USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 402 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 THR OG1 : rot 32:sc= 0.174 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.68! C(o=-2.7!,f=-3.3!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0.366 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.416 X(o=-0.42,f=-0.15) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.488 K(o=-0.49,f=-3.4!) USER MOD Single : A 63 HIS : no HD1:sc= -0.554 K(o=-0.55,f=-0.045) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -134:sc= 0.0572 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0645) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -3.319 -7.236 1.244 1.00 0.00 N ATOM 272 CA THR A 20 -4.127 -6.120 0.769 1.00 0.00 C ATOM 273 C THR A 20 -3.891 -5.863 -0.715 1.00 0.00 C ATOM 274 O THR A 20 -2.792 -5.488 -1.123 1.00 0.00 O ATOM 275 CB THR A 20 -3.823 -4.832 1.557 1.00 0.00 C ATOM 276 OG1 THR A 20 -3.879 -5.093 2.964 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.814 -3.734 1.201 1.00 0.00 C ATOM 0 HA THR A 20 -5.170 -6.395 0.925 1.00 0.00 H new ATOM 0 HB THR A 20 -2.821 -4.497 1.290 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.595 -6.015 3.137 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.580 -2.834 1.770 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.749 -3.517 0.135 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.824 -4.063 1.443 1.00 0.00 H new ATOM 285 N VAL A 21 -4.931 -6.066 -1.518 1.00 0.00 N ATOM 286 CA VAL A 21 -4.837 -5.854 -2.958 1.00 0.00 C ATOM 287 C VAL A 21 -5.795 -4.759 -3.415 1.00 0.00 C ATOM 288 O VAL A 21 -6.998 -4.827 -3.164 1.00 0.00 O ATOM 289 CB VAL A 21 -5.143 -7.147 -3.737 1.00 0.00 C ATOM 290 CG1 VAL A 21 -5.094 -6.892 -5.235 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.170 -8.248 -3.343 1.00 0.00 C ATOM 0 H VAL A 21 -5.848 -6.377 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.812 -5.547 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.151 -7.475 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.313 -7.817 -5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.834 -6.137 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.100 -6.540 -5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.400 -9.155 -3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.152 -7.931 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.260 -8.448 -2.275 1.00 0.00 H new ATOM 301 N VAL A 22 -5.253 -3.750 -4.090 1.00 0.00 N ATOM 302 CA VAL A 22 -6.059 -2.641 -4.585 1.00 0.00 C ATOM 303 C VAL A 22 -6.052 -2.594 -6.109 1.00 0.00 C ATOM 304 O VAL A 22 -5.243 -3.258 -6.757 1.00 0.00 O ATOM 305 CB VAL A 22 -5.554 -1.292 -4.038 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.928 -1.136 -2.572 1.00 0.00 C ATOM 307 CG2 VAL A 22 -4.049 -1.171 -4.229 1.00 0.00 C ATOM 0 H VAL A 22 -4.259 -3.678 -4.306 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.077 -2.808 -4.234 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.035 -0.489 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.563 -0.177 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.012 -1.176 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.477 -1.943 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.708 -0.212 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.548 -1.979 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.811 -1.234 -5.291 1.00 0.00 H new ATOM 317 N ILE A 23 -6.959 -1.805 -6.674 1.00 0.00 N ATOM 318 CA ILE A 23 -7.057 -1.670 -8.122 1.00 0.00 C ATOM 319 C ILE A 23 -7.147 -0.204 -8.533 1.00 0.00 C ATOM 320 O ILE A 23 -7.734 0.614 -7.826 1.00 0.00 O ATOM 321 CB ILE A 23 -8.281 -2.423 -8.677 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.415 -3.790 -8.002 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.168 -2.579 -10.186 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.209 -3.754 -6.716 1.00 0.00 C ATOM 0 H ILE A 23 -7.636 -1.250 -6.151 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.151 -2.108 -8.541 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.177 -1.842 -8.458 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.892 -4.483 -8.695 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.420 -4.182 -7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.040 -3.113 -10.563 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.116 -1.594 -10.651 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.266 -3.142 -10.427 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.263 -4.757 -6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.721 -3.087 -6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.217 -3.392 -6.920 1.00 0.00 H new ATOM 336 N ALA A 24 -6.563 0.120 -9.682 1.00 0.00 N ATOM 337 CA ALA A 24 -6.580 1.486 -10.189 1.00 0.00 C ATOM 338 C ALA A 24 -7.778 1.717 -11.104 1.00 0.00 C ATOM 339 O ALA A 24 -7.835 1.189 -12.215 1.00 0.00 O ATOM 340 CB ALA A 24 -5.285 1.792 -10.927 1.00 0.00 C ATOM 0 H ALA A 24 -6.072 -0.545 -10.279 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.669 2.161 -9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.312 2.816 -11.300 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.442 1.676 -10.246 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.172 1.104 -11.764 1.00 0.00 H new ATOM 346 N LEU A 25 -8.735 2.507 -10.629 1.00 0.00 N ATOM 347 CA LEU A 25 -9.934 2.808 -11.404 1.00 0.00 C ATOM 348 C LEU A 25 -9.570 3.388 -12.767 1.00 0.00 C ATOM 349 O LEU A 25 -10.176 3.043 -13.782 1.00 0.00 O ATOM 350 CB LEU A 25 -10.825 3.789 -10.641 1.00 0.00 C ATOM 351 CG LEU A 25 -11.289 3.337 -9.256 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.683 4.536 -8.408 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.449 2.360 -9.374 1.00 0.00 C ATOM 0 H LEU A 25 -8.704 2.951 -9.711 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.479 1.877 -11.560 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.285 4.730 -10.532 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.707 3.996 -11.248 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.460 2.827 -8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.011 4.195 -7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.825 5.199 -8.295 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.496 5.075 -8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.766 2.049 -8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.281 2.844 -9.885 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.132 