USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 576 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 37 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0425) USER MOD Single : A 12 TYR OH : rot 30:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -179:sc= -2.48 USER MOD Single : A 22 MET CE :methyl -109:sc= -2.14 (180deg=-5.01!) USER MOD Single : A 23 THR OG1 : rot 63:sc= -2.64! USER MOD Single : A 24 THR OG1 : rot -70:sc= -1.71 USER MOD Single : A 25 LYS NZ :NH3+ 164:sc=-0.00533 (180deg=-0.145) USER MOD Single : A 27 THR OG1 : rot -170:sc= -1.28 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.77 K(o=-1.8,f=-6.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.46 K(o=-3.5,f=-2.9!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -166:sc= 0 (180deg=-0.469) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.46) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.21 K(o=-1.2,f=-8.3!) USER MOD Single : A 75 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0239) USER MOD Single : A 77 SER OG : rot 160:sc= -0.935 USER MOD Single : A 78 GLN : amide:sc= -0.0641 K(o=-0.064,f=-0.66) USER MOD Single : A 81 LYS NZ :NH3+ 156:sc= -0.0868 (180deg=-0.465) USER MOD Single : A 84 GLN : amide:sc= -0.247 K(o=-0.25,f=-2.4!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 178 N TYR A 12 -14.386 -8.980 -8.195 1.00 0.00 N ATOM 179 CA TYR A 12 -13.168 -8.817 -8.981 1.00 0.00 C ATOM 180 C TYR A 12 -11.958 -9.377 -8.235 1.00 0.00 C ATOM 181 O TYR A 12 -11.282 -8.657 -7.500 1.00 0.00 O ATOM 182 CB TYR A 12 -12.936 -7.340 -9.312 1.00 0.00 C ATOM 183 CG TYR A 12 -13.338 -6.383 -8.206 1.00 0.00 C ATOM 184 CD1 TYR A 12 -13.237 -6.747 -6.869 1.00 0.00 C ATOM 185 CD2 TYR A 12 -13.814 -5.113 -8.503 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.601 -5.874 -5.861 1.00 0.00 C ATOM 187 CE2 TYR A 12 -14.179 -4.232 -7.502 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.070 -4.619 -6.182 1.00 0.00 C ATOM 189 OH TYR A 12 -14.432 -3.747 -5.182 1.00 0.00 O ATOM 0 HA TYR A 12 -13.292 -9.374 -9.910 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.880 -7.192 -9.539 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -13.494 -7.090 -10.214 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -12.868 -7.729 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -13.901 -4.808 -9.535 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -13.518 -6.174 -4.827 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -14.547 -3.248 -7.751 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.894 -3.925 -4.382 1.00 0.00 H new ATOM 199 N PRO A 13 -11.661 -10.671 -8.421 1.00 0.00 N ATOM 200 CA PRO A 13 -10.528 -11.313 -7.766 1.00 0.00 C ATOM 201 C PRO A 13 -9.221 -11.069 -8.509 1.00 0.00 C ATOM 202 O PRO A 13 -8.588 -12.004 -8.999 1.00 0.00 O ATOM 203 CB PRO A 13 -10.911 -12.788 -7.810 1.00 0.00 C ATOM 204 CG PRO A 13 -11.693 -12.929 -9.072 1.00 0.00 C ATOM 205 CD PRO A 13 -12.402 -11.612 -9.284 1.00 0.00 C ATOM 0 HA PRO A 13 -10.351 -10.931 -6.761 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.029 -13.428 -7.815 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.505 -13.071 -6.941 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.037 -13.156 -9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.409 -13.748 -8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.372 -11.305 -10.329 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.453 -11.673 -9.000 1.00 0.00 H new ATOM 213 N CYS A 14 -8.825 -9.803 -8.595 1.00 0.00 N ATOM 214 CA CYS A 14 -7.594 -9.436 -9.286 1.00 0.00 C ATOM 215 C CYS A 14 -6.863 -8.316 -8.551 1.00 0.00 C ATOM 216 O CYS A 14 -7.372 -7.761 -7.578 1.00 0.00 O ATOM 217 CB CYS A 14 -7.901 -9.006 -10.721 1.00 0.00 C ATOM 218 SG CYS A 14 -6.717 -9.618 -11.944 1.00 0.00 S ATOM 0 H CYS A 14 -9.337 -9.016 -8.196 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.945 -10.312 -9.305 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.898 -9.357 -10.989 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.923 -7.917 -10.766 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.062 -9.204 -13.127 1.00 0.00 H new ATOM 224 N LEU A 15 -5.666 -7.991 -9.028 1.00 0.00 N ATOM 225 CA LEU A 15 -4.860 -6.937 -8.422 1.00 0.00 C ATOM 226 C LEU A 15 -5.381 -5.559 -8.817 1.00 0.00 C ATOM 227 O LEU A 15 -5.467 -5.234 -10.002 1.00 0.00 O ATOM 228 CB LEU A 15 -3.394 -7.084 -8.842 1.00 0.00 C ATOM 229 CG LEU A 15 -2.383 -7.040 -7.696 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.168 -7.892 -8.024 1.00 0.00 C ATOM 231 CD2 LEU A 15 -1.969 -5.604 -7.409 1.00 0.00 C ATOM 0 H LEU A 15 -5.232 -8.443 -9.833 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.932 -7.034 -7.339 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.277 -8.029 -9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.153 -6.290 -9.549 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.855 -7.448 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.459 -7.849 -7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.479 -8.925 -8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.693 -7.515 -8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.249 -5.590 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.514 -5.171 -8.300 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.847 -5.021 -7.130 1.00 0.00 H new ATOM 243 N TRP A 16 -5.728 -4.754 -7.819 1.00 0.00 N ATOM 244 CA TRP A 16 -6.239 -3.411 -8.063 1.00 0.00 C ATOM 245 C TRP A 16 -5.345 -2.358 -7.417 1.00 0.00 C ATOM 246 O TRP A 16 -4.836 -2.554 -6.314 1.00 0.00 O ATOM 247 CB TRP A 16 -7.666 -3.281 -7.527 1.00 0.00 C ATOM 248 CG TRP A 16 -8.360 -2.035 -7.987 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.967 -1.096 -7.202 1.00 0.00 C ATOM 250 CD2 TRP A 16 -8.519 -1.591 -9.339 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.492 -0.098 -7.983 1.00 0.00 N ATOM 252 CE2 TRP A 16 -9.231 -0.377 -9.299 1.00 0.00 C ATOM 253 CE3 TRP A 16 -8.127 -2.102 -10.580 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -9.559 0.331 -10.451 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -8.453 -1.397 -11.723 1.00 0.00 C ATOM 256 CH2 TRP A 16 -9.162 -0.192 -11.652 1.00 0.00 C ATOM 0 H TRP A 16 -5.665 -5.008 -6.833 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.244 -3.244 -9.140 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.246 -4.149 -7.842 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.640 -3.293 -6.437 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.025 -1.134 -6.124 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.995 0.720 -7.640 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -7.579 -3.031 -10.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.107 1.260 -10.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -8.156 -1.782 -12.687 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -9.401 0.336 -12.564 1.00 0.00 H new ATOM 267 N ASP A 17 -5.160 -1.240 -8.112 1.00 0.00 N ATOM 268 CA ASP A 17 -4.328 -0.154 -7.605 1.00 0.00 C ATOM 269 C ASP A 17 -5.149 0.799 -6.743 1.00 0.00 C ATOM 270 O ASP A 17 -6.363 0.919 -6.918 1.00 0.00 O ATOM 271 CB ASP A 17 -3.690 0.610 -8.766 1.00 0.00 C ATOM 272 CG ASP A 17 -4.717 1.112 -9.762 1.00 0.00 C ATOM 273 OD1 ASP A 17 -5.475 0.280 -10.302 1.00 0.00 O ATOM 274 OD2 ASP A 17 -4.763 2.338 -10.003 1.00 0.00 O ATOM 0 H ASP A 17 -5.574 -1.062 -9.027 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.540 -0.587 -6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.125 1.456 -8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.979 -0.039 -9.277 1.00 0.00 H new ATOM 279 N TYR A 18 -4.486 1.474 -5.810 1.00 0.00 N ATOM 280 CA TYR A 18 -5.165 2.412 -4.923 1.00 0.00 C ATOM 281 C TYR A 18 -4.428 3.746 -4.867 1.00 0.00 C ATOM 282 O TYR A 18 -3.384 3.865 -4.224 1.00 0.00 O ATOM 283 CB TYR A 18 -5.282 1.820 -3.517 1.00 0.00 C ATOM 284 CG TYR A 18 -6.246 0.658 -3.431 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.614 0.855 -3.577 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.790 -0.635 -3.205 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.499 -0.203 -3.501 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.669 -1.697 -3.127 1.00 0.00 C ATOM 289 CZ TYR A 18 -8.023 -1.476 -3.276 1.00 0.00 C ATOM 290 OH TYR A 18 -8.902 -2.532 -3.200 1.00 0.00 O ATOM 0 H TYR A 18 -3.482 1.390 -5.649 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.164 2.590 -5.321 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.297 1.490 -3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.604 2.601 -2.828 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.991 1.852 -3.753 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.731 -0.812 -3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.559 -0.033 -3.617 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.299 -2.696 -2.950 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.406 -3.358 -3.022 1.00 0.00 H new ATOM 300 N ARG A 19 -4.979 4.748 -5.545 1.00 0.00 N ATOM 301 CA