USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=11 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 26:sc= 0.0563 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= -2.55 K(o=-2.6,f=-3.7!) USER MOD Single : A 44 TYR OH : rot 180:sc= -1.07 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= -0.308 X(o=-0.31,f=-0.12) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0523 K(o=-0.052,f=-1.6!) USER MOD Single : A 63 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-1) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -3.014 -6.565 1.213 1.00 0.00 N ATOM 272 CA THR A 20 -4.036 -5.614 0.793 1.00 0.00 C ATOM 273 C THR A 20 -3.897 -5.274 -0.686 1.00 0.00 C ATOM 274 O THR A 20 -3.050 -4.467 -1.071 1.00 0.00 O ATOM 275 CB THR A 20 -3.967 -4.314 1.616 1.00 0.00 C ATOM 276 OG1 THR A 20 -4.118 -4.608 3.009 1.00 0.00 O ATOM 277 CG2 THR A 20 -5.047 -3.338 1.177 1.00 0.00 C ATOM 0 HA THR A 20 -5.001 -6.092 0.964 1.00 0.00 H new ATOM 0 HB THR A 20 -2.994 -3.853 1.447 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.830 -5.528 3.182 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.978 -2.428 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.910 -3.094 0.124 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.028 -3.792 1.320 1.00 0.00 H new ATOM 285 N VAL A 21 -4.733 -5.894 -1.513 1.00 0.00 N ATOM 286 CA VAL A 21 -4.704 -5.655 -2.951 1.00 0.00 C ATOM 287 C VAL A 21 -5.634 -4.510 -3.337 1.00 0.00 C ATOM 288 O VAL A 21 -6.786 -4.460 -2.907 1.00 0.00 O ATOM 289 CB VAL A 21 -5.107 -6.917 -3.738 1.00 0.00 C ATOM 290 CG1 VAL A 21 -5.287 -6.591 -5.213 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.073 -8.016 -3.548 1.00 0.00 C ATOM 0 H VAL A 21 -5.439 -6.566 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.679 -5.388 -3.207 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.060 -7.277 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.571 -7.494 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.068 -5.839 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.351 -6.206 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.374 -8.900 -4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.104 -7.670 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.999 -8.267 -2.490 1.00 0.00 H new ATOM 301 N VAL A 22 -5.125 -3.591 -4.152 1.00 0.00 N ATOM 302 CA VAL A 22 -5.910 -2.447 -4.598 1.00 0.00 C ATOM 303 C VAL A 22 -5.907 -2.337 -6.118 1.00 0.00 C ATOM 304 O VAL A 22 -4.907 -2.638 -6.770 1.00 0.00 O ATOM 305 CB VAL A 22 -5.376 -1.132 -3.998 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.905 -0.936 -2.586 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.855 -1.119 -4.014 1.00 0.00 C ATOM 0 H VAL A 22 -4.173 -3.617 -4.516 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.930 -2.609 -4.251 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.730 -0.303 -4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.517 -0.002 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.994 -0.898 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.583 -1.767 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.495 -0.183 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.478 -1.956 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.501 -1.209 -5.041 1.00 0.00 H new ATOM 317 N ILE A 23 -7.032 -1.904 -6.677 1.00 0.00 N ATOM 318 CA ILE A 23 -7.159 -1.753 -8.121 1.00 0.00 C ATOM 319 C ILE A 23 -7.314 -0.287 -8.509 1.00 0.00 C ATOM 320 O ILE A 23 -7.937 0.494 -7.791 1.00 0.00 O ATOM 321 CB ILE A 23 -8.360 -2.547 -8.667 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.301 -3.999 -8.188 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.389 -2.485 -10.187 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.654 -4.672 -8.131 1.00 0.00 C ATOM 0 H ILE A 23 -7.869 -1.652 -6.151 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.243 -2.148 -8.561 