1.486 -9.943 1.00 0.00 H new ATOM 365 N TYR A 26 -8.575 4.268 -12.783 1.00 0.00 N ATOM 366 CA TYR A 26 -8.130 4.897 -14.022 1.00 0.00 C ATOM 367 C TYR A 26 -6.630 4.702 -14.223 1.00 0.00 C ATOM 368 O TYR A 26 -5.898 4.412 -13.276 1.00 0.00 O ATOM 369 CB TYR A 26 -8.465 6.389 -14.010 1.00 0.00 C ATOM 370 CG TYR A 26 -9.754 6.714 -13.289 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.974 6.676 -13.955 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.753 7.061 -11.944 1.00 0.00 C ATOM 373 CE1 TYR A 26 -12.154 6.974 -13.301 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.928 7.359 -11.282 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.126 7.314 -11.964 1.00 0.00 C ATOM 376 OH TYR A 26 -13.298 7.611 -11.308 1.00 0.00 O ATOM 0 H TYR A 26 -8.061 4.562 -11.952 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.654 4.421 -14.851 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.647 6.933 -13.537 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.533 6.746 -15.038 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.000 6.409 -15.001 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.817 7.098 -11.406 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.093 6.941 -13.833 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.909 7.626 -10.236 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.103 7.829 -10.373 1.00 0.00 H new ATOM 386 N ASP A 27 -6.181 4.865 -15.462 1.00 0.00 N ATOM 387 CA ASP A 27 -4.768 4.709 -15.789 1.00 0.00 C ATOM 388 C ASP A 27 -3.987 5.973 -15.441 1.00 0.00 C ATOM 389 O ASP A 27 -4.040 6.967 -16.165 1.00 0.00 O ATOM 390 CB ASP A 27 -4.599 4.384 -17.274 1.00 0.00 C ATOM 391 CG ASP A 27 -3.152 4.136 -17.652 1.00 0.00 C ATOM 392 OD1 ASP A 27 -2.316 5.034 -17.419 1.00 0.00 O ATOM 393 OD2 ASP A 27 -2.855 3.044 -18.181 1.00 0.00 O ATOM 0 H ASP A 27 -6.774 5.105 -16.256 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.373 3.884 -15.197 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.192 3.503 -17.520 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.991 5.208 -17.870 1.00 0.00 H new ATOM 398 N TYR A 28 -3.265 5.927 -14.327 1.00 0.00 N ATOM 399 CA TYR A 28 -2.477 7.069 -13.880 1.00 0.00 C ATOM 400 C TYR A 28 -1.077 7.036 -14.487 1.00 0.00 C ATOM 401 O TYR A 28 -0.477 5.972 -14.630 1.00 0.00 O ATOM 402 CB TYR A 28 -2.382 7.084 -12.353 1.00 0.00 C ATOM 403 CG TYR A 28 -1.618 8.269 -11.805 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.222 9.515 -11.687 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.294 8.141 -11.405 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.527 10.600 -11.188 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.408 9.221 -10.903 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.213 10.448 -10.797 1.00 0.00 C ATOM 409 OH TYR A 28 0.481 11.526 -10.298 1.00 0.00 O ATOM 0 H TYR A 28 -3.209 5.111 -13.717 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.978 7.977 -14.215 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.389 7.087 -11.935 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.900 6.165 -12.018 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.251 9.637 -11.990 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.195 7.182 -11.488 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.010 11.562 -11.105 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.437 9.105 -10.596 1.00 0.00 H new ATOM 0 HH TYR A 28 1.393 11.250 -10.068 1.00 0.00 H new ATOM 507 N GLU A 35 7.395 8.986 -7.884 1.00 0.00 N ATOM 508 CA GLU A 35 6.012 8.674 -8.226 1.00 0.00 C ATOM 509 C GLU A 35 5.937 7.433 -9.110 1.00 0.00 C ATOM 510 O GLU A 35 6.956 6.940 -9.596 1.00 0.00 O ATOM 511 CB GLU A 35 5.360 9.861 -8.937 1.00 0.00 C ATOM 512 CG GLU A 35 5.500 11.174 -8.185 1.00 0.00 C ATOM 513 CD GLU A 35 4.595 12.260 -8.733 1.00 0.00 C ATOM 514 OE1 GLU A 35 3.426 12.333 -8.301 1.00 0.00 O ATOM 515 OE2 GLU A 35 5.057 13.038 -9.594 1.00 0.00 O ATOM 0 HA GLU A 35 5.472 8.472 -7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.805 9.970 -9.926 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.301 9.648 -9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.270 11.012 -7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.536 11.509 -8.237 1.00 0.00 H new ATOM 522 N LEU A 36 4.723 6.932 -9.314 1.00 0.00 N ATOM 523 CA LEU A 36 4.513 5.748 -10.140 1.00 0.00 C ATOM 524 C LEU A 36 3.284 5.914 -11.027 1.00 0.00 C ATOM 525 O LEU A 36 2.346 6.629 -10.678 1.00 0.00 O ATOM 526 CB LEU A 36 4.355 4.508 -9.257 1.00 0.00 C ATOM 527 CG LEU A 36 4.067 3.197 -9.988 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.355 2.586 -10.517 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.350 2.220 -9.067 1.00 0.00 C ATOM 0 H LEU A 36 3.870 7.327 -8.919 1.00 0.00 H new ATOM 0 HA LEU A 36 5.386 5.622 -10.780 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.267 4.383 -8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.547 4.691 -8.549 1.00 0.00 H new ATOM 0 HG LEU A 36 3.416 3.411 -10.836 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.130 1.653 -11.034 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.829 3.280 -11.211 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.031 2.386 -9.686 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.153 1.292 -9.604 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.976 2.011 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.407 2.656 -8.737 1.00 0.00 H new ATOM 541 N ALA A 37 3.296 5.247 -12.177 1.00 0.00 N ATOM 542 CA ALA A 37 2.180 5.317 -13.112 1.00 0.00 C ATOM 543 C ALA A 37 1.322 4.058 -13.039 1.00 0.00 C ATOM 544 O ALA A 37 1.743 2.982 -13.464 1.00 0.00 O ATOM 545 CB ALA A 37 2.693 5.527 -14.529 1.00 0.00 C ATOM 0 H ALA A 37 4.066 4.652 -12.483 1.00 0.00 H new ATOM 0 HA ALA A 37 1.556 6.166 -12.833 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.850 5.578 -15.218 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.257 6.458 -14.577 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.340 4.696 -14.809 1.00 0.00 H new ATOM 551 N LEU A 38 0.118 4.200 -12.497 1.00 0.00 N ATOM 552 CA LEU A 38 -0.800 3.074 -12.368 1.00 0.00 C ATOM 553 C LEU A 38 -1.492 2.780 -13.695 1.00 0.00 C ATOM 554 O LEU A 38 -1.585 3.647 -14.564 1.00 0.00 O ATOM 555 CB LEU A 38 -1.845 3.364 -11.288 1.00 0.00 C ATOM 556 CG LEU A 38 -1.310 3.539 -9.867 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.413 4.019 -8.936 