USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 GLN : amide:sc= -0.0506 K(o=-0.051,f=-1.6!) USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -0.0129 (180deg=-0.144) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.0129 USER MOD Single : A 27 GLN : amide:sc= -1.97! X(o=-2!,f=-2.1) USER MOD Single : A 34 ASN : amide:sc= -0.0126 K(o=-0.013,f=-0.74) USER MOD Single : A 35 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.663) USER MOD Single : A 39 SER OG : rot 180:sc=-0.00361 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.579 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 167:sc= -1.78 USER MOD Single : A 47 ASN : amide:sc= -0.45 K(o=-0.45,f=-1.4) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -5.84! C(o=-5.8!,f=-6.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.5!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.276) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 149:sc= -0.951 (180deg=-2.83!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.851 8.360 2.013 1.00 0.00 N ATOM 243 CA GLN A 21 6.983 7.212 2.246 1.00 0.00 C ATOM 244 C GLN A 21 6.668 6.493 0.938 1.00 0.00 C ATOM 245 O GLN A 21 6.980 5.314 0.777 1.00 0.00 O ATOM 246 CB GLN A 21 5.685 7.656 2.923 1.00 0.00 C ATOM 247 CG GLN A 21 5.895 8.263 4.301 1.00 0.00 C ATOM 248 CD GLN A 21 4.679 9.021 4.796 1.00 0.00 C ATOM 249 OE1 GLN A 21 3.842 9.459 4.006 1.00 0.00 O ATOM 250 NE2 GLN A 21 4.574 9.179 6.110 1.00 0.00 N ATOM 0 HA GLN A 21 7.508 6.519 2.903 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.184 8.385 2.286 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.019 6.798 3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.138 7.471 5.009 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.751 8.937 4.270 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.291 8.799 6.728 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.776 9.680 6.501 1.00 0.00 H new ATOM 259 N GLU A 22 6.048 7.212 0.008 1.00 0.00 N ATOM 260 CA GLU A 22 5.690 6.641 -1.285 1.00 0.00 C ATOM 261 C GLU A 22 6.911 6.030 -1.967 1.00 0.00 C ATOM 262 O GLU A 22 6.785 5.254 -2.914 1.00 0.00 O ATOM 263 CB GLU A 22 5.073 7.712 -2.187 1.00 0.00 C ATOM 264 CG GLU A 22 4.080 7.159 -3.196 1.00 0.00 C ATOM 265 CD GLU A 22 2.668 7.089 -2.648 1.00 0.00 C ATOM 266 OE1 GLU A 22 2.355 7.861 -1.719 1.00 0.00 O ATOM 267 OE2 GLU A 22 1.878 6.262 -3.148 1.00 0.00 O ATOM 0 H GLU A 22 5.783 8.190 0.126 1.00 0.00 H new ATOM 0 HA GLU A 22 4.957 5.852 -1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.572 8.454 -1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.870 8.229 -2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.089 7.785 -4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.396 6.162 -3.502 1.00 0.00 H new ATOM 274 N LYS A 23 8.094 6.385 -1.477 1.00 0.00 N ATOM 275 CA LYS A 23 9.340 5.872 -2.036 1.00 0.00 C ATOM 276 C LYS A 23 9.782 4.606 -1.309 1.00 0.00 C ATOM 277 O LYS A 23 10.288 3.668 -1.926 1.00 0.00 O ATOM 278 CB LYS A 23 10.438 6.934 -1.948 1.00 0.00 C ATOM 279 CG LYS A 23 11.173 6.939 -0.619 1.00 0.00 C ATOM 280 CD LYS A 23 12.387 7.853 -0.657 1.00 0.00 C ATOM 281 CE LYS A 23 13.464 7.388 0.311 1.00 0.00 C ATOM 282 NZ LYS A 23 14.148 6.156 -0.169 1.00 0.00 N ATOM 0 H LYS A 23 8.216 7.026 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 23 9.165 5.626 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.157 6.769 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.996 7.917 -2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.496 7.264 0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.487 5.925 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.792 7.880 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.086 8.870 -0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.199 8.182 0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.017 7.198 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.043 6.033 0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.536 5.332 -0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.343 6.242 -1.187 1.00 0.00 H new ATOM 296 N LEU A 24 9.587 4.585 0.005 1.00 0.00 N ATOM 297 CA LEU A 24 9.964 3.433 0.816 1.00 0.00 C ATOM 298 C LEU A 24 9.112 2.218 0.467 1.00 0.00 C ATOM 299 O LEU A 24 9.588 1.083 0.494 1.00 0.00 O ATOM 300 CB LEU A 24 9.819 3.762 2.303 1.00 0.00 C ATOM 301 CG LEU A 24 10.119 2.621 3.275 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.560 2.158 3.128 1.00 0.00 C ATOM 303 CD2 LEU A 24 9.839 3.053 4.707 1.00 0.00 C ATOM 0 H LEU A 24 9.170 5.353 0.531 1.00 0.00 H new ATOM 0 HA LEU A 24 11.006 3.195 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.482 4.595 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.800 4.106 2.481 1.00 0.00 H new ATOM 0 HG LEU A 24 9.464 1.783 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.754 1.345 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.727 1.807 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.233 2.989 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.058 2.228 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.468 3.907 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.790 3.334 4.804 1.00 0.00 H new ATOM 315 N VAL A 25 7.848 2.464 0.136 1.00 0.00 N ATOM 316 CA VAL A 25 6.929 1.390 -0.222 1.00 0.00 C ATOM 317 C VAL A 25 7.274 0.804 -1.587 1.00 0.00 C ATOM 318 O VAL A 25 7.413 -0.410 -1.735 1.00 0.00 O ATOM 319 CB VAL A 25 5.470 1.884 -0.242 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.509 0.708 -0.341 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.174 2.722 0.993 1.00 0.00 C ATOM 0 H VAL A 25 7.437 3.397 0.108 1.00 0.00 H new ATOM 0 HA VAL A 25 7.033 0.617 0.539 1.00 0.00 H new ATOM 0 HB VAL A 25 5.330 2.512 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.483 1.076 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.707 0.153 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.648 0.051 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.139 3.063 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.331 2.120 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.839 3.585 1.015 1.00 0.00 H new ATOM 331 N TYR A 26 7.411 1.675 -2.581 1.00 0.00 N ATOM 332 CA TYR A 26 7.739 1.243 -3.934 1.00 0.00 C ATOM 333 C TYR A 26 9.042 0.451 -3.953 1.00 0.00 C ATOM 334 O TYR A 26 9.162 -0.549 -4.661 1.00 0.00 O ATOM 335 CB TYR A 26 7.851 2.453 -4.864 1.00 0.00 C ATOM 336 CG TYR A 26 8.304 2.101 -6.263 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.478 1.388 -7.124 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.557 2.482 -6.725 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.888 1.064 -8.402 1.00 0.00 C ATOM 340 CE2 TYR A 26 9.975 2.163 -8.003 1.00 0.00 C ATOM 341 CZ TYR A 26 9.137 1.454 -8.837 1.00 0.00 C ATOM 342 OH TYR A 26 9.549 1.134 -10.111 1.00 0.00 O ATOM 0 H TYR A 26 7.300 2.683 -2.475 1.00 0.00 H new ATOM 0 HA TYR A 26 6.937 0.595 -4.286 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.882 2.949 -4.919 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.552 3.168 -4.433 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.498 1.082 -6.787 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.216 3.037 -6.074 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.234 0.508 -9.057 