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.277 -2.097 -8.287 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.650 -4.566 -8.853 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.848 -4.028 -7.197 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.244 -3.051 -10.558 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.475 -1.447 -10.507 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.469 -2.913 -10.586 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.536 -5.698 -7.783 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.302 -4.128 -7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.101 -4.675 -9.125 1.00 0.00 H new ATOM 336 N ALA A 24 -6.743 0.081 -9.652 1.00 0.00 N ATOM 337 CA ALA A 24 -6.821 1.453 -10.138 1.00 0.00 C ATOM 338 C ALA A 24 -8.055 1.657 -11.010 1.00 0.00 C ATOM 339 O ALA A 24 -8.295 0.900 -11.951 1.00 0.00 O ATOM 340 CB ALA A 24 -5.561 1.811 -10.912 1.00 0.00 C ATOM 0 H ALA A 24 -6.222 -0.552 -10.258 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.905 2.114 -9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.633 2.838 -11.269 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.693 1.713 -10.260 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.453 1.138 -11.763 1.00 0.00 H new ATOM 346 N LEU A 25 -8.836 2.684 -10.691 1.00 0.00 N ATOM 347 CA LEU A 25 -10.047 2.988 -11.445 1.00 0.00 C ATOM 348 C LEU A 25 -9.705 3.545 -12.823 1.00 0.00 C ATOM 349 O LEU A 25 -10.392 3.265 -13.805 1.00 0.00 O ATOM 350 CB LEU A 25 -10.911 3.989 -10.677 1.00 0.00 C ATOM 351 CG LEU A 25 -11.290 3.594 -9.250 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.574 4.830 -8.411 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.493 2.662 -9.255 1.00 0.00 C ATOM 0 H LEU A 25 -8.652 3.320 -9.915 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.606 2.062 -11.577 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.382 4.941 -10.640 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.828 4.155 -11.242 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.448 3.064 -8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.842 4.529 -7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.685 5.460 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.399 5.389 -8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.748 2.392 -8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.341 3.165 -9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.253 1.761 -9.819 1.00 0.00 H new ATOM 365 N TYR A 26 -8.638 4.333 -12.888 1.00 0.00 N ATOM 366 CA TYR A 26 -8.204 4.930 -14.146 1.00 0.00 C ATOM 367 C TYR A 26 -6.737 4.615 -14.421 1.00 0.00 C ATOM 368 O TYR A 26 -6.063 3.981 -13.609 1.00 0.00 O ATOM 369 CB TYR A 26 -8.415 6.445 -14.115 1.00 0.00 C ATOM 370 CG TYR A 26 -9.716 6.862 -13.469 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.820 6.992 -12.089 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.843 7.128 -14.238 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.007 7.372 -11.494 1.00 0.00 C ATOM 374 CE2 TYR A 26 -12.034 7.510 -13.651 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.111 7.630 -12.280 1.00 0.00 C ATOM 376 OH TYR A 26 -13.295 8.011 -11.691 1.00 0.00 O ATOM 0 H TYR A 26 -8.057 4.573 -12.085 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.805 4.502 -14.948 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.587 6.908 -13.577 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.386 6.828 -15.135 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.957 6.792 -11.471 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.787 7.034 -15.312 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.071 7.467 -10.420 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.900 7.714 -14.263 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.973 8.155 -12.383 1.00 0.00 H new ATOM 386 N ASP A 27 -6.249 5.062 -15.573 1.00 0.00 N ATOM 387 CA ASP A 27 -4.861 4.831 -15.957 1.00 