USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 834 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 79 THR OG1 : rot -27:sc= 1.15 USER MOD Set 1.2: A 80 HIS : no HE2:sc= -3.29! C(o=-2.4!,f=-14!) USER MOD Set 1.3: A 102 HIS : no HD1:sc= -0.232 X(o=-2.4,f=-2.4) USER MOD Set 2.1: A 47 TYR OH : rot 149:sc= -2.52! USER MOD Set 2.2: A 49 CYS SG : rot 170:sc= -0.388 USER MOD Set 3.1: A 44 CYS SG : rot 42:sc= 1.08 USER MOD Set 3.2: A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.418 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 28 ASN : amide:sc= -0.0543 K(o=-0.054,f=-1.1) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.1) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 143:sc= 0.376 (180deg=-0.15) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.82 K(o=-1.8,f=-4.5!) USER MOD Single : A 73 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.026) USER MOD Single : A 75 ASN : amide:sc= -3.56! C(o=-3.6!,f=-2.8!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.334 K(o=-0.33,f=-2.6!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= 0.0567 X(o=0.057,f=-0.31) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot -159:sc= -5.48! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.153 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -171:sc= 0.566 USER MOD Single : A 126 HIS : no HD1:sc= -1.87 X(o=-1.9,f=-1.8) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 0.594 9.015 6.667 1.00 0.00 N ATOM 259 CA PRO A 21 0.606 8.032 5.598 1.00 0.00 C ATOM 260 C PRO A 21 -0.095 6.742 6.031 1.00 0.00 C ATOM 261 O PRO A 21 0.548 5.707 6.194 1.00 0.00 O ATOM 262 CB PRO A 21 2.076 7.826 5.268 1.00 0.00 C ATOM 263 CG PRO A 21 2.849 8.347 6.469 1.00 0.00 C ATOM 264 CD PRO A 21 1.890 9.159 7.324 1.00 0.00 C ATOM 0 HA PRO A 21 0.056 8.363 4.717 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.293 6.773 5.091 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.352 8.365 4.362 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.265 7.519 7.043 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.687 8.964 6.145 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.859 8.785 8.347 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.194 10.205 7.376 1.00 0.00 H new ATOM 272 N THR A 22 -1.404 6.848 6.205 1.00 0.00 N ATOM 273 CA THR A 22 -2.200 5.704 6.616 1.00 0.00 C ATOM 274 C THR A 22 -3.253 5.379 5.556 1.00 0.00 C ATOM 275 O THR A 22 -3.599 6.229 4.737 1.00 0.00 O ATOM 276 CB THR A 22 -2.796 6.012 7.991 1.00 0.00 C ATOM 277 OG1 THR A 22 -3.526 7.219 7.790 1.00 0.00 O ATOM 278 CG2 THR A 22 -1.729 6.388 9.021 1.00 0.00 C ATOM 0 H THR A 22 -1.934 7.709 6.069 1.00 0.00 H new ATOM 0 HA THR A 22 -1.587 4.807 6.705 1.00 0.00 H new ATOM 0 HB THR A 22 -3.354 5.146 8.347 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.947 7.491 8.632 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.205 6.597 9.979 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.028 5.561 9.137 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.192 7.274 8.682 1.00 0.00 H new ATOM 286 N LEU A 23 -3.735 4.145 5.605 1.00 0.00 N ATOM 287 CA LEU A 23 -4.743 3.697 4.659 1.00 0.00 C ATOM 288 C LEU A 23 -5.923 4.671 4.677 1.00 0.00 C ATOM 289 O LEU A 23 -6.272 5.248 3.648 1.00 0.00 O ATOM 290 CB LEU A 23 -5.139 2.247 4.945 1.00 0.00 C ATOM 291 CG LEU A 23 -5.073 1.287 3.755 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.786 1.875 2.536 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.626 0.901 3.442 1.00 0.00 C ATOM 0 H LEU A 23 -3.446 3.442 6.285 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.342 3.700 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.491 1.863 5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.156 2.239 5.337 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.599 0.371 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.724 1.173 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.833 2.058 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.310 2.814 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.607 0.218 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.055 1.797 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.184 0.412 4.310 1.00 0.00 H new ATOM 305 N GLU A 24 -6.504 4.825 5.858 1.00 0.00 N ATOM 306 CA GLU A 24 -7.637 5.719 6.024 1.00 0.00 C ATOM 307 C GLU A 24 -7.320 7.093 5.430 1.00 0.00 C ATOM 308 O GLU A 24 -8.227 7.857 5.103 1.00 0.00 O ATOM 309 CB GLU A 24 -8.032 5.837 7.497 1.00 0.00 C ATOM 310 CG GLU A 24 -8.805 4.599 7.957 1.00 0.00 C ATOM 311 CD GLU A 24 -9.413 4.817 9.345 1.00 0.00 C ATOM 312 OE1 GLU A 24 -8.621 5.074 10.277 1.00 0.00 O ATOM 313 OE2 GLU A 24 -10.656 4.722 9.441 1.00 0.00 O ATOM 0 H GLU A 24 -6.211 4.345 6.709 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.487 5.299 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.138 5.960 8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.643 6.727 7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.595 4.372 7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.138 3.737 7.979 1.00 0.00 H new ATOM 320 N ASN A 25 -6.029 7.367 5.308 1.00 0.00 N ATOM 321 CA ASN A 25 -5.581 8.635 4.760 1.00 0.00 C ATOM 322 C ASN A 25 -4.695 8.374 3.540 1.00 0.00 C ATOM 323 O ASN A 25 -3.526 8.755 3.524 1.00 0.00 O ATOM 324 CB ASN A 25 -4.756 9.417 5.784 1.00 0.00 C ATOM 325 CG ASN A 25 -5.606 9.797 6.998 1.00 0.00 C ATOM 326 OD1 ASN A 25 -6.817 9.932 6.923 1.00 0.00 O ATOM 327 ND2 ASN A 25 -4.907 9.962 8.117 1.00 0.00 N ATOM 0 H ASN A 25 -5.279 6.731 5.580 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.463 9.215 4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.905 8.817 6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.354 10.318 5.321 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.383 10.217 8.982 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.895 9.833 8.110 1.00 0.00 H new ATOM 334 N LEU A 26 -5.287 7.726 2.547 1.00 0.00 N ATOM 335 CA LEU A 26 -4.566 7.410 1.325 1.00 0.00 C ATOM 336 C LEU A 26 -4.812 8.513 0.293 1.00 0.00 C ATOM 337 O LEU A 26 -3.890 8.927 -0.408 1.00 0.00 O ATOM 338 CB LEU A 26 -4.939 6.011 0.831 1.00 0.00 C ATOM 339 CG LEU A 26 -3.769 5.093 0.469 1.00 0.00 C ATOM 340 CD1 LEU A 26 -4.210 4.002 -0.508 1.00 0.00 C ATOM 341 CD2 LEU A 26 -2.586 5.900 -0.068 1.00 0.00 C ATOM 0 H LEU A 26 -6.257 7.411 2.564 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.492 7.382 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.534 5.522 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.578 6.115 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.432 4.594 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.360 3.364 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.997 3.401 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.588 4.462 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.768 5.224 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.892 6.444 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.253 6.607 0.692 1.00 0.00 H new ATOM 353 N GLU A 27 -6.059 8.956 0.233 1.00 0.00 N ATOM 354 CA GLU A 27 -6.437 10.003 -0.701 1.00 0.00 C ATOM 355 C GLU A 27 -5.654 11.284 -0.408 1.00 0.00 C ATOM 356 O GLU A 27 -5.256 11.997 -1.328 1.00 0.00 O ATOM 357 CB GLU A 27 -7.944 10.259 -0.657 1.00 0.00 C ATOM 358 CG GLU A 27 -8.714 9.115 -1.320 1.00 0.00 C ATOM 359 CD GLU A 27 -9.767 9.654 -2.292 1.00 0.00 C ATOM 360 OE1 GLU A 27 -10.464 10.614 -1.898 1.00 0.00 O ATOM 361 OE2 GLU A 27 -9.850 9.094 -3.406 1.00 0.00 O ATOM 0 H GLU A 27 -6.821 8.609 0.816 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.188 9.671 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.268 10.368 0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.172 11.197 -1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.020 8.466 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.197 8.506 -0.556 1.00 0.00 H new ATOM 368 N ASN A 28 -5.456 11.538 0.878 1.00 0.00 N ATOM 369 CA ASN A 28 -4.728 12.721 1.304 1.00 0.00 C ATOM 370 C ASN A 28 -3.318 12.317 1.740 1.00 0.00 C ATOM 371 O ASN A 28 -2.838 12.757 2.784 1.00 0.00 O ATOM 372 CB ASN A 28 -5.417 13.393 2.493 1.00 0.00 C ATOM 373 CG ASN A 28 -6.638 14.195 2.038 1.00 0.00 C ATOM 374 OD1 ASN A 28 -6.671 14.767 0.961 1.00 0.00 O ATOM 375 ND2 ASN A 28 -7.636 14.205 2.916 1.00 0.00 N ATOM 0 H ASN A 28 -5.787 10.944 1.638 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.695 13.417 0.466 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.723 12.636 3.216 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.713 14.052 3.001 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.495 14.713 2.706 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.543 13.705 3.800 1.00 0.00 H new ATOM 382 N LEU A 29 -2.695 11.485 0.919 1.00 0.00 N ATOM 383 CA LEU A 29 -1.350 11.017 1.207 1.00 0.00 C ATOM 384 C LEU A 29 -0.351 11.778 0.333 1.00 0.00 C ATOM 385 O LEU A 29 -0.681 12.189 -0.779 1.00 0.00 O ATOM 386 CB LEU A 29 -1.267 9.497 1.054 1.00 0.00 C ATOM 387 CG LEU A 29 0.143 8.906 0.984 1.00 0.00 C ATOM 388 CD1 LEU A 29 0.859 9.034 2.330 1.00 0.00 C ATOM 389 CD2 LEU A 29 0.106 7.458 0.489 1.00 0.00 C ATOM 0 H LEU A 29 -3.097 11.123 0.054 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.089 11.225 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.791 9.038 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.804 9.213 0.149 1.00 0.00 H new ATOM 0 HG LEU A 29 0.719 9.480 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.859 8.606 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.935 10.086 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.294 8.500 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.120 7.061 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.492 6.855 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.337 7.425 -0.507 1.00 0.00 H new ATOM 401 N ASP A 30 0.850 11.944 0.868 1.00 0.00 N ATOM 402 CA ASP A 30 1.898 12.648 0.150 1.00 0.00 C ATOM 403 C ASP A 30 3.034 11.675 -0.170 1.00 0.00 C ATOM 404 O ASP A 30 4.045 11.643 0.529 1.00 0.00 O ATOM 405 CB ASP A 30 2.475 13.786 0.994 1.00 0.00 C ATOM 406 CG ASP A 30 3.678 14.503 0.378 1.00 0.00 C ATOM 407 OD1 ASP A 30 4.003 14.172 -0.782 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.245 15.367 1.082 1.00 0.00 O ATOM 0 H ASP A 30 1.120 11.603 1.790 1.00 0.00 H new ATOM 0 HA ASP A 30 1.464 13.059 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.688 14.518 1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.768 13.386 1.965 1.00 0.00 H new ATOM 413 N VAL A 31 2.829 10.903 -1.228 1.00 0.00 N ATOM 414 CA VAL A 31 3.824 9.931 -1.649 1.00 0.00 C ATOM 415 C VAL A 31 5.170 10.634 -1.839 1.00 0.00 C ATOM 416 O VAL A 31 6.221 9.999 -1.770 1.00 0.00 O ATOM 417 CB VAL A 31 3.346 9.206 -2.909 1.00 0.00 C ATOM 418 CG1 VAL A 31 3.071 10.197 -4.042 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.354 8.141 -3.344 1.00 0.00 C ATOM 0 H VAL A 31 1.989 10.931 -1.806 1.00 0.00 H new ATOM 0 HA VAL A 31 3.961 9.168 -0.882 1.00 0.00 H new ATOM 0 HB VAL A 31 2.409 8.703 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.733 9.655 -4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.299 10.901 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.985 10.742 -4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.990 7.641 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.314 8.613 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.478 7.409 -2.546 1.00 0.00 H new ATOM 429 N SER A 32 5.093 11.936 -2.073 1.00 0.00 N ATOM 430 CA SER A 32 6.292 12.732 -2.273 1.00 0.00 C ATOM 431 C SER A 32 6.995 12.965 -0.934 1.00 0.00 C ATOM 432 O SER A 32 8.158 13.366 -0.901 1.00 0.00 O ATOM 433 CB SER A 32 5.961 14.070 -2.938 1.00 0.00 C ATOM 434 OG SER A 32 6.695 14.263 -4.144 1.00 0.00 O ATOM 0 H SER A 32 4.219 12.459 -2.129 1.00 0.00 H new ATOM 0 HA SER A 32 6.960 12.183 -2.936 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.893 14.114 -3.153 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.181 14.883 -2.246 1.00 0.00 H new ATOM 0 HG SER A 32 6.454 15.127 -4.539 1.00 0.00 H new ATOM 440 N ALA A 33 6.261 12.703 0.137 1.00 0.00 N ATOM 441 CA ALA A 33 6.799 12.879 1.475 1.00 0.00 C ATOM 442 C ALA A 33 7.862 11.809 1.737 1.00 0.00 C ATOM 443 O ALA A 33 8.952 12.117 2.216 1.00 0.00 O ATOM 444 CB ALA A 33 5.659 12.830 2.494 1.00 0.00 C ATOM 0 H ALA A 33 5.297 12.370 0.105 1.00 0.00 H new ATOM 0 HA ALA A 33 7.280 13.852 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.062 12.962 3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.947 13.627 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.155 11.866 2.430 1.00 0.00 H new ATOM 450 N PHE A 34 7.507 10.575 1.411 1.00 0.00 N ATOM 451 CA PHE A 34 8.416 9.459 1.605 1.00 0.00 C ATOM 452 C PHE A 34 9.816 9.795 1.086 1.00 0.00 C ATOM 453 O PHE A 34 9.979 10.165 -0.076 1.00 0.00 O ATOM 454 CB PHE A 34 7.857 8.282 0.802 1.00 0.00 C ATOM 455 CG PHE A 34 6.487 7.797 1.281 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.325 7.378 2.564 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.432 7.786 0.423 1.00 0.00 C ATOM 458 CE1 PHE A 34 5.053 6.928 3.008 1.00 0.00 C ATOM 459 CE2 PHE A 34 4.161 7.336 0.867 1.00 0.00 C