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.953 2.467 -8.346 1.00 0.00 H new ATOM 0 HH TYR A 26 10.452 1.483 -10.260 1.00 0.00 H new ATOM 352 N GLN A 27 10.015 0.905 -3.170 1.00 0.00 N ATOM 353 CA GLN A 27 11.310 0.239 -3.096 1.00 0.00 C ATOM 354 C GLN A 27 11.154 -1.203 -2.623 1.00 0.00 C ATOM 355 O GLN A 27 11.961 -2.069 -2.964 1.00 0.00 O ATOM 356 CB GLN A 27 12.245 0.999 -2.155 1.00 0.00 C ATOM 357 CG GLN A 27 13.710 0.911 -2.551 1.00 0.00 C ATOM 358 CD GLN A 27 14.290 -0.474 -2.341 1.00 0.00 C ATOM 359 OE1 GLN A 27 14.762 -0.803 -1.252 1.00 0.00 O ATOM 360 NE2 GLN A 27 14.256 -1.294 -3.384 1.00 0.00 N ATOM 0 H GLN A 27 9.931 1.731 -2.578 1.00 0.00 H new ATOM 0 HA GLN A 27 11.743 0.229 -4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.947 2.047 -2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.126 0.608 -1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.816 1.190 -3.599 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.283 1.633 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.855 -0.979 -4.268 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.631 -2.239 -3.302 1.00 0.00 H new ATOM 369 N ILE A 28 10.114 -1.453 -1.835 1.00 0.00 N ATOM 370 CA ILE A 28 9.853 -2.789 -1.316 1.00 0.00 C ATOM 371 C ILE A 28 9.115 -3.643 -2.342 1.00 0.00 C ATOM 372 O ILE A 28 9.435 -4.817 -2.532 1.00 0.00 O ATOM 373 CB ILE A 28 9.026 -2.738 -0.018 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.809 -2.018 1.083 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.648 -4.143 0.426 1.00 0.00 C ATOM 376 CD1 ILE A 28 8.926 -1.337 2.105 1.00 0.00 C ATOM 0 H ILE A 28 9.438 -0.747 -1.542 1.00 0.00 H new ATOM 0 HA ILE A 28 10.823 -3.239 -1.102 1.00 0.00 H new ATOM 0 HB ILE A 28 8.109 -2.181 -0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.451 -2.738 1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.462 -1.275 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.064 -4.089 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.056 -4.624 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.553 -4.724 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.548 -0.848 2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.302 -0.593 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.291 -2.079 2.589 1.00 0.00 H new ATOM 388 N ILE A 29 8.128 -3.045 -3.001 1.00 0.00 N ATOM 389 CA ILE A 29 7.347 -3.750 -4.009 1.00 0.00 C ATOM 390 C ILE A 29 8.240 -4.278 -5.127 1.00 0.00 C ATOM 391 O ILE A 29 8.085 -5.414 -5.574 1.00 0.00 O ATOM 392 CB ILE A 29 6.264 -2.841 -4.620 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.312 -2.343 -3.530 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.496 -3.585 -5.702 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.511 -1.127 -3.938 1.00 0.00 C ATOM 0 H ILE A 29 7.851 -2.074 -2.855 1.00 0.00 H new ATOM 0 HA ILE A 29 6.865 -4.588 -3.505 1.00 0.00 H new ATOM 0 HB ILE A 29 6.749 -1.978 -5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.626 -3.147 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.889 -2.105 -2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.734 -2.929 -6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.184 -3.895 -6.489 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.019 -4.464 -5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.858 -0.829 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.189 -0.308 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.907 -1.366 -4.814 1.00 0.00 H new ATOM 407 N GLU A 30 9.177 -3.446 -5.572 1.00 0.00 N ATOM 408 CA GLU A 30 10.096 -3.831 -6.636 1.00 0.00 C ATOM 409 C GLU A 30 11.043 -4.931 -6.167 1.00 0.00 C ATOM 410 O GLU A 30 11.517 -5.739 -6.965 1.00 0.00 O ATOM 411 CB GLU A 30 10.900 -2.618 -7.109 1.00 0.00 C ATOM 412 CG GLU A 30 12.101 -2.305 -6.233 1.00 0.00 C ATOM 413 CD GLU A 30 13.344 -3.064 -6.654 1.00 0.00 C ATOM 414 OE1 GLU A 30 13.225 -3.979 -7.495 1.00 0.00 O ATOM 415 OE2 GLU A 30 14.437 -2.743 -6.142 1.00 0.00 O ATOM 0 H GLU A 30 9.319 -2.502 -5.212 1.00 0.00 H new ATOM 0 HA GLU A 30 9.506 -4.215 -7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.241 -2.794 -8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.245 -1.747 -7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.304 -1.235 -6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.864 -2.549 -5.197 1.00 0.00 H new ATOM 422 N ASP A 31 11.314 -4.954 -4.866 1.00 0.00 N ATOM 423 CA ASP A 31 12.204 -5.955 -4.289 1.00 0.00 C ATOM 424 C ASP A 31 11.577 -7.344 -4.357 1.00 0.00 C ATOM 425 O ASP A 31 12.266 -8.335 -4.595 1.00 0.00 O ATOM 426 CB ASP A 31 12.532 -5.600 -2.838 1.00 0.00 C ATOM 427 CG ASP A 31 13.766 -4.727 -2.719 1.00 0.00 C ATOM 428 OD1 ASP A 31 13.951 -3.843 -3.581 1.00 0.00 O ATOM 429 OD2 ASP A 31 14.547 -4.929 -1.766 1.00 0.00 O ATOM 0 H ASP A 31 10.930 -4.292 -4.192 1.00 0.00 H new ATOM 0 HA ASP A 31 13.126 -5.964 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.681 -5.084 -2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.683 -6.517 -2.268 1.00 0.00 H new ATOM 434 N ALA A 32 10.267 -7.407 -4.145 1.00 0.00 N ATOM 435 CA ALA A 32 9.547 -8.674 -4.183 1.00 0.00 C ATOM 436 C ALA A 32 9.775 -9.395 -5.507 1.00 0.00 C ATOM 437 O ALA A 32 9.903 -10.618 -5.545 1.00 0.00 O ATOM 438 CB ALA A 32 8.061 -8.443 -3.954 1.00 0.00 C ATOM 0 H ALA A 32 9.682 -6.595 -3.945 1.00 0.00 H new ATOM 0 HA ALA A 32 9.932 -9.307 -3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.535 -9.397 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.911 -7.978 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.670 -7.788 -4.733 1.00 0.00 H new ATOM 444 N GLY A 33 9.822 -8.628 -6.593 1.00 0.00 N ATOM 445 CA GLY A 33 10.033 -9.212 -7.905 1.00 0.00 C ATOM 446 C GLY A 33 8.735 -9.617 -8.575 1.00 0.00 C ATOM 447 O GLY A 33 7.652 -9.319 -8.075 1.00 0.00 O ATOM 0 H GLY A 33 9.718 -7.613 -6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.557 -8.496 -8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.678 -10.086 -7.811 1.00 0.00 H new ATOM 451 N ASN A 34 8.845 -10.298 -9.711 1.00 0.00 N ATOM 452 CA ASN A 34 7.670 -10.743 -10.452 1.00 0.00 C ATOM 453 C ASN A 34 6.650 -11.387 -9.519 1.00 0.00 C ATOM 454 O ASN A 34 5.446 -11.161 -9.644 1.00 0.00 O ATOM 455 CB ASN A 34 8.076 -11.733 -11.545 1.00 0.00 C ATOM 456 CG ASN A 34 8.789 -11.059 -12.701 1.00 0.00 C ATOM 457 OD1 ASN A 34 8.426 -9.955 -13.110 1.00 0.00 O ATOM 458 ND2 ASN A 34 9.808 -11.721 -13.235 1.00 0.00 N ATOM 0 H ASN A 34 9.735 -10.554 -10.138 1.00 0.00 H new ATOM 0 HA ASN A 34 7.211 -9.870 -10.915 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.726 -12.496 -11.117 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.188 -12.243 -11.918 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.325 -11.318 -14.016 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.074 -12.633 -12.864 1.00 0.00 H new ATOM 465 N LYS A 35 7.140 -12.192 -8.582 1.00 0.00 N ATOM 466 CA LYS A 35 6.273 -12.870 -7.625 1.00 0.00 C ATOM 467 C LYS A 35 5.309 -11.884 -6.971 1.00 0.00 C ATOM 468 O LYS A 35 4.161 -12.220 -6.685 1.00 0.00 O ATOM 469 CB LYS A 35 7.111 -13.568 -6.552 1.00 0.00 C ATOM 470 CG LYS A 35 7.855 -14.790 -7.061 1.00 0.00 C ATOM 471 CD LYS A 35 8.283 -15.698 -5.920 1.00 0.00 C ATOM 472 CE LYS A 35 9.571 -15.211 -5.274 1.00 0.00 