0.00 C ATOM 388 C ASP A 27 -3.993 6.037 -15.612 1.00 0.00 C ATOM 389 O ASP A 27 -4.089 7.086 -16.249 1.00 0.00 O ATOM 390 CB ASP A 27 -4.767 4.531 -17.454 1.00 0.00 C ATOM 391 CG ASP A 27 -5.143 5.725 -18.308 1.00 0.00 C ATOM 392 OD1 ASP A 27 -6.298 6.189 -18.204 1.00 0.00 O ATOM 393 OD2 ASP A 27 -4.283 6.195 -19.082 1.00 0.00 O ATOM 0 H ASP A 27 -6.794 5.586 -16.257 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.494 3.970 -15.398 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.751 4.220 -17.696 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.422 3.694 -17.696 1.00 0.00 H new ATOM 398 N TYR A 28 -3.148 5.880 -14.599 1.00 0.00 N ATOM 399 CA TYR A 28 -2.265 6.958 -14.167 1.00 0.00 C ATOM 400 C TYR A 28 -0.920 6.880 -14.883 1.00 0.00 C ATOM 401 O TYR A 28 -0.361 5.798 -15.059 1.00 0.00 O ATOM 402 CB TYR A 28 -2.055 6.896 -12.653 1.00 0.00 C ATOM 403 CG TYR A 28 -1.143 7.980 -12.124 1.00 0.00 C ATOM 404 CD1 TYR A 28 -1.597 9.285 -11.975 1.00 0.00 C ATOM 405 CD2 TYR A 28 0.172 7.700 -11.773 1.00 0.00 C ATOM 406 CE1 TYR A 28 -0.767 10.279 -11.492 1.00 0.00 C ATOM 407 CE2 TYR A 28 1.008 8.687 -11.289 1.00 0.00 C ATOM 408 CZ TYR A 28 0.534 9.975 -11.151 1.00 0.00 C ATOM 409 OH TYR A 28 1.363 10.962 -10.669 1.00 0.00 O ATOM 0 H TYR A 28 -3.056 5.018 -14.062 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.737 7.906 -14.423 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.023 6.973 -12.157 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.639 5.923 -12.392 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.615 9.526 -12.241 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.547 6.693 -11.881 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.135 11.288 -11.382 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.027 8.452 -11.020 1.00 0.00 H new ATOM 0 HH TYR A 28 2.245 10.582 -10.475 1.00 0.00 H new ATOM 507 N GLU A 35 7.335 8.826 -8.211 1.00 0.00 N ATOM 508 CA GLU A 35 5.937 8.505 -8.473 1.00 0.00 C ATOM 509 C GLU A 35 5.817 7.235 -9.310 1.00 0.00 C ATOM 510 O GLU A 35 6.602 7.009 -10.232 1.00 0.00 O ATOM 511 CB GLU A 35 5.249 9.668 -9.190 1.00 0.00 C ATOM 512 CG GLU A 35 4.988 10.867 -8.294 1.00 0.00 C ATOM 513 CD GLU A 35 4.845 12.159 -9.075 1.00 0.00 C ATOM 514 OE1 GLU A 35 4.354 12.109 -10.221 1.00 0.00 O ATOM 515 OE2 GLU A 35 5.226 13.221 -8.538 1.00 0.00 O ATOM 0 HA GLU A 35 5.445 8.336 -7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.867 9.982 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.302 9.320 -9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.080 10.693 -7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.805 10.967 -7.580 1.00 0.00 H new ATOM 522 N LEU A 36 4.831 6.408 -8.982 1.00 0.00 N ATOM 523 CA LEU A 36 4.608 5.159 -9.702 1.00 0.00 C ATOM 524 C LEU A 36 3.457 5.301 -10.693 1.00 0.00 C ATOM 525 O LEU A 36 2.525 6.074 -10.472 1.00 0.00 O ATOM 526 CB LEU A 36 4.312 4.026 -8.718 1.00 0.00 C ATOM 527 CG LEU A 36 4.028 2.657 -9.337 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.268 2.119 -10.034 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.545 1.681 -8.274 1.00 0.00 C ATOM 0 H LEU A 36 4.173 6.580 -8.222 1.00 0.00 H new ATOM 0 HA LEU A 36 5.515 4.921 -10.258 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.161 3.928 -8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.453 4.313 -8.111 1.00 0.00 H new ATOM 0 HG LEU A 36 3.240 2.772 -10.081 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.047 1.144 -10.468 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.570 2.808 -10.823 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.077 2.019 -9.311 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.348 0.712 -8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.311 1.570 -7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.630 2.061 -7.820 1.00 0.00 H new ATOM 541 N ALA A 37 3.528 4.547 -11.786 1.00 0.00 N ATOM 