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.709 2.237 -9.358 1.00 0.00 C ATOM 0 H LEU A 38 -0.245 5.084 -12.140 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.221 2.197 -12.079 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.384 4.270 -11.566 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.570 2.550 -11.284 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.525 4.295 -9.886 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.013 4.138 -7.929 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.797 4.976 -9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.221 3.287 -8.922 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.333 2.381 -8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.474 1.460 -9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.111 1.936 -10.010 1.00 0.00 H new ATOM 570 N ARG A 39 -1.979 1.552 -13.843 1.00 0.00 N ATOM 571 CA ARG A 39 -2.663 1.144 -15.064 1.00 0.00 C ATOM 572 C ARG A 39 -4.148 0.908 -14.802 1.00 0.00 C ATOM 573 O ARG A 39 -4.529 0.400 -13.747 1.00 0.00 O ATOM 574 CB ARG A 39 -2.027 -0.126 -15.631 1.00 0.00 C ATOM 575 CG ARG A 39 -2.701 -0.633 -16.896 1.00 0.00 C ATOM 576 CD ARG A 39 -1.740 -1.443 -17.753 1.00 0.00 C ATOM 577 NE ARG A 39 -2.373 -1.927 -18.976 1.00 0.00 N ATOM 578 CZ ARG A 39 -2.691 -1.141 -20.000 1.00 0.00 C ATOM 579 NH1 ARG A 39 -2.435 0.159 -19.946 1.00 0.00 N ATOM 580 NH2 ARG A 39 -3.265 -1.656 -21.079 1.00 0.00 N ATOM 0 H ARG A 39 -1.912 0.823 -13.133 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.563 1.949 -15.792 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.975 0.068 -15.843 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.061 -0.909 -14.873 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.560 -1.249 -16.630 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.080 0.212 -17.471 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.877 -0.828 -18.010 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.367 -2.291 -17.178 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.583 -2.923 -19.049 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.993 0.558 -19.118 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.680 0.760 -20.733 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.463 -2.656 -21.124 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.509 -1.052 -21.864 1.00 0.00 H new ATOM 594 N ARG A 40 -4.981 1.282 -15.768 1.00 0.00 N ATOM 595 CA ARG A 40 -6.423 1.112 -15.641 1.00 0.00 C ATOM 596 C ARG A 40 -6.799 -0.366 -15.638 1.00 0.00 C ATOM 597 O ARG A 40 -6.410 -1.118 -16.531 1.00 0.00 O ATOM 598 CB ARG A 40 -7.145 1.830 -16.783 1.00 0.00 C ATOM 599 CG ARG A 40 -8.654 1.655 -16.755 1.00 0.00 C ATOM 600 CD ARG A 40 -9.326 2.432 -17.877 1.00 0.00 C ATOM 601 NE ARG A 40 -9.128 3.872 -17.739 1.00 0.00 N ATOM 602 CZ ARG A 40 -8.057 4.514 -18.192 1.00 0.00 C ATOM 603 NH1 ARG A 40 -7.091 3.845 -18.808 1.00 0.00 N ATOM 604 NH2 ARG A 40 -7.949 5.826 -18.028 1.00 0.00 N ATOM 0 H ARG A 40 -4.682 1.705 -16.647 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.732 1.549 -14.692 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.910 2.893 -16.738 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.762 1.459 -17.734 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.900 0.597 -16.845 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.043 1.992 -15.794 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.928 2.101 -18.836 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.393 2.212 -17.882 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.852 4.415 -17.269 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.170 2.836 -18.934 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.269 4.340 -19.155 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.689 6.343 -17.553 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.126 6.317 -18.376 1.00 0.00 H new ATOM 618 N ASN A 41 -7.557 -0.777 -14.626 1.00 0.00 N ATOM 619 CA ASN A 41 -7.985 -2.166 -14.506 1.00 0.00 C ATOM 620 C ASN A 41 -6.812 -3.065 -14.128 1.00 0.00 C ATOM 621 O ASN A 41 -6.700 -4.191 -14.612 1.00 0.00 O ATOM 622 CB ASN A 41 -8.607 -2.645 -15.819 1.00 0.00 C ATOM 623 CG ASN A 41 -9.586 -1.641 -16.395 1.00 0.00 C ATOM 624 OD1 ASN A 41 -10.214 -0.877 -15.661 1.00 0.00 O ATOM 625 ND2 ASN A 41 -9.722 -1.638 -17.716 1.00 0.00 N ATOM 0 H ASN A 41 -7.887 -0.168 -13.877 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.733 -2.223 -13.716 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.816 -2.835 -16.545 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.119 -3.592 -15.651 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.367 -0.985 -18.161 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.181 -2.289 -18.286 1.00 0.00 H new ATOM 632 N GLU A 42 -5.941 -2.559 -13.259 1.00 0.00 N ATOM 633 CA GLU A 42 -4.777 -3.317 -12.817 1.00 0.00 C ATOM 634 C GLU A 42 -4.688 -3.338 -11.293 1.00 0.00 C ATOM 635 O GLU A 42 -4.929 -2.328 -10.634 1.00 0.00 O ATOM 636 CB GLU A 42 -3.498 -2.719 -13.405 1.00 0.00 C ATOM 637 CG GLU A 42 -3.111 -3.311 -14.750 1.00 0.00 C ATOM 638 CD GLU A 42 -3.102 -4.827 -14.739 1.00 0.00 C ATOM 639 OE1 GLU A 42 -2.755 -5.410 -13.691 1.00 0.00 O ATOM 640 OE2 GLU A 42 -3.443 -5.430 -15.779 1.00 0.00 O ATOM 0 H GLU A 42 -6.020 -1.629 -12.848 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.887 -4.342 -13.172 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.628 -1.642 -13.515 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.679 -2.871 -12.702 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.808 -2.961 -15.511 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.123 -2.948 -15.032 1.00 0.00 H new ATOM 647 N GLU A 43 -4.343 -4.498 -10.742 1.00 0.00 N ATOM 648 CA GLU A 43 -4.224 -4.651 -9.297 1.00 0.00 C ATOM 649 C GLU A 43 -2.803 -4.343 -8.832 1.00 0.00 C ATOM 650 O GLU A 43 -1.844 -4.494 -9.590 1.00 0.00 O ATOM 651 CB GLU A 43 -4.613 -6.070 -8.878 1.00 0.00 C ATOM 652 CG GLU A 43 -6.039 -6.444 -9.248 1.00 0.00 C ATOM 653 CD GLU A 43 -6.149 -7.006 -10.652 1.00 0.00 C ATOM 654 OE1 GLU A 43 -6.274 -6.207 -11.603 1.00 0.00 O ATOM 655 OE2 GLU A 43 -6.109 -8.246 -10.800 1.00 0.00 O ATOM 0 H GLU A 43 -4.141 -5.344 -11.274 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.904 -3.941 -8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.928 -6.778 -9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.488 -6.169 