ATOM 460 CZ PHE A 34 3.998 6.917 2.150 1.00 0.00 C ATOM 0 H PHE A 34 6.602 10.324 1.014 1.00 0.00 H new ATOM 0 HA PHE A 34 8.497 9.226 2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.782 8.573 -0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.563 7.453 0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.163 7.387 3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.561 8.120 -0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.924 6.595 4.027 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.323 7.326 0.185 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.031 6.575 2.488 1.00 0.00 H new ATOM 470 N GLN A 35 10.790 9.656 1.973 1.00 0.00 N ATOM 471 CA GLN A 35 12.170 9.940 1.620 1.00 0.00 C ATOM 472 C GLN A 35 12.880 8.659 1.177 1.00 0.00 C ATOM 473 O GLN A 35 14.052 8.691 0.806 1.00 0.00 O ATOM 474 CB GLN A 35 12.909 10.602 2.784 1.00 0.00 C ATOM 475 CG GLN A 35 12.064 11.714 3.409 1.00 0.00 C ATOM 476 CD GLN A 35 12.449 13.081 2.838 1.00 0.00 C ATOM 477 OE1 GLN A 35 13.051 13.195 1.783 1.00 0.00 O ATOM 478 NE2 GLN A 35 12.068 14.108 3.592 1.00 0.00 N ATOM 0 H GLN A 35 10.651 9.350 2.936 1.00 0.00 H new ATOM 0 HA GLN A 35 12.173 10.641 0.785 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.148 9.854 3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.855 11.014 2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.008 11.522 3.222 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.201 11.716 4.490 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.567 13.942 4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.277 15.062 3.298 1.00 0.00 H new ATOM 487 N ALA A 36 12.140 7.561 1.232 1.00 0.00 N ATOM 488 CA ALA A 36 12.684 6.272 0.842 1.00 0.00 C ATOM 489 C ALA A 36 13.479 6.430 -0.455 1.00 0.00 C ATOM 490 O ALA A 36 13.381 7.455 -1.127 1.00 0.00 O ATOM 491 CB ALA A 36 11.546 5.257 0.708 1.00 0.00 C ATOM 0 H ALA A 36 11.168 7.538 1.541 1.00 0.00 H new ATOM 0 HA ALA A 36 13.367 5.898 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.954 4.290 0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.031 5.160 1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.842 5.598 -0.051 1.00 0.00 H new ATOM 497 N PRO A 37 14.271 5.372 -0.777 1.00 0.00 N ATOM 498 CA PRO A 37 15.083 5.384 -1.981 1.00 0.00 C ATOM 499 C PRO A 37 14.222 5.161 -3.226 1.00 0.00 C ATOM 500 O PRO A 37 13.150 4.563 -3.145 1.00 0.00 O ATOM 501 CB PRO A 37 16.116 4.288 -1.770 1.00 0.00 C ATOM 502 CG PRO A 37 15.561 3.398 -0.670 1.00 0.00 C ATOM 503 CD PRO A 37 14.413 4.141 -0.005 1.00 0.00 C ATOM 0 HA PRO A 37 15.569 6.345 -2.150 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.277 3.721 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.079 4.709 -1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.214 2.451 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.337 3.163 0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.496 3.553 -0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.632 4.353 1.042 1.00 0.00 H new ATOM 511 N GLU A 38 14.722 5.654 -4.349 1.00 0.00 N ATOM 512 CA GLU A 38 14.012 5.517 -5.609 1.00 0.00 C ATOM 513 C GLU A 38 14.051 4.063 -6.085 1.00 0.00 C ATOM 514 O GLU A 38 13.422 3.716 -7.084 1.00 0.00 O ATOM 515 CB GLU A 38 14.589 6.456 -6.670 1.00 0.00 C ATOM 516 CG GLU A 38 14.262 7.915 -6.347 1.00 0.00 C ATOM 517 CD GLU A 38 13.719 8.641 -7.579 1.00 0.00 C ATOM 518 OE1 GLU A 38 12.819 8.064 -8.227 1.00 0.00 O ATOM 519 OE2 GLU A 38 14.215 9.757 -7.845 1.00 0.00 O ATOM 0 H GLU A 38 15.611 6.149 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 38 12.971 5.799 -5.449 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.670 6.326 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.185 6.197 -7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.528 7.957 -5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.158 8.421 -5.988 1.00 0.00 H new ATOM 526 N ASP A 39 14.794 3.252 -5.347 1.00 0.00 N ATOM 527 CA ASP A 39 14.923 1.844 -5.680 1.00 0.00 C ATOM 528 C ASP A 39 14.427 0.998 -4.506 1.00 0.00 C ATOM 529 O ASP A 39 14.756 -0.182 -4.404 1.00 0.00 O ATOM 530 CB ASP A 39 16.383 1.472 -5.947 1.00 0.00 C ATOM 531 CG ASP A 39 17.266 2.625 -6.429 1.00 0.00 C ATOM 532 OD1 ASP A 39 16.901 3.224 -7.464 1.00 0.00 O ATOM 533 OD2 ASP A 39 18.286 2.880 -5.753 1.00 0.00 O ATOM 0 H ASP A 39 15.313 3.543 -4.519 1.00 0.00 H new ATOM 0 HA ASP A 39 14.333 1.655 -6.577 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.812 1.064 -5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.409 0.678 -6.693 1.00 0.00 H new ATOM 538 N LEU A 40 13.643 1.636 -3.649 1.00 0.00 N ATOM 539 CA LEU A 40 13.098 0.957 -2.485 1.00 0.00 C ATOM 540 C LEU A 40 12.680 -0.461 -2.878 1.00 0.00 C ATOM 541 O LEU A 40 13.173 -1.436 -2.313 1.00 0.00 O ATOM 542 CB LEU A 40 11.969 1.782 -1.864 1.00 0.00 C ATOM 543 CG LEU A 40 11.319 1.192 -0.610 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.370 0.886 0.459 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.215 2.109 -0.082 1.00 0.00 C ATOM 0 H LEU A 40 13.372 2.615 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 40 13.857 0.862 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.360 2.769 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.194 1.926 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 40 10.850 0.246 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.882 0.468 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.089 0.167 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.888 1.805 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.770 1.667 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.639 3.081 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.449 2.234 -0.847 1.00 0.00 H new ATOM 557 N LEU A 41 11.774 -0.532 -3.842 1.00 0.00 N ATOM 558 CA LEU A 41 11.283 -1.815 -4.316 1.00 0.00 C ATOM 559 C LEU A 41 11.916 -2.127 -5.674 1.00 0.00 C ATOM 560 O LEU A 41 11.223 -2.173 -6.689 1.00 0.00 O ATOM 561 CB LEU A 41 9.754 -1.831 -4.332 1.00 0.00 C ATOM 562 CG LEU A 41 9.063 -0.952 -3.287 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.652 -0.570 -3.739 1.00 0.00 C ATOM 564 CD2 LEU A 41 9.062 -1.628 -1.915 1.00 0.00 C ATOM 0 H LEU A 41 11.367 0.279 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 41 11.579 -2.612 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.417 -1.519 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.420 -2.859 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 41 9.632 -0.027 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.183 0.054 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.707 -0.019 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.059 -1.473 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.565 -0.982 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.531 -2.578 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.089 -1.807 -1.597 1.00 0.00 H new ATOM 576 N ASP A 42 13.224 -2.334 -5.648 1.00 0.00 N ATOM 577 CA ASP A 42 13.957 -2.641 -6.864 1.00 0.00 C ATOM 578 C ASP A 42 13.715 -4.103 -7.246 1.00 0.00 C ATOM 579 O ASP A 42 13.973 -5.007 -6.452 1.00 0.00 O ATOM 580 CB ASP A 42 15.462 -2.449 -6.664 1.00 0.00 C ATOM 581 CG ASP A 42 16.349 -3.221 -7.643 1.00 0.00 C ATOM 582 OD1 ASP A 42 16.316 -4.469 -7.575 1.00 0.00 O ATOM 583 OD2 ASP A 42 17.039 -2.546 -8.437 1.00 0.00 O ATOM 0 H ASP A 42 13.795 -2.295 -4.804 1.00 0.00 H new ATOM 0 HA ASP A 42 13.608 -1.967 -7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.692 -1.387 -6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.720 -2.750 -5.649 1.00 0.00 H new ATOM 588 N GLY A 43 13.221 -4.290 -8.461 1.00 0.00 N ATOM 589 CA GLY A 43 12.941 -5.626 -8.958 1.00 0.00 C ATOM 590 C GLY A 43 11.904 -6.331 -8.080 1.00 0.00 C ATOM 591 O GLY A 43 12.001 -7.534 -7.844 1.00 0.00 O ATOM 0 H GLY A 43 13.007 -3.538 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.575 -5.567 -9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.861 -6.210 -8.981 1.00 0.00 H new ATOM 595 N CYS A 44 10.936 -5.551 -7.622 1.00 0.00 N ATOM 596 CA CYS A 44 9.883 -6.086 -6.775 1.00 0.00 C ATOM 597 C CYS A 44 8.544 -5.874 -7.484 1.00 0.00 C ATOM 598 O CYS A 44 8.064 -4.746 -7.589 1.00 0.00 O ATOM 599 CB CYS A 44 9.898 -5.450 -5.384 1.00 0.00 C ATOM 600 SG CYS A 44 11.550 -5.651 -4.622 1.00 0.00 S ATOM 0 H CYS A 44 10.859 -4.554 -7.821 1.00 0.00 H new ATOM 0 HA CYS A 44 10.046 -7.152 -6.617 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.648 -4.392 -5.456 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.139 -5.914 -4.754 1.00 0.00 H new ATOM 0 HG CYS A 44 12.469 -5.435 -5.516 1.00 0.00 H new ATOM 606 N ARG A 45 7.978 -6.977 -7.953 1.00 0.00 N ATOM 607 CA ARG A 45 6.704 -6.926 -8.649 1.00 0.00 C ATOM 608 C ARG A 45 5.552 -7.131 -7.663 1.00 0.00 C ATOM 609 O ARG A 45 5.355 -8.233 -7.153 1.00 0.00 O ATOM 610 CB ARG A 45 6.629 -7.997 -9.740 1.00 0.00 C ATOM 611 CG ARG A 45 7.619 -7.701 -10.868 1.00 0.00 C ATOM 612 CD ARG A 45 7.731 -8.889 -11.825 1.00 0.00 C ATOM 613 NE ARG A 45 9.142 -9.321 -11.934 1.00 0.00 N ATOM 614 CZ ARG A 45 9.588 -10.214 -12.828 1.00 0.00 C ATOM 615 NH1 ARG A 45 8.735 -10.776 -13.695 1.00 0.00 N ATOM 616 NH2 ARG A 45 10.885 -10.546 -12.854 1.00 0.00 N ATOM 0 H ARG A 45 8.379 -7.911 -7.864 1.00 0.00 H new ATOM 0 HA ARG A 45 6.619 -5.944 -9.113 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.844 -8.975 -9.310 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.617 -8.041 -10.142 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.296 -6.816 -11.417 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.599 -7.475 -10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.116 -9.714 -11.466 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.350 -8.612 -12.808 1.00 0.00 H new ATOM 0 HE ARG A 45 9.818 -8.913 -11.288 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.747 -10.524 -13.674 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.074 -11.456 -14.376 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.534 -10.119 -12.193 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.224 -11.226 -13.535 1.00 0.00 H new ATOM 630 N ILE A 46 4.820 -6.052 -7.425 1.00 0.00 N ATOM 631 CA ILE A 46 3.693 -6.100 -6.509 1.00 0.00 C ATOM 632 C ILE A 46 2.392 -5.961 -7.301 1.00 0.00 C ATOM 633 O ILE A 46 2.381 -5.387 -8.389 1.00 0.00 O ATOM 634 CB ILE A 46 3.855 -5.053 -5.405 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.272 -5.081 -4.827 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.791 -5.231 -4.320 1.00 0.00 C ATOM 637 CD1 ILE A 46 5.975 -3.737 -5.034 1.00 0.00 C ATOM 0 H ILE A 46 4.985 -5.140 -7.851 1.00 0.00 H new ATOM 0 HA ILE A 46 3.656 -7.063 -6.000 1.00 0.00 H new ATOM 0 HB ILE A 46 3.705 -4.067 -5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.230 -5.314 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.848 -5.874 -5.304 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.929 -4.474 -3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.800 -5.123 -4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.885 -6.223 -3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.980 -3.784 -4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.037 -3.519 -6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.410 -2.950 -4.535 1.00 0.00 H new ATOM 649 N TYR A 47 1.325 -6.497 -6.725 1.00 0.00 N ATOM 650 CA TYR A 47 0.022 -6.440 -7.363 1.00 0.00 C ATOM 651 C TYR A 47 -0.975 -5.658 -6.506 1.00 0.00 C ATOM 652 O TYR A 47 -1.200 -5.996 -5.345 1.00 0.00 O ATOM 653 CB TYR A 47 -0.453 -7.889 -7.482 1.00 0.00 C ATOM 654 CG TYR A 47 -1.859 -8.037 -8.067 1.00 0.00 C ATOM 655 CD1 TYR A 47 -2.955 -7.607 -7.347 1.00 0.00 C ATOM 656 CD2 TYR A 47 -2.032 -8.601 -9.315 1.00 0.00 C ATOM 657 CE1 TYR A 47 -4.279 -7.746 -7.897 1.00 0.00 C ATOM 658 CE2 TYR A 47 -3.355 -8.740 -9.865 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.413 -8.306 -9.129 1.00 0.00 C ATOM 660 OH TYR A 47 -5.663 -8.438 -9.649 1.00 0.00 O ATOM 0 H TYR A 47 1.337 -6.973 -5.823 1.00 0.00 H new ATOM 0 HA TYR A 47 0.090 -5.941 -8.330 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.249 -8.441 -8.107 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.431 -8.350 -6.495 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.820 -7.166 -6.370 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.175 -8.938 -9.879 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.145 -7.413 -7.344 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.504 -9.179 -10.840 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.620 -8.368 -10.626 1.00 0.00 H new ATOM 670 N LEU A 48 -1.547 -4.627 -7.111 1.00 0.00 N ATOM 671 CA LEU A 48 -2.514 -3.794 -6.417 1.00 0.00 C ATOM 672 C LEU A 48 -3.917 -4.370 -6.622 1.00 0.00 C ATOM 673 O LEU A 48 -4.317 -4.651 -7.751 1.00 0.00 O ATOM 674 CB LEU A 48 -2.379 -2.335 -6.857 1.00 0.00 C ATOM 675 CG LEU A 48 -1.092 -1.623 -6.433 1.00 0.00 C ATOM 676 CD1 LEU A 48 -1.024 -0.215 -7.027 1.00 0.00 C ATOM 677 CD2 LEU A 48 -0.949 -1.611 -4.910 1.00 0.00 C ATOM 0 H LEU A 48 -1.359 -4.350 -8.074 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.320 -3.799 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.451 -2.296 -7.944 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.227 -1.777 -6.461 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.245 -2.181 -6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.100 0.269 -6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.047 -0.278 -8.115 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.877 0.368 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.027 -1.099 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.798 -1.090 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.920 -2.636 -4.539 1.00 0.00 H new ATOM 689 N CYS A 49 -4.625 -4.529 -5.513 1.00 0.00 N ATOM 690 CA CYS A 49 -5.974 -5.067 -5.557 1.00 0.00 C ATOM 691 C CYS A 49 -6.865 -4.203 -4.663 1.00 0.00 C ATOM 692 O CYS A 49 -6.454 -3.798 -3.577 1.00 0.00 O ATOM 693 CB CYS A 49 -6.009 -6.540 -5.146 1.00 0.00 C ATOM 694 SG CYS A 49 -7.378 -7.398 -6.006 1.00 0.00 S ATOM 0 H CYS A 49 -4.290 -4.295 -4.579 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.348 -5.035 -6.580 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.060 -7.017 -5.390 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.139 -6.622 -4.067 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.271 -8.680 -5.821 1.00 0.00 H new ATOM 700 N GLY A 50 -8.069 -3.946 -5.153 1.00 0.00 N ATOM 701 CA GLY A 50 -9.021 -3.137 -4.412 1.00 0.00 C ATOM 702 C GLY A 50 -8.937 -1.668 -4.830 1.00 0.00 C ATOM 703 O GLY A 50 -9.858 -1.142 -5.453 1.00 0.00 O ATOM 0 H GLY A 50 -8.407 -4.284 -6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.031 -3.510 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.825 -3.226 -3.343 1.00 0.00 H new ATOM 707 N PHE A 51 -7.822 -1.047 -4.472 1.00 0.00 N ATOM 708 CA PHE A 51 -7.605 0.351 -4.803 1.00 0.00 C ATOM 709 C PHE A 51 -8.161 0.679 -6.190 1.00 0.00 C ATOM 710 O PHE A 51 -8.267 -0.200 -7.044 1.00 0.00 O ATOM 711 CB PHE A 51 -6.093 0.581 -4.805 1.00 0.00 C ATOM 712 CG PHE A 51 -5.380 0.046 -3.562 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.696 0.537 -2.333 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.431 -0.921 -3.684 1.00 0.00 C ATOM 715 CE1 PHE A 51 -5.034 0.040 -1.179 1.00 0.00 C ATOM 716 CE2 PHE A 51 -3.770 -1.417 -2.530 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.085 -0.926 -1.301 1.00 0.00 C ATOM 0 H PHE A 51 -7.060 -1.487 -3.956 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.112 0.988 -4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.665 0.107 -5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.899 1.650 -4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.450 1.304 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.180 -1.311 -4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.285 0.430 -0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.017 -2.185 -2.628 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.582 -1.303 -0.423 1.00 0.00 H new ATOM 727 N SER A 52 -8.502 1.946 -6.372 1.00 0.00 N ATOM 728 CA SER A 52 -9.044 2.401 -7.640 1.00 0.00 C ATOM 729 C SER A 52 -8.734 3.886 -7.840 1.00 0.00 C ATOM 730 O SER A 52 -7.939 4.247 -8.707 1.00 0.00 O ATOM 731 CB SER A 52 -10.553 2.160 -7.712 1.00 0.00 C ATOM 732 OG SER A 52 -11.058 2.325 -9.035 1.00 0.00 O ATOM 0 H SER A 52 -8.413 2.672 -5.661 1.00 0.00 H new ATOM 0 HA SER A 52 -8.573 1.828 -8.438 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.776 1.152 -7.362 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.063 2.851 -7.041 1.00 0.00 H new ATOM 0 HG SER A 52 -12.024 2.161 -9.039 1.00 0.00 H new ATOM 738 N GLY A 53 -9.377 4.707 -7.024 1.00 0.00 N ATOM 739 CA GLY A 53 -9.180 6.145 -7.100 1.00 0.00 C ATOM 740 C GLY A 53 -7.801 6.538 -6.566 1.00 0.00 C ATOM 741 O GLY A 53 -6.831 5.802 -6.740 1.00 0.00 O ATOM 0 H GLY A 53 -10.035 4.404 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.281 6.476 -8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.955 6.653 -6.526 1.00 0.00 H new ATOM 745 N ARG A 54 -7.758 7.697 -5.926 1.00 0.00 N ATOM 746 CA ARG A 54 -6.514 8.197 -5.365 1.00 0.00 C ATOM 747 C ARG A 54 -5.769 7.074 -4.641 1.00 0.00 C ATOM 748 O ARG A 54 -4.560 6.920 -4.805 1.00 0.00 O ATOM 749 CB ARG A 54 -6.773 9.343 -4.384 1.00 0.00 C ATOM 750 CG ARG A 54 -7.149 10.626 -5.128 1.00 0.00 C ATOM 751 CD ARG A 54 -7.497 11.746 -4.146 1.00 0.00 C ATOM 752 NE ARG A 54 -8.737 12.430 -4.577 1.00 0.00 N ATOM 753 CZ ARG A 54 -9.105 13.650 -4.163 1.00 0.00 C ATOM 754 NH1 ARG A 54 -8.330 14.328 -3.305 1.00 0.00 N ATOM 755 NH2 ARG A 54 -10.247 14.192 -4.607 1.00 0.00 N ATOM 0 H ARG A 54 -8.565 8.305 -5.783 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.905 8.570 -6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.575 9.067 -3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.883 9.517 -3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.320 10.939 -5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.999 10.435 -5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.628 11.335 -3.145 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.677 12.462 -4.093 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.350 11.942 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.460 13.915 -2.968 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.610 15.257 -2.990 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.836 13.676 -5.260 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.527 15.121 -4.292 1.00 0.00 H new ATOM 769 N LYS A 55 -6.522 6.317 -3.856 1.00 0.00 N ATOM 770 CA LYS A 55 -5.948 5.213 -3.106 1.00 0.00 C ATOM 771 C LYS A 55 -4.973 4.447 -4.002 1.00 0.00 C ATOM 772 O LYS A 55 -3.850 4.153 -3.594 1.00 0.00 O ATOM 773 CB LYS A 55 -7.053 4.338 -2.510 1.00 0.00 C ATOM 774 CG LYS A 55 -7.852 5.107 -1.455 1.00 0.00 C ATOM 775 CD LYS A 55 -8.230 4.198 -0.284 1.00 0.00 C ATOM 776 CE LYS A 55 -7.851 4.839 1.052 1.00 0.00 C ATOM 777 NZ LYS A 55 -9.033 4.928 1.938 1.00 0.00 N ATOM 0 H LYS A 55 -7.525 6.447 -3.723 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.376 5.586 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.721 4.000 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.614 3.447 -2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.264 5.950 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.755 5.519 -1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.301 3.999 -0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.725 3.238 -0.387 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.070 4.252 1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.441 5.835 0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.758 5.365 2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.766 5.507 1.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.407 3.974 2.115 1.00 0.00 H new ATOM 791 N LEU A 56 -5.437 4.144 -5.205 1.00 0.00 N ATOM 792 CA LEU A 56 -4.620 3.418 -6.162 1.00 0.00 C ATOM 793 C LEU A 56 -3.515 4.338 -6.685 1.00 0.00 C ATOM 794 O LEU A 56 -2.332 4.076 -6.473 1.00 0.00 O ATOM 795 CB LEU A 56 -5.493 2.817 -7.265 1.00 0.00 C ATOM 796 CG LEU A 56 -4.747 2.142 -8.418 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.794 1.065 -7.898 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.727 1.588 -9.455 1.00 0.00 C ATOM 0 H LEU A 56 -6.369 4.388 -5.539 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.129 2.573 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.162 2.085 -6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.119 3.608 -7.677 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.139 2.895 -8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.276 0.601 -8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.064 1.518 -7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.361 0.307 -7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.171 1.114 -10.264 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.379 0.853 -8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.329 2.402 -9.858 1.00 0.00 H new ATOM 810 N ASP A 57 -3.940 5.397 -7.358 1.00 0.00 N ATOM 811 CA ASP A 57 -3.001 6.357 -7.913 1.00 0.00 C ATOM 812 C ASP A 57 -1.808 6.502 -6.967 1.00 0.00 C ATOM 813 O ASP A 57 -0.664 6.581 -7.413 1.00 0.00 O ATOM 814 CB ASP A 57 -3.650 7.734 -8.070 1.00 0.00 C ATOM 815 CG ASP A 57 -3.642 8.294 -9.494 1.00 0.00 C ATOM 816 OD1 ASP A 57 -2.526 8.473 -10.027 1.00 0.00 O ATOM 817 OD2 ASP A 57 -4.752 8.530 -10.017 1.00 0.00 O ATOM 0 H ASP A 57 -4.922 5.611 -7.532 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.685 5.993 -8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.682 7.674 -7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.136 8.438 -7.416 1.00 0.00 H new ATOM 822 N LYS A 58 -2.115 6.532 -5.679 1.00 0.00 N ATOM 823 CA LYS A 58 -1.082 6.666 -4.666 1.00 0.00 C ATOM 824 C LYS A 58 -0.051 5.549 -4.844 1.00 0.00 C ATOM 825 O LYS A 58 1.083 5.805 -5.245 1.00 0.00 O ATOM 826 CB LYS A 58 -1.703 6.712 -3.269 1.00 0.00 C ATOM 827 CG LYS A 58 -2.418 8.044 -3.030 1.00 0.00 C ATOM 828 CD LYS A 58 -1.415 9.157 -2.722 1.00 0.00 C ATOM 829 CE LYS A 58 -2.107 10.520 -2.671 1.00 0.00 C ATOM 830 NZ LYS A 58 -1.336 11.523 -3.440 1.00 0.00 N ATOM 0 H LYS A 58 -3.065 6.466 -5.313 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.553 7.611 -4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.410 5.890 -3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.926 6.572 -2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.003 8.310 -3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.118 7.941 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.926 8.957 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.635 9.169 -3.483 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.115 10.438 -3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.206 10.845 -1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.992 12.167 -3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.732 12.068 -2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.742 11.039 -4.143 1.00 0.00 H new ATOM 844 N LEU A 59 -0.483 4.335 -4.537 1.00 0.00 N ATOM 845 CA LEU A 59 0.388 3.178 -4.659 1.00 0.00 C ATOM 846 C LEU A 59 1.191 3.284 -5.957 1.00 0.00 C ATOM 847 O LEU A 59 2.408 3.105 -5.954 1.00 0.00 O ATOM 848 CB LEU A 59 -0.420 1.885 -4.538 1.00 0.00 C ATOM 849 CG LEU A 59 -0.538 1.296 -3.131 1.00 0.00 C ATOM 850 CD1 LEU A 59 -0.047 2.291 -2.078 1.00 0.00 C ATOM 851 CD2 LEU A 59 -1.967 0.825 -2.852 1.00 0.00 C ATOM 0 H LEU A 59 -1.424 4.127 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 59 1.108 3.154 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.425 2.071 -4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.032 1.135 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 59 0.107 0.420 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.142 1.848 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.998 2.536 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.647 3.199 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.024 0.411 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.651 1.669 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.245 0.059 -3.576 1.00 0.00 H new ATOM 863 N ARG A 60 0.477 3.574 -7.035 1.00 0.00 N ATOM 864 CA ARG A 60 1.108 3.705 -8.337 1.00 0.00 C ATOM 865 C ARG A 60 2.336 4.612 -8.243 1.00 0.00 C ATOM 866 O ARG A 60 3.372 4.325 -8.841 1.00 0.00 O ATOM 867 CB ARG A 60 0.133 4.283 -9.365 1.00 0.00 C ATOM 868 CG ARG A 60 -1.170 3.482 -9.396 1.00 0.00 C ATOM 869 CD ARG A 60 -1.924 3.711 -10.707 1.00 0.00 C ATOM 870 NE ARG A 60 -1.938 5.154 -11.037 1.00 0.00 N ATOM 871 CZ ARG A 60 -2.745 5.707 -11.953 1.00 0.00 C ATOM 872 NH1 ARG A 60 -3.607 4.942 -12.636 1.00 0.00 N ATOM 873 NH2 ARG A 60 -2.689 7.025 -12.187 1.00 0.00 N ATOM 0 H ARG A 60 -0.532 3.722 -7.033 1.00 0.00 H new ATOM 0 HA ARG A 60 1.412 2.709 -8.660 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.082 5.324 -9.123 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.593 4.274 -10.353 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.951 2.421 -9.279 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.800 3.772 -8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.449 3.150 -11.512 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.945 3.340 -10.619 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.293 5.765 -10.536 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.649 3.938 -12.459 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.221 5.363 -13.333 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.032 7.608 -11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.303 7.446 -12.884 1.00 0.00 H new ATOM 887 N ARG A 61 2.180 5.689 -7.487 1.00 0.00 N ATOM 888 CA ARG A 61 3.264 6.640 -7.307 1.00 0.00 C ATOM 889 C ARG A 61 4.307 6.079 -6.339 1.00 0.00 C ATOM 890 O ARG A 61 5.503 6.316 -6.503 1.00 0.00 O ATOM 891 CB ARG A 61 2.742 7.974 -6.767 1.00 0.00 C ATOM 892 CG ARG A 61 1.986 8.746 -7.850 1.00 0.00 C ATOM 893 CD ARG A 61 1.735 10.192 -7.417 1.00 0.00 C ATOM 894 NE ARG A 61 1.344 11.009 -8.588 1.00 0.00 N ATOM 895 CZ ARG A 61 0.916 12.277 -8.510 1.00 0.00 C ATOM 896 NH1 ARG A 61 0.820 12.879 -7.317 1.00 0.00 N ATOM 897 NH2 ARG A 61 0.583 12.941 -9.624 1.00 0.00 N ATOM 0 H ARG A 61 1.320 5.924 -6.992 1.00 0.00 H new ATOM 0 HA ARG A 61 3.722 6.809 -8.281 