542 CA ALA A 37 2.490 4.585 -12.809 1.00 0.00 C ATOM 543 C ALA A 37 1.519 3.421 -12.649 1.00 0.00 C ATOM 544 O ALA A 37 1.922 2.257 -12.660 1.00 0.00 O ATOM 545 CB ALA A 37 3.115 4.567 -14.196 1.00 0.00 C ATOM 0 H ALA A 37 4.293 3.903 -11.985 1.00 0.00 H new ATOM 0 HA ALA A 37 1.929 5.511 -12.688 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.328 4.596 -14.950 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.763 5.435 -14.314 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.702 3.657 -14.319 1.00 0.00 H new ATOM 551 N LEU A 38 0.238 3.741 -12.500 1.00 0.00 N ATOM 552 CA LEU A 38 -0.792 2.721 -12.337 1.00 0.00 C ATOM 553 C LEU A 38 -1.376 2.316 -13.687 1.00 0.00 C ATOM 554 O LEU A 38 -0.996 2.857 -14.726 1.00 0.00 O ATOM 555 CB LEU A 38 -1.904 3.232 -11.420 1.00 0.00 C ATOM 556 CG LEU A 38 -1.497 3.537 -9.978 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.721 3.862 -9.135 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.732 2.366 -9.380 1.00 0.00 C ATOM 0 H LEU A 38 -0.112 4.699 -12.489 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.331 1.844 -11.884 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.321 4.139 -11.858 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.702 2.490 -11.402 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.842 4.408 -9.983 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.412 4.076 -8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.228 4.733 -9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.401 3.010 -9.138 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.451 2.601 -8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.363 1.477 -9.389 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.166 2.179 -9.969 1.00 0.00 H new ATOM 570 N ARG A 39 -2.302 1.364 -13.663 1.00 0.00 N ATOM 571 CA ARG A 39 -2.940 0.888 -14.885 1.00 0.00 C ATOM 572 C ARG A 39 -4.433 0.663 -14.667 1.00 0.00 C ATOM 573 O ARG A 39 -4.848 0.144 -13.631 1.00 0.00 O ATOM 574 CB ARG A 39 -2.282 -0.410 -15.357 1.00 0.00 C ATOM 575 CG ARG A 39 -2.883 -0.968 -16.636 1.00 0.00 C ATOM 576 CD ARG A 39 -2.592 -0.068 -17.827 1.00 0.00 C ATOM 577 NE ARG A 39 -2.954 -0.701 -19.093 1.00 0.00 N ATOM 578 CZ ARG A 39 -2.197 -1.605 -19.705 1.00 0.00 C ATOM 579 NH1 ARG A 39 -1.043 -1.980 -19.170 1.00 0.00 N ATOM 580 NH2 ARG A 39 -2.594 -2.136 -20.854 1.00 0.00 N ATOM 0 H ARG A 39 -2.628 0.907 -12.811 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.813 1.652 -15.652 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.218 -0.232 -15.513 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.368 -1.158 -14.569 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.481 -1.964 -16.824 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.961 -1.077 -16.516 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.143 0.866 -17.718 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.532 0.186 -17.839 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.836 -0.434 -19.531 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.735 -1.574 -18.286 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.464 -2.674 -19.642 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.481 -1.850 -21.268 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.012 -2.830 -21.323 1.00 0.00 H new ATOM 594 N ARG A 40 -5.236 1.059 -15.650 1.00 0.00 N ATOM 595 CA ARG A 40 -6.683 0.903 -15.565 1.00 0.00 C ATOM 596 C ARG A 40 -7.071 -0.573 -15.569 1.00 0.00 C ATOM 597 O ARG A 40 -6.740 -1.310 -16.497 1.00 0.00 O ATOM 598 CB ARG A 40 -7.364 1.624 -16.729 1.00 0.00 C ATOM 599 CG ARG A 40 -8.882 1.581 -16.667 1.00 0.00 C ATOM 600 CD ARG A 40 -9.509 2.406 -17.780 1.00 0.00 C ATOM 601 NE ARG A 40 -9.696 1.626 -19.001 1.00 0.00 N ATOM 602 CZ ARG A 40 -10.158 2.138 -20.136 1.00 0.00 C ATOM 603 NH1 ARG A 40 -10.478 3.423 -20.206 1.00 0.00 N ATOM 604 NH2 ARG A 40 -10.300 1.364 -21.205 1.00 0.00 N ATOM 0 H ARG A 40 -4.908 1.490 -16.514 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.017 1.346 -14.627 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.039 2.664 -16.741 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.034 1.176 -17.666 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.221 0.548 -16.743 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.218 1.956 -15.701 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.472 2.793 -17.446 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.876 3.267 -17.993 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.459 0.634 -18.981 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.370 4.021 -19.387 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.833 3.813 -21.079 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.054 0.375 -21.155 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.655 1.758 -22.076 1.00 0.00 H new ATOM 618 N ASN A 41 -7.776 -0.997 -14.525 1.00 0.00 N ATOM 619 CA ASN A 41 -8.208 -2.385 -14.407 1.00 0.00 C ATOM 620 C ASN A 41 -7.030 -3.296 -14.076 1.00 0.00 C ATOM 621 O ASN A 41 -6.851 -4.344 -14.696 1.00 0.00 O ATOM 622 CB ASN A 41 -8.874 -2.845 -15.706 1.00 0.00 C ATOM 623 CG ASN A 41 -9.808 -1.797 -16.280 1.00 0.00 C ATOM 624 OD1 ASN A 41 -10.362 -0.976 -15.548 1.00 0.00 O ATOM 625 ND2 ASN A 41 -9.986 -1.820 -17.596 1.00 0.00 N ATOM 0 H ASN A 41 -8.060 -0.399 -13.749 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.931 -2.447 -13.594 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.105 -3.084 -16.441 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.432 -3.762 -15.520 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.602 -1.139 -18.039 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.506 -2.519 -18.163 1.00 0.00 H new ATOM 632 N GLU A 42 -6.231 -2.888 -13.096 1.00 0.00 N ATOM 633 CA GLU A 42 -5.070 -3.668 -12.683 1.00 0.00 C ATOM 634 C GLU A 42 -4.916 -3.652 -11.165 1.00 0.00 C ATOM 635 O GLU A 42 -5.137 -2.628 -10.519 1.00 0.00 O ATOM 636 CB GLU A 42 -3.801 -3.123 -13.341 1.00 0.00 C ATOM 637 CG GLU A 42 -3.540 -3.693 -14.725 1.00 0.00 C ATOM 638 CD GLU A 42 -3.369 -5.199 -14.713 1.00 0.00 C ATOM 639 OE1 GLU A 42 -2.677 -5.710 -13.807 1.00 0.00 O ATOM 640 OE2 GLU A 42 -3.926 -5.868 -15.608 1.00 0.00 O ATOM 0 H GLU A 42 -6.366 -2.023 -12.573 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.223 -4.698 -13.005 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.876 -2.038 -13.412 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.947 -3.342 -12.700 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.368 -3.430 -15.384 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.643 -3.233 -15.140 1.00 0.00 H new ATOM 647 N GLU A 43 -4.535 -4.795 -10.603 1.00 0.00 N ATOM 648 CA GLU A 43 -4.352 -4.913 -9.161 1.00 0.00 C ATOM 649 C GLU A 43 -2.956 -4.454 -8.750 1.00 0.00 C ATOM 650 O GLU A 43 -2.012 -4.521 -9.537 1.00 0.00 O ATOM 651 CB GLU A 43 -4.579 -6.358 -8.712 1.00 0.00 C ATOM 652 CG GLU A 43 -6.045 -6.742 -8.612 1.00 0.00 C ATOM 653 CD GLU A 43 -6.245 -8.221 -8.348 1.00 0.00 C ATOM 654 OE1 GLU A 43 -6.167 -9.011 -9.312 1.00 0.00 O ATOM 655 OE2 GLU A 43 -6.479 -8.590 -7.178 1.00 0.00 O ATOM 0 H GLU A 43 -4.347 -5.652 -11.124 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.085 -4.270 -8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.084 -7.029 -9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.106 -6.506 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.513 -6.168 -7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.552 -6.471 -9.538 1.00 0.00 H new ATOM 662 N TYR A 44 -2.834 -3.986 -7.512 1.00 0.00 N ATOM 663 CA TYR A 44 -1.555 -3.513 -6.997 1.00 0.00 C ATOM 664 C TYR A 44 -1.475 -3.697 -5.484 1.00 0.00 C ATOM 665 O TYR A 44 -2.364 -3.266 -4.748 1.00 0.00 O ATOM 666 CB TYR A 44 -1.351 -2.039 -7.354 1.00 0.00 C ATOM 667 CG TYR A 44 -1.214 -1.790 -8.839 1.00 0.00 C ATOM 668 