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.414 -7.179 -8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.676 -5.563 -9.162 1.00 0.00 H new ATOM 662 N TYR A 44 -2.676 -3.912 -7.583 1.00 0.00 N ATOM 663 CA TYR A 44 -1.374 -3.580 -7.017 1.00 0.00 C ATOM 664 C TYR A 44 -1.301 -3.979 -5.546 1.00 0.00 C ATOM 665 O TYR A 44 -2.325 -4.220 -4.906 1.00 0.00 O ATOM 666 CB TYR A 44 -1.096 -2.083 -7.166 1.00 0.00 C ATOM 667 CG TYR A 44 -0.915 -1.640 -8.600 1.00 0.00 C ATOM 668 CD1 TYR A 44 -2.008 -1.482 -9.442 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.350 -1.381 -9.113 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.847 -1.078 -10.754 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.521 -0.975 -10.422 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.581 -0.826 -11.239 1.00 0.00 C ATOM 673 OH TYR A 44 -0.415 -0.423 -12.544 1.00 0.00 O ATOM 0 H TYR A 44 -3.459 -3.784 -6.942 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.615 -4.140 -7.564 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.920 -1.523 -6.723 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.199 -1.831 -6.601 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.001 -1.678 -9.065 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.215 -1.499 -8.477 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.708 -0.960 -11.396 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.511 -0.775 -10.804 1.00 0.00 H new ATOM 0 HH TYR A 44 0.538 -0.287 -12.726 1.00 0.00 H new ATOM 683 N CYS A 45 -0.084 -4.045 -5.018 1.00 0.00 N ATOM 684 CA CYS A 45 0.124 -4.414 -3.622 1.00 0.00 C ATOM 685 C CYS A 45 0.490 -3.193 -2.785 1.00 0.00 C ATOM 686 O CYS A 45 1.533 -2.572 -2.997 1.00 0.00 O ATOM 687 CB CYS A 45 1.223 -5.472 -3.511 1.00 0.00 C ATOM 688 SG CYS A 45 1.067 -6.551 -2.069 1.00 0.00 S ATOM 0 H CYS A 45 0.773 -3.848 -5.535 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.809 -4.828 -3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.215 -6.085 -4.412 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.191 -4.972 -3.474 1.00 0.00 H new ATOM 0 HG CYS A 45 2.040 -7.413 -2.064 1.00 0.00 H new ATOM 694 N LEU A 46 -0.374 -2.852 -1.836 1.00 0.00 N ATOM 695 CA LEU A 46 -0.142 -1.703 -0.967 1.00 0.00 C ATOM 696 C LEU A 46 1.052 -1.946 -0.050 1.00 0.00 C ATOM 697 O LEU A 46 0.971 -2.724 0.901 1.00 0.00 O ATOM 698 CB LEU A 46 -1.390 -1.411 -0.132 1.00 0.00 C ATOM 699 CG LEU A 46 -1.209 -0.422 1.021 1.00 0.00 C ATOM 700 CD1 LEU A 46 -0.994 0.985 0.488 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.413 -0.463 1.952 1.00 0.00 C ATOM 0 H LEU A 46 -1.242 -3.354 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 46 0.077 -0.840 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.165 -1.027 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.758 -2.352 0.277 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.325 -0.713 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.867 1.675 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.102 1.005 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.859 1.286 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.267 0.247 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.312 -0.198 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.523 -1.467 2.361 1.00 0.00 H new ATOM 713 N LEU A 47 2.161 -1.274 -0.341 1.00 0.00 N ATOM 714 CA LEU A 47 3.373 -1.414 0.459 1.00 0.00 C ATOM 715 C LEU A 47 3.194 -0.778 1.834 1.00 0.00 C ATOM 716 O LEU A 47 3.259 -1.460 2.857 1.00 0.00 O ATOM 717 CB LEU A 47 4.560 -0.773 -0.262 1.00 0.00 C ATOM 718 CG LEU A 47 5.116 -1.546 -1.458 1.00 0.00 C ATOM 719 CD1 LEU A 47 6.366 -0.868 -1.997 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.413 -2.987 -1.071 1.00 0.00 C ATOM 0 H LEU A 47 2.246 -0.627 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 47 3.569 -2.478 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.260 0.218 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.365 -0.632 0.460 1.00 0.00 H new ATOM 0 HG LEU A 47 4.362 -1.551 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.748 -1.432 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.122 0.146 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.125 -0.831 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.808 -3.522 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.148 -3.004 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.496 -3.470 -0.734 1.00 0.00 H new ATOM 732 N ASP A 48 2.967 0.530 1.850 1.00 0.00 N ATOM 733 CA ASP A 48 2.776 1.258 3.099 1.00 0.00 C ATOM 734 C ASP A 48 1.766 2.387 2.921 1.00 0.00 C ATOM 735 O ASP A 48 1.665 2.980 1.847 1.00 0.00 O ATOM 736 CB ASP A 48 4.108 1.822 3.595 1.00 0.00 C ATOM 737 CG ASP A 48 4.045 2.269 5.042 1.00 0.00 C ATOM 738 OD1 ASP A 48 3.530 1.499 5.879 1.00 0.00 O ATOM 739 OD2 ASP A 48 4.510 3.390 5.338 1.00 0.00 O ATOM 0 H ASP A 48 2.911 1.109 1.012 1.00 0.00 H new ATOM 0 HA ASP A 48 2.387 0.561 3.841 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.883 1.064 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.397 2.666 2.969 1.00 0.00 H new ATOM 744 N SER A 49 1.019 2.679 3.981 1.00 0.00 N ATOM 745 CA SER A 49 0.013 3.734 3.941 1.00 0.00 C ATOM 746 C SER A 49 0.411 4.899 4.840 1.00 0.00 C ATOM 747 O SER A 49 -0.443 5.583 5.405 1.00 0.00 O ATOM 748 CB SER A 49 -1.349 3.185 4.371 1.00 0.00 C ATOM 749 OG SER A 49 -1.268 2.551 5.635 1.00 0.00 O ATOM 0 H SER A 49 1.092 2.200 4.878 1.00 0.00 H new ATOM 0 HA SER A 49 -0.056 4.097 2.916 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.075 3.997 4.414 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.709 2.475 3.627 1.00 0.00 H new ATOM 0 HG SER A 49 -2.152 2.211 5.887 1.00 0.00 H new ATOM 755 N SER A 50 1.716 5.120 4.969 1.00 0.00 N ATOM 756 CA SER A 50 2.229 6.201 5.803 1.00 0.00 C ATOM 757 C SER A 50 1.359 7.447 5.675 1.00 0.00 C ATOM 758 O SER A 50 0.987 8.062 6.673 1.00 0.00 O ATOM 759 CB SER A 50 3.672 6.531 5.415 1.00 0.00 C ATOM 760 OG SER A 50 4.272 7.392 6.367 1.00 0.00 O ATOM 0 H SER A 50 2.437 4.565 4.507 1.00 0.00 H new ATOM 0 HA SER A 50 2.205 5.868 6.841 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.250 5.610 5.337 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.689 7.002 4.432 1.00 0.00 H new ATOM 0 HG SER A 50 5.194 7.586 6.097 1.00 0.00 H new ATOM 766 N GLU A 51 1.037 7.812 4.438 1.00 0.00 N ATOM 767 CA GLU A 51 0.211 8.985 4.178 1.00 0.00 C ATOM 768 C GLU A 51 -1.209 8.577 3.795 1.00 0.00 C