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.084 7.794 -5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.576 8.574 -6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.559 8.734 -8.777 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.036 8.254 -8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.949 10.223 -6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.634 10.605 -6.959 1.00 0.00 H new ATOM 0 HE ARG A 61 1.404 10.580 -9.512 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.073 12.373 -6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.494 13.844 -7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.655 12.482 -10.532 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.257 13.906 -9.565 1.00 0.00 H new ATOM 911 N LEU A 62 3.817 5.345 -5.351 1.00 0.00 N ATOM 912 CA LEU A 62 4.692 4.748 -4.356 1.00 0.00 C ATOM 913 C LEU A 62 5.551 3.669 -5.021 1.00 0.00 C ATOM 914 O LEU A 62 6.760 3.838 -5.170 1.00 0.00 O ATOM 915 CB LEU A 62 3.880 4.239 -3.164 1.00 0.00 C ATOM 916 CG LEU A 62 3.552 5.274 -2.085 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.186 5.914 -2.337 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.649 4.659 -0.688 1.00 0.00 C ATOM 0 H LEU A 62 2.825 5.150 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 62 5.374 5.495 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.944 3.824 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.429 3.420 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 62 4.295 6.070 -2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.977 6.645 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.190 6.410 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.416 5.143 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.411 5.415 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.944 3.832 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.661 4.290 -0.522 1.00 0.00 H new ATOM 930 N ILE A 63 4.891 2.585 -5.402 1.00 0.00 N ATOM 931 CA ILE A 63 5.579 1.479 -6.047 1.00 0.00 C ATOM 932 C ILE A 63 6.664 2.030 -6.973 1.00 0.00 C ATOM 933 O ILE A 63 7.835 1.677 -6.842 1.00 0.00 O ATOM 934 CB ILE A 63 4.576 0.563 -6.751 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.769 -0.250 -5.736 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.277 -0.332 -7.775 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.364 -0.546 -6.264 1.00 0.00 C ATOM 0 H ILE A 63 3.888 2.449 -5.277 1.00 0.00 H new ATOM 0 HA ILE A 63 6.079 0.856 -5.305 1.00 0.00 H new ATOM 0 HB ILE A 63 3.869 1.187 -7.298 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.285 -1.186 -5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.700 0.299 -4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.542 -0.973 -8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.769 0.288 -8.524 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.020 -0.950 -7.270 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.812 -1.125 -5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.842 0.392 -6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.436 -1.116 -7.190 1.00 0.00 H new ATOM 949 N ASN A 64 6.237 2.886 -7.890 1.00 0.00 N ATOM 950 CA ASN A 64 7.159 3.489 -8.838 1.00 0.00 C ATOM 951 C ASN A 64 8.221 4.283 -8.075 1.00 0.00 C ATOM 952 O ASN A 64 9.414 4.153 -8.349 1.00 0.00 O ATOM 953 CB ASN A 64 6.430 4.454 -9.776 1.00 0.00 C ATOM 954 CG ASN A 64 6.932 4.304 -11.213 1.00 0.00 C ATOM 955 OD1 ASN A 64 7.650 5.139 -11.738 1.00 0.00 O ATOM 956 ND2 ASN A 64 6.513 3.197 -11.819 1.00 0.00 N ATOM 0 H ASN A 64 5.265 3.176 -7.997 1.00 0.00 H new ATOM 0 HA ASN A 64 7.612 2.689 -9.424 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.358 4.262 -9.740 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.582 5.479 -9.439 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.792 3.006 -12.781 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.913 2.539 -11.321 1.00 0.00 H new ATOM 963 N SER A 65 7.751 5.088 -7.134 1.00 0.00 N ATOM 964 CA SER A 65 8.646 5.903 -6.330 1.00 0.00 C ATOM 965 C SER A 65 9.698 5.017 -5.658 1.00 0.00 C ATOM 966 O SER A 65 10.815 5.462 -5.399 1.00 0.00 O ATOM 967 CB SER A 65 7.871 6.698 -5.278 1.00 0.00 C ATOM 968 OG SER A 65 8.725 7.204 -4.255 1.00 0.00 O ATOM 0 H SER A 65 6.762 5.194 -6.910 1.00 0.00 H new ATOM 0 HA SER A 65 9.145 6.614 -6.988 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.352 7.527 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.108 6.060 -4.831 1.00 0.00 H new ATOM 0 HG SER A 65 8.193 7.707 -3.604 1.00 0.00 H new ATOM 974 N GLY A 66 9.303 3.780 -5.395 1.00 0.00 N ATOM 975 CA GLY A 66 10.197 2.829 -4.758 1.00 0.00 C ATOM 976 C GLY A 66 10.964 2.014 -5.801 1.00 0.00 C ATOM 977 O GLY A 66 11.965 1.375 -5.481 1.00 0.00 O ATOM 0 H GLY A 66 8.376 3.415 -5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.901 3.359 -4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.624 2.159 -4.117 1.00 0.00 H new ATOM 981 N GLY A 67 10.466 2.064 -7.028 1.00 0.00 N ATOM 982 CA GLY A 67 11.092 1.339 -8.120 1.00 0.00 C ATOM 983 C GLY A 67 10.314 0.063 -8.448 1.00 0.00 C ATOM 984 O GLY A 67 10.495 -0.522 -9.515 1.00 0.00 O ATOM 0 H GLY A 67 9.636 2.596 -7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.142 1.976 -9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.118 1.085 -7.852 1.00 0.00 H new ATOM 988 N GLY A 68 9.465 -0.332 -7.511 1.00 0.00 N ATOM 989 CA GLY A 68 8.659 -1.528 -7.686 1.00 0.00 C ATOM 990 C GLY A 68 7.852 -1.459 -8.985 1.00 0.00 C ATOM 991 O GLY A 68 7.659 -0.381 -9.544 1.00 0.00 O ATOM 0 H GLY A 68 9.318 0.156 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.304 -2.407 -7.700 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.983 -1.643 -6.839 1.00 0.00 H new ATOM 995 N VAL A 69 7.403 -2.625 -9.427 1.00 0.00 N ATOM 996 CA VAL A 69 6.621 -2.711 -10.649 1.00 0.00 C ATOM 997 C VAL A 69 5.182 -3.097 -10.302 1.00 0.00 C ATOM 998 O VAL A 69 4.936 -4.184 -9.782 1.00 0.00 O ATOM 999 CB VAL A 69 7.283 -3.684 -11.626 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.280 -4.182 -12.668 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.501 -3.045 -12.297 1.00 0.00 C ATOM 0 H VAL A 69 7.566 -3.518 -8.961 1.00 0.00 H new ATOM 0 HA VAL A 69 6.586 -1.743 -11.149 1.00 0.00 H new ATOM 0 HB VAL A 69 7.630 -4.546 -11.056 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.776 -4.872 -13.350 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.459 -4.695 -12.167 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.889 -3.334 -13.231 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.953 -3.758 -12.986 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.189 -2.157 -12.846 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.230 -2.764 -11.537 1.00 0.00 H new ATOM 1011 N ARG A 70 4.269 -2.186 -10.606 1.00 0.00 N ATOM 1012 CA ARG A 70 2.861 -2.418 -10.333 1.00 0.00 C ATOM 1013 C ARG A 70 2.247 -3.297 -11.425 1.00 0.00 C ATOM 1014 O ARG A 70 1.938 -2.815 -12.513 1.00 0.00 O ATOM 1015 CB ARG A 70 2.090 -1.098 -10.256 1.00 0.00 C ATOM 1016 CG ARG A 70 0.613 -1.344 -9.940 1.00 0.00 C ATOM 1017 CD ARG A 70 -0.277 -0.329 -10.661 1.00 0.00 C ATOM 1018 NE ARG A 70 -1.285 -1.035 -11.483 1.00 0.00 N ATOM 1019 CZ ARG A 70 -1.925 -0.484 -12.523 1.00 0.00 C ATOM 1020 NH1 ARG A 70 -1.666 0.783 -12.875 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -2.825 -1.200 -13.212 1.00 0.00 N ATOM 0 H ARG A 70 4.477 -1.286 -11.039 1.00 0.00 H new ATOM 0 HA ARG A 70 2.788 -2.924 -9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.529 -0.461 -9.488 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.179 -0.565 -11.202 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.336 -2.354 -10.241 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.451 -1.276 -8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.774 0.313 -9.934 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.332 0.317 -11.293 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.506 -2.001 -11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.981 1.328 -12.351 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.153 1.202 -13.667 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.022 -2.164 -12.944 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.312 -0.780 -14.004 1.00 0.00 H new ATOM 1035 N PHE A 71 2.088 -4.570 -11.095 1.00 0.00 N ATOM 1036 CA PHE A 71 1.516 -5.520 -12.034 1.00 0.00 C ATOM 1037 C PHE A 71 -0.002 -5.352 -12.128 1.00 0.00 C ATOM 1038 O PHE A 71 -0.705 -5.462 -11.125 1.00 0.00 O ATOM 1039 CB PHE A 71 1.830 -6.920 -11.501 1.00 0.00 C ATOM 1040 CG PHE A 71 2.996 -7.609 -12.213 1.00 0.00 C ATOM 1041 CD1 PHE A 71 4.039 -6.873 -12.680 1.00 0.00 C ATOM 1042 CD2 PHE A 71 2.987 -8.959 -12.380 1.00 0.00 C ATOM 1043 CE1 PHE A 71 5.121 -7.513 -13.341 1.00 0.00 C ATOM 1044 CE2 PHE A 71 4.069 -9.600 -13.041 1.00 0.00 C ATOM 1045 CZ PHE A 71 5.113 -8.863 -13.507 1.00 0.00 C ATOM 0 H PHE A 71 2.345 -4.966 -10.191 1.00 0.00 H new ATOM 0 HA PHE A 71 1.935 -5.359 -13.027 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.057 -6.850 -10.437 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.940 -7.542 -11.597 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.045 -5.801 -12.548 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.158 -9.543 -12.010 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.950 -6.928 -13.712 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.063 -10.672 -13.173 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.936 -9.350 -14.009 1.00 0.00 H new ATOM 1055 N ASN A 72 -0.462 -5.089 -13.342 1.00 0.00 N ATOM 1056 CA ASN A 72 -1.883 -4.905 -13.580 1.00 0.00 C ATOM 1057 C ASN A 72 -2.583 -6.265 -13.540 1.00 0.00 C ATOM 1058 O ASN A 72 -3.803 -6.335 -13.395 1.00 0.00 O ATOM 1059 CB ASN A 72 -2.135 -4.284 -14.956 1.00 0.00 C ATOM 1060 CG ASN A 72 -1.867 -5.297 -16.071 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -0.915 -6.058 -16.038 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -2.758 -5.262 -17.059 1.00 0.00 N ATOM 0 H ASN A 72 0.125 -4.999 -14.172 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.271 -4.241 -12.808 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.165 -3.934 -15.018 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.493 -3.413 -15.089 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.666 -5.898 -17.851 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.533 -4.599 -17.024 1.00 0.00 H new ATOM 1069 N GLN A 73 -1.781 -7.311 -13.669 1.00 0.00 N ATOM 1070 CA GLN A 73 -2.308 -8.665 -13.649 1.00 0.00 C ATOM 1071 C GLN A 73 -1.522 -9.526 -12.659 1.00 0.00 C ATOM 1072 O GLN A 73 -0.351 -9.261 -12.394 1.00 0.00 O ATOM 1073 CB GLN A 73 -2.288 -9.283 -15.049 1.00 0.00 C ATOM 1074 CG GLN A 73 -3.243 -8.543 -15.988 1.00 0.00 C ATOM 1075 CD GLN A 73 -3.090 -9.040 -17.427 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -2.009 -9.062 -17.993 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -4.230 -9.436 -17.987 1.00 0.00 N ATOM 0 H GLN A 73 -0.770 -7.249 -13.788 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.347 -8.624 -13.321 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.276 -9.247 -15.452 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.571 -10.334 -14.991 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.271 -8.689 -15.656 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.043 -7.472 -15.946 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.101 -9.392 -17.458 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.233 -9.784 -18.946 1.00 0.00 H new ATOM 1086 N LEU A 74 -2.198 -10.540 -12.138 1.00 0.00 N ATOM 1087 CA LEU A 74 -1.578 -11.441 -11.182 1.00 0.00 C ATOM 1088 C LEU A 74 -1.108 -12.703 -11.909 1.00 0.00 C ATOM 1089 O LEU A 74 -1.554 -12.987 -13.020 1.00 0.00 O ATOM 1090 CB LEU A 74 -2.527 -11.721 -10.015 1.00 0.00 C ATOM 1091 CG LEU A 74 -1.934 -11.553 -8.614 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -3.009 -11.128 -7.612 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -1.207 -12.823 -8.170 1.00 0.00 C ATOM 0 H LEU A 74 -3.169 -10.757 -12.360 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.695 -10.979 -10.740 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.388 -11.059 -10.106 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.898 -12.741 -10.111 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.193 -10.754 -8.650 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.562 -11.016 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.442 -10.178 -7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.790 -11.887 -7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.795 -12.676 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.908 -13.657 -8.154 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.398 -13.042 -8.867 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.215 -13.428 -11.252 1.00 0.00 N ATOM 1106 CA ASN A 75 0.320 -14.653 -11.822 1.00 0.00 C ATOM 1107 C ASN A 75 1.669 -14.967 -11.171 1.00 0.00 C ATOM 1108 O ASN A 75 2.102 -14.261 -10.261 1.00 0.00 O ATOM 1109 CB ASN A 75 0.544 -14.508 -13.328 1.00 0.00 C ATOM 1110 CG ASN A 75 1.167 -13.151 -13.661 1.00 0.00 C ATOM 1111 OD1 ASN A 75 0.487 -12.181 -13.953 1.00 0.00 O ATOM 1112 ND2 ASN A 