ARG A 19 -4.378 6.077 -5.573 1.00 0.00 C ATOM 302 C ARG A 19 -4.557 6.776 -4.229 1.00 0.00 C ATOM 303 O ARG A 19 -5.643 7.261 -3.911 1.00 0.00 O ATOM 304 CB ARG A 19 -5.002 6.916 -6.689 1.00 0.00 C ATOM 305 CG ARG A 19 -4.383 8.296 -6.833 1.00 0.00 C ATOM 306 CD ARG A 19 -3.227 8.289 -7.822 1.00 0.00 C ATOM 307 NE ARG A 19 -2.899 9.634 -8.291 1.00 0.00 N ATOM 308 CZ ARG A 19 -3.697 10.363 -9.068 1.00 0.00 C ATOM 309 NH1 ARG A 19 -4.868 9.882 -9.466 1.00 0.00 N ATOM 310 NH2 ARG A 19 -3.322 11.576 -9.449 1.00 0.00 N ATOM 0 H ARG A 19 -5.842 4.665 -6.083 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.311 5.968 -5.767 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.901 6.381 -7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.069 7.024 -6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.143 9.004 -7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.029 8.640 -5.861 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.350 7.845 -7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.483 7.660 -8.675 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.007 10.038 -8.006 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.161 8.949 -9.177 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.475 10.445 -10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.423 11.950 -9.147 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.933 12.135 -10.044 1.00 0.00 H new ATOM 324 N VAL A 20 -3.487 6.817 -3.442 1.00 0.00 N ATOM 325 CA VAL A 20 -3.529 7.449 -2.128 1.00 0.00 C ATOM 326 C VAL A 20 -2.499 8.568 -2.014 1.00 0.00 C ATOM 327 O VAL A 20 -1.310 8.355 -2.252 1.00 0.00 O ATOM 328 CB VAL A 20 -3.271 6.426 -1.006 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.562 7.040 0.354 1.00 0.00 C ATOM 330 CG2 VAL A 20 -4.104 5.172 -1.225 1.00 0.00 C ATOM 0 H VAL A 20 -2.581 6.420 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.530 7.867 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.219 6.143 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.374 6.302 1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.916 7.904 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.605 7.354 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.909 4.461 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.162 5.434 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.839 4.722 -2.182 1.00 0.00 H new ATOM 340 N ILE A 21 -2.961 9.759 -1.641 1.00 0.00 N ATOM 341 CA ILE A 21 -2.074 10.907 -1.486 1.00 0.00 C ATOM 342 C ILE A 21 -2.021 11.361 -0.033 1.00 0.00 C ATOM 343 O ILE A 21 -3.046 11.413 0.648 1.00 0.00 O ATOM 344 CB ILE A 21 -2.515 12.102 -2.361 1.00 0.00 C ATOM 345 CG1 ILE A 21 -3.074 11.638 -3.717 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.353 13.061 -2.565 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.347 10.458 -4.332 1.00 0.00 C ATOM 0 H ILE A 21 -3.942 9.953 -1.441 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.086 10.580 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.317 12.621 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.124 11.375 -3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.037 12.474 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.677 13.898 -3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.014 13.433 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.534 12.540 -3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.810 10.202 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.302 10.720 -4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.406 9.603 -3.658 1.00 0.00 H new ATOM 359 N MET A 22 -0.822 11.689 0.440 1.00 0.00 N ATOM 360 CA MET A 22 -0.642 12.136 1.810 1.00 0.00 C ATOM 361 C MET A 22 -0.123 13.565 1.847 1.00 0.00 C ATOM 362 O MET A 22 0.655 13.978 0.987 1.00 0.00 O ATOM 363 CB MET A 22 0.331 11.212 2.547 1.00 0.00 C ATOM 364 CG MET A 22 0.279 9.764 2.083 1.00 0.00 C ATOM 365 SD MET A 22 1.544 9.383 0.856 1.00 0.00 S ATOM 366 CE MET A 22 3.026 9.868 1.736 1.00 0.00 C ATOM 0 H MET A 22 0.037 11.652 -0.109 1.00 0.00 H new ATOM 0 HA MET A 22 -1.611 12.104 2.307 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.345 11.589 2.415 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.114 11.249 3.614 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.403 9.106 2.943 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.705 9.556 1.662 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.433 10.776 1.290 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.783 10.055 2.782 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.765 9.069 1.672 1.00 0.00 H new ATOM 376 N THR A 23 -0.557 14.316 2.851 1.00 0.00 N ATOM 377 CA THR A 23 -0.133 15.701 3.001 1.00 0.00 C ATOM 378 C THR A 23 0.480 15.929 4.379 1.00 0.00 C ATOM 379 O THR A 23 -0.097 16.611 5.225 1.00 0.00 O ATOM 380 CB THR A 23 -1.316 16.648 2.781 1.00 0.00 C ATOM 381 OG1 THR A 23 -2.150 16.688 3.926 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.180 16.258 1.599 1.00 0.00 C ATOM 0 H THR A 23 -1.201 13.990 3.572 1.00 0.00 H new ATOM 0 HA THR A 23 0.626 15.911 2.248 1.00 0.00 H new ATOM 0 HB THR A 23 -0.872 17.623 2.584 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.645 17.046 4.686 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.000 16.969 1.498 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.578 16.266 0.690 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.584 15.258 1.758 1.00 0.00 H new ATOM 390 N THR A 24 1.655 15.351 4.593 1.00 0.00 N ATOM 391 CA THR A 24 2.349 15.487 5.870 1.00 0.00 C ATOM 392 C THR A 24 3.803 15.903 5.665 1.00 0.00 C ATOM 393 O THR A 24 4.391 15.646 4.615 1.00 0.00 O ATOM 394 CB THR A 24 2.291 14.171 6.648 1.00 0.00 C ATOM 395 OG1 THR A 24 1.023 13.556 6.496 1.00 0.00 O ATOM 396 CG2 THR A 24 2.545 14.340 8.130 1.00 0.00 C ATOM 0 H THR A 24 2.147 14.785 3.902 1.00 0.00 H new ATOM 0 HA THR A 24 1.846 16.266 6.443 1.00 0.00 H new ATOM 0 HB THR A 24 3.084 13.552 6.229 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.347 14.078 6.977 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.489 13.369 8.622 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.536 14.768 8.283 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.793 15.005 8.554 1.00 0.00 H new ATOM 404 N LYS A 25 4.375 16.544 6.679 1.00 0.00 N ATOM 405 CA LYS A 25 5.761 16.994 6.617 1.00 0.00 C ATOM 406 C LYS A 25 6.682 16.015 7.338 1.00 0.00 C ATOM 407 O LYS A 25 7.727 16.401 7.861 1.00 0.00 O ATOM 408 CB LYS A 25 5.896 18.389 7.232 1.00 0.00 C ATOM 409 CG LYS A 25 5.580 18.432 8.718 1.00 0.00 C ATOM 410 CD LYS A 25 5.283 19.848 9.185 1.00 0.00 C ATOM 411 CE LYS A 25 3.807 20.185 9.036 1.00 0.00 C ATOM 412 NZ LYS A 25 2.971 19.474 10.043 1.00 0.00 N ATOM 0 H LYS A 25 3.900 16.764 7.554 1.00 0.00 H new ATOM 0 HA LYS A 25 6.056 17.038 5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.913 18.749 7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.230 19.074 6.707 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.723 17.792 8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.422 18.031 9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.579 19.958 10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.879 20.555 8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.668 21.261 9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.473 19.918 8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.033 19.921 10.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.865 18.477 9.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.430 19.527 10.975 1.00 0.00 H new ATOM 426 N ASP A 26 6.284 14.747 7.364 1.00 0.00 N ATOM 427 CA ASP A 26 7.072 13.710 8.021 1.00 0.00 C ATOM 428 C ASP A 26 6.648 12.326 7.543 1.00 0.00 C ATOM 429 O ASP A 26 6.428 11.419 8.346 1.00 0.00 O ATOM 430 CB ASP A 26 6.919 13.811 9.540 1.00 0.00 C ATOM 431 CG ASP A 26 5.483 13.627 9.991 1.00 0.00 C ATOM 432 OD1 ASP A 26 5.065 12.465 10.183 1.00 0.00 O ATOM 433 OD2 ASP A 26 4.775 14.643 10.151 1.00 0.00 O ATOM 0 H ASP A 26 5.420 14.413 6.937 1.00 0.00 H new ATOM 0 HA ASP A 26 8.120 13.859 7.760 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.546 13.057 10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.280 14.783 9.875 1.00 0.00 H new ATOM 438 N THR A 27 6.536 12.171 6.228 1.00 0.00 N ATOM 439 CA THR A 27 6.137 10.898 5.637 1.00 0.00 C ATOM 440 C THR A 27 7.271 9.876 5.695 1.00 0.00 C ATOM 441 O THR A 27 7.079 8.706 5.362 1.00 0.00 O ATOM 442 CB THR A 27 5.696 11.104 4.187 1.00 0.00 C ATOM 443 OG1 THR A 27 6.813 11.360 3.355 1.00 0.00 O ATOM 444 CG2 THR A 27 4.724 12.251 4.016 1.00 0.00 C ATOM 0 H THR A 27 6.716 12.912 5.550 1.00 0.00 H new ATOM 0 HA THR A 27 5.301 10.509 6.218 1.00 0.00 H new ATOM 0 HB THR A 27 5.196 10.178 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.503 11.644 2.470 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.451 12.343 2.965 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.829 12.061 4.608 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.191 