ATOM 769 O GLU A 51 -1.535 7.390 3.754 1.00 0.00 O ATOM 770 CB GLU A 51 0.827 9.835 3.065 1.00 0.00 C ATOM 771 CG GLU A 51 1.804 10.883 3.569 1.00 0.00 C ATOM 772 CD GLU A 51 1.182 11.819 4.587 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.087 12.352 4.312 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.791 12.017 5.660 1.00 0.00 O ATOM 0 H GLU A 51 1.336 7.312 3.600 1.00 0.00 H new ATOM 0 HA GLU A 51 0.167 9.575 5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.341 9.180 2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.028 10.331 2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.665 10.386 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.174 11.465 2.725 1.00 0.00 H new ATOM 781 N ILE A 52 -2.048 9.568 3.517 1.00 0.00 N ATOM 782 CA ILE A 52 -3.432 9.313 3.137 1.00 0.00 C ATOM 783 C ILE A 52 -3.659 9.607 1.658 1.00 0.00 C ATOM 784 O ILE A 52 -4.107 8.743 0.903 1.00 0.00 O ATOM 785 CB ILE A 52 -4.411 10.158 3.973 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.244 9.847 5.462 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.844 9.902 3.531 1.00 0.00 C ATOM 788 CD1 ILE A 52 -5.000 10.796 6.366 1.00 0.00 C ATOM 0 H ILE A 52 -1.794 10.555 3.548 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.622 8.257 3.329 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.185 11.212 3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.583 8.829 5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.185 9.883 5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.524 10.507 4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.954 10.169 2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.083 8.847 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.836 10.516 7.406 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.645 11.814 6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.065 10.743 6.140 1.00 0.00 H new ATOM 800 N HIS A 53 -3.347 10.833 1.249 1.00 0.00 N ATOM 801 CA HIS A 53 -3.514 11.241 -0.141 1.00 0.00 C ATOM 802 C HIS A 53 -2.556 10.479 -1.051 1.00 0.00 C ATOM 803 O HIS A 53 -2.843 10.261 -2.228 1.00 0.00 O ATOM 804 CB HIS A 53 -3.284 12.746 -0.284 1.00 0.00 C ATOM 805 CG HIS A 53 -3.869 13.551 0.836 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.184 13.964 0.858 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.310 14.017 1.977 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.409 14.651 1.964 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.287 14.698 2.660 1.00 0.00 N ATOM 0 H HIS A 53 -2.977 11.561 1.861 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.535 11.007 -0.442 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.212 12.938 -0.337 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.715 13.083 -1.227 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.286 13.879 2.292 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.350 15.098 2.250 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.166 15.165 3.559 1.00 0.00 H new ATOM 818 N TRP A 54 -1.417 10.077 -0.498 1.00 0.00 N ATOM 819 CA TRP A 54 -0.416 9.340 -1.260 1.00 0.00 C ATOM 820 C TRP A 54 -0.129 7.988 -0.617 1.00 0.00 C ATOM 821 O TRP A 54 0.232 7.913 0.557 1.00 0.00 O ATOM 822 CB TRP A 54 0.876 10.153 -1.364 1.00 0.00 C ATOM 823 CG TRP A 54 0.682 11.498 -1.996 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.792 12.714 -1.385 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.343 11.762 -3.362 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.541 13.719 -2.289 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.264 13.161 -3.509 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.100 10.953 -4.475 1.00 0.00 C ATOM 829 CZ2 TRP A 54 -0.048 13.765 -4.724 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.210 11.554 -5.680 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.281 12.949 -5.797 1.00 0.00 C ATOM 0 H TRP A 54 -1.164 10.249 0.475 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.811 9.169 -2.261 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.295 10.285 -0.366 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.606 9.589 -1.944 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.040 12.864 -0.345 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.558 14.718 -2.084 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.154 9.877 -4.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.104 14.840 -4.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.401 10.938 -6.547 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.524 13.388 -6.753 1.00 0.00 H new ATOM 842 N TRP A 55 -0.293 6.922 -1.393 1.00 0.00 N ATOM 843 CA TRP A 55 -0.051 5.572 -0.898 1.00 0.00 C ATOM 844 C TRP A 55 1.085 4.906 -1.666 1.00 0.00 C ATOM 845 O TRP A 55 1.285 5.173 -2.851 1.00 0.00 O ATOM 846 CB TRP A 55 -1.323 4.730 -1.012 1.00 0.00 C ATOM 847 CG TRP A 55 -2.270 4.926 0.134 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.088 5.738 1.217 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.544 4.297 0.310 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.173 5.651 2.056 1.00 0.00 N ATOM 851 CE2 TRP A 55 -4.080 4.775 1.521 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.285 3.379 -0.439 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.322 4.364 1.999 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.516 2.972 0.036 1.00 0.00 C ATOM 855 CH2 TRP A 55 -6.025 3.464 1.245 1.00 0.00 C ATOM 0 H TRP A 55 -0.592 6.967 -2.367 1.00 0.00 H new ATOM 0 HA TRP A 55 0.237 5.642 0.151 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.833 4.980 -1.942 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.049 3.677 -1.071 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.220 6.357 1.389 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.285 6.157 2.935 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.902 2.995 -1.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.716 4.742 2.