75 2.496 -13.137 -13.603 1.00 0.00 N ATOM 0 H ASN A 75 0.152 -13.191 -10.330 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.399 -15.452 -11.640 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.195 -15.308 -13.681 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.405 -14.615 -13.853 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.006 -12.278 -13.810 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.004 -13.985 -13.352 1.00 0.00 H new ATOM 1119 N GLU A 76 2.295 -16.026 -11.662 1.00 0.00 N ATOM 1120 CA GLU A 76 3.585 -16.442 -11.140 1.00 0.00 C ATOM 1121 C GLU A 76 4.640 -15.368 -11.414 1.00 0.00 C ATOM 1122 O GLU A 76 5.253 -15.354 -12.480 1.00 0.00 O ATOM 1123 CB GLU A 76 4.007 -17.789 -11.730 1.00 0.00 C ATOM 1124 CG GLU A 76 3.384 -18.949 -10.950 1.00 0.00 C ATOM 1125 CD GLU A 76 4.216 -20.224 -11.106 1.00 0.00 C ATOM 1126 OE1 GLU A 76 5.307 -20.268 -10.497 1.00 0.00 O ATOM 1127 OE2 GLU A 76 3.742 -21.126 -11.830 1.00 0.00 O ATOM 0 H GLU A 76 1.932 -16.609 -12.416 1.00 0.00 H new ATOM 0 HA GLU A 76 3.495 -16.568 -10.061 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.702 -17.844 -12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.093 -17.875 -11.710 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.311 -18.685 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.369 -19.127 -11.305 1.00 0.00 H new ATOM 1134 N ASP A 77 4.819 -14.495 -10.434 1.00 0.00 N ATOM 1135 CA ASP A 77 5.789 -13.421 -10.556 1.00 0.00 C ATOM 1136 C ASP A 77 5.538 -12.385 -9.458 1.00 0.00 C ATOM 1137 O ASP A 77 6.478 -11.785 -8.940 1.00 0.00 O ATOM 1138 CB ASP A 77 5.662 -12.716 -11.908 1.00 0.00 C ATOM 1139 CG ASP A 77 6.645 -13.191 -12.980 1.00 0.00 C ATOM 1140 OD1 ASP A 77 7.567 -13.950 -12.608 1.00 0.00 O ATOM 1141 OD2 ASP A 77 6.453 -12.785 -14.147 1.00 0.00 O ATOM 0 H ASP A 77 4.308 -14.510 -9.551 1.00 0.00 H new ATOM 0 HA ASP A 77 6.785 -13.855 -10.467 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.647 -12.856 -12.280 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.802 -11.646 -11.757 1.00 0.00 H new ATOM 1146 N VAL A 78 4.265 -12.208 -9.136 1.00 0.00 N ATOM 1147 CA VAL A 78 3.879 -11.256 -8.109 1.00 0.00 C ATOM 1148 C VAL A 78 4.633 -11.573 -6.816 1.00 0.00 C ATOM 1149 O VAL A 78 4.436 -12.632 -6.221 1.00 0.00 O ATOM 1150 CB VAL A 78 2.359 -11.265 -7.932 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.948 -10.487 -6.680 1.00 0.00 C ATOM 1152 CG2 VAL A 78 1.659 -10.712 -9.175 1.00 0.00 C ATOM 0 H VAL A 78 3.488 -12.708 -9.568 1.00 0.00 H new ATOM 0 HA VAL A 78 4.153 -10.243 -8.405 1.00 0.00 H new ATOM 0 HB VAL A 78 2.043 -12.300 -7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.863 -10.509 -6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.405 -10.943 -5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.283 -9.454 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.580 -10.730 -9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.984 -9.686 -9.350 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.914 -11.326 -10.039 1.00 0.00 H new ATOM 1162 N THR A 79 5.481 -10.636 -6.418 1.00 0.00 N ATOM 1163 CA THR A 79 6.265 -10.802 -5.206 1.00 0.00 C ATOM 1164 C THR A 79 5.469 -10.335 -3.987 1.00 0.00 C ATOM 1165 O THR A 79 5.782 -10.705 -2.856 1.00 0.00 O ATOM 1166 CB THR A 79 7.587 -10.054 -5.392 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.202 -8.684 -5.472 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.235 -10.338 -6.749 1.00 0.00 C ATOM 0 H THR A 79 5.642 -9.759 -6.914 1.00 0.00 H new ATOM 0 HA THR A 79 6.492 -11.852 -5.023 1.00 0.00 H new ATOM 0 HB THR A 79 8.277 -10.332 -4.595 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.286 -8.621 -5.814 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.170 -9.783 -6.829 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.438 -11.405 -6.839 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.560 -10.029 -7.547 1.00 0.00 H new ATOM 1176 N HIS A 80 4.453 -9.527 -4.257 1.00 0.00 N ATOM 1177 CA HIS A 80 3.609 -9.005 -3.196 1.00 0.00 C ATOM 1178 C HIS A 80 2.233 -8.650 -3.762 1.00 0.00 C ATOM 1179 O HIS A 80 2.077 -8.497 -4.973 1.00 0.00 O ATOM 1180 CB HIS A 80 4.285 -7.824 -2.495 1.00 0.00 C ATOM 1181 CG HIS A 80 5.711 -8.093 -2.076 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.766 -8.108 -2.971 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.244 -8.356 -0.848 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.879 -8.370 -2.302 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.553 -8.524 -0.986 1.00 0.00 N ATOM 0 H HIS A 80 4.196 -9.221 -5.196 1.00 0.00 H new ATOM 0 HA HIS A 80 3.463 -9.770 -2.433 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.269 -6.962 -3.162 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.702 -7.556 -1.614 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.698 -7.945 -3.976 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.694 -8.417 0.079 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.870 -8.448 -2.724 1.00 0.00 H new ATOM 1193 N VAL A 81 1.271 -8.529 -2.860 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.087 -8.195 -3.255 1.00 0.00 C ATOM 1195 C VAL A 81 -0.681 -7.214 -2.242 1.00 0.00 C ATOM 1196 O VAL A 81 -1.190 -7.624 -1.200 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.917 -9.471 -3.408 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.410 -9.148 -3.496 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.458 -10.280 -4.623 1.00 0.00 C ATOM 0 H VAL A 81 1.405 -8.656 -1.857 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.091 -7.702 -4.227 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.759 -10.082 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.977 -10.073 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.725 -8.634 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.593 -8.507 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.064 -11.182 -4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.572 -9.678 -5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.589 -10.557 -4.501 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.597 -5.937 -2.584 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.120 -4.894 -1.717 1.00 0.00 C ATOM 1211 C ILE A 82 -2.640 -4.821 -1.875 1.00 0.00 C ATOM 1212 O ILE A 82 -3.140 -4.372 -2.905 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.409 -3.566 -1.987 1.00 0.00 C ATOM 1214 CG1 ILE A 82 1.109 -3.752 -2.006 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -0.844 -2.498 -0.983 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.733 -3.302 -0.684 1.00 0.00 C ATOM 0 H ILE A 82 -0.175 -5.600 -3.449 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.918 -5.130 -0.672 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.702 -3.215 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.348 -4.800 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.539 -3.180 -2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.324 -1.564 -1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.920 -2.341 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.599 -2.827 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.813 -3.445 -0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.512 -2.248 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.319 -3.892 0.133 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.333 -5.268 -0.838 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.786 -5.259 -0.848 1.00 0.00 C ATOM 1230 C VAL A 83 -5.288 -3.971 -0.193 1.00 0.00 C ATOM 1231 O VAL A 83 -4.841 -3.608 0.894 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.322 -6.522 -0.171 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.852 -6.524 -0.148 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.782 -7.781 -0.853 1.00 0.00 C ATOM 0 H VAL A 83 -2.915 -5.639 0.015 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.161 -5.271 -1.871 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.971 -6.524 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.207 -7.432 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.209 -5.654 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.231 -6.487 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.178 -8.664 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.089 -7.788 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.694 -7.788 -0.794 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.210 -3.315 -0.883 1.00 0.00 N ATOM 1245 CA GLY A 84 -6.777 -2.074 -0.382 1.00 0.00 C ATOM 1246 C GLY A 84 -8.072 -2.336 0.390 1.00 0.00 C ATOM 1247 O GLY A 84 -8.314 -1.726 1.430 1.00 0.00 O ATOM 0 H GLY A 84 -6.578 -3.619 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.056 -1.577 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.976 -1.399 -1.214 1.00 0.00 H new ATOM 1251 N ASP A 85 -8.871 -3.245 -0.150 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.136 -3.596 0.475 1.00 0.00 C ATOM 1253 C ASP A 85 -10.276 -5.119 0.514 1.00 0.00 C ATOM 1254 O ASP A 85 -10.628 -5.687 1.546 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.317 -3.032 -0.318 1.00 0.00 C ATOM 1256 CG ASP A 85 -10.947 -1.989 -1.374 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -10.402 -0.939 -0.969 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -11.219 -2.264 -2.563 1.00 0.00 O ATOM 0 H ASP A 85 -8.667 -3.749 -1.013 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.143 -3.176 1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.833 -3.857 -0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.024 -2.585 0.381 1.00 0.00 H new ATOM 1263 N TYR A 86 -9.993 -5.736 -0.624 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.083 -7.182 -0.733 1.00 0.00 C ATOM 1265 C TYR A 86 -9.101 -7.716 -1.778 1.00 0.00 C ATOM 1266 O TYR A 86 -8.411 -6.941 -2.440 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.511 -7.483 -1.192 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.455 -7.893 -0.060 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -12.944 -6.940 0.811 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -12.818 -9.216 0.090 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -13.832 -7.327 1.876 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -13.706 -9.602 1.156 1.00 0.00 C ATOM 1273 CZ TYR A 86 -14.170 -8.638 1.996 1.00 0.00 C ATOM 1274 OH TYR A 86 -15.009 -9.003 3.002 1.00 0.00 O ATOM 0 H TYR A 86 -9.701 -5.261 -1.478 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.842 -7.654 0.220 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.916 -6.601 -1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.483 -8.281 -1.934 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.660 -5.905 0.693 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -12.436 -9.962 -0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.221 -6.592 2.565 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.997 -10.634 1.286 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.163 -9.970 2.965 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.069 -9.035 -1.895 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.183 -9.681 -2.849 1.00 0.00 C ATOM 1286 C ASP A 87 -8.876 -10.917 -3.425 1.00 0.00 C ATOM 1287 O ASP A 87 -8.544 -12.045 -3.062 1.00 0.00 O ATOM 1288 CB ASP A 87 -6.887 -10.136 -2.176 1.00 0.00 C ATOM 1289 CG ASP A 87 -7.036 -10.583 -0.720 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -7.212 -9.686 0.134 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -6.971 -11.810 -0.493 1.00 0.00 O ATOM 0 H ASP A 87 -9.642 -9.675 -1.345 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.948 -8.961 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.466 -10.960 -2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.167 -9.318 -2.217 1.00 0.00 H new ATOM 1296 N ASP A 88 -9.826 -10.664 -4.314 1.00 0.00 N ATOM 1297 CA ASP A 88 -10.568 -11.743 -4.944 1.00 0.00 C ATOM 1298 C ASP A 88 -9.761 -12.291 -6.122 1.00 0.00 C ATOM 1299 O ASP A 88 -9.596 -13.502 -6.256 1.00 0.00 O ATOM 1300 CB ASP A 88 -11.911 -11.246 -5.481 1.00 0.00 C ATOM 1301 CG ASP A 88 -12.962 -10.939 -4.412 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -13.133 -11.799 -3.521 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -13.570 -9.851 -4.510 1.00 0.00 O ATOM 0 H ASP A 88 -10.099 -9.728 -4.613 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.742 -12.515 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.739 -10.345 -6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.314 -11.997 -6.160 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.279 -11.372 -6.946 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.493 -11.748 -8.109 1.00 0.00 C ATOM 1310 C GLU A 89 -7.584 -12.933 -7.775 1.00 0.00 C ATOM 1311 O GLU A 89 -7.406 -13.833 -8.593 1.00 0.00 O ATOM 1312 CB GLU A 89 -7.679 -10.561 -8.628 1.00 0.00 C ATOM 1313 CG GLU A 89 -7.868 -10.384 -10.136 1.00 0.00 C ATOM 1314 CD GLU A 89 -8.075 -8.911 -10.493 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -8.717 -8.214 -9.678 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -7.586 -8.515 -11.574 1.00 0.00 O ATOM 0 H GLU A 89 -9.418 -10.368 -6.831 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.176 -12.052 -8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.985 -9.652 -8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.623 -10.715 -8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.996 -10.771 -10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.727 -10.967 -10.469 1.00 0.00 H new ATOM 1323 N LEU A 90 -7.033 -12.893 -6.571 1.00 0.00 N ATOM 1324 CA LEU A 90 -6.146 -13.952 -6.118 1.00 0.00 C ATOM 1325 C LEU A 90 -6.792 -15.309 -6.404 1.00 0.00 C ATOM 1326 O LEU A 90 -6.190 -16.162 -7.054 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.773 -13.746 -4.649 1.00 0.00 C ATOM 1328 CG LEU A 90 -4.495 -12.946 -4.387 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.273 -13.658 -4.971 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -4.628 -11.514 -4.909 1.00 0.00 C ATOM 0 H LEU A 90 -7.183 -12.144 -5.895 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.206 -13.924 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.602 -13.242 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.668 -14.725 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.346 -12.883 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.378 -13.068 -4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.170 -14.641 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.399 -13.773 -6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.706 -10.967 -4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.814 -11.534 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.459 -11.019 -4.406 1.00 0.00 H new ATOM 1342 N LYS A 91 -8.009 -15.466 -5.905 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.743 -16.705 -6.099 1.00 0.00 C ATOM 1344 C LYS A 91 -8.481 -17.232 -7.512 1.00 0.00 C ATOM 1345 O LYS A 91 -8.036 -18.366 -7.682 1.00 0.00 O ATOM 1346 CB LYS A 91 -10.227 -16.504 -5.783 1.00 0.00 C ATOM 1347 CG LYS A 91 -10.527 -16.844 -4.322 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.967 -16.476 -3.958 1.00 0.00 C ATOM 1349 CE LYS A 91 -12.036 -15.843 -2.567 1.00 0.00 C ATOM 1350 NZ LYS A 91 -13.439 -15.766 -2.102 1.00 0.00 N ATOM 0 H LYS A 91 -8.505 -14.756 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.393 -17.468 -5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.509 -15.471 -5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.830 -17.133 -6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.366 -17.909 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.835 -16.309 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.367 -15.782 -4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.593 -17.368 -3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.445 -16.430 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.600 -14.844 -2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.468 -15.334 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.993 -15.187 -2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.843 -16.723 -2.058 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.769 -16.384 -8.488 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.571 -16.750 -9.880 1.00 0.00 C ATOM 1366 C GLN A 92 -7.165 -17.319 -10.084 1.00 0.00 C ATOM 1367 O GLN A 92 -7.007 -18.419 -10.611 1.00 0.00 O ATOM 1368 CB GLN A 92 -8.817 -15.555 -10.802 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.200 -14.948 -10.556 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.122 -15.180 -11.755 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -11.473 -14.269 -12.486 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -11.493 -16.447 -11.915 1.00 0.00 N ATOM 0 H GLN A 92 -9.138 -15.444 -8.342 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.296 -17.522 -10.139 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.049 -14.799 -10.636 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.734 -15.870 -11.842 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.641 -15.390 -9.663 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.104 -13.879 -10.368 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.162 -17.161 -11.266 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.108 -16.705 -12.687 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.180 -16.545 -9.655 1.00 0.00 N ATOM 1382 CA PHE A 93 -4.793 -16.958 -9.783 1.00 0.00 C ATOM 1383 C PHE A 93 -4.512 -18.205 -8.943 1.00 0.00 C ATOM 1384 O PHE A 93 -3.687 -19.038 -9.318 1.00 0.00 O ATOM 1385 CB PHE A 93 -3.932 -15.804 -9.265 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.452 -16.156 -9.101 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -1.780 -16.759 -10.118 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -1.809 -15.865 -7.938 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.407 -17.086 -9.966 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.435 -16.192 -7.786 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.237 -16.795 -8.803 1.00 0.00 C ATOM 0 H PHE A 93 -6.315 -15.633 -9.218 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.571 -17.196 -10.823 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.021 -14.962 -9.951 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.325 -15.474 -8.303 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.291 -16.989 -11.041 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.343 -15.386 -7.131 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.126 -17.566 -10.773 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.076 -15.962 -6.863 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.282 -17.043 -8.688 1.00 0.00 H new ATOM 1401 N TRP A 94 -5.214 -18.296 -7.823 1.00 0.00 N ATOM 1402 CA TRP A 94 -5.051 -19.428 -6.927 1.00 0.00 C ATOM 1403 C TRP A 94 -5.737 -20.638 -7.564 1.00 0.00 C ATOM 1404 O TRP A 94 -5.563 -21.766 -7.107 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.585 -19.103 -5.531 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.715 -18.121 -4.744 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -3.385 -17.967 -4.803 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -5.171 -17.157 -3.771 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.952 -16.978 -3.943 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -4.072 -16.470 -3.296 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -6.468 -16.875 -3.309 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -4.160 -15.457 -2.334 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -6.538 -15.860 -2.347 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -5.442 -15.159 -1.858 1.00 0.00 C ATOM 0 H TRP A 94 -5.897 -17.604 -7.516 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.995 -19.661 -6.787 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.589 -18.688 -5.625 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.674 -20.029 -4.963 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.734 -18.544 -5.443 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.987 -16.676 -3.807 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -7.341 -17.400 -3.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -3.285 -14.933 -1.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.512 -15.604 -1.958 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -5.579 -14.388 -1.114 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.504 -20.361 -8.609 1.00 0.00 N ATOM 1426 CA ASN A 95 -7.218 -21.413 -9.312 1.00 0.00 C ATOM 1427 C ASN A 95 -6.467 -21.758 -10.600 1.00 0.00 C ATOM 1428 O ASN A 95 -6.892 -22.632 -11.355 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.629 -20.961 -9.694 1.00 0.00 C ATOM 1430 CG ASN A 95 -9.653 -22.061 -9.408 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -9.416 -22.981 -8.642 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -10.801 -21.915 -10.063 1.00 0.00 N ATOM 0 H ASN A 95 -6.646 -19.424 -8.985 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.283 -22.277 -8.651 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.890 -20.062 -9.136 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.657 -20.699 -10.752 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -11.549 -22.597 -9.939 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.933 -21.121 -10.689 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.365 -21.054 -10.813 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.552 -21.276 -11.996 1.00 0.00 C ATOM 1441 C LYS A 96 -3.225 -21.918 -11.586 1.00 0.00 C ATOM 1442 O LYS A 96 -3.076 -23.137 -11.648 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.388 -19.975 -12.784 1.00 0.00 C ATOM 1444 CG LYS A 96 -5.747 -19.414 -13.207 1.00 0.00 C ATOM 1445 CD LYS A 96 -5.727 -18.970 -14.670 1.00 0.00 C ATOM 1446 CE LYS A 96 -5.729 -20.177 -15.610 1.00 0.00 C ATOM 1447 NZ LYS A 96 -6.086 -19.763 -16.985 1.00 0.00 N ATOM 0 H LYS A 96 -5.016 -20.329 -10.186 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.047 -21.972 -12.673 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.861 -19.241 -12.174 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.775 -20.155 -13.667 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.517 -20.172 -13.064 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.009 -18.569 -12.571 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.595 -18.343 -14.875 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.843 -18.361 -14.857 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.746 -20.647 -15.609 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.439 -20.923 -15.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.083 -20.594 -17.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.034 -19.335 -16.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.393 -19.068 -17.329 1.00 0.00 H new ATOM 1461 N SER A 97 -2.295 -21.068 -11.175 1.00 0.00 N ATOM 1462 CA SER A 97 -0.986 -21.537 -10.754 1.00 0.00 C ATOM 1463 C SER A 97 -0.946 -21.680 -9.232 1.00 0.00 C ATOM 1464 O SER A 97 -1.740 -21.061 -8.525 1.00 0.00 O ATOM 1465 CB SER A 97 0.117 -20.588 -11.227 1.00 0.00 C ATOM 1466 OG SER A 97 0.281 -20.623 -12.642 1.00 0.00 O ATOM 0 H SER A 97 -2.422 -20.057 -11.125 1.00 0.00 H new ATOM 0 HA SER A 97 -0.809 -22.512 -11.209 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.121 -19.571 -10.915 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.058 -20.857 -10.746 1.00 0.00 H new ATOM 0 HG SER A 97 0.993 -20.003 -12.904 1.00 0.00 H new ATOM 1472 N ALA A 98 -0.013 -22.500 -8.771 1.00 0.00 N ATOM 1473 CA ALA A 98 0.141 -22.733 -7.345 1.00 0.00 C ATOM 1474 C ALA A 98 1.207 -21.786 -6.790 1.00 0.00 C ATOM 1475 O ALA A 98 2.401 -22.056 -6.903 1.00 0.00 O ATOM 1476 CB ALA A 98 0.484 -24.204 -7.101 1.00 0.00 C ATOM 0 H ALA A 98 0.644 -23.011 -9.360 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.791 -22.525 -6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.599 -24.378 -6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.318 -24.833 -7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.415 -24.450 -7.611 1.00 0.00 H new ATOM 1482 N HIS A 99 0.736 -20.695 -6.203 1.00 0.00 N ATOM 1483 CA HIS A 99 1.634 -19.707 -5.631 1.00 0.00 C ATOM 1484 C HIS A 99 0.853 -18.788 -4.689 1.00 0.00 C ATOM 1485 O HIS A 99 -0.249 -18.351 -5.015 1.00 0.00 O ATOM 1486 CB HIS A 99 2.370 -18.940 -6.731 1.00 0.00 C ATOM 1487 CG HIS A 99 3.174 -17.764 -6.228 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.379 -17.909 -5.563 1.00 0.00 N ATOM 1489 CD2 HIS A 99 2.933 -16.424 -6.301 1.00 0.00 C ATOM 1490 CE1 HIS A 99 4.833 -16.704 -5.253 1.00 0.00 C ATOM 1491 NE2 HIS A 99 3.936 -15.785 -5.711 1.00 0.00 N ATOM 0 H HIS A 99 -0.256 -20.474 -6.111 1.00 0.00 H new ATOM 0 HA HIS A 99 2.402 -20.207 -5.041 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.037 -19.626 -7.254 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.643 -18.584 -7.461 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.072 -15.961 -6.761 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.752 -16.487 -4.729 1.00 0.00 H new ATOM 0 HE2 HIS A 99 4.022 -14.773 -5.616 1.00 0.00 H new ATOM 1499 N ARG A 100 1.456 -18.523 -3.539 1.00 0.00 N ATOM 1500 CA ARG A 100 0.830 -17.665 -2.547 1.00 0.00 C ATOM 1501 C ARG A 100 1.722 -16.457 -2.253 1.00 0.00 C ATOM 1502 O ARG A 100 2.689 -16.563 -1.500 1.00 0.00 O ATOM 1503 CB ARG A 100 0.569 -18.426 -1.246 1.00 0.00 C ATOM 1504 CG ARG A 100 -0.112 -17.527 -0.212 1.00 0.00 C ATOM 1505 CD ARG A 100 -1.290 -18.246 0.449 1.00 0.00 C ATOM 1506 NE ARG A 100 -0.933 -18.636 1.832 1.00 0.00 N ATOM 1507 CZ ARG A 100 -0.228 -19.732 2.145 1.00 0.00 C ATOM 1508 NH1 ARG A 100 0.200 -20.552 1.176 1.00 0.00 N ATOM 1509 NH2 ARG A 100 0.049 -20.007 3.426 1.00 0.00 N ATOM 0 H ARG A 100 2.371 -18.887 -3.272 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.123 -17.328 -2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -0.059 -19.294 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.511 -18.800 -0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.610 -17.230 0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.462 -16.614 -0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.164 -17.595 0.460 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.558 -19.130 -0.129 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.243 -18.033 2.594 