13.177 4.352 1.00 0.00 H new ATOM 452 N SER A 28 8.456 10.317 6.117 1.00 0.00 N ATOM 453 CA SER A 28 9.614 9.432 6.215 1.00 0.00 C ATOM 454 C SER A 28 9.261 8.145 6.956 1.00 0.00 C ATOM 455 O SER A 28 9.847 7.091 6.705 1.00 0.00 O ATOM 456 CB SER A 28 10.767 10.143 6.926 1.00 0.00 C ATOM 457 OG SER A 28 10.451 10.393 8.285 1.00 0.00 O ATOM 0 H SER A 28 8.638 11.281 6.396 1.00 0.00 H new ATOM 0 HA SER A 28 9.924 9.171 5.203 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.668 9.532 6.865 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.985 11.084 6.421 1.00 0.00 H new ATOM 0 HG SER A 28 11.204 10.846 8.718 1.00 0.00 H new ATOM 463 N THR A 29 8.299 8.238 7.869 1.00 0.00 N ATOM 464 CA THR A 29 7.867 7.081 8.644 1.00 0.00 C ATOM 465 C THR A 29 6.974 6.171 7.807 1.00 0.00 C ATOM 466 O THR A 29 7.089 4.947 7.866 1.00 0.00 O ATOM 467 CB THR A 29 7.120 7.532 9.901 1.00 0.00 C ATOM 468 OG1 THR A 29 6.756 6.416 10.694 1.00 0.00 O ATOM 469 CG2 THR A 29 5.859 8.313 9.598 1.00 0.00 C ATOM 0 H THR A 29 7.804 9.102 8.090 1.00 0.00 H new ATOM 0 HA THR A 29 8.754 6.520 8.939 1.00 0.00 H new ATOM 0 HB THR A 29 7.813 8.184 10.433 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.281 6.724 11.494 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.377 8.603 10.532 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.113 9.207 9.028 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.178 7.693 9.016 1.00 0.00 H new ATOM 477 N LEU A 30 6.087 6.779 7.026 1.00 0.00 N ATOM 478 CA LEU A 30 5.175 6.024 6.175 1.00 0.00 C ATOM 479 C LEU A 30 5.905 5.469 4.957 1.00 0.00 C ATOM 480 O LEU A 30 5.563 4.402 4.448 1.00 0.00 O ATOM 481 CB LEU A 30 4.011 6.910 5.728 1.00 0.00 C ATOM 482 CG LEU A 30 2.990 6.224 4.818 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.199 5.182 5.593 1.00 0.00 C ATOM 484 CD2 LEU A 30 2.053 7.253 4.199 1.00 0.00 C ATOM 0 H LEU A 30 5.981 7.792 6.965 1.00 0.00 H new ATOM 0 HA LEU A 30 4.783 5.188 6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.495 7.281 6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.414 7.779 5.207 1.00 0.00 H new ATOM 0 HG LEU A 30 3.528 5.720 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.478 4.705 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.880 4.429 5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.671 5.664 6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.333 6.748 3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.523 7.784 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.632 7.964 3.609 1.00 0.00 H new ATOM 496 N LYS A 31 6.915 6.200 4.497 1.00 0.00 N ATOM 497 CA LYS A 31 7.696 5.779 3.339 1.00 0.00 C ATOM 498 C LYS A 31 8.401 4.456 3.611 1.00 0.00 C ATOM 499 O LYS A 31 8.490 3.596 2.735 1.00 0.00 O ATOM 500 CB LYS A 31 8.724 6.853 2.974 1.00 0.00 C ATOM 501 CG LYS A 31 8.109 8.104 2.368 1.00 0.00 C ATOM 502 CD LYS A 31 9.177 9.059 1.860 1.00 0.00 C ATOM 503 CE LYS A 31 8.565 10.330 1.294 1.00 0.00 C ATOM 504 NZ LYS A 31 9.279 10.793 0.072 1.00 0.00 N ATOM 0 H LYS A 31 7.212 7.085 4.907 1.00 0.00 H new ATOM 0 HA LYS A 31 7.012 5.640 2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.281 7.129 3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.441 6.433 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.448 7.825 1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.495 8.607 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.857 9.312 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.771 8.566 1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.516 10.153 1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.593 11.115 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.831 11.662 -0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.274 10.986 0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.231 10.055 -0.659 1.00 0.00 H new ATOM 518 N GLU A 32 8.902 4.298 4.833 1.00 0.00 N ATOM 519 CA GLU A 32 9.597 3.078 5.223 1.00 0.00 C ATOM 520 C GLU A 32 8.612 1.943 5.474 1.00 0.00 C ATOM 521 O GLU A 32 8.939 0.771 5.288 1.00 0.00 O ATOM 522 CB GLU A 32 10.440 3.325 6.477 1.00 0.00 C ATOM 523 CG GLU A 32 9.629 3.794 7.672 1.00 0.00 C ATOM 524 CD GLU A 32 10.261 3.405 8.993 1.00 0.00 C ATOM 525 OE1 GLU A 32 10.039 2.262 9.444 1.00 0.00 O ATOM 526 OE2 GLU A 32 10.979 4.244 9.578 1.00 0.00 O ATOM 0 H GLU A 32 8.839 5.001 5.570 1.00 0.00 H new ATOM 0 HA GLU A 32 10.253 2.787 4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.962 2.405 6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.203 4.070 6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.521 4.878 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.626 3.371 7.615 1.00 0.00 H new ATOM 533 N LEU A 33 7.405 2.299 5.899 1.00 0.00 N ATOM 534 CA LEU A 33 6.370 1.309 6.174 1.00 0.00 C ATOM 535 C LEU A 33 5.850 0.689 4.881 1.00 0.00 C ATOM 536 O LEU A 33 5.413 -0.463 4.864 1.00 0.00 O ATOM 537 CB LEU A 33 5.217 1.947 6.953 1.00 0.00 C ATOM 538 CG LEU A 33 5.181 1.613 8.445 1.00 0.00 C ATOM 539 CD1 LEU A 33 4.924 0.129 8.653 1.00 0.00 C ATOM 540 CD2 LEU A 33 6.482 2.029 9.114 1.00 0.00 C ATOM 0 H LEU A 33 7.119 3.265 6.061 1.00 0.00 H new ATOM 0 HA LEU A 33 6.812 0.518 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.277 3.029 6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.276 1.631 6.503 1.00 0.00 H new ATOM 0 HG LEU A 33 4.364 2.170 8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.902 -0.090 9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.967 -0.140 8.207 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.719 -0.448 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.440 1.784 10.175 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.315 1.498 8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.625 3.103 8.995 1.00 0.00 H new ATOM 552 N LEU A 34 5.898 1.460 3.799 1.00 0.00 N ATOM 553 CA LEU A 34 5.431 0.985 2.502 1.00 0.00 C ATOM 554 C LEU A 34 6.563 0.318 1.727 1.00 0.00 C ATOM 555 O LEU A 34 6.336 -0.616 0.958 1.00 0.00 O ATOM 556 CB LEU A 34 4.854 2.144 1.689 1.00 0.00 C ATOM 557 CG LEU A 34 3.802 2.985 2.414 1.00 0.00 C ATOM 558 CD1 LEU A 34 3.763 4.396 1.849 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.433 2.327 2.312 1.00 0.00 C ATOM 0 H LEU A 34 6.255 2.415 3.795 1.00 0.00 H new ATOM 0 HA LEU A 34 4.648 0.246 2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.672 2.797 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.411 1.743 0.778 1.00 0.00 H new ATOM 0 HG LEU A 34 4.076 3.047 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.009 4.979 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.739 4.866 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.514 4.357 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.696 2.938 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.151 2.234 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.470 1.337 2.767 1.00 0.00 H new ATOM 571 N GLU A 35 7.782 0.804 1.936 1.00 0.00 N ATOM 572 CA GLU A 35 8.952 0.256 1.257 1.00 0.00 C ATOM 573 C GLU A 35 9.438 -1.029 1.927 1.00 0.00 C ATOM 574 O GLU A 35 10.358 -1.682 1.435 1.00 0.00 O ATOM 575 CB GLU A 35 10.080 1.289 1.232 1.00 0.00 C ATOM 576 CG GLU A 35 9.851 2.418 0.241 1.00 0.00 C ATOM 577 CD GLU A 35 10.961 2.531 -0.785 1.00 0.00 C ATOM 578 OE1 GLU A 35 11.012 1.684 -1.700 1.00 0.00 O ATOM 579 OE2 GLU A 35 11.780 3.467 -0.673 1.00 0.00 O ATOM 0 H GLU A 35 7.986 1.576 2.570 1.00 0.00 H new ATOM 0 HA GLU A 35 8.660 0.014 0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.196 1.711 2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.016 0.787 0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.903 2.259 -0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.766 3.360 0.783 1.00 0.00 H new ATOM 586 N THR A 36 8.820 -1.388 3.051 1.00 0.00 N ATOM 587 CA THR A 36 9.203 -2.595 3.776 1.00 0.00 C ATOM 588 C THR A 36 8.722 -3.846 3.048 1.00 0.00 C ATOM 589 O THR A 36 9.372 -4.890 3.094 1.00 0.00 O ATOM 590 CB THR A 36 8.630 -2.566 5.194 1.00 0.00 C ATOM 591 OG1 THR A 36 9.083 -3.680 5.941 1.00 0.00 O ATOM 592 CG2 THR A 36 7.118 -2.574 5.230 1.00 0.00 C ATOM 0 H THR A 36 8.056 -0.863 3.476 1.00 0.00 H new ATOM 0 HA THR A 36 10.291 -2.625 3.830 1.00 0.00 H new ATOM 0 HB THR A 36 8.982 -1.630 5.627 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.707 -3.642 6.845 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.779 -2.552 6.266 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.737 -1.698 4.705 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.747 -3.477 4.745 1.00 0.00 H new ATOM 600 N TYR A 37 7.581 -3.734 2.375 1.00 0.00 N ATOM 601 CA TYR A 37 7.015 -4.857 1.637 1.00 0.00 C ATOM 602 C TYR A 37 6.708 -6.023 2.572 1.00 0.00 C ATOM 603 O TYR A 37 7.045 -7.171 2.282 1.00 0.00 O ATOM 604 CB TYR A 37 7.977 -5.308 0.535 1.00 0.00 C ATOM 605 CG TYR A 37 7.951 -4.426 -0.692 1.00 0.00 C ATOM 606 CD1 TYR A 37 8.126 -3.052 -0.588 1.00 0.00 C ATOM 607 CD2 TYR A 37 7.752 -4.967 -1.956 1.00 0.00 C ATOM 