C ATOM 473 NZ LYS A 35 9.312 -14.193 -4.218 1.00 0.00 N ATOM 0 H LYS A 35 8.134 -12.391 -8.465 1.00 0.00 H new ATOM 0 HA LYS A 35 5.691 -13.617 -8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.831 -12.858 -6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.459 -13.866 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.217 -15.345 -7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.733 -14.474 -7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.492 -15.740 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.423 -16.712 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.102 -16.058 -4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.222 -14.785 -6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.819 -13.315 -4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.291 -14.000 -4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.645 -14.552 -3.300 1.00 0.00 H new ATOM 487 N GLY A 36 5.785 -10.664 -6.738 1.00 0.00 N ATOM 488 CA GLY A 36 4.952 -9.649 -6.121 1.00 0.00 C ATOM 489 C GLY A 36 5.038 -9.670 -4.608 1.00 0.00 C ATOM 490 O GLY A 36 5.879 -10.364 -4.036 1.00 0.00 O ATOM 0 H GLY A 36 6.732 -10.361 -6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.252 -8.666 -6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.916 -9.799 -6.425 1.00 0.00 H new ATOM 494 N ILE A 37 4.166 -8.906 -3.957 1.00 0.00 N ATOM 495 CA ILE A 37 4.147 -8.840 -2.501 1.00 0.00 C ATOM 496 C ILE A 37 2.741 -8.564 -1.981 1.00 0.00 C ATOM 497 O ILE A 37 1.938 -7.912 -2.649 1.00 0.00 O ATOM 498 CB ILE A 37 5.100 -7.750 -1.975 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.203 -7.825 -0.450 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.623 -6.374 -2.412 1.00 0.00 C ATOM 501 CD1 ILE A 37 6.183 -6.835 0.139 1.00 0.00 C ATOM 0 H ILE A 37 3.464 -8.325 -4.415 1.00 0.00 H new ATOM 0 HA ILE A 37 4.482 -9.811 -2.137 1.00 0.00 H new ATOM 0 HB ILE A 37 6.091 -7.920 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.218 -7.649 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.501 -8.833 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.307 -5.614 -2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.596 -6.327 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.624 -6.193 -2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.204 -6.945 1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.178 -7.024 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.874 -5.821 -0.117 1.00 0.00 H new ATOM 513 N TRP A 38 2.449 -9.064 -0.786 1.00 0.00 N ATOM 514 CA TRP A 38 1.139 -8.870 -0.175 1.00 0.00 C ATOM 515 C TRP A 38 1.043 -7.497 0.482 1.00 0.00 C ATOM 516 O TRP A 38 1.905 -7.116 1.273 1.00 0.00 O ATOM 517 CB TRP A 38 0.868 -9.964 0.859 1.00 0.00 C ATOM 518 CG TRP A 38 -0.558 -10.009 1.316 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.662 -9.660 0.592 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.034 -10.425 2.601 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.796 -9.834 1.350 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.437 -10.304 2.586 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.411 -10.891 3.762 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.224 -10.630 3.687 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.194 -11.214 4.854 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.588 -11.083 4.810 1.00 0.00 C ATOM 0 H TRP A 38 3.102 -9.607 -0.221 1.00 0.00 H new ATOM 0 HA TRP A 38 0.387 -8.929 -0.961 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.136 -10.931 0.433 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.514 -9.806 1.723 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.647 -9.300 -0.426 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.750 -9.644 1.042 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.663 -10.997 3.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.299 -10.529 3.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.723 -11.574 5.757 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.172 -11.345 5.680 1.00 0.00 H new ATOM 537 N SER A 39 -0.011 -6.759 0.149 1.00 0.00 N ATOM 538 CA SER A 39 -0.218 -5.427 0.704 1.00 0.00 C ATOM 539 C SER A 39 0.191 -5.381 2.173 1.00 0.00 C ATOM 540 O SER A 39 0.796 -4.412 2.631 1.00 0.00 O ATOM 541 CB SER A 39 -1.683 -5.011 0.558 1.00 0.00 C ATOM 542 OG SER A 39 -2.016 -3.985 1.476 1.00 0.00 O ATOM 0 H SER A 39 -0.735 -7.061 -0.503 1.00 0.00 H new ATOM 0 HA SER A 39 0.407 -4.728 0.148 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.867 -4.666 -0.460 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.328 -5.874 0.723 1.00 0.00 H new ATOM 0 HG SER A 39 -2.957 -3.736 1.361 1.00 0.00 H new ATOM 548 N ARG A 40 -0.144 -6.438 2.907 1.00 0.00 N ATOM 549 CA ARG A 40 0.186 -6.519 4.325 1.00 0.00 C ATOM 550 C ARG A 40 1.694 -6.640 4.526 1.00 0.00 C ATOM 551 O ARG A 40 2.296 -5.863 5.267 1.00 0.00 O ATOM 552 CB ARG A 40 -0.523 -7.713 4.968 1.00 0.00 C ATOM 553 CG ARG A 40 -0.853 -7.506 6.437 1.00 0.00 C ATOM 554 CD ARG A 40 -1.669 -8.662 6.992 1.00 0.00 C ATOM 555 NE ARG A 40 -1.658 -8.689 8.452 1.00 0.00 N ATOM 556 CZ ARG A 40 -2.555 -9.341 9.183 1.00 0.00 C ATOM 557 NH1 ARG A 40 -3.530 -10.018 8.591 1.00 0.00 N ATOM 558 NH2 ARG A 40 -2.479 -9.318 10.507 1.00 0.00 N ATOM 0 H ARG A 40 -0.643 -7.249 2.543 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.155 -5.602 4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.445 -7.915 4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.107 -8.597 4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.070 -7.404 7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.408 -6.576 6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.697 -8.582 6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.272 -9.602 6.609 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.920 -8.179 8.938 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.592 -10.038 7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.218 -10.518 9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.731 -8.799 10.966 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.169 -9.819 11.066 1.00 0.00 H new ATOM 572 N ASP A 41 2.297 -7.620 3.861 1.00 0.00 N ATOM 573 CA ASP A 41 3.734 -7.843 3.966 1.00 0.00 C ATOM 574 C ASP A 41 4.497 -6.526 3.863 1.00 0.00 C ATOM 575 O ASP A 41 5.585 -6.381 4.422 1.00 0.00 O ATOM 576 CB ASP A 41 4.203 -8.806 2.874 1.00 0.00 C ATOM 577 CG ASP A 41 3.787 -10.238 3.147 1.00 0.00 C ATOM 578 OD1 ASP A 41 2.823 -10.439 3.916 1.00 0.00 O ATOM 579 OD2 ASP A 41 4.424 -11.157 2.592 1.00 0.00 O ATOM 0 H ASP A 41 1.813 -8.272 3.244 1.00 0.00 H new ATOM 0 HA ASP A 41 3.938 -8.285 4.941 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.795 -8.489 1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.289 -8.756 2.791 1.00 0.00 H new ATOM 584 N VAL A 42 3.921 -5.569 3.143 1.00 0.00 N ATOM 585 CA VAL A 42 4.547 -4.264 2.966 1.00 0.00 C ATOM 586 C VAL A 42 4.489 -3.448 4.253 1.00 0.00 C ATOM 587 O VAL A 42 5.505 -2.930 4.717 1.00 0.00 O ATOM 588 CB VAL A 42 3.871 -3.466 1.835 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.580 -2.138 1.621 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.847 -4.280 0.550 1.00 0.00 C ATOM 0 H VAL A 42 3.022 -5.673 2.673 1.00 0.00 H new ATOM 0 HA VAL A 42 5.588 -4.446 2.700 1.00 0.00 H new ATOM 0 HB VAL A 42 2.841 -3.258 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.088 -1.588 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.540 -1.552 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.620 -2.320 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.366 -3.701 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.868 -4.520 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.290 -5.203 0.714 1.00 0.00 H new ATOM 600 N ARG A 43 3.295 -3.338 4.825 1.00 0.00 N ATOM 601 CA ARG A 43 3.105 -2.584 6.058 1.00 0.00 C ATOM 602 C ARG A 43 4.311 -2.737 6.980 1.00 0.00 C ATOM 603 O ARG A 43 4.828 -1.754 7.511 1.00 0.00 O ATOM 604 CB ARG A 43 1.837 -3.052 6.776 1.00 0.00 C ATOM 605 CG ARG A 43 0.589 -2.287 6.368 1.00 0.00 C ATOM 606 CD ARG A 43 -0.548 -2.510 7.354 1.00 0.00 C ATOM 607 NE ARG A 43 -0.696 -3.919 7.709 1.00 0.00 N ATOM 608 CZ ARG A 43 -1.527 -4.357 8.648 1.00 0.00 C ATOM 609 NH1 ARG A 43 -2.282 -3.500 9.322 1.00 0.00 N ATOM 610 NH2 ARG A 43 -1.606 -5.655 8.913 1.00 0.00 N ATOM 0 H ARG A 43 2.444 -3.762 4.454 1.00 0.00 H new ATOM 0 HA ARG A 43 3.000 -1.531 5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.685 -4.112 6.574 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.980 -2.950 7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.817 -1.223 6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.276 -2.603 5.373 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.365 -1.926 8.256 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.480 -2.145 6.922 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.130 -4.604 7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.225 -2.502 9.120 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.919 -3.839 10.043 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.028 -6.317 8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.244 -5.990 9.634 1.00 0.00 H new ATOM 624 N TYR A 44 4.753 -3.976 7.166 1.00 0.00 N ATOM 625 CA TYR A 44 5.896 -4.258 8.026 1.00 0.00 C ATOM 626 C TYR A 44 7.187 -3.726 7.409 1.00 0.00 C ATOM 627 O TYR A 44 8.008 -3.113 8.090 1.00 0.00 O ATOM 628 CB TYR A 44 6.017 -5.763 8.271 1.00 0.00 C ATOM 629 CG TYR A 44 4.685 -6.462 8.413 1.00 0.00 C ATOM 630 CD1 TYR A 44 3.979 -6.890 7.295 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.131 -6.696 9.666 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.761 -7.529 7.420 1.00 0.00 C ATOM 633 CE2 TYR A 44 2.913 -7.335 9.801 1.00 0.00 C ATOM 634 CZ TYR A 44 2.232 -7.749 8.675 1.00 0.00 C ATOM 635 OH TYR A 44 1.020 -8.386 8.804 1.00 0.00 O ATOM 0 H TYR A 44 4.337 -4.801 6.733 1.00 0.00 H new ATOM 0 HA TYR A 44 5.735 -3.753 8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.568 -6.214 7.446 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.603 -5.930 9.175 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.390 -6.720 6.311 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.662 -6.373 10.549 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.226 -7.855 6.540 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.497 -7.509 10.782 1.00 0.00 H new ATOM 0 HH TYR A 44 0.790 -8.463 9.754 1.00 0.00 H new ATOM 645 N LYS A 45 7.358 -3.966 6.113 1.00 0.00 N ATOM 646 CA LYS A 45 8.546 -3.511 5.401 1.00 0.00 C ATOM 647 C LYS A 45 8.680 -1.994 5.479 1.00 0.00 C ATOM 648 O LYS A 45 9.678 -1.474 5.979 1.00 0.00 O ATOM 649 CB LYS A 45 8.488 -3.954 3.937 1.00 0.00 C ATOM 650 CG LYS A 45 8.644 -5.453 3.748 1.00 0.00 C ATOM 651 CD LYS A 45 9.695 -6.027 4.683 1.00 0.00 C ATOM 652 CE LYS A 45 10.055 -7.456 4.306 1.00 0.00 C ATOM 653 NZ LYS A 45 8.937 -8.400 4.581 1.00 0.00 N ATOM 0 H LYS A 45 6.688 -4.473 5.534 1.00 0.00 H new ATOM 0 HA LYS A 45 9.418 -3.960 5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.536 -3.639 3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.273 -3.442 3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.688 -5.945 3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.921 -5.663 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.590 -5.405 4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.325 -6.002 5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.314 -7.498 3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.939 -7.767 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.221 -9.363 4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.706 -8.379 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.101 -8.118 4.030 1.00 0.00 H new ATOM 667 N SER A 46 7.668 -1.289 4.984 1.00 0.00 N ATOM 668 CA SER A 46 7.674 0.170 4.996 1.00 0.00 C ATOM 669 C SER A 46 7.445 0.702 6.407 1.00 0.00 C ATOM 670 O SER A 46 7.753 1.855 6.705 1.00 0.00 O ATOM 671 CB SER A 46 6.600 0.713 4.052 1.00 0.00 C ATOM 672 OG SER A 46 6.531 -0.053 2.862 1.00 0.00 O ATOM 0 H SER A 46 6.833 -1.704 4.570 1.00 0.00 H new ATOM 0 HA SER A 46 8.652 0.508 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.632 0.701 4.553 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.819 1.752 3.807 1.00 0.00 H new ATOM 0 HG SER A 46 5.713 0.175 2.373 1.00 0.00 H new ATOM 678 N ASN A 47 6.901 -0.148 7.272 1.00 0.00 N ATOM 679 CA ASN A 47 6.630 0.236 8.653 1.00 0.00 C ATOM 680 C ASN A 47 5.572 1.334 8.714 1.00 0.00 C ATOM 681 O ASN A 47 5.595 2.185 9.604 1.00 0.00 O ATOM 682 CB ASN A 47 7.914 0.711 9.334 1.00 0.00 C ATOM 683 CG ASN A 47 7.746 0.879 10.832 1.00 0.00 C ATOM 684 OD1 ASN A 47 6.954 0.178 11.462 1.00 0.00 O ATOM 685 ND2 ASN A 47 8.492 1.813 11.410 1.00 0.00 N ATOM 0 H ASN A 47 6.639 -1.107 7.041 1.00 0.00 H new ATOM 0 HA ASN A 47 6.251 -0.640 9.180 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.712 -0.005 9.139 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.224 1.660 8.897 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.422 1.972 12.415 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.136 2.371 10.849 1.00 0.00 H new ATOM 692 N LEU A 48 4.646 1.309 7.762 1.00 0.00 N ATOM 693 CA LEU A 48 3.579 2.302 7.707 1.00 0.00 C ATOM 694 C LEU A 48 2.228 1.667 8.022 1.00 0.00 C ATOM 695 O LEU A 48 2.031 0.461 7.874 1.00 0.00 O ATOM 696 CB LEU A 48 3.536 2.958 6.325 1.00 0.00 C ATOM 697 CG LEU A 48 4.592 4.033 6.060 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.641 4.379 4.581 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.308 5.275 6.892 1.00 0.00 C ATOM 0 H LEU A 48 4.612 0.612 7.018 1.00 0.00 H new ATOM 0 HA LEU A 48 3.787 3.064 8.458 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.643 2.178 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.551 3.403 6.186 1.00 0.00 H new ATOM 0 HG LEU A 48 5.566 3.640 6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.398 5.145 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.893 3.487 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.668 4.753 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.069 6.029 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.327 5.671 6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.325 5.016 7.951 1.00 0.00 H new ATOM 711 N PRO A 49 1.273 2.498 8.465 1.00 0.00 N ATOM 712 CA PRO A 49 -0.077 2.041 8.808 1.00 0.00 C ATOM 713 C PRO A 49 -0.876 1.620 7.579 1.00 0.00 C ATOM 714 O PRO A 49 -0.609 2.076 6.466 1.00 0.00 O ATOM 715 CB PRO A 49 -0.712 3.270 9.463 1.00 0.00 