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.097 2.262 -0.534 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.991 3.126 1.589 1.00 0.00 H new ATOM 866 N ARG A 56 1.825 4.038 -0.985 1.00 0.00 N ATOM 867 CA ARG A 56 2.942 3.334 -1.604 1.00 0.00 C ATOM 868 C ARG A 56 2.525 1.934 -2.046 1.00 0.00 C ATOM 869 O ARG A 56 2.000 1.152 -1.253 1.00 0.00 O ATOM 870 CB ARG A 56 4.118 3.243 -0.630 1.00 0.00 C ATOM 871 CG ARG A 56 5.441 2.914 -1.302 1.00 0.00 C ATOM 872 CD ARG A 56 6.608 3.061 -0.338 1.00 0.00 C ATOM 873 NE ARG A 56 7.851 2.538 -0.898 1.00 0.00 N ATOM 874 CZ ARG A 56 9.022 2.602 -0.275 1.00 0.00 C ATOM 875 NH1 ARG A 56 9.110 3.162 0.923 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.109 2.103 -0.850 1.00 0.00 N ATOM 0 H ARG A 56 1.671 3.805 -0.004 1.00 0.00 H new ATOM 0 HA ARG A 56 3.251 3.898 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.215 4.191 -0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.901 2.481 0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.411 1.894 -1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.589 3.573 -2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.739 4.113 -0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.380 2.537 0.590 1.00 0.00 H new ATOM 0 HE ARG A 56 7.818 2.099 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.277 3.545 1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.011 3.210 1.399 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.045 1.670 -1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.008 2.153 -0.371 1.00 0.00 H new ATOM 890 N VAL A 57 2.761 1.626 -3.317 1.00 0.00 N ATOM 891 CA VAL A 57 2.411 0.321 -3.865 1.00 0.00 C ATOM 892 C VAL A 57 3.541 -0.236 -4.723 1.00 0.00 C ATOM 893 O VAL A 57 4.524 0.452 -4.994 1.00 0.00 O ATOM 894 CB VAL A 57 1.127 0.395 -4.713 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.002 1.034 -3.918 1.00 0.00 C ATOM 896 CG2 VAL A 57 1.383 1.160 -6.002 1.00 0.00 C ATOM 0 H VAL A 57 3.193 2.262 -3.987 1.00 0.00 H new ATOM 0 HA VAL A 57 2.241 -0.343 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 57 0.826 -0.619 -4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.901 1.078 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.201 0.439 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.286 2.043 -3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.465 1.202 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.709 2.173 -5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.158 0.654 -6.578 1.00 0.00 H new ATOM 906 N GLN A 58 3.394 -1.488 -5.146 1.00 0.00 N ATOM 907 CA GLN A 58 4.403 -2.138 -5.973 1.00 0.00 C ATOM 908 C GLN A 58 3.756 -2.889 -7.132 1.00 0.00 C ATOM 909 O GLN A 58 3.119 -3.924 -6.935 1.00 0.00 O ATOM 910 CB GLN A 58 5.241 -3.100 -5.130 1.00 0.00 C ATOM 911 CG GLN A 58 6.282 -3.864 -5.933 1.00 0.00 C ATOM 912 CD GLN A 58 6.739 -5.132 -5.238 1.00 0.00 C ATOM 913 OE1 GLN A 58 5.998 -6.113 -5.162 1.00 0.00 O ATOM 914 NE2 GLN A 58 7.964 -5.119 -4.728 1.00 0.00 N ATOM 0 H GLN A 58 2.586 -2.072 -4.929 1.00 0.00 H new ATOM 0 HA GLN A 58 5.053 -1.365 -6.383 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.743 -2.537 -4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.578 -3.813 -4.640 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.868 -4.118 -6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.144 -3.220 -6.110 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.543 -4.284 -4.814 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.326 -5.944 -4.250 1.00 0.00 H new ATOM 923 N ASP A 59 3.924 -2.361 -8.340 1.00 0.00 N ATOM 924 CA ASP A 59 3.356 -2.983 -9.531 1.00 0.00 C ATOM 925 C ASP A 59 3.650 -4.479 -9.555 1.00 0.00 C ATOM 926 O ASP A 59 4.453 -4.977 -8.766 1.00 0.00 O ATOM 927 CB ASP A 59 3.914 -2.320 -10.792 1.00 0.00 C ATOM 928 CG ASP A 59 3.406 -2.975 -12.062 1.00 0.00 C ATOM 929 OD1 ASP A 59 2.175 -2.991 -12.270 1.00 0.00 O ATOM 930 OD2 ASP A 59 4.241 -3.472 -12.848 1.00 0.00 O ATOM 0 H ASP A 59 4.448 -1.505 -8.520 1.00 0.00 H new ATOM 0 HA ASP A 59 2.275 -2.844 -9.504 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.640 -1.265 -10.796 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.003 -2.367 -10.773 1.00 0.00 H new ATOM 935 N ARG A 60 2.994 -5.191 -10.466 1.00 0.00 N ATOM 936 CA ARG A 60 3.183 -6.631 -10.591 1.00 0.00 C ATOM 937 C ARG A 60 4.604 -6.956 -11.041 1.00 0.00 C ATOM 938 O ARG A 60 5.177 -7.968 -10.639 1.00 0.00 O ATOM 939 CB ARG A 60 2.176 -7.214 -11.585 1.00 0.00 C ATOM 940 CG ARG A 60 2.308 -6.647 -12.989 1.00 0.00 C ATOM 941 CD ARG A 60 1.311 -7.285 -13.943 1.00 0.00 C ATOM 942 NE ARG A 60 1.251 -6.583 -15.222 1.00 0.00 N ATOM 943 CZ ARG A 60 0.439 -6.931 -16.215 1.00 0.00 C ATOM 944 NH1 ARG A 60 -0.376 -7.968 -16.076 1.00 0.00 N ATOM 945 NH2 ARG A 60 0.442 -6.242 -17.349 1.00 0.00 N ATOM 0 H ARG A 60 2.327 -4.794 -11.128 1.00 0.00 H new ATOM 0 HA ARG A 60 3.019 -7.080 -9.612 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.303 -8.296 -11.626 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.167 -7.025 -11.219 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.150 -5.569 -12.964 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.321 -6.812 -13.356 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.587 -8.326 -14.113 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.322 -7.289 -13.485 1.00 0.00 H new ATOM 0 HE ARG A 60 1.866 -5.781 -15.361 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.380 -8.500 -15.206 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.998 -8.233 -16.839 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.068 -5.444 -17.459 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.182 -6.510 -18.110 1.00 0.00 H new ATOM 959 N ASN A 61 5.167 -6.090 -11.878 1.00 0.00 N ATOM 960 CA ASN A 61 6.521 -6.286 -12.383 1.00 0.00 C ATOM 961 C ASN A 61 7.553 -6.007 -11.295 1.00 0.00 C ATOM 962 O ASN A 61 8.450 -6.813 -11.054 1.00 0.00 O ATOM 963 CB ASN A 61 6.774 -5.376 -13.587 1.00 0.00 C ATOM 964 CG ASN A 61 6.082 -5.872 -14.842 1.00 0.00 C ATOM 965 OD1 ASN A 61 5.172 -6.699 -14.777 1.00 0.00 O ATOM 966 ND2 ASN A 61 6.512 -5.368 -15.993 1.00 0.00 N ATOM 0 H ASN A 61 4.707 -5.247 -12.220 1.00 0.00 H new ATOM 0 HA ASN A 61 6.620 -7.326 -12.694 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.426 -4.369 -13.357 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.847 -5.309 -13.769 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.085 -5.664 -16.871 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.269 -4.685 -15.999 1.00 0.00 H new ATOM 973 N GLY A 62 7.419 -4.857 -10.640 1.00 0.00 N ATOM 974 CA GLY A 62 8.346 -4.492 -9.585 1.00 0.00 C ATOM 975 C GLY A 62 8.624 -3.003 -9.547 1.00 0.00 C ATOM 976 O GLY A 62 9.749 -2.580 -9.280 1.00 0.00 O ATOM 0 H GLY A 62 6.685 -4.172 -10.821 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.940 -4.807 -8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.283 -5.030 -9.727 1.00 