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.011 -20.342 0.200 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.737 -21.386 1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.277 -19.382 4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.586 -20.841 3.664 1.00 0.00 H new ATOM 1523 N PRO A 101 1.356 -15.306 -2.878 1.00 0.00 N ATOM 1524 CA PRO A 101 2.112 -14.079 -2.691 1.00 0.00 C ATOM 1525 C PRO A 101 1.828 -13.465 -1.319 1.00 0.00 C ATOM 1526 O PRO A 101 1.013 -13.984 -0.558 1.00 0.00 O ATOM 1527 CB PRO A 101 1.694 -13.180 -3.842 1.00 0.00 C ATOM 1528 CG PRO A 101 0.385 -13.750 -4.363 1.00 0.00 C ATOM 1529 CD PRO A 101 0.217 -15.143 -3.777 1.00 0.00 C ATOM 0 HA PRO A 101 3.190 -14.243 -2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.566 -12.151 -3.507 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.453 -13.168 -4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.451 -13.112 -4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.394 -13.793 -5.452 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.727 -15.236 -3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.216 -15.904 -4.558 1.00 0.00 H new ATOM 1537 N HIS A 102 2.517 -12.367 -1.044 1.00 0.00 N ATOM 1538 CA HIS A 102 2.350 -11.676 0.223 1.00 0.00 C ATOM 1539 C HIS A 102 1.191 -10.682 0.117 1.00 0.00 C ATOM 1540 O HIS A 102 1.344 -9.604 -0.456 1.00 0.00 O ATOM 1541 CB HIS A 102 3.659 -11.015 0.659 1.00 0.00 C ATOM 1542 CG HIS A 102 4.849 -11.944 0.649 1.00 0.00 C ATOM 1543 ND1 HIS A 102 4.821 -13.205 1.220 1.00 0.00 N ATOM 1544 CD2 HIS A 102 6.100 -11.784 0.130 1.00 0.00 C ATOM 1545 CE1 HIS A 102 6.008 -13.768 1.048 1.00 0.00 C ATOM 1546 NE2 HIS A 102 6.799 -12.886 0.373 1.00 0.00 N ATOM 0 H HIS A 102 3.192 -11.939 -1.677 1.00 0.00 H new ATOM 0 HA HIS A 102 2.097 -12.395 1.002 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.865 -10.171 0.001 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.534 -10.612 1.664 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.461 -10.909 -0.390 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.298 -14.753 1.384 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.768 -13.047 0.100 1.00 0.00 H new ATOM 1554 N VAL A 103 0.059 -11.080 0.677 1.00 0.00 N ATOM 1555 CA VAL A 103 -1.125 -10.238 0.653 1.00 0.00 C ATOM 1556 C VAL A 103 -1.119 -9.321 1.877 1.00 0.00 C ATOM 1557 O VAL A 103 -1.543 -9.723 2.960 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.383 -11.106 0.561 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.645 -10.241 0.549 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.331 -12.019 -0.665 1.00 0.00 C ATOM 0 H VAL A 103 -0.064 -11.975 1.151 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.122 -9.600 -0.231 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.419 -11.739 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.525 -10.881 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.692 -9.653 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.619 -9.571 -0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.236 -12.625 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.259 -11.412 -1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.461 -12.672 -0.596 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.635 -8.106 1.665 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.568 -7.129 2.738 1.00 0.00 C ATOM 1572 C VAL A 104 -1.341 -5.874 2.327 1.00 0.00 C ATOM 1573 O VAL A 104 -1.828 -5.781 1.202 1.00 0.00 O ATOM 1574 CB VAL A 104 0.892 -6.842 3.095 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.572 -8.089 3.664 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.657 -6.305 1.884 1.00 0.00 C ATOM 0 H VAL A 104 -0.285 -7.776 0.765 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.038 -7.520 3.641 1.00 0.00 H new ATOM 0 HB VAL A 104 0.903 -6.072 3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.609 -7.858 3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.049 -8.410 4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.544 -8.889 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.692 -6.109 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.632 -7.042 1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.193 -5.380 1.541 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.428 -4.939 3.262 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.133 -3.694 3.012 1.00 0.00 C ATOM 1588 C GLY A 105 -1.150 -2.549 2.758 1.00 0.00 C ATOM 1589 O GLY A 105 -0.034 -2.558 3.274 1.00 0.00 O ATOM 0 H GLY A 105 -1.022 -5.019 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.791 -3.811 2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.766 -3.452 3.866 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.601 -1.590 1.962 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.776 -0.441 1.633 1.00 0.00 C ATOM 1595 C ALA A 106 -0.035 0.026 2.888 1.00 0.00 C ATOM 1596 O ALA A 106 1.113 0.460 2.810 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.650 0.660 1.030 1.00 0.00 C ATOM 0 H ALA A 106 -2.528 -1.586 1.536 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.027 -0.708 0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.030 1.522 0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.131 0.288 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.412 0.955 1.751 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.722 -0.080 4.016 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.144 0.325 5.286 1.00 0.00 C ATOM 1605 C LYS A 107 1.332 -0.079 5.321 1.00 0.00 C ATOM 1606 O LYS A 107 2.182 0.701 5.747 1.00 0.00 O ATOM 1607 CB LYS A 107 -0.963 -0.235 6.451 1.00 0.00 C ATOM 1608 CG LYS A 107 -0.200 -0.103 7.770 1.00 0.00 C ATOM 1609 CD LYS A 107 -0.987 0.738 8.777 1.00 0.00 C ATOM 1610 CE LYS A 107 -2.188 -0.039 9.321 1.00 0.00 C ATOM 1611 NZ LYS A 107 -3.123 0.872 10.018 1.00 0.00 N ATOM 0 H LYS A 107 -1.674 -0.441 4.077 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.181 1.409 5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.912 0.296 6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.197 -1.283 6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.012 -1.093 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.772 0.356 7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.335 1.030 9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.329 1.656 8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.704 -0.542 8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.847 -0.814 10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.932 0.328 10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.632 1.333 10.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.463 1.596 9.353 1.00 0.00 H new ATOM 1625 N TRP A 108 1.590 -1.297 4.868 1.00 0.00 N ATOM 1626 CA TRP A 108 2.948 -1.813 4.843 1.00 0.00 C ATOM 1627 C TRP A 108 3.765 -0.948 3.881 1.00 0.00 C ATOM 1628 O TRP A 108 4.703 -0.268 4.296 1.00 0.00 O ATOM 1629 CB TRP A 108 2.963 -3.297 4.471 1.00 0.00 C ATOM 1630 CG TRP A 108 4.347 -3.831 4.097 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.303 -4.290 4.916 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.895 -3.943 2.767 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.423 -4.688 4.214 1.00 0.00 N ATOM 1634 CE2 TRP A 108 6.167 -4.470 2.866 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.335 -3.609 1.521 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.985 -4.711 1.755 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 5.166 -3.856 0.421 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.448 -4.386 0.504 1.00 0.00 C ATOM 0 H TRP A 108 0.882 -1.941 4.516 1.00 0.00 H new ATOM 0 HA TRP A 108 3.401 -1.756 5.833 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.576 -3.875 5.310 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.284 -3.458 3.633 1.00 0.00 H new ATOM 0 HD1 TRP A 108 5.209 -4.342 5.991 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.280 -5.071 4.612 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.343 -3.195 1.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.977 -5.125 1.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.784 -3.618 -0.561 1.00 0.00 H new ATOM 0 HH2 TRP A 108 7.028 -4.546 -0.393 1.00 0.00 H new ATOM 1649 N LEU A 109 3.379 -1.001 2.615 1.00 0.00 N ATOM 1650 CA LEU A 109 4.064 -0.230 1.591 1.00 0.00 C ATOM 1651 C LEU A 109 4.435 1.143 2.155 1.00 0.00 C ATOM 1652 O LEU A 109 5.591 1.556 2.081 1.00 0.00 O ATOM 1653 CB LEU A 109 3.221 -0.164 0.316 1.00 0.00 C ATOM 1654 CG LEU A 109 3.872 -0.725 -0.949 1.00 0.00 C ATOM 1655 CD1 LEU A 109 3.173 -0.201 -2.205 1.00 0.00 C ATOM 1656 CD2 LEU A 109 5.375 -0.435 -0.967 1.00 0.00 C ATOM 0 H LEU A 109 2.601 -1.566 2.275 1.00 0.00 H new ATOM 0 HA LEU A 109 4.995 -0.719 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.290 -0.704 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.956 0.877 0.133 1.00 0.00 H new ATOM 0 HG LEU A 109 3.752 -1.808 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.656 -0.616 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.125 -0.500 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.239 0.887 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.814 -0.844 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.538 0.642 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.845 -0.896 -0.098 1.00 0.00 H new ATOM 1668 N LEU A 110 3.433 1.812 2.705 1.00 0.00 N ATOM 1669 CA LEU A 110 3.639 3.130 3.281 1.00 0.00 C ATOM 1670 C LEU A 110 4.830 3.082 4.240 1.00 0.00 C ATOM 1671 O LEU A 110 5.849 3.729 4.003 1.00 0.00 O ATOM 1672 CB LEU A 110 2.349 3.640 3.927 1.00 0.00 C ATOM 1673 CG LEU A 110 1.105 3.635 3.036 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.040 4.410 3.690 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.430 4.163 1.638 1.00 0.00 C ATOM 0 H LEU A 110 2.475 1.466 2.764 1.00 0.00 H new ATOM 0 HA LEU A 110 3.885 3.852 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.143 3.033 4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.518 4.659 4.275 1.00 0.00 H new ATOM 0 HG LEU A 110 0.771 2.604 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.912 4.391 3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.292 3.949 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.267 5.443 3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.529 4.149 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.802 5.185 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.191 3.532 1.179 1.00 0.00 H new ATOM 1687 N GLU A 111 4.662 2.309 5.303 1.00 0.00 N ATOM 1688 CA GLU A 111 5.711 2.167 6.298 1.00 0.00 C ATOM 1689 C GLU A 111 7.055 1.898 5.619 1.00 0.00 C ATOM 1690 O GLU A 111 8.080 2.442 6.027 1.00 0.00 O ATOM 1691 CB GLU A 111 5.371 1.061 7.299 1.00 0.00 C ATOM 1692 CG GLU A 111 4.002 1.302 7.938 1.00 0.00 C ATOM 1693 CD GLU A 111 4.143 1.659 9.419 1.00 0.00 C ATOM 1694 OE1 GLU A 111 5.151 2.319 9.750 1.00 0.00 O ATOM 1695 OE2 GLU A 111 3.239 1.264 10.187 1.00 0.00 O ATOM 0 H GLU A 111 3.815 1.775 5.497 1.00 0.00 H new ATOM 0 HA GLU A 111 5.788 3.102 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.376 0.095 6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.136 1.019 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.489 2.108 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.385 0.409 7.833 1.00 0.00 H new ATOM 1702 N CYS A 112 7.007 1.059 4.595 1.00 0.00 N ATOM 1703 CA CYS A 112 8.208 0.711 3.856 1.00 0.00 C ATOM 1704 C CYS A 112 8.880 2.006 3.394 1.00 0.00 C ATOM 1705 O CYS A 112 10.045 2.249 3.704 1.00 0.00 O ATOM 1706 CB CYS A 112 7.900 -0.222 2.683 1.00 0.00 C ATOM 1707 SG CYS A 112 6.883 -1.632 3.255 1.00 0.00 S ATOM 0 H CYS A 112 6.155 0.610 4.260 1.00 0.00 H new ATOM 0 HA CYS A 112 8.890 0.160 4.504 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.372 0.325 1.902 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.829 -0.587 2.244 1.00 0.00 H new ATOM 0 HG CYS A 112 6.986 -2.613 2.408 1.00 0.00 H new ATOM 1713 N PHE A 113 8.116 2.802 2.660 1.00 0.00 N ATOM 1714 CA PHE A 113 8.623 4.066 2.153 1.00 0.00 C ATOM 1715 C PHE A 113 8.851 5.062 3.292 1.00 0.00 C ATOM 1716 O PHE A 113 9.822 5.818 3.275 1.00 0.00 O ATOM 1717 CB PHE A 113 7.560 4.626 1.206 1.00 0.00 C ATOM 1718 CG PHE A 113 7.595 4.019 -0.198 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.468 4.499 -1.125 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.754 3.000 -0.519 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.500 3.935 -2.428 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.787 2.436 -1.822 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.659 2.916 -2.749 1.00 0.00 C ATOM 0 H PHE A 113 7.150 2.596 2.404 1.00 0.00 H new ATOM 0 HA PHE A 113 9.576 3.909 1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.575 4.455 1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.691 5.705 1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.136 5.308 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.061 2.620 0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.193 4.316 -3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 113 6.120 1.626 -2.077 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.683 2.488 -3.740 1.00 0.00 H new ATOM 1733 N SER A 114 7.941 5.031 4.253 1.00 0.00 N ATOM 1734 CA SER A 114 8.030 5.922 5.398 1.00 0.00 C ATOM 1735 C SER A 114 9.316 5.643 6.178 1.00 0.00 C ATOM 1736 O SER A 114 9.994 6.572 6.616 1.00 0.00 O ATOM 1737 CB SER A 114 6.812 5.770 6.311 1.00 0.00 C ATOM 1738 OG SER A 114 6.768 6.779 7.316 1.00 0.00 O ATOM 0 H SER A 114 7.138 4.403 4.263 1.00 0.00 H new ATOM 0 HA SER A 114 8.049 6.949 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.902 5.815 5.712 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.834 4.788 6.784 1.00 0.00 H new ATOM 0 HG SER A 114 5.975 6.648 7.877 1.00 0.00 H new ATOM 1744 N LYS A 115 9.613 4.361 6.329 1.00 0.00 N ATOM 1745 CA LYS A 115 10.806 3.949 7.049 1.00 0.00 C ATOM 1746 C LYS A 115 12.022 4.078 6.130 1.00 0.00 C ATOM 1747 O LYS A 115 13.145 4.253 6.600 1.00 0.00 O ATOM 1748 CB LYS A 115 10.622 2.546 7.632 1.00 0.00 C ATOM 1749 CG LYS A 115 9.265 2.414 8.325 1.00 0.00 C ATOM 1750 CD LYS A 115 9.429 2.349 9.845 1.00 0.00 C ATOM 1751 CE LYS A 115 8.787 1.081 10.412 1.00 0.00 C ATOM 1752 NZ LYS A 115 8.825 1.098 11.892 1.00 0.00 N ATOM 0 H LYS A 115 9.048 3.594 5.965 1.00 0.00 H new ATOM 0 HA LYS A 115 10.981 4.604 7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.702 1.805 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.420 2.337 8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.633 3.262 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.758 1.516 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.488 2.370 10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.973 3.227 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.755 1.004 10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.313 0.202 10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.385 0.231 12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.813 1.149 12.