C ATOM 716 CG PRO A 49 0.030 4.429 8.894 1.00 0.00 C ATOM 717 CD PRO A 49 1.436 3.948 8.665 1.00 0.00 C ATOM 0 HA PRO A 49 -0.058 1.161 9.450 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.777 3.333 9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.617 3.234 10.548 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.425 4.764 7.962 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.014 5.277 9.579 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.887 4.425 7.795 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.079 4.166 9.518 1.00 0.00 H new ATOM 725 N LEU A 50 -1.857 0.749 7.787 1.00 0.00 N ATOM 726 CA LEU A 50 -2.696 0.267 6.695 1.00 0.00 C ATOM 727 C LEU A 50 -3.188 1.426 5.834 1.00 0.00 C ATOM 728 O LEU A 50 -3.115 1.376 4.605 1.00 0.00 O ATOM 729 CB LEU A 50 -3.890 -0.514 7.249 1.00 0.00 C ATOM 730 CG LEU A 50 -4.651 -1.379 6.244 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.189 -0.526 5.106 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.756 -2.486 5.707 1.00 0.00 C ATOM 0 H LEU A 50 -2.091 0.362 8.701 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.094 -0.395 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.536 -1.156 8.056 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.590 0.196 7.690 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.496 -1.840 6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.728 -1.159 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.865 0.229 5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.360 -0.037 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.315 -3.091 4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.891 -2.046 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.420 -3.115 6.532 1.00 0.00 H new ATOM 744 N THR A 51 -3.688 2.471 6.486 1.00 0.00 N ATOM 745 CA THR A 51 -4.191 3.643 5.781 1.00 0.00 C ATOM 746 C THR A 51 -3.142 4.202 4.827 1.00 0.00 C ATOM 747 O THR A 51 -3.475 4.852 3.836 1.00 0.00 O ATOM 748 CB THR A 51 -4.617 4.750 6.763 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.459 5.698 6.097 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.402 5.459 7.340 1.00 0.00 C ATOM 0 H THR A 51 -3.755 2.529 7.502 1.00 0.00 H new ATOM 0 HA THR A 51 -5.062 3.319 5.211 1.00 0.00 H new ATOM 0 HB THR A 51 -5.169 4.287 7.581 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.727 6.398 6.728 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.728 6.237 8.031 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.779 4.739 7.872 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.826 5.910 6.532 1.00 0.00 H new ATOM 758 N GLU A 52 -1.874 3.945 5.132 1.00 0.00 N ATOM 759 CA GLU A 52 -0.776 4.424 4.300 1.00 0.00 C ATOM 760 C GLU A 52 -0.477 3.439 3.173 1.00 0.00 C ATOM 761 O GLU A 52 -0.332 3.830 2.015 1.00 0.00 O ATOM 762 CB GLU A 52 0.478 4.642 5.148 1.00 0.00 C ATOM 763 CG GLU A 52 0.516 5.993 5.843 1.00 0.00 C ATOM 764 CD GLU A 52 0.708 7.143 4.874 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.628 7.062 4.034 1.00 0.00 O ATOM 766 OE2 GLU A 52 -0.061 8.123 4.956 1.00 0.00 O ATOM 0 H GLU A 52 -1.582 3.408 5.949 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.077 5.374 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.540 3.855 5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.358 4.545 4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.412 6.139 6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.325 5.999 6.573 1.00 0.00 H new ATOM 773 N ILE A 53 -0.387 2.160 3.522 1.00 0.00 N ATOM 774 CA ILE A 53 -0.105 1.119 2.542 1.00 0.00 C ATOM 775 C ILE A 53 -1.226 1.017 1.512 1.00 0.00 C ATOM 776 O ILE A 53 -0.993 0.649 0.362 1.00 0.00 O ATOM 777 CB ILE A 53 0.084 -0.253 3.215 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.486 -0.359 3.819 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.153 -1.372 2.213 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.818 0.763 4.777 1.00 0.00 C ATOM 0 H ILE A 53 -0.505 1.820 4.476 1.00 0.00 H new ATOM 0 HA ILE A 53 0.822 1.399 2.042 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.646 -0.351 4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.576 -1.311 4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.220 -0.367 3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.016 -2.335 2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.169 -1.304 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.556 -1.280 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.826 0.623 5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.760 1.717 4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.107 0.759 5.603 1.00 0.00 H new ATOM 792 N ASN A 54 -2.442 1.348 1.934 1.00 0.00 N ATOM 793 CA ASN A 54 -3.599 1.295 1.048 1.00 0.00 C ATOM 794 C ASN A 54 -3.575 2.450 0.052 1.00 0.00 C ATOM 795 O ASN A 54 -3.723 2.249 -1.154 1.00 0.00 O ATOM 796 CB ASN A 54 -4.893 1.336 1.862 1.00 0.00 C ATOM 797 CG ASN A 54 -5.380 -0.049 2.244 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.639 -1.027 2.151 1.00 0.00 O ATOM 799 ND2 ASN A 54 -6.633 -0.137 2.676 1.00 0.00 N ATOM 0 H ASN A 54 -2.652 1.656 2.884 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.557 0.358 0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.732 1.924 2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.666 1.844 1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.017 -1.042 2.947 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.211 0.701 2.737 1.00 0.00 H new ATOM 806 N LYS A 55 -3.387 3.662 0.564 1.00 0.00 N ATOM 807 CA LYS A 55 -3.342 4.851 -0.279 1.00 0.00 C ATOM 808 C LYS A 55 -2.091 4.851 -1.152 1.00 0.00 C ATOM 809 O LYS A 55 -2.131 5.272 -2.309 1.00 0.00 O ATOM 810 CB LYS A 55 -3.374 6.114 0.584 1.00 0.00 C ATOM 811 CG LYS A 55 -2.152 6.276 1.471 1.00 0.00 C ATOM 812 CD LYS A 55 -2.296 7.465 2.407 1.00 0.00 C ATOM 813 CE LYS A 55 -1.957 8.771 1.706 1.00 0.00 C ATOM 814 NZ LYS A 55 -2.512 9.949 2.429 1.00 0.00 N ATOM 0 H LYS A 55 -3.263 3.847 1.560 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.217 4.839 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.459 6.985 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.266 6.094 1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.002 5.368 2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.265 6.406 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.317 7.509 2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.641 7.333 3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.874 8.870 1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.350 8.750 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.259 10.820 1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.547 9.867 2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.117 9.984 3.391 1.00 0.00 H new ATOM 828 N ILE A 56 -0.984 4.375 -0.593 1.00 0.00 N ATOM 829 CA ILE A 56 0.276 4.318 -1.322 1.00 0.00 C ATOM 830 C ILE A 56 0.235 3.248 -2.408 1.00 0.00 C ATOM 831 O ILE A 56 0.477 3.531 -3.583 1.00 0.00 O ATOM 832 CB ILE A 56 1.460 4.031 -0.379 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.616 5.163 0.638 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.742 3.850 -1.179 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.317 4.739 1.910 1.00 0.00 C ATOM 0 H ILE