608 CE1 TYR A 37 8.102 -2.243 -1.707 1.00 0.00 C ATOM 609 CE2 TYR A 37 7.729 -4.166 -3.081 1.00 0.00 C ATOM 610 CZ TYR A 37 7.905 -2.803 -2.951 1.00 0.00 C ATOM 611 OH TYR A 37 7.882 -2.001 -4.069 1.00 0.00 O ATOM 0 H TYR A 37 7.030 -2.877 2.326 1.00 0.00 H new ATOM 0 HA TYR A 37 6.082 -4.527 1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.991 -5.328 0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.729 -6.329 0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.283 -2.609 0.384 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.613 -6.033 -2.061 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.237 -1.176 -1.608 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.574 -4.603 -4.056 1.00 0.00 H new ATOM 0 HH TYR A 37 7.974 -2.556 -4.872 1.00 0.00 H new ATOM 621 N GLN A 38 6.068 -5.721 3.697 1.00 0.00 N ATOM 622 CA GLN A 38 5.715 -6.742 4.676 1.00 0.00 C ATOM 623 C GLN A 38 4.828 -7.817 4.051 1.00 0.00 C ATOM 624 O GLN A 38 4.859 -8.976 4.463 1.00 0.00 O ATOM 625 CB GLN A 38 5.003 -6.108 5.872 1.00 0.00 C ATOM 626 CG GLN A 38 3.708 -5.401 5.505 1.00 0.00 C ATOM 627 CD GLN A 38 3.822 -3.892 5.589 1.00 0.00 C ATOM 628 OE1 GLN A 38 4.499 -3.261 4.777 1.00 0.00 O ATOM 629 NE2 GLN A 38 3.157 -3.302 6.577 1.00 0.00 N ATOM 0 H GLN A 38 5.783 -4.776 3.953 1.00 0.00 H new ATOM 0 HA GLN A 38 6.636 -7.213 5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.788 -6.882 6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.675 -5.394 6.347 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.419 -5.684 4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.913 -5.739 6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.608 -3.863 7.228 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.196 -2.288 6.684 1.00 0.00 H new ATOM 638 N ARG A 39 4.039 -7.421 3.058 1.00 0.00 N ATOM 639 CA ARG A 39 3.143 -8.349 2.378 1.00 0.00 C ATOM 640 C ARG A 39 3.287 -8.227 0.861 1.00 0.00 C ATOM 641 O ARG A 39 3.958 -7.321 0.365 1.00 0.00 O ATOM 642 CB ARG A 39 1.693 -8.084 2.799 1.00 0.00 C ATOM 643 CG ARG A 39 1.181 -6.711 2.397 1.00 0.00 C ATOM 644 CD ARG A 39 -0.166 -6.413 3.035 1.00 0.00 C ATOM 645 NE ARG A 39 -0.023 -5.743 4.325 1.00 0.00 N ATOM 646 CZ ARG A 39 0.274 -4.452 4.461 1.00 0.00 C ATOM 647 NH1 ARG A 39 0.462 -3.690 3.391 1.00 0.00 N ATOM 648 NH2 ARG A 39 0.385 -3.921 5.672 1.00 0.00 N ATOM 0 H ARG A 39 4.002 -6.464 2.706 1.00 0.00 H new ATOM 0 HA ARG A 39 3.414 -9.365 2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.051 -8.845 2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.613 -8.189 3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.903 -5.950 2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.091 -6.658 1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.754 -5.787 2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.718 -7.343 3.169 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.159 -6.296 5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.379 -4.092 2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.689 -2.702 3.502 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.243 -4.502 6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.613 -2.932 5.776 1.00 0.00 H new ATOM 662 N PRO A 40 2.672 -9.148 0.099 1.00 0.00 N ATOM 663 CA PRO A 40 2.747 -9.141 -1.367 1.00 0.00 C ATOM 664 C PRO A 40 2.010 -7.954 -1.988 1.00 0.00 C ATOM 665 O PRO A 40 1.053 -8.130 -2.742 1.00 0.00 O ATOM 666 CB PRO A 40 2.074 -10.463 -1.777 1.00 0.00 C ATOM 667 CG PRO A 40 1.976 -11.267 -0.524 1.00 0.00 C ATOM 668 CD PRO A 40 1.872 -10.274 0.594 1.00 0.00 C ATOM 0 HA PRO A 40 3.776 -9.048 -1.713 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.088 -10.285 -2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.662 -10.984 -2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.105 -11.922 -0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.851 -11.905 -0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.838 -9.984 0.784 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.268 -10.673 1.528 1.00 0.00 H new ATOM 676 N PHE A 41 2.466 -6.745 -1.675 1.00 0.00 N ATOM 677 CA PHE A 41 1.849 -5.536 -2.214 1.00 0.00 C ATOM 678 C PHE A 41 2.908 -4.581 -2.759 1.00 0.00 C ATOM 679 O PHE A 41 3.986 -4.436 -2.179 1.00 0.00 O ATOM 680 CB PHE A 41 0.998 -4.839 -1.144 1.00 0.00 C ATOM 681 CG PHE A 41 1.785 -3.996 -0.177 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.620 -4.586 0.758 1.00 0.00 C ATOM 683 CD2 PHE A 41 1.686 -2.613 -0.200 1.00 0.00 C ATOM 684 CE1 PHE A 41 3.341 -3.816 1.650 1.00 0.00 C ATOM 685 CE2 PHE A 41 2.405 -1.838 0.690 1.00 0.00 C ATOM 686 CZ PHE A 41 3.233 -2.439 1.617 1.00 0.00 C ATOM 0 H PHE A 41 3.257 -6.576 -1.054 1.00 0.00 H new ATOM 0 HA PHE A 41 1.197 -5.828 -3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.259 -4.209 -1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.449 -5.596 -0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.708 -5.662 0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.040 -2.136 -0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.989 -4.290 2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.319 -0.762 0.660 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.794 -1.835 2.314 1.00 0.00 H new ATOM 696 N LYS A 42 2.594 -3.932 -3.875 1.00 0.00 N ATOM 697 CA LYS A 42 3.517 -2.991 -4.498 1.00 0.00 C ATOM 698 C LYS A 42 2.955 -1.575 -4.461 1.00 0.00 C ATOM 699 O LYS A 42 1.789 -1.370 -4.125 1.00 0.00 O ATOM 700 CB LYS A 42 3.803 -3.402 -5.945 1.00 0.00 C ATOM 701 CG LYS A 42 4.033 -4.895 -6.121 1.00 0.00 C ATOM 702 CD LYS A 42 5.429 -5.298 -5.676 1.00 0.00 C ATOM 703 CE LYS A 42 6.379 -5.412 -6.857 1.00 0.00 C ATOM 704 NZ LYS A 42 7.128 -4.147 -7.095 1.00 0.00 N ATOM 0 H LYS A 42 1.707 -4.041 -4.367 1.00 0.00 H new ATOM 0 HA LYS A 42 4.449 -3.009 -3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.966 -3.096 -6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.682 -2.863 -6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.292 -5.449 -5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.891 -5.166 -7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.813 -4.563 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.383 -6.252 -5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.085 -6.223 -6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.815 -5.673 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.999 -3.848 -8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.769 -3.406 -6.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.140 -4.302 -6.910 1.00 0.00 H new ATOM 718 N LEU A 43 3.789 -0.602 -4.808 1.00 0.00 N ATOM 719 CA LEU A 43 3.371 0.794 -4.814 1.00 0.00 C ATOM 720 C LEU A 43 3.946 1.533 -6.017 1.00 0.00 C ATOM 721 O LEU A 43 5.150 1.483 -6.271 1.00 0.00 O ATOM 722 CB LEU A 43 3.809 1.485 -3.523 1.00 0.00 C ATOM 723 CG LEU A 43 2.810 1.388 -2.366 1.00 0.00 C ATOM 724 CD1 LEU A 43 3.120 0.183 -1.491 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.826 2.668 -1.542 1.00 0.00 C ATOM 0 H LEU A 43 4.758 -0.754 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 43 2.283 0.818 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.757 1.054 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.993 2.538 -3.737 1.00 0.00 H new ATOM 0 HG LEU A 43 1.811 1.259 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.400 0.131 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.057 -0.726 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.126 0.280 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.111 2.583 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.825 2.827 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.554 3.512 -2.176 1.00 0.00 H new ATOM 737 N GLU A 44 3.081 2.226 -6.749 1.00 0.00 N ATOM 738 CA GLU A 44 3.506 2.982 -7.920 1.00 0.00 C ATOM 739 C GLU A 44 3.704 4.451 -7.565 1.00 0.00 C ATOM 740 O GLU A 44 2.759 5.241 -7.593 1.00 0.00 O ATOM 741 CB GLU A 44 2.480 2.848 -9.046 1.00 0.00 C ATOM 742 CG GLU A 44 1.979 1.426 -9.248 1.00 0.00 C ATOM 743 CD GLU A 44 1.428 1.194 -10.641 1.00 0.00 C ATOM 744 OE1 GLU A 44 2.113 1.561 -11.619 1.00 0.00 O ATOM 745 OE2 GLU A 44 0.312 0.645 -10.755 1.00 0.00 O ATOM 0 H GLU A 44 2.082 2.280 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 44 4.457 2.574 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.631 3.496 -8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.925 3.203 -9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.795 0.728 -9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.203 1.211 -8.514 1.00 0.00 H new ATOM 752 N PHE A 45 4.937 4.811 -7.224 1.00 0.00 N ATOM 753 CA PHE A 45 5.260 6.183 -6.855 1.00 0.00 C ATOM 754 C PHE A 45 4.949 7.143 -7.999 1.00 0.00 C ATOM 755 O PHE A 45 5.450 6.982 -9.112 1.00 0.00 O ATOM 756 CB PHE A 45 6.737 6.301 -6.465 1.00 0.00 C ATOM 757 CG PHE A 45 7.243 5.182 -5.592 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.367 4.393 -4.857 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.602 4.922 -5.505 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.838 3.371 -4.056 1.00 0.00 C ATOM 761 CE2 PHE A 45 9.078 3.900 -4.705 1.00 0.00 C ATOM 762 CZ PHE A 45 8.196 3.124 -3.980 1.00 0.00 C ATOM 0 H PHE A 45 5.730 4.170 -7.196 1.00 0.00 H new ATOM 0 HA PHE A 45 4.643 6.453 -5.998 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.338 6.336 -7.374 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.888 7.247 -5.946 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.305 4.581 -4.913 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.298 5.525 -6.069 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.146 2.765 -3.490 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.139 3.709 -4.647 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.566 2.325 -3.354 1.00 0.00 H new ATOM 772 N LYS A 46 4.118 8.142 -7.716 1.00 0.00 N ATOM 773 CA LYS A 46 3.739 9.130 -8.720 1.00 0.00 C ATOM 774 C LYS A 46 4.739 10.282 -8.752 1.00 0.00 C ATOM 775 O LYS A 46 5.034 10.831 -9.814 1.00 0.00 O ATOM 776 CB LYS A 46 2.335 9.666 -8.433 1.00 0.00 C ATOM 777 CG LYS A 46 1.227 8.680 -8.768 1.00 0.00 C ATOM 778 CD LYS A 46 1.065 8.512 -10.270 1.00 0.00 C ATOM 779 CE LYS A 46 0.278 9.663 -10.877 1.00 0.00 C ATOM 780 NZ LYS A 46 0.080 9.487 -12.343 1.00 0.00 N ATOM 0 H LYS A 46 3.694 8.288 -6.800 1.00 0.00 H new ATOM 0 HA LYS A 46 3.742 8.642 -9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.266 9.933 -7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.181 10.581 -9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.449 7.714 -8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.288 9.026 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.047 8.454 -10.739 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.556 7.571 -10.479 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.692 9.739 -10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.803 10.600 -10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.461 10.292 -12.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.005 9.440 -12.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.443 8.606 -12.519 1.00 0.00 H new ATOM 901 N PHE A 54 2.161 17.749 -1.382 1.00 0.00 N ATOM 902 CA PHE A 54 1.249 16.637 -1.629 1.00 0.00 C ATOM 903 C PHE A 54 2.000 15.432 -2.177 1.00 0.00 C ATOM 904 O PHE A 54 2.531 15.469 -3.288 1.00 0.00 O ATOM 905 CB PHE A 54 0.149 17.052 -2.607 1.00 0.00 C ATOM 906 CG PHE A 54 -0.342 18.459 -2.405 1.00 0.00 C ATOM 907 CD1 PHE A 54 0.289 19.523 -3.030 1.00 0.00 C ATOM 908 CD2 PHE A 54 -1.432 18.718 -1.589 1.00 0.00 C ATOM 909 CE1 PHE A 54 -0.157 20.817 -2.846 1.00 0.00 C ATOM 910 CE2 PHE A 54 -1.883 20.010 -1.402 1.00 0.00 C ATOM 911 CZ PHE A 54 -1.247 21.062 -2.030 1.00 0.00 C ATOM 0 HA PHE A 54 0.792 16.360 -0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.524 16.950 -3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.692 16.366 -2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.140 19.338 -3.669 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.934 17.900 -1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.345 21.637 -3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.734 20.197 -0.764 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.599 22.073 -1.885 1.00 0.00 H new ATOM 921 N TYR A 55 2.042 14.364 -1.391 1.00 0.00 N ATOM 922 CA TYR A 55 2.729 13.148 -1.797 1.00 0.00 C ATOM 923 C TYR A 55 1.748 12.141 -2.382 1.00 0.00 C ATOM 924 O TYR A 55 0.934 11.562 -1.664 1.00 0.00 O ATOM 925 CB TYR A 55 3.460 12.527 -0.607 1.00 0.00 C ATOM 926 CG TYR A 55 4.641 13.341 -0.132 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.486 14.324 0.835 1.00 0.00 C ATOM 928 CD2 TYR A 55 5.910 13.128 -0.654 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.561 15.072 1.272 1.00 0.00 C ATOM 930 CE2 TYR A 55 6.993 13.872 -0.223 1.00 0.00 C ATOM 931 CZ TYR A 55 6.812 14.843 0.740 1.00 0.00 C ATOM 932 OH TYR A 55 7.887 15.587 1.171 1.00 0.00 O ATOM 0 H TYR A 55 1.608 14.317 -0.469 1.00 0.00 H new ATOM 0 HA TYR A 55 3.456 13.412 -2.565 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.757 12.406 0.218 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.804 11.530 -0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.507 14.507 1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.053 12.369 -1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.423 15.832 2.026 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.974 13.694 -0.638 1.00 0.00 H new ATOM 0 HH TYR A 55 8.695 15.299 0.697 1.00 0.00 H new ATOM 942 N SER A 56 1.835 11.937 -3.690 1.00 0.00 N ATOM 943 CA SER A 56 0.959 10.998 -4.376 1.00 0.00 C ATOM 944 C SER A 56 1.640 9.646 -4.552 1.00 0.00 C ATOM 945 O SER A 56 2.692 9.547 -5.184 1.00 0.00 O ATOM 946 CB SER A 56 0.543 11.556 -5.738 1.00 0.00 C ATOM 947 OG SER A 56 -0.101 12.812 -5.601 1.00 0.00 O ATOM 0 H SER A 56 2.504 12.410 -4.297 1.00 0.00 H new ATOM 0 HA SER A 56 0.069 10.857 -3.763 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.421 11.662 -6.375 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.127 10.853 -6.233 1.00 0.00 H new ATOM 0 HG SER A 56 -0.355 13.148 -6.486 1.00 0.00 H new ATOM 953 N PHE A 57 1.035 8.603 -3.989 1.00 0.00 N ATOM 954 CA PHE A 57 1.585 7.256 -4.086 1.00 0.00 C ATOM 955 C PHE A 57 0.486 6.239 -4.371 1.00 0.00 C ATOM 956 O PHE A 57 -0.612 6.325 -3.820 1.00 0.00 O ATOM 957 CB PHE A 57 2.315 6.889 -2.794 1.00 0.00 C ATOM 958 CG PHE A 57 3.667 7.530 -2.666 1.00 0.00 C ATOM 959 CD1 PHE A 57 4.763 6.998 -3.326 1.00 0.00 C ATOM 960 CD2 PHE A 57 3.844 8.663 -1.888 1.00 0.00 C ATOM 961 CE1 PHE A 57 6.010 7.583 -3.213 1.00 0.00 C ATOM 962 CE2 PHE A 57 5.087 9.253 -1.772 1.00 0.00 C ATOM 963 CZ PHE A 57 6.173 8.713 -2.436 1.00 0.00 C ATOM 0 H PHE A 57 0.164 8.666 -3.461 1.00 0.00 H new ATOM 0 HA PHE A 57 2.294 7.237 -4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.701 7.183 -1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.429 5.806 -2.746 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.641 6.115 -3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.000 9.089 -1.366 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.856 7.157 -3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.211 10.136 -1.163 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.146 9.174 -2.347 1.00 0.00 H new ATOM 973 N ASN A 58 0.788 5.273 -5.233 1.00 0.00 N ATOM 974 CA ASN A 58 -0.177 4.238 -5.590 1.00 0.00 C ATOM 975 C ASN A 58 0.094 2.957 -4.809 1.00 0.00 C ATOM 976 O ASN A 58 1.178 2.777 -4.253 1.00 0.00 O ATOM 977 CB ASN A 58 -0.126 3.962 -7.095 1.00 0.00 C ATOM 978 CG ASN A 58 -1.447 4.251 -7.782 1.00 0.00 C ATOM 979 OD1 ASN A 58 -2.023 3.382 -8.436 1.00 0.00 O ATOM 980 ND2 ASN A 58 -1.934 5.478 -7.636 1.00 0.00 N ATOM 0 H ASN A 58 1.692 5.185 -5.697 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.174 4.594 -5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.656 4.572 -7.547 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.146 2.920 -7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.819 5.731 -8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.423 6.167 -7.085 1.00 0.00 H new ATOM 987 N VAL A 59 -0.896 2.071 -4.766 1.00 0.00 N ATOM 988 CA VAL A 59 -0.758 0.809 -4.045 1.00 0.00 C ATOM 989 C VAL A 59 -1.377 -0.347 -4.823 1.00 0.00 C ATOM 990 O VAL A 59 -2.592 -0.406 -5.004 1.00 0.00 O ATOM 991 CB VAL A 59 -1.416 0.879 -2.654 1.00 0.00 C ATOM 992 CG1 VAL A 59 -0.942 -0.271 -1.780 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.126 2.218 -1.989 1.00 0.00 C ATOM 0 H VAL A 59 -1.800 2.202 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 59 0.312 0.634 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.495 0.789 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.418 -0.204 -0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.208 -1.218 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.140 -0.216 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.600 2.247 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.049 2.342 -1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.521 3.024 -2.607 1.00 0.00 H new ATOM 1003 N SER A 60 -0.532 -1.268 -5.273 1.00 0.00 N ATOM 1004 CA SER A 60 -0.994 -2.430 -6.025 1.00 0.00 C ATOM 1005 C SER A 60 -0.985 -3.679 -5.148 1.00 0.00 C ATOM 1006 O SER A 60 0.073 -4.144 -4.725 1.00 0.00 O ATOM 1007 CB SER A 60 -0.114 -2.650 -7.257 1.00 0.00 C ATOM 1008 OG SER A 60 -0.677 -2.031 -8.403 1.00 0.00 O ATOM 0 H SER A 60 0.477 -1.233 -5.130 1.00 0.00 H new ATOM 0 HA SER A 60 -2.017 -2.241 -6.350 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.882 -2.246 -7.074 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.004 -3.718 -7.438 1.00 0.00 H new ATOM 0 HG SER A 60 -0.095 -2.184 -9.177 1.00 0.00 H new ATOM 1014 N MET A 61 -2.171 -4.214 -4.877 1.00 0.00 N ATOM 1015 CA MET A 61 -2.301 -5.406 -4.047 1.00 0.00 C ATOM 1016 C MET A 61 -3.354 -6.352 -4.617 1.00 0.00 C ATOM 1017 O MET A 61 -4.277 -5.924 -5.311 1.00 0.00 O ATOM 1018 CB MET