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.304 1.926 12.243 1.00 0.00 H new ATOM 1766 N GLY A 116 11.757 3.987 4.835 1.00 0.00 N ATOM 1767 CA GLY A 116 12.816 4.092 3.845 1.00 0.00 C ATOM 1768 C GLY A 116 13.297 2.707 3.409 1.00 0.00 C ATOM 1769 O GLY A 116 14.035 2.581 2.432 1.00 0.00 O ATOM 0 H GLY A 116 10.824 3.842 4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.455 4.645 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.651 4.657 4.259 1.00 0.00 H new ATOM 1773 N TYR A 117 12.861 1.702 4.154 1.00 0.00 N ATOM 1774 CA TYR A 117 13.239 0.331 3.857 1.00 0.00 C ATOM 1775 C TYR A 117 12.058 -0.620 4.062 1.00 0.00 C ATOM 1776 O TYR A 117 11.200 -0.376 4.909 1.00 0.00 O ATOM 1777 CB TYR A 117 14.345 -0.028 4.852 1.00 0.00 C ATOM 1778 CG TYR A 117 13.829 -0.477 6.220 1.00 0.00 C ATOM 1779 CD1 TYR A 117 13.540 0.460 7.191 1.00 0.00 C ATOM 1780 CD2 TYR A 117 13.653 -1.821 6.484 1.00 0.00 C ATOM 1781 CE1 TYR A 117 13.054 0.037 8.479 1.00 0.00 C ATOM 1782 CE2 TYR A 117 13.168 -2.244 7.772 1.00 0.00 C ATOM 1783 CZ TYR A 117 12.892 -1.294 8.706 1.00 0.00 C ATOM 1784 OH TYR A 117 12.434 -1.694 9.922 1.00 0.00 O ATOM 0 H TYR A 117 12.249 1.810 4.963 1.00 0.00 H new ATOM 0 HA TYR A 117 13.563 0.239 2.820 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.958 -0.823 4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 117 14.994 0.837 4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 117 13.678 1.511 6.985 1.00 0.00 H new ATOM 0 HD2 TYR A 117 13.879 -2.555 5.724 1.00 0.00 H new ATOM 0 HE1 TYR A 117 12.823 0.760 9.247 1.00 0.00 H new ATOM 0 HE2 TYR A 117 13.026 -3.292 7.992 1.00 0.00 H new ATOM 0 HH TYR A 117 12.367 -2.671 9.941 1.00 0.00 H new ATOM 1794 N MET A 118 12.051 -1.684 3.271 1.00 0.00 N ATOM 1795 CA MET A 118 10.990 -2.672 3.355 1.00 0.00 C ATOM 1796 C MET A 118 10.931 -3.296 4.751 1.00 0.00 C ATOM 1797 O MET A 118 11.965 -3.558 5.362 1.00 0.00 O ATOM 1798 CB MET A 118 11.229 -3.768 2.315 1.00 0.00 C ATOM 1799 CG MET A 118 11.091 -3.217 0.895 1.00 0.00 C ATOM 1800 SD MET A 118 11.730 -4.396 -0.283 1.00 0.00 S ATOM 1801 CE MET A 118 10.252 -5.342 -0.608 1.00 0.00 C ATOM 0 H MET A 118 12.764 -1.883 2.569 1.00 0.00 H new ATOM 0 HA MET A 118 10.040 -2.175 3.160 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.225 -4.191 2.449 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.516 -4.578 2.465 1.00 0.00 H new ATOM 0 HG2 MET A 118 10.044 -3.005 0.678 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.631 -2.274 0.808 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.474 -6.128 -1.330 1.00 0.00 H new ATOM 0 HE2 MET A 118 9.896 -5.791 0.319 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.481 -4.686 -1.012 1.00 0.00 H new ATOM 1811 N LEU A 119 9.709 -3.516 5.215 1.00 0.00 N ATOM 1812 CA LEU A 119 9.501 -4.104 6.527 1.00 0.00 C ATOM 1813 C LEU A 119 8.808 -5.459 6.370 1.00 0.00 C ATOM 1814 O LEU A 119 8.470 -5.862 5.258 1.00 0.00 O ATOM 1815 CB LEU A 119 8.750 -3.131 7.438 1.00 0.00 C ATOM 1816 CG LEU A 119 8.986 -1.643 7.169 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.801 -0.804 7.651 1.00 0.00 C ATOM 1818 CD2 LEU A 119 10.306 -1.177 7.785 1.00 0.00 C ATOM 0 H LEU A 119 8.853 -3.297 4.705 1.00 0.00 H new ATOM 0 HA LEU A 119 10.457 -4.289 7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.682 -3.331 7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.029 -3.342 8.470 1.00 0.00 H new ATOM 0 HG LEU A 119 9.065 -1.499 6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.994 0.249 7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.898 -1.115 7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.665 -0.948 8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.449 -0.116 7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 119 10.281 -1.337 8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 119 11.130 -1.745 7.353 1.00 0.00 H new ATOM 1830 N SER A 120 8.616 -6.124 7.500 1.00 0.00 N ATOM 1831 CA SER A 120 7.969 -7.425 7.501 1.00 0.00 C ATOM 1832 C SER A 120 6.533 -7.296 6.990 1.00 0.00 C ATOM 1833 O SER A 120 5.865 -6.296 7.250 1.00 0.00 O ATOM 1834 CB SER A 120 7.981 -8.044 8.900 1.00 0.00 C ATOM 1835 OG SER A 120 9.273 -7.988 9.498 1.00 0.00 O ATOM 0 H SER A 120 8.897 -5.786 8.421 1.00 0.00 H new ATOM 0 HA SER A 120 8.526 -8.085 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.265 -7.521 9.534 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.654 -9.082 8.840 1.00 0.00 H new ATOM 0 HG SER A 120 9.238 -8.391 10.390 1.00 0.00 H new ATOM 1841 N GLU A 121 6.100 -8.322 6.272 1.00 0.00 N ATOM 1842 CA GLU A 121 4.755 -8.336 5.722 1.00 0.00 C ATOM 1843 C GLU A 121 3.810 -9.102 6.649 1.00 0.00 C ATOM 1844 O GLU A 121 2.595 -9.075 6.464 1.00 0.00 O ATOM 1845 CB GLU A 121 4.745 -8.933 4.313 1.00 0.00 C ATOM 1846 CG GLU A 121 5.467 -8.016 3.324 1.00 0.00 C ATOM 1847 CD GLU A 121 6.777 -8.647 2.848 1.00 0.00 C ATOM 1848 OE1 GLU A 121 6.705 -9.460 1.901 1.00 0.00 O ATOM 1849 OE2 GLU A 121 7.822 -8.301 3.441 1.00 0.00 O ATOM 0 H GLU A 121 6.657 -9.150 6.058 1.00 0.00 H new ATOM 0 HA GLU A 121 4.403 -7.307 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.226 -9.911 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.716 -9.088 3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.822 -7.819 2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.672 -7.055 3.796 1.00 0.00 H new ATOM 1856 N GLU A 122 4.405 -9.769 7.628 1.00 0.00 N ATOM 1857 CA GLU A 122 3.631 -10.542 8.585 1.00 0.00 C ATOM 1858 C GLU A 122 2.772 -9.613 9.446 1.00 0.00 C ATOM 1859 O GLU A 122 1.605 -9.904 9.703 1.00 0.00 O ATOM 1860 CB GLU A 122 4.544 -11.408 9.455 1.00 0.00 C ATOM 1861 CG GLU A 122 4.949 -12.687 8.720 1.00 0.00 C ATOM 1862 CD GLU A 122 5.464 -13.743 9.701 1.00 0.00 C ATOM 1863 OE1 GLU A 122 6.670 -13.679 10.023 1.00 0.00 O ATOM 1864 OE2 GLU A 122 4.639 -14.591 10.106 1.00 0.00 O ATOM 0 H GLU A 122 5.414 -9.790 7.779 1.00 0.00 H new ATOM 0 HA GLU A 122 2.969 -11.210 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.435 -10.843 9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 122 4.033 -11.664 10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.094 -13.082 8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.722 -12.460 7.986 1.00 0.00 H new ATOM 1871 N PRO A 123 3.399 -8.487 9.879 1.00 0.00 N ATOM 1872 CA PRO A 123 2.705 -7.514 10.705 1.00 0.00 C ATOM 1873 C PRO A 123 1.722 -6.689 9.873 1.00 0.00 C ATOM 1874 O PRO A 123 1.078 -5.777 10.389 1.00 0.00 O ATOM 1875 CB PRO A 123 3.805 -6.673 11.332 1.00 0.00 C ATOM 1876 CG PRO A 123 5.042 -6.902 10.478 1.00 0.00 C ATOM 1877 CD PRO A 123 4.781 -8.110 9.594 1.00 0.00 C ATOM 0 HA PRO A 123 2.090 -7.979 11.475 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.530 -5.618 11.347 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.983 -6.970 12.365 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.254 -6.023 9.870 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.915 -7.072 11.108 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.915 -7.866 8.540 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.469 -8.924 9.823 1.00 0.00 H new ATOM 1885 N TYR A 124 1.637 -7.039 8.597 1.00 0.00 N ATOM 1886 CA TYR A 124 0.744 -6.342 7.688 1.00 0.00 C ATOM 1887 C TYR A 124 0.062 -7.321 6.731 1.00 0.00 C ATOM 1888 O TYR A 124 -0.060 -7.046 5.538 1.00 0.00 O ATOM 1889 CB TYR A 124 1.625 -5.387 6.880 1.00 0.00 C ATOM 1890 CG TYR A 124 2.308 -4.307 7.722 1.00 0.00 C ATOM 1891 CD1 TYR A 124 3.546 -4.548 8.280 1.00 0.00 C ATOM 1892 CD2 TYR A 124 1.685 -3.092 7.922 1.00 0.00 C ATOM 1893 CE1 TYR A 124 4.189 -3.532 9.073 1.00 0.00 C ATOM 1894 CE2 TYR A 124 2.327 -2.076 8.715 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.547 -2.346 9.251 1.00 0.00 C ATOM 1896 OH TYR A 124 4.154 -1.386 9.999 1.00 0.00 O ATOM 0 H TYR A 124 2.172 -7.796 8.172 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.037 -5.822 8.242 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.389 -5.966 6.361 1.00 0.00 H new ATOM 0 HB3 TYR A 124 1.015 -4.906 6.116 1.00 0.00 H new ATOM 0 HD1 TYR A 124 4.033 -5.499 8.122 1.00 0.00 H new ATOM 0 HD2 TYR A 124 0.716 -2.903 7.484 1.00 0.00 H new ATOM 0 HE1 TYR A 124 5.158 -3.708 9.516 1.00 0.00 H new ATOM 0 HE2 TYR A 124 1.850 -1.121 8.880 1.00 0.00 H new ATOM 0 HH TYR A 124 3.526 -0.651 10.160 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.365 -8.444 7.289 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.031 -9.466 6.500 1.00 0.00 C ATOM 1908 C ILE A 125 -2.520 -9.131 6.392 1.00 0.00 C ATOM 1909 O ILE A 125 -3.108 -8.590 7.327 1.00 0.00 O ATOM 1910 CB ILE A 125 -0.754 -10.856 7.078 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.748 -11.144 7.117 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.525 -11.932 6.312 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.305 -11.342 5.706 1.00 0.00 C ATOM 0 H ILE A 125 -0.263 -8.669 8.279 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.633 -9.483 5.486 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.112 -10.876 8.107 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.268 -10.319 7.604 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.935 -12.036 7.714 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.310 -12.910 6.743 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.594 -11.732 6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.221 -11.922 5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.374 -11.545 5.762 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.800 -12.183 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 125 1.138 -10.439 5.119 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.088 -9.466 5.242 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.497 -9.208 5.000 1.00 0.00 C ATOM 1927 C HIS A 126 -5.277 -10.522 5.059 1.00 0.00 C ATOM 1928 O HIS A 126 -5.134 -11.373 4.183 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.692 -8.461 3.679 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.062 -7.847 3.518 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -7.222 -8.484 3.922 1.00 0.00 N ATOM 1932 CD2 HIS A 126 -6.445 -6.647 2.994 1.00 0.00 C ATOM 1933 CE1 HIS A 126 -8.251 -7.695 3.648 1.00 0.00 C ATOM 1934 NE2 HIS A 126 -7.767 -6.557 3.072 1.00 0.00 N ATOM 0 H HIS A 126 -2.597 -9.914 4.468 1.00 0.00 H new ATOM 0 HA HIS A 126 -4.891 -8.557 5.781 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -3.941 -7.674 3.604 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.515 -9.151 2.854 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -5.784 -5.897 2.585 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -9.290 -7.914 3.846 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -8.328 -5.767 2.754 1.00 0.00 H new ATOM 1942 N SER A 127 -6.086 -10.646 6.101 1.00 0.00 N ATOM 1943 CA SER A 127 -6.890 -11.843 6.286 1.00 0.00 C ATOM 1944 C SER A 127 -8.377 -11.495 6.188 1.00 0.00 C ATOM 1945 O SER A 127 -8.739 -10.323 6.104 1.00 0.00 O ATOM 1946 CB SER A 127 -6.588 -12.507 7.631 1.00 0.00 C ATOM 1947 OG SER A 127 -5.634 -13.558 7.505 1.00 0.00 O ATOM 0 H SER A 127 -6.202 -9.938 6.826 1.00 0.00 H new ATOM 0 HA SER A 127 -6.636 -12.551 5.497 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.213 -11.758 8.329 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.511 -12.904 8.055 1.00 0.00 H new ATOM 0 HG SER A 127 -5.467 -13.955 8.385 1.00 0.00 H new