0.00 H new ATOM 980 N HIS A 63 7.597 -2.203 -9.817 1.00 0.00 N ATOM 981 CA HIS A 63 7.736 -0.751 -9.814 1.00 0.00 C ATOM 982 C HIS A 63 6.971 -0.135 -8.647 1.00 0.00 C ATOM 983 O HIS A 63 5.758 -0.302 -8.531 1.00 0.00 O ATOM 984 CB HIS A 63 7.233 -0.167 -11.134 1.00 0.00 C ATOM 985 CG HIS A 63 7.624 -0.974 -12.334 1.00 0.00 C ATOM 986 ND1 HIS A 63 6.861 -1.035 -13.481 1.00 0.00 N ATOM 987 CD2 HIS A 63 8.706 -1.754 -12.562 1.00 0.00 C ATOM 988 CE1 HIS A 63 7.456 -1.820 -14.361 1.00 0.00 C ATOM 989 NE2 HIS A 63 8.578 -2.269 -13.828 1.00 0.00 N ATOM 0 H HIS A 63 6.659 -2.536 -10.041 1.00 0.00 H new ATOM 0 HA HIS A 63 8.793 -0.512 -9.699 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.146 -0.090 -11.097 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.621 0.845 -11.245 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.519 -1.937 -11.875 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.088 -2.055 -15.349 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.241 -2.896 -14.283 1.00 0.00 H new ATOM 998 N GLU A 64 7.690 0.578 -7.785 1.00 0.00 N ATOM 999 CA GLU A 64 7.078 1.218 -6.626 1.00 0.00 C ATOM 1000 C GLU A 64 7.032 2.733 -6.803 1.00 0.00 C ATOM 1001 O GLU A 64 7.647 3.282 -7.716 1.00 0.00 O ATOM 1002 CB GLU A 64 7.850 0.865 -5.354 1.00 0.00 C ATOM 1003 CG GLU A 64 7.827 -0.617 -5.019 1.00 0.00 C ATOM 1004 CD GLU A 64 9.061 -1.063 -4.260 1.00 0.00 C ATOM 1005 OE1 GLU A 64 9.390 -0.428 -3.236 1.00 0.00 O ATOM 1006 OE2 GLU A 64 9.697 -2.048 -4.689 1.00 0.00 O ATOM 0 H GLU A 64 8.696 0.727 -7.867 1.00 0.00 H new ATOM 0 HA GLU A 64 6.056 0.849 -6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.885 1.187 -5.466 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.431 1.424 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.940 -0.838 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.744 -1.193 -5.941 1.00 0.00 H new ATOM 1013 N GLY A 65 6.297 3.404 -5.920 1.00 0.00 N ATOM 1014 CA GLY A 65 6.183 4.848 -5.995 1.00 0.00 C ATOM 1015 C GLY A 65 4.970 5.374 -5.254 1.00 0.00 C ATOM 1016 O GLY A 65 4.251 4.612 -4.606 1.00 0.00 O ATOM 0 H GLY A 65 5.779 2.972 -5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.083 5.302 -5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.126 5.151 -7.041 1.00 0.00 H new ATOM 1020 N TYR A 66 4.741 6.679 -5.347 1.00 0.00 N ATOM 1021 CA TYR A 66 3.608 7.306 -4.676 1.00 0.00 C ATOM 1022 C TYR A 66 2.469 7.564 -5.657 1.00 0.00 C ATOM 1023 O TYR A 66 2.646 8.245 -6.667 1.00 0.00 O ATOM 1024 CB TYR A 66 4.040 8.619 -4.021 1.00 0.00 C ATOM 1025 CG TYR A 66 4.932 8.430 -2.815 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.528 7.640 -1.745 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.177 9.042 -2.743 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.339 7.464 -0.641 1.00 0.00 C ATOM 1029 CE2 TYR A 66 6.995 8.871 -1.643 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.571 8.082 -0.594 1.00 0.00 C ATOM 1031 OH TYR A 66 7.383 7.910 0.504 1.00 0.00 O ATOM 0 H TYR A 66 5.325 7.323 -5.880 1.00 0.00 H new ATOM 0 HA TYR A 66 3.251 6.623 -3.905 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.564 9.228 -4.758 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.152 9.175 -3.722 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.563 7.155 -1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.511 9.662 -3.561 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.010 6.846 0.181 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.961 9.352 -1.605 1.00 0.00 H new ATOM 0 HH TYR A 66 8.215 8.412 0.377 1.00 0.00 H new ATOM 1041 N VAL A 67 1.298 7.016 -5.351 1.00 0.00 N ATOM 1042 CA VAL A 67 0.127 7.187 -6.203 1.00 0.00 C ATOM 1043 C VAL A 67 -1.069 7.685 -5.400 1.00 0.00 C ATOM 1044 O VAL A 67 -1.177 7.459 -4.195 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.253 5.870 -6.906 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.731 5.557 -8.022 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.314 4.729 -5.901 1.00 0.00 C ATOM 0 H VAL A 67 1.135 6.449 -4.519 1.00 0.00 H new ATOM 0 HA VAL A 67 0.390 7.930 -6.956 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.242 5.987 -7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.446 4.623 -8.507 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.720 6.364 -8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.734 5.459 -7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.584 3.806 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.660 4.609 -5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.062 4.953 -5.141 1.00 0.00 H new ATOM 1057 N PRO A 68 -1.991 8.381 -6.082 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.198 8.925 -5.453 1.00 0.00 C ATOM 1059 C PRO A 68 -4.181 7.834 -5.044 1.00 0.00 C ATOM 1060 O PRO A 68 -4.770 7.166 -5.893 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.803 9.807 -6.548 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.299 9.225 -7.824 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.927 8.688 -7.521 1.00 0.00 C ATOM 0 HA PRO A 68 -2.970 9.462 -4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.892 9.794 -6.510 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.492 10.846 -6.437 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.958 8.433 -8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.258 9.981 -8.608 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.704 7.800 -8.112 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.151 9.421 -7.741 1.00 0.00 H new ATOM 1071 N SER A 69 -4.355 7.659 -3.737 1.00 0.00 N ATOM 1072 CA SER A 69 -5.265 6.646 -3.216 1.00 0.00 C ATOM 1073 C SER A 69 -6.587 6.661 -3.976 1.00 0.00 C ATOM 1074 O SER A 69 -7.211 5.619 -4.179 1.00 0.00 O ATOM 1075 CB SER A 69 -5.518 6.877 -1.725 1.00 0.00 C ATOM 1076 OG SER A 69 -6.108 8.146 -1.498 1.00 0.00 O ATOM 0 H SER A 69 -3.878 8.206 -3.020 1.00 0.00 H new ATOM 0 HA SER A 69 -4.799 5.670 -3.352 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.171 6.095 -1.338 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.578 6.807 -1.178 1.00 0.00 H new ATOM 0 HG SER A 69 -5.654 8.589 -0.751 1.00 0.00 H new ATOM 1082 N SER A 70 -7.008 7.850 -4.395 1.00 0.00 N ATOM 1083 CA SER A 70 -8.259 8.002 -5.131 1.00 0.00 C ATOM 1084 C SER A 70 -8.379 6.943 -6.222 1.00 0.00 C ATOM 1085 O SER A 70 -9.456 6.390 -6.449 1.00 0.00 O ATOM 1086 CB SER A 70 -8.345 9.399 -5.748 1.00 0.00 C ATOM 1087 OG SER A 70 -8.204 10.404 -4.758 1.00 0.00 O ATOM 0 H SER A 70 -6.502 8.722 -4.238 1.00 0.00 H new ATOM 0 HA SER A 70 -9.083 7.871 -4.430 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.567 9.515 -6.502 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.302 9.517 -6.257 1.00 0.00 H new ATOM 0 HG SER A 70 -8.261 11.287 -5.178 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.268 6.667 -6.895 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.248 5.676 -7.964 1.00 0.00 C ATOM 1095 C TYR A 71 -7.328 4.261 -7.399 1.00 0.00 C ATOM 1096 O TYR A 71 -8.058 3.414 -7.915 1.00 0.00 O ATOM 1097 CB TYR A 71 -5.981 5.829 -8.807 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.013 7.020 -9.738 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.216 8.304 -9.248 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.841 6.861 -11.107 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.247 9.395 -10.095 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.869 7.946 -11.962 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.072 9.211 -11.451 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.102 10.294 -12.299 1.00 0.00 O ATOM 0 H TYR A 71 -6.369 7.116 -6.719 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.120 5.845 -8.596 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.122 5.921 -8.143 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.834 4.923 -9.395 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.352 8.452 -8.187 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.683 5.872 -11.510 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.407 10.386 -9.698 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.733 7.804 -13.024 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.961 9.992 -13.221 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.574 4.014 -6.334 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.558 2.702 -5.695 1.00 0.00 C ATOM 1116 C LEU A 72 -7.874 2.434 -4.971 1.00 0.00 C ATOM 1117 O LEU A 72 -8.462 3.336 -4.375 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.392 2.607 -4.710 1.00 0.00 C ATOM 1119 CG LEU A 72 -3.994 2.783 -5.305 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.937 2.711 -4.215 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.733 1.731 -6.373 1.00 0.00 C ATOM 0 H LEU A 72 -5.966 4.705 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.431 1.948 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.534 3.362 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.436 1.635 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.940 3.767 -5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.949 2.838 -4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.112 3.501 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.991 1.742 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.734 1.871 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.807 0.737 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.471 1.830 -7.169 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.329 1.186 -5.025 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.573 0.797 -4.372 1.00 0.00 C ATOM 1135 C VAL A 73 -9.453 -0.585 -3.740 1.00 0.00 C ATOM 1136 O VAL A 73 -8.939 -1.517 -4.356 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.751 0.796 -5.364 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.662 1.991 -6.301 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.784 -0.507 -6.149 1.00 0.00 C ATOM 0 H VAL A 73 -7.854 0.427 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.765 1.534 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.680 0.877 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.503 1.973 -6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.691 2.912 -5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.728 1.945 -6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.622 -0.491 -6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.853 -0.621 -6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.900 -1.344 -5.460 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.933 -0.709 -2.506 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.878 -1.978 -1.790 1.00 0.00 C ATOM 1151 C GLU A 74 -10.738 -3.031 -2.484 1.00 0.00 C ATOM 1152 O GLU A 74 -11.960 -2.904 -2.555 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.346 -1.795 -0.345 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.737 -2.795 0.623 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.530 -2.918 1.910 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -11.555 -3.631 1.911 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -10.125 -2.300 2.917 1.00 0.00 O ATOM 0 H GLU A 74 -10.364 0.053 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.843 -2.320 -1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.097 -0.786 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.432 -1.883 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.678 -3.771 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.716 -2.493 0.857 1.00 0.00 H new ATOM 1164 N LYS A 75 -10.089 -4.072 -2.997 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.791 -5.148 -3.685 1.00 0.00 C ATOM 1166 C LYS A 75 -12.047 -5.555 -2.921 1.00 0.00 C ATOM 1167 O LYS A 75 -11.967 -6.206 -1.879 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.870 -6.359 -3.855 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.513 -7.511 -4.607 1.00 0.00 C ATOM 1170 CD LYS A 75 -10.417 -7.318 -6.111 1.00 0.00 C ATOM 1171 CE LYS A 75 -11.247 -8.350 -6.859 1.00 0.00 C ATOM 1172 NZ LYS A 75 -12.706 -8.078 -6.743 1.00 0.00 N ATOM 0 H LYS A 75 -9.077 -4.192 -2.949 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.088 -4.783 -4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.969 -6.048 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.557 -6.708 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.027 -8.446 -4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.560 -7.597 -4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.758 -6.316 -6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.375 -7.392 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.961 -8.353 -7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.031 -9.344 -6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.227 -8.695 -7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.018 -8.265 -5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.894 -7.083 -6.981 1.00 0.00 H new