A 61 -2.669 -5.013 -2.614 1.00 0.00 C ATOM 1019 CG MET A 61 -2.896 -6.201 -1.692 1.00 0.00 C ATOM 1020 SD MET A 61 -2.566 -5.809 0.037 1.00 0.00 S ATOM 1021 CE MET A 61 -2.599 -7.444 0.767 1.00 0.00 C ATOM 0 H MET A 61 -3.056 -3.841 -5.220 1.00 0.00 H new ATOM 0 HA MET A 61 -1.342 -5.924 -4.040 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.874 -4.392 -2.202 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.572 -4.403 -2.635 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.926 -6.543 -1.793 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.254 -7.025 -2.003 1.00 0.00 H new ATOM 0 HE1 MET A 61 -2.660 -7.357 1.852 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.467 -7.990 0.397 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.690 -7.981 0.497 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.213 -7.640 -4.318 1.00 0.00 N ATOM 1032 CA GLU A 62 -4.155 -8.642 -4.797 1.00 0.00 C ATOM 1033 C GLU A 62 -5.506 -8.494 -4.106 1.00 0.00 C ATOM 1034 O GLU A 62 -5.591 -8.518 -2.877 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.601 -10.049 -4.563 1.00 0.00 C ATOM 1036 CG GLU A 62 -2.723 -10.554 -5.697 1.00 0.00 C ATOM 1037 CD GLU A 62 -1.254 -10.597 -5.324 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -0.690 -9.529 -5.011 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -0.670 -11.701 -5.346 1.00 0.00 O ATOM 0 H GLU A 62 -2.455 -8.013 -3.746 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.296 -8.488 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.024 -10.054 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.433 -10.739 -4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.050 -11.553 -5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.854 -9.911 -6.567 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.559 -8.335 -4.900 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.905 -8.178 -4.361 1.00 0.00 C ATOM 1048 C VAL A 63 -8.792 -9.360 -4.738 1.00 0.00 C ATOM 1049 O VAL A 63 -8.755 -9.844 -5.869 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.559 -6.874 -4.861 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.959 -6.716 -4.285 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.692 -5.676 -4.511 1.00 0.00 C ATOM 0 H VAL A 63 -6.507 -8.311 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.810 -8.135 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.646 -6.928 -5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.401 -5.789 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.577 -7.559 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.903 -6.686 -3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.169 -4.764 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.570 -5.619 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.715 -5.785 -4.981 1.00 0.00 H new ATOM 1062 N SER A 64 -9.594 -9.812 -3.779 1.00 0.00 N ATOM 1063 CA SER A 64 -10.501 -10.933 -3.997 1.00 0.00 C ATOM 1064 C SER A 64 -11.947 -10.446 -4.080 1.00 0.00 C ATOM 1065 O SER A 64 -12.774 -11.042 -4.767 1.00 0.00 O ATOM 1066 CB SER A 64 -10.361 -11.956 -2.869 1.00 0.00 C ATOM 1067 OG SER A 64 -10.486 -13.278 -3.362 1.00 0.00 O ATOM 0 H SER A 64 -9.634 -9.417 -2.839 1.00 0.00 H new ATOM 0 HA SER A 64 -10.237 -11.408 -4.942 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.393 -11.836 -2.383 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.123 -11.773 -2.111 1.00 0.00 H new ATOM 0 HG SER A 64 -10.391 -13.913 -2.622 1.00 0.00 H new ATOM 1073 N ASN A 65 -12.237 -9.357 -3.371 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.579 -8.783 -3.361 1.00 0.00 C ATOM 1075 C ASN A 65 -13.627 -7.533 -2.487 1.00 0.00 C ATOM 1076 O ASN A 65 -12.607 -7.102 -1.947 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.604 -9.810 -2.860 1.00 0.00 C ATOM 1078 CG ASN A 65 -14.021 -10.785 -1.854 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -14.175 -12.000 -1.988 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -13.345 -10.258 -0.838 1.00 0.00 N ATOM 0 H ASN A 65 -11.560 -8.855 -2.796 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.831 -8.504 -4.384 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.444 -9.285 -2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.999 -10.366 -3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.930 -10.866 -0.132 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.241 -9.246 -0.765 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.818 -6.955 -2.348 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.996 -5.753 -1.536 1.00 0.00 C ATOM 1089 C GLU A 66 -14.402 -5.936 -0.142 1.00 0.00 C ATOM 1090 O GLU A 66 -13.975 -4.971 0.493 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.482 -5.404 -1.422 1.00 0.00 C ATOM 1092 CG GLU A 66 -17.365 -6.597 -1.094 1.00 0.00 C ATOM 1093 CD GLU A 66 -18.589 -6.682 -1.984 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -19.387 -5.721 -1.987 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -18.748 -7.706 -2.680 1.00 0.00 O ATOM 0 H GLU A 66 -15.673 -7.298 -2.786 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.470 -4.936 -2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.610 -4.645 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.816 -4.963 -2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.783 -7.513 -1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.682 -6.534 -0.053 1.00 0.00 H new ATOM 1102 N SER A 67 -14.379 -7.179 0.329 1.00 0.00 N ATOM 1103 CA SER A 67 -13.838 -7.487 1.649 1.00 0.00 C ATOM 1104 C SER A 67 -12.403 -6.986 1.779 1.00 0.00 C ATOM 1105 O SER A 67 -12.087 -6.195 2.670 1.00 0.00 O ATOM 1106 CB SER A 67 -13.890 -8.994 1.907 1.00 0.00 C ATOM 1107 OG SER A 67 -14.216 -9.270 3.258 1.00 0.00 O ATOM 0 H SER A 67 -14.728 -7.989 -0.183 1.00 0.00 H new ATOM 0 HA SER A 67 -14.451 -6.978 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.629 -9.453 1.250 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.926 -9.441 1.664 1.00 0.00 H new ATOM 0 HG SER A 67 -14.244 -10.240 3.396 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.536 -7.446 0.882 1.00 0.00 N ATOM 1114 CA GLU A 68 -10.137 -7.037 0.902 1.00 0.00 C ATOM 1115 C GLU A 68 -10.014 -5.547 0.604 1.00 0.00 C ATOM 1116 O GLU A 68 -9.361 -4.812 1.341 1.00 0.00 O ATOM 1117 CB GLU A 68 -9.308 -7.837 -0.112 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.788 -9.266 -0.320 1.00 0.00 C ATOM 1119 CD GLU A 68 -10.028 -10.001 0.984 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -9.141 -9.957 1.863 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -11.103 -10.622 1.128 1.00 0.00 O ATOM 0 H GLU A 68 -11.776 -8.099 0.136 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.748 -7.238 1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.325 -7.317 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.270 -7.859 0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.711 -9.254 -0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.049 -9.811 -0.908 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.651 -5.110 -0.483 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.618 -3.705 -0.887 1.00 0.00 C ATOM 1130 C ARG A 69 -10.797 -2.774 0.311 1.00 0.00 C ATOM 1131 O ARG A 69 -10.126 -1.748 0.416 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.707 -3.430 -1.927 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.614 -2.046 -2.553 1.00 0.00 C ATOM 1134 CD ARG A 69 -12.773 -1.160 -2.124 1.00 0.00 C ATOM 1135 NE ARG A 69 -13.860 -1.169 -3.099 1.00 0.00 N ATOM 1136 CZ ARG A 69 -13.750 -0.692 -4.336 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -12.604 -0.170 -4.754 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -14.790 -0.740 -5.159 1.00 0.00 N ATOM 0 H ARG A 69 -11.197 -5.711 -1.100 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.640 -3.508 -1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.644 -4.181 -2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.684 -3.542 -1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.672 -1.579 -2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.607 -2.137 -3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.149 -1.498 -1.159 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -12.417 -0.139 -1.987 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.756 -1.564 -2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.801 -0.133 -4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.526 0.194 -5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.672 -1.142 -4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.707 -0.375 -6.108 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.701 -3.144 1.212 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.959 -2.342 2.403 1.00 0.00 C ATOM 1154 C ASN A 70 -10.795 -2.446 3.383 1.00 0.00 C ATOM 1155 O ASN A 70 -10.501 -1.503 4.117 1.00 0.00 O ATOM 1156 CB ASN A 70 -13.254 -2.796 3.079 1.00 0.00 C ATOM 1157 CG ASN A 70 -13.844 -1.724 3.974 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -13.727 -1.787 5.197 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -14.484 -0.731 3.366 1.00 0.00 N ATOM 0 H ASN A 70 -12.265 -3.991 1.141 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.065 -1.301 2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.982 -3.070 2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.058 -3.691 3.669 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.902 0.019 3.917 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.557 -0.719 2.349 1.00 0.00 H new ATOM 1166 N GLU A 71 -10.136 -3.600 3.387 1.00 0.00 N ATOM 1167 CA GLU A 71 -9.002 -3.830 4.273 1.00 0.00 C ATOM 1168 C GLU A 71 -7.730 -3.201 3.709 1.00 0.00 C ATOM 1169 O GLU A 71 -6.895 -2.697 4.459 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.795 -5.332 4.485 1.00 0.00 C ATOM 1171 CG GLU A 71 -8.581 -5.716 5.942 1.00 0.00 C ATOM 1172 CD GLU A 71 -8.625 -7.216 6.161 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -9.742 -7.776 6.209 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -7.545 -7.830 6.286 1.00 0.00 O ATOM 0 H GLU A 71 -10.368 -4.391 2.786 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.219 -3.360 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.662 -5.868 4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.934 -5.658 3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.618 -5.331 6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.346 -5.240 6.556 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.586 -3.232 2.387 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.412 -2.663 1.734 1.00 0.00 C ATOM 1183 C ILE A 72 -6.399 -1.141 1.855 1.00 0.00 C ATOM 1184 O ILE A 72 -5.337 -0.520 1.861 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.343 -3.040 0.239 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.654 -4.528 0.041 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -4.972 -2.695 -0.326 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.264 -5.060 -1.323 1.00 0.00 C ATOM 0 H ILE A 72 -8.266 -3.644 1.749 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.544 -3.082 2.244 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.095 -2.464 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.134 -5.103 0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.721 -4.689 0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.935 -2.965 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.793 -1.625 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.205 -3.247 0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.515 -6.119 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.804 -4.512 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.192 -4.932 -1.470 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.586 -0.548 1.944 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.708 0.901 2.057 1.00 0.00 C ATOM 1202 C PHE A 73 -7.477 1.367 3.492 1.00 0.00 C ATOM 1203 O PHE A 73 -6.713 2.301 3.737 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.088 1.354 1.576 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.041 2.523 0.633 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -8.158 2.534 -0.433 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -9.881 3.609 0.816 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -8.113 3.608 -1.302 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -9.841 4.686 -0.050 1.00 0.00 C ATOM 1210 CZ PHE A 73 -8.956 4.686 -1.110 1.00 0.00 C ATOM 0 H PHE A 73 -8.475 -1.048 1.940 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.941 1.352 1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.584 0.519 1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.696 1.619 2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.497 1.694 -0.587 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.575 3.615 1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.420 3.605 -2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.502 5.527 0.102 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.923 5.527 -1.787 1.00 0.00 H new ATOM 1220 N GLN A 74 -8.144 0.715 4.438 1.00 0.00 N ATOM 1221 CA GLN A 74 -8.011 1.068 5.848 1.00 0.00 C ATOM 1222 C GLN A 74 -6.581 0.851 6.337 1.00 0.00 C ATOM 1223 O GLN A 74 -6.079 1.611 7.164 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.985 0.248 6.697 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.863 -1.252 6.484 1.00 0.00 C ATOM 1226 CD GLN A 74 -8.069 -1.934 7.582 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -6.986 -1.480 7.953 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -8.604 -3.030 8.105 1.00 0.00 N ATOM 0 H GLN A 74 -8.782 -0.060 4.255 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.251 2.126 5.953 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.814 0.472 7.750 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -10.004 0.558 6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.860 -1.691 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.384 -1.441 5.523 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.504 -3.370 7.766 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.115 -3.533 8.846 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.932 -0.188 5.822 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.561 -0.498 6.211 1.00 0.00 C ATOM 1239 C LYS A 75 -3.596 0.578 5.719 1.00 0.00 C ATOM 1240 O LYS A 75 -2.768 1.077 6.480 1.00 0.00 O ATOM 1241 CB LYS A 75 -4.145 -1.864 5.660 1.00 0.00 C ATOM 1242 CG LYS A 75 -4.228 -2.983 6.686 1.00 0.00 C ATOM 1243 CD LYS A 75 -3.912 -4.332 6.065 1.00 0.00 C ATOM 1244 CE LYS A 75 -5.179 -5.084 5.689 1.00 0.00 C ATOM 1245 NZ LYS A 75 -5.044 -5.783 4.381 1.00 0.00 N ATOM 0 H LYS A 75 -6.332 -0.828 5.136 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.519 -0.526 7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.781 -2.113 4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.123 -1.800 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.531 -2.784 7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.227 -3.006 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.296 -4.189 5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.328 -4.929 6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.413 -5.811 6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.015 -4.386 5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.903 -6.338 4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.913 -5.082 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.221 -6.418 4.410 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.710 0.928 4.443 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.846 1.943 3.851 1.00 0.00 C ATOM 1261 C ILE A 76 -3.078 3.304 4.497 1.00 0.00 C ATOM 1262 O ILE A 76 -2.158 4.115 4.608 1.00 0.00 O ATOM 1263 CB ILE A 76 -3.068 2.053 2.328 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -2.063 3.025 1.708 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.493 2.493 2.027 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.703 2.408 1.460 1.00 0.00 C ATOM 0 H ILE A 76 -4.391 0.525 3.799 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.817 1.632 4.033 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.912 1.069 1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.463 3.396 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.948 3.886 2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.631 2.565 0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.193 1.763 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.677 3.466 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.040 3.153 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.283 2.062 2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.805 1.564 0.777 1.00 0.00 H new ATOM 1278 N SER A 77 -4.312 3.548 4.923 1.00 0.00 N ATOM 1279 CA SER A 77 -4.664 4.812 5.562 1.00 0.00 C ATOM 1280 C SER A 77 -4.684 4.670 7.080 1.00 0.00 C ATOM 1281 O SER A 77 -5.353 5.433 7.775 1.00 0.00 O ATOM 1282 CB SER A 77 -6.028 5.295 5.065 1.00 0.00 C ATOM 1283 OG SER A 77 -5.907 6.004 3.844 1.00 0.00 O ATOM 0 H SER A 77 -5.085 2.888 4.838 1.00 0.00 H new ATOM 0 HA SER A 77 -3.905 5.548 5.296 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.691 4.441 4.928 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.486 5.937 5.818 1.00 0.00 H new ATOM 0 HG SER A 77 -6.775 6.022 3.389 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.945 3.687 7.589 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.882 3.449 9.027 1.00 0.00 C ATOM 1291 C GLN A 78 -3.216 4.620 9.744 1.00 0.00 C ATOM 1292 O GLN A 78 -3.686 5.068 10.789 1.00 0.00 O ATOM 1293 CB GLN A 78 -3.115 2.156 9.318 1.00 0.00 C ATOM 1294 CG GLN A 78 -4.013 0.941 9.482 1.00 0.00 C ATOM 1295 CD GLN A 78 -4.184 0.536 10.933 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -4.106 1.369 11.835 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -4.422 -0.751 11.165 1.00 0.00 N ATOM 0 H GLN A 78 -3.384 3.045 7.029 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.902 