 0.451 -1.457 7.455 1.00 0.00 H new ATOM 0 HA VAL A 122 0.700 -1.553 4.533 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.735 -2.430 6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.806 -2.812 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.401 -1.097 4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.391 -2.106 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.420 -4.581 4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.053 -3.948 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.009 -4.152 5.984 1.00 0.00 H new ATOM 1890 N TYR A 123 -0.171 0.766 4.491 1.00 0.00 N ATOM 1891 CA TYR A 123 -0.642 2.144 4.445 1.00 0.00 C ATOM 1892 C TYR A 123 -1.085 2.522 3.034 1.00 0.00 C ATOM 1893 O TYR A 123 -0.873 1.769 2.083 1.00 0.00 O ATOM 1894 CB TYR A 123 0.457 3.097 4.919 1.00 0.00 C ATOM 1895 CG TYR A 123 1.840 2.706 4.453 1.00 0.00 C ATOM 1896 CD1 TYR A 123 2.544 1.684 5.082 1.00 0.00 C ATOM 1897 CD2 TYR A 123 2.446 3.356 3.385 1.00 0.00 C ATOM 1898 CE1 TYR A 123 3.808 1.324 4.660 1.00 0.00 C ATOM 1899 CE2 TYR A 123 3.710 3.001 2.955 1.00 0.00 C ATOM 1900 CZ TYR A 123 4.387 1.984 3.596 1.00 0.00 C ATOM 1901 OH TYR A 123 5.647 1.628 3.172 1.00 0.00 O ATOM 0 H TYR A 123 0.439 0.503 3.717 1.00 0.00 H new ATOM 0 HA TYR A 123 -1.501 2.230 5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 123 0.233 4.102 4.562 1.00 0.00 H new ATOM 0 HB3 TYR A 123 0.447 3.136 6.008 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.094 1.164 5.914 1.00 0.00 H new ATOM 0 HD2 TYR A 123 1.919 4.153 2.882 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.341 0.529 5.161 1.00 0.00 H new ATOM 0 HE2 TYR A 123 4.165 3.516 2.122 1.00 0.00 H new ATOM 0 HH TYR A 123 5.907 2.190 2.412 1.00 0.00 H new ATOM 1911 N ASP A 124 -1.699 3.693 2.908 1.00 0.00 N ATOM 1912 CA ASP A 124 -2.170 4.174 1.615 1.00 0.00 C ATOM 1913 C ASP A 124 -1.334 5.356 1.136 1.00 0.00 C ATOM 1914 O ASP A 124 -1.265 6.390 1.800 1.00 0.00 O ATOM 1915 CB ASP A 124 -3.643 4.576 1.702 1.00 0.00 C ATOM 1916 CG ASP A 124 -3.913 5.538 2.843 1.00 0.00 C ATOM 1917 OD1 ASP A 124 -3.045 5.664 3.730 1.00 0.00 O ATOM 1918 OD2 ASP A 124 -4.993 6.164 2.846 1.00 0.00 O ATOM 0 H ASP A 124 -1.882 4.327 3.686 1.00 0.00 H new ATOM 0 HA ASP A 124 -2.065 3.363 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.947 5.037 0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.254 3.682 1.831 1.00 0.00 H new