A 56 -0.934 4.023 0.363 1.00 0.00 H new ATOM 0 HA ILE A 56 0.418 5.295 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 56 1.259 3.107 0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.175 5.979 0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.630 5.554 0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.570 3.648 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.626 3.013 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.950 4.759 -1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.393 5.591 2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.748 3.944 2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.316 4.376 1.671 1.00 0.00 H new ATOM 847 N LEU A 57 -0.074 2.020 -2.009 1.00 0.00 N ATOM 848 CA LEU A 57 -0.150 0.906 -2.949 1.00 0.00 C ATOM 849 C LEU A 57 -0.934 1.299 -4.197 1.00 0.00 C ATOM 850 O LEU A 57 -0.602 0.886 -5.308 1.00 0.00 O ATOM 851 CB LEU A 57 -0.803 -0.306 -2.283 1.00 0.00 C ATOM 852 CG LEU A 57 0.111 -1.166 -1.410 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.690 -2.247 -0.701 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.221 -1.785 -2.248 1.00 0.00 C ATOM 0 H LEU A 57 -0.276 1.769 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 57 0.865 0.645 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.633 0.045 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.228 -0.939 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 57 0.567 -0.526 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.023 -2.849 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.448 -1.783 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.175 -2.885 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.862 -2.394 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.784 -2.411 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.813 -0.994 -2.709 1.00 0.00 H new ATOM 866 N LYS A 58 -1.975 2.102 -4.007 1.00 0.00 N ATOM 867 CA LYS A 58 -2.806 2.555 -5.116 1.00 0.00 C ATOM 868 C LYS A 58 -2.127 3.690 -5.876 1.00 0.00 C ATOM 869 O LYS A 58 -1.861 3.577 -7.072 1.00 0.00 O ATOM 870 CB LYS A 58 -4.172 3.017 -4.603 1.00 0.00 C ATOM 871 CG LYS A 58 -5.293 2.839 -5.612 1.00 0.00 C ATOM 872 CD LYS A 58 -5.207 3.866 -6.728 1.00 0.00 C ATOM 873 CE LYS A 58 -6.161 3.535 -7.865 1.00 0.00 C ATOM 874 NZ LYS A 58 -5.586 2.524 -8.795 1.00 0.00 N ATOM 0 H LYS A 58 -2.264 2.453 -3.094 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.946 1.716 -5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.418 2.461 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.109 4.069 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.247 1.836 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.255 2.928 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.440 4.855 -6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.186 3.907 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.098 3.159 -7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.397 4.444 -8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.267 2.326 -9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.705 2.892 -9.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.385 1.647 -8.273 1.00 0.00 H new ATOM 888 N ASN A 59 -1.848 4.783 -5.173 1.00 0.00 N ATOM 889 CA ASN A 59 -1.199 5.939 -5.782 1.00 0.00 C ATOM 890 C ASN A 59 -0.190 5.501 -6.840 1.00 0.00 C ATOM 891 O ASN A 59 -0.175 6.026 -7.954 1.00 0.00 O ATOM 892 CB ASN A 59 -0.500 6.780 -4.712 1.00 0.00 C ATOM 893 CG ASN A 59 -1.404 7.854 -4.140 1.00 0.00 C ATOM 894 OD1 ASN A 59 -2.272 8.386 -4.833 1.00 0.00 O ATOM 895 ND2 ASN A 59 -1.205 8.179 -2.867 1.00 0.00 N ATOM 0 H ASN A 59 -2.061 4.893 -4.182 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.967 6.543 -6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.159 6.129 -3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.387 7.246 -5.142 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.783 8.895 -2.427 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.474 7.712 -2.330 1.00 0.00 H new ATOM 902 N LEU A 60 0.651 4.536 -6.484 1.00 0.00 N ATOM 903 CA LEU A 60 1.663 4.027 -7.403 1.00 0.00 C ATOM 904 C LEU A 60 1.017 3.427 -8.647 1.00 0.00 C ATOM 905 O LEU A 60 1.424 3.718 -9.771 1.00 0.00 O ATOM 906 CB LEU A 60 2.529 2.975 -6.706 1.00 0.00 C ATOM 907 CG LEU A 60 3.396 3.478 -5.552 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.879 2.313 -4.701 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.576 4.280 -6.081 1.00 0.00 C ATOM 0 H LEU A 60 0.652 4.091 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 60 2.292 4.862 -7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.876 2.188 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.180 2.518 -7.451 1.00 0.00 H new ATOM 0 HG LEU A 60 2.790 4.133 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.495 2.690 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.020 1.780 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.469 1.633 -5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.182 4.630 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.183 3.649 -6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.209 5.136 -6.647 1.00 0.00 H new ATOM 921 N GLU A 61 0.006 2.589 -8.437 1.00 0.00 N ATOM 922 CA GLU A 61 -0.698 1.949 -9.543 1.00 0.00 C ATOM 923 C GLU A 61 -1.106 2.977 -10.595 1.00 0.00 C ATOM 924 O GLU A 61 -1.370 2.631 -11.746 1.00 0.00 O ATOM 925 CB GLU A 61 -1.934 1.209 -9.030 1.00 0.00 C ATOM 926 CG GLU A 61 -1.629 -0.169 -8.467 1.00 0.00 C ATOM 927 CD GLU A 61 -2.879 -0.999 -8.247 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.765 -0.547 -7.491 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.972 -2.099 -8.829 1.00 0.00 O ATOM 0 H GLU A 61 -0.344 2.338 -7.512 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.020 1.231 -10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.412 1.810 -8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.651 1.109 -9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.962 -0.697 -9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.098 -0.062 -7.521 1.00 0.00 H new ATOM 936 N SER A 62 -1.155 4.242 -10.190 1.00 0.00 N ATOM 937 CA SER A 62 -1.536 5.320 -11.095 1.00 0.00 C ATOM 938 C SER A 62 -0.314 5.880 -11.817 1.00 0.00 C ATOM 939 O SER A 62 -0.417 6.392 -12.932 1.00 0.00 O ATOM 940 CB SER A 62 -2.243 6.436 -10.324 1.00 0.00 C ATOM 941 OG SER A 62 -3.155 7.132 -11.157 1.00 0.00 O ATOM 0 H SER A 62 -0.936 4.546 -9.241 1.00 0.00 H new ATOM 0 HA SER A 62 -2.221 4.912 -11.839 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.774 6.013 -9.471 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.504 7.132 -9.926 1.00 0.00 H new ATOM 0 HG SER A 62 -3.595 7.839 -10.641 1.00 0.00 H new ATOM 947 N LYS A 63 0.844 5.778 -11.173 1.00 0.00 N ATOM 948 CA LYS A 63 2.088 6.273 -11.751 1.00 0.00 C ATOM 949 C LYS A 63 2.731 5.215 -12.642 1.00 0.00 C ATOM 950 O LYS A 63 3.907 5.317 -12.994 1.00 0.00 O ATOM 951 CB LYS A 63 3.061 6.683 -10.644 1.00 0.00 C ATOM 952 CG LYS A 63 2.475 7.676 -9.655 1.00 0.00 C ATOM 953 CD LYS A 63 3.251 7.687 -8.349 1.00 0.00 C ATOM 954 CE LYS A 63 3.205 9.055 -7.685 1.00 0.00 C ATOM 955 NZ LYS A 63 4.286 9.217 -6.674 1.00 0.00 N ATOM 0 H LYS A 63 0.947 5.357 -10.250 1.00 0.00 H new ATOM 0 HA LYS A 63 1.855 7.145 -12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.381 5.791 -10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.952 7.118 -11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.483 8.674 -10.092 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.433 7.423 -9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.838 6.939 -7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.288 7.408 -8.538 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.299 9.831 -8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.236 9.194 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.021 9.962 -5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.422 8.321 -6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.171 9.482 -7.152 1.00 0.00 H new ATOM 969 N LYS A 64 1.954 4.201 -13.005 1.00 0.00 N ATOM 970 CA LYS A 64 2.446 3.126 -13.858 1.00 0.00 C ATOM 971 C LYS A 64 3.706 2.499 -13.270 1.00 0.00 C ATOM 972 O LYS A 64 4.567 2.009 -14.002 1.00 0.00 O ATOM 973 CB LYS A 64 2.735 3.655 -15.265 1.00 0.00 C ATOM 974 CG LYS A 64 1.484 3.957 -16.070 1.00 0.00 C ATOM 975 CD LYS A 64 1.716 5.088 -17.058 1.00 0.00 C ATOM 976 CE LYS A 64 0.459 5.398 -17.856 1.00 0.00 C ATOM 977 NZ LYS A 64 0.215 4.387 -18.922 1.00 0.00 N ATOM 0 H LYS A 64 0.979 4.101 -12.721 1.00 0.00 H new ATOM 0 HA LYS A 64 1.673 2.360 -13.917 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.334 4.562 -15.187 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.335 2.922 -15.804 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.171 3.062 -16.607 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.671 4.224 -15.395 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.037 5.981 -16.522 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.523 4.818 -17.739 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.399 5.431 -17.184 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.550 6.386 -18.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.651 4.634 -19.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.022 4.373 -19.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.103 3.447 -18.490 1.00 0.00 H new ATOM 991 N LEU A 65 3.808 2.517 -11.946 1.00 0.00 N ATOM 992 CA LEU A 65 4.963 1.948 -11.259 1.00 0.00 C ATOM 993 C LEU A 65 4.674 0.524 -10.796 1.00 0.00 C ATOM 994 O LEU A 65 5.561 -0.331 -10.798 1.00 0.00 O ATOM 995 CB LEU A 65 5.347 2.818 -10.061 1.00 0.00 C ATOM 996 CG LEU A 65 5.619 4.292 -10.361 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.709 5.092 -9.071 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.896 4.444 -11.175 1.00 0.00 C ATOM 0 H LEU A 65 3.105 2.919 -11.326 1.00 0.00 H new ATOM 0 HA LEU A 65 5.796 1.920 -11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.546 2.760 -9.324 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.237 2.392 -9.599 1.00 0.00 H new ATOM 0 HG LEU A 65 4.788 4.682 -10.949 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.903 6.139 -9.305 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.769 5.010 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.520 4.701 -8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.074 5.500 -11.379 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.736 4.037 -10.613 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.794 3.905 -12.117 1.00 0.00 H new ATOM 1010 N ILE A 66 3.430 0.276 -10.403 1.00 0.00 N ATOM 1011 CA ILE A 66 3.024 -1.046 -9.941 1.00 0.00 C ATOM 1012 C ILE A 66 1.606 -1.376 -10.395 1.00 0.00 C ATOM 1013 O ILE A 66 0.908 -0.529 -10.953 1.00 0.00 O ATOM 1014 CB ILE A 66 3.099 -1.154 -8.407 1.00 0.00 C ATOM 1015 CG1 ILE A 66 2.023 -0.280 -7.759 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.482 -0.753 -7.914 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.708 -0.668 -6.332 1.00 0.00 C ATOM 0 H ILE A 66 2.685 0.973 -10.395 1.00 0.00 H new ATOM 0 HA ILE A 66 3.719 -1.761 -10.381 1.00 0.00 H new ATOM 0 HB ILE A 66 2.919 -2.191 -8.122 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.349 0.760 -7.781 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.111 -0.340 -8.353 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.519 -0.835 -6.828 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.230 -1.413 -8.353 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.689 0.276 -8.208 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.937 -0.006 -5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.351 -1.698 -6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.608 -0.580 -5.724 1.00 0.00 H new ATOM 1029 N LYS A 67 1.184 -2.611 -10.148 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.152 -3.054 -10.528 1.00 0.00 C ATOM 1031 C LYS A 67 -0.651 -4.146 -9.586 1.00 0.00 C ATOM 1032 O LYS A 67 0.129 -4.743 -8.845 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.151 -3.569 -11.969 1.00 0.00 C ATOM 1034 CG LYS A 67 0.817 -4.716 -12.204 1.00 0.00 C ATOM 1035 CD LYS A 67 0.710 -5.254 -13.621 1.00 0.00 C ATOM 1036 CE LYS A 67 1.268 -6.665 -13.725 1.00 0.00 C ATOM 1037 NZ LYS A 67 1.151 -7.207 -15.107 1.00 0.00 N ATOM 0 H LYS A 67 1.749 -3.324 -9.686 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.825 -2.200 -10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.158 -3.895 -12.230 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.102 -2.748 -12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.836 -4.377 -12.018 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.613 -5.517 -11.493 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.334 -5.250 -13.935 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.250 -4.597 -14.303 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.315 -6.665 -13.422 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.736 -7.318 -13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.542 -8.170 -15.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.150 -7.231 -15.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.679 -6.599 -15.764 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.955 -4.401 -9.623 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.557 -5.423 -8.775 1.00 0.00 C ATOM 1053 C ALA A 68 -2.722 -6.737 -9.533 1.00 0.00 C ATOM 1054 O ALA A 68 -3.331 -6.776 -10.602 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.900 -4.945 -8.245 1.00 0.00 C ATOM 0 H ALA A 68 -2.614 -3.914 -10.231 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.889 -5.601 -7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.338 -5.718 -7.614 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.758 -4.036 -7.660 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.568 -4.738 -9.081 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.176 -7.811 -8.972 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.264 -9.126 -9.595 1.00 0.00 C ATOM 1063 C VAL A 69 -2.823 -10.159 -8.622 1.00 0.00 C ATOM 1064 O VAL A 69 -2.648 -10.044 -7.409 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.888 -9.603 -10.097 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.959 -11.050 -10.557 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.389 -8.702 -11.217 1.00 0.00 C ATOM 0 H VAL A 69 -1.668 -7.796 -8.088 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.939 -9.028 -10.445 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.179 -9.545 -9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.022 -11.369 -10.908 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.269 -11.682 -9.725 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.681 -11.139 -11.369 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.584 -9.053 -11.560 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.096 -8.726 -12.046 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.297 -7.680 -10.848 1.00 0.00 H new ATOM 1223 N VAL A 79 -2.170 -8.902 -4.452 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.725 -8.753 -4.579 1.00 0.00 C ATOM 1225 C VAL A 79 -0.370 -7.562 -5.461 1.00 0.00 C ATOM 1226 O VAL A 79 -1.061 -7.272 -6.438 1.00 0.00 O ATOM 1227 CB VAL A 79 -0.080 -10.023 -5.165 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.430 -9.985 -4.989 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.669 -11.267 -4.518 1.00 0.00 C ATOM 0 HA VAL A 79 -0.335 -8.586 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.297 -10.060 -6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.868 -10.890 -5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.834 -9.114 -5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.671 -9.924 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.202 -12.155 -4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.485 -11.240 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.743 -11.299 -4.702 1.00 0.00 H new ATOM 1239 N TYR A 80 0.711 -6.875 -5.111 1.00 0.00 N ATOM 1240 CA TYR A 80 1.158 -5.713 -5.870 1.00 0.00 C ATOM 1241 C TYR A 80 2.587 -5.904 -6.370 1.00 0.00 C ATOM 1242 O TYR A 80 3.497 -6.180 -5.589 1.00 0.00 O ATOM 1243 CB TYR A 80 1.071 -4.451 -5.010 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.346 -3.989 -4.755 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -1.027 -3.222 -5.692 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -1.003 -4.320 -3.576 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.321 -2.797 -5.462 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -2.298 -3.900 -3.339 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.952 -3.139 -4.285 1.00 0.00 C ATOM 1250 OH TYR A 80 -4.242 -2.718 -4.053 1.00 0.00 O ATOM 0 H TYR A 80 1.295 -7.103 -4.306 1.00 0.00 H new ATOM 0 HA TYR A 80 0.502 -5.602 -6.734 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.561 -4.638 -4.054 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.623 -3.649 -5.500 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.536 -2.953 -6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.493 -4.915 -2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.836 -2.200 -6.200 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.795 -4.166 -2.418 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.540 -3.045 -3.179 1.00 0.00 H new ATOM 1260 N MET A 81 2.775 -5.756 -7.677 1.00 0.00 N ATOM 1261 CA MET A 81 4.093 -5.910 -8.281 1.00 0.00 C ATOM 1262 C MET A 81 4.324 -4.855 -9.358 1.00 0.00 C ATOM 1263 O MET A 81 3.377 -4.358 -9.968 1.00 0.00 O ATOM 1264 CB MET A 81 4.242 -7.309 -8.882 1.00 0.00 C ATOM 1265 CG MET A 81 3.606 -7.451 -10.256 1.00 0.00 C ATOM 1266 SD MET A 81 3.646 -9.147 -10.867 1.00 0.00 S ATOM 1267 CE MET A 81 2.728 -9.992 -9.582 1.00 0.00 C ATOM 0 H MET A 81 2.032 -5.530 -8.338 1.00 0.00 H new ATOM 0 HA MET A 81 4.841 -5.776 -7.499 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.302 -7.554 -8.954 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.792 -8.036 -8.206 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.572 -7.109 -10.211 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.125 -6.802 -10.961 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.199 -10.842 -10.012 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.417 -10.344 -8.814 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.009 -9.305 -9.136 1.00 0.00 H new ATOM 1277 N LEU A 82 5.588 -4.516 -9.586 1.00 0.00 N ATOM 1278 CA LEU A 82 5.944 -3.519 -10.590 1.00 0.00 C ATOM 1279 C LEU A 82 4.998 -3.587 -11.784 1.00 0.00 C ATOM 1280 O LEU A 82 4.451 -4.645 -12.096 1.00 0.00 O ATOM 1281 CB LEU A 82 7.387 -3.726 -11.054 1.00 0.00 C ATOM 1282 CG LEU A 82 8.477 -3.317 -10.063 1.00 0.00 C ATOM 1283 CD1 LEU A 82 9.718 -4.174 -10.251 1.00 0.00 C ATOM 1284 CD2 LEU A 82 8.816 -1.842 -10.222 1.00 0.00 C ATOM 0 H LEU A 82 6.384 -4.917 -9.089 1.00 0.00 H new ATOM 0 HA LEU A 82 5.854 -2.533 -10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.522 -4.780 -11.296 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.534 -3.165 -11.977 1.00 0.00 H new ATOM 0 HG LEU A 82 8.101 -3.476 -9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.483 -3.868 -9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.465 -5.221 -10.086 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.097 -4.048 -11.265 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.594 -1.568 -9.509 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.172 -1.658 -11.236 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.925 -1.242 -10.036 1.00 0.00 H new ATOM 1296 N TYR A 83 4.813 -2.453 -12.451 1.00 0.00 N ATOM 1297 CA TYR A 83 3.933 -2.384 -13.612 1.00 0.00 C ATOM 1298 C TYR A 83 4.623 -2.943 -14.852 1.00 0.00 C ATOM 1299 O TYR A 83 4.021 -3.682 -15.630 1.00 0.00 O ATOM 1300 CB TYR A 83 3.499 -0.939 -13.863 1.00 0.00 C ATOM 1301 CG TYR A 83 2.448 -0.801 -14.942 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.368 -1.673 -15.003 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.536 0.201 -15.900 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.407 -1.551 -15.987 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.578 0.331 -16.887 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.516 -0.548 -16.927 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.441 -0.422 -17.908 1.00 0.00 O ATOM 0 H TYR A 83 5.260 -1.569 -12.208 1.00 0.00 H new ATOM 0 HA TYR A 83 3.051 -2.990 -13.405 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.112 -0.518 -12.935 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.373 -0.349 -14.141 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.279 -2.460 -14.268 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.367 0.890 -15.873 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.426 -2.238 -16.020 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.660 1.117 -17.623 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.216 0.335 -18.489 1.00 0.00 H new ATOM 1317 N ASN A 84 5.890 -2.585 -15.028 1.00 0.00 N ATOM 1318 CA ASN A 84 6.664 -3.050 -16.174 1.00 0.00 C ATOM 1319 C ASN A 84 6.820 -4.567 -16.145 1.00 0.00 C ATOM 1320 O ASN A 84 6.811 -5.224 -17.187 1.00 0.00 O ATOM 1321 CB ASN A 84 8.042 -2.385 -16.189 1.00 0.00 C ATOM 1322 CG ASN A 84 8.019 -1.023 -16.857 1.00 0.00 C ATOM 1323 OD1 ASN A 84 7.031 -0.645 -17.487 1.00 0.00 O ATOM 1324 ND2 ASN A 84 9.111 -0.279 -16.722 1.00 0.00 N ATOM 0 H ASN A 84 6.403 -1.974 -14.392 1.00 0.00 H new ATOM 0 HA ASN A 84 6.125 -2.775 -17.081 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.402 -2.279 -15.166 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.749 -3.031 -16.711 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.154 0.646 -17.150 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.907 -0.633 -16.191 1.00 0.00 H new