3.351 9.399 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.411 1.970 8.507 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.527 2.288 10.226 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.991 1.155 9.050 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.594 0.105 8.922 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.479 -1.408 10.386 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.548 -1.082 12.122 1.00 0.00 H new ATOM 1306 N LEU A 79 -2.122 5.112 9.172 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.392 6.231 9.756 1.00 0.00 C ATOM 1308 C LEU A 79 -2.228 7.506 9.719 1.00 0.00 C ATOM 1309 O LEU A 79 -3.364 7.502 9.245 1.00 0.00 O ATOM 1310 CB LEU A 79 -0.073 6.450 9.011 1.00 0.00 C ATOM 1311 CG LEU A 79 1.106 5.623 9.525 1.00 0.00 C ATOM 1312 CD1 LEU A 79 1.034 4.200 8.991 1.00 0.00 C ATOM 1313 CD2 LEU A 79 2.424 6.275 9.136 1.00 0.00 C ATOM 0 H LEU A 79 -1.722 4.754 8.305 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.178 5.989 10.797 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.226 6.220 7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.190 7.506 9.072 1.00 0.00 H new ATOM 0 HG LEU A 79 1.050 5.583 10.613 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.881 3.627 9.368 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.105 3.734 9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.064 4.218 7.902 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.252 5.673 9.510 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.488 6.346 8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.477 7.274 9.569 1.00 0.00 H new ATOM 1325 N ASP A 80 -1.657 8.597 10.222 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.350 9.879 10.247 1.00 0.00 C ATOM 1327 C ASP A 80 -1.704 10.869 9.282 1.00 0.00 C ATOM 1328 O ASP A 80 -1.701 12.075 9.523 1.00 0.00 O ATOM 1329 CB ASP A 80 -2.345 10.457 11.664 1.00 0.00 C ATOM 1330 CG ASP A 80 -3.207 11.699 11.786 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -4.440 11.555 11.912 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -2.647 12.815 11.757 1.00 0.00 O ATOM 0 H ASP A 80 -0.717 8.618 10.617 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.380 9.711 9.931 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.702 9.701 12.363 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.322 10.699 11.951 1.00 0.00 H new ATOM 1337 N LYS A 81 -1.160 10.348 8.186 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.511 11.185 7.184 1.00 0.00 C ATOM 1339 C LYS A 81 -1.430 11.407 5.986 1.00 0.00 C ATOM 1340 O LYS A 81 -1.710 12.545 5.607 1.00 0.00 O ATOM 1341 CB LYS A 81 0.799 10.542 6.720 1.00 0.00 C ATOM 1342 CG LYS A 81 1.639 9.982 7.856 1.00 0.00 C ATOM 1343 CD LYS A 81 2.471 11.066 8.522 1.00 0.00 C ATOM 1344 CE LYS A 81 1.779 11.619 9.757 1.00 0.00 C ATOM 1345 NZ LYS A 81 1.662 10.598 10.834 1.00 0.00 N ATOM 0 H LYS A 81 -1.156 9.351 7.970 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.293 12.151 7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.571 9.740 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.385 11.283 6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.988 9.516 8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.296 9.201 7.473 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.444 10.660 8.800 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.653 11.874 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.336 12.478 10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.785 11.976 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.576 11.073 11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.819 10.012 10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.509 9.994 10.834 1.00 0.00 H new ATOM 1359 N VAL A 82 -1.898 10.311 5.398 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.786 10.375 4.242 1.00 0.00 C ATOM 1361 C VAL A 82 -3.953 11.326 4.488 1.00 0.00 C ATOM 1362 O VAL A 82 -4.677 11.197 5.475 1.00 0.00 O ATOM 1363 CB VAL A 82 -3.344 8.985 3.883 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -2.233 8.077 3.373 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -4.048 8.361 5.081 1.00 0.00 C ATOM 0 H VAL A 82 -1.676 9.364 5.704 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.187 10.748 3.411 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.077 9.106 3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.647 7.100 3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.783 8.517 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.473 7.963 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.435 7.380 4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.341 8.255 5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.873 9.002 5.392 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.126 12.283 3.583 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.201 13.258 3.699 1.00 0.00 C ATOM 1377 C VAL A 83 -6.132 13.200 2.490 1.00 0.00 C ATOM 1378 O VAL A 83 -7.342 13.379 2.619 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.640 14.685 3.844 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -5.764 15.703 3.959 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -3.712 14.768 5.048 1.00 0.00 C ATOM 0 H VAL A 83 -3.534 12.403 2.761 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.769 13.006 4.595 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.067 14.920 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.341 16.702 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.386 15.661 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.372 15.476 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.323 15.782 5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.264 14.509 5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.884 14.072 4.917 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.558 12.951 1.317 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.340 12.871 0.088 1.00 0.00 C ATOM 1393 C GLN A 84 -6.218 11.488 -0.544 1.00 0.00 C ATOM 1394 O GLN A 84 -5.186 11.146 -1.120 1.00 0.00 O ATOM 1395 CB GLN A 84 -5.881 13.941 -0.903 1.00 0.00 C ATOM 1396 CG GLN A 84 -6.795 14.084 -2.111 1.00 0.00 C ATOM 1397 CD GLN A 84 -7.044 15.532 -2.486 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -6.420 16.442 -1.942 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -7.962 15.752 -3.419 1.00 0.00 N ATOM 0 H GLN A 84 -4.557 12.801 1.192 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.386 13.045 0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.821 14.900 -0.388 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.875 13.699 -1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.352 13.564 -2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.748 13.598 -1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.456 14.967 -3.844 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.174 16.706 -3.711 1.00 0.00 H new ATOM 1408 N THR A 85 -7.280 10.697 -0.430 1.00 0.00 N ATOM 1409 CA THR A 85 -7.293 9.350 -0.989 1.00 0.00 C ATOM 1410 C THR A 85 -8.333 9.231 -2.099 1.00 0.00 C ATOM 1411 O THR A 85 -9.343 9.935 -2.094 1.00 0.00 O ATOM 1412 CB THR A 85 -7.584 8.324 0.107 1.00 0.00 C ATOM 1413 OG1 THR A 85 -8.928 8.420 0.539 1.00 0.00 O ATOM 1414 CG2 THR A 85 -6.699 8.483 1.324 1.00 0.00 C ATOM 0 H THR A 85 -8.142 10.965 0.044 1.00 0.00 H new ATOM 0 HA THR A 85 -6.309 9.151 -1.414 1.00 0.00 H new ATOM 0 HB THR A 85 -7.383 7.353 -0.345 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.095 7.755 1.239 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.957 7.725 2.063 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.655 8.365 1.033 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.846 9.474 1.754 1.00 0.00 H new ATOM 1422 N LEU A 86 -8.077 8.339 -3.051 1.00 0.00 N ATOM 1423 CA LEU A 86 -8.990 8.129 -4.168 1.00 0.00 C ATOM 1424 C LEU A 86 -10.061 7.104 -3.808 1.00 0.00 C ATOM 1425 O LEU A 86 -9.797 5.894 -3.968 1.00 0.00 O ATOM 1426 CB LEU A 86 -8.218 7.667 -5.405 1.00 0.00 C ATOM 1427 CG LEU A 86 -9.070 7.441 -6.654 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -9.210 8.734 -7.444 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -8.465 6.347 -7.521 1.00 0.00 C ATOM 1430 OXT LEU A 86 -11.154 7.520 -3.372 1.00 0.00 O ATOM 0 H LEU A 86 -7.244 7.750 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.480 9.077 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.453 8.409 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.699 6.739 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.064 7.120 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.819 8.555 -8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.688 9.491 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.223 9.084 -7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.085 6.199 -8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.460 6.639 -7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.416 5.418 -6.953 1.00 0.00 H new