CD1 TYR A 44 -2.328 -1.784 -9.668 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.031 -1.561 -9.413 1.00 0.00 C ATOM 670 CE1 TYR A 44 -2.208 -1.557 -11.026 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.161 -1.332 -10.769 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.961 -1.331 -11.571 1.00 0.00 C ATOM 673 OH TYR A 44 -0.836 -1.105 -12.923 1.00 0.00 O ATOM 0 H TYR A 44 -3.605 -3.924 -6.847 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.765 -4.105 -7.459 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.193 -1.462 -6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.458 -1.671 -6.848 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.306 -1.960 -9.244 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.912 -1.562 -8.788 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.085 -1.557 -11.656 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.136 -1.155 -11.199 1.00 0.00 H new ATOM 0 HH TYR A 44 0.108 -0.963 -13.145 1.00 0.00 H new ATOM 683 N CYS A 45 -0.406 -4.339 -5.029 1.00 0.00 N ATOM 684 CA CYS A 45 -0.208 -4.581 -3.604 1.00 0.00 C ATOM 685 C CYS A 45 0.182 -3.295 -2.883 1.00 0.00 C ATOM 686 O CYS A 45 1.000 -2.517 -3.377 1.00 0.00 O ATOM 687 CB CYS A 45 0.868 -5.646 -3.391 1.00 0.00 C ATOM 688 SG CYS A 45 0.676 -6.593 -1.862 1.00 0.00 S ATOM 0 H CYS A 45 0.338 -4.702 -5.626 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.150 -4.938 -3.187 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.855 -6.334 -4.236 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.846 -5.164 -3.387 1.00 0.00 H new ATOM 0 HG CYS A 45 1.631 -7.470 -1.772 1.00 0.00 H new ATOM 694 N LEU A 46 -0.408 -3.076 -1.713 1.00 0.00 N ATOM 695 CA LEU A 46 -0.123 -1.882 -0.924 1.00 0.00 C ATOM 696 C LEU A 46 1.069 -2.112 -0.001 1.00 0.00 C ATOM 697 O LEU A 46 0.974 -2.848 0.983 1.00 0.00 O ATOM 698 CB LEU A 46 -1.350 -1.486 -0.102 1.00 0.00 C ATOM 699 CG LEU A 46 -1.141 -0.368 0.921 1.00 0.00 C ATOM 700 CD1 LEU A 46 -0.896 0.958 0.219 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.339 -0.267 1.853 1.00 0.00 C ATOM 0 H LEU A 46 -1.086 -3.709 -1.290 1.00 0.00 H new ATOM 0 HA LEU A 46 0.123 -1.072 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.139 -1.180 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.711 -2.370 0.424 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.261 -0.608 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.749 1.742 0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.006 0.880 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.756 1.205 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.173 0.533 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.235 -0.051 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.469 -1.211 2.382 1.00 0.00 H new ATOM 713 N LEU A 47 2.191 -1.477 -0.322 1.00 0.00 N ATOM 714 CA LEU A 47 3.402 -1.609 0.480 1.00 0.00 C ATOM 715 C LEU A 47 3.233 -0.936 1.838 1.00 0.00 C ATOM 716 O LEU A 47 3.167 -1.605 2.870 1.00 0.00 O ATOM 717 CB LEU A 47 4.595 -1.000 -0.259 1.00 0.00 C ATOM 718 CG LEU A 47 4.921 -1.607 -1.624 1.00 0.00 C ATOM 719 CD1 LEU A 47 5.972 -0.775 -2.341 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.391 -3.046 -1.470 1.00 0.00 C ATOM 0 H LEU A 47 2.287 -0.865 -1.133 1.00 0.00 H new ATOM 0 HA LEU A 47 3.586 -2.671 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.408 0.065 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.476 -1.092 0.377 1.00 0.00 H new ATOM 0 HG LEU A 47 4.013 -1.605 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.191 -1.222 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.598 0.238 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.882 -0.744 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.618 -3.462 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.286 -3.072 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.605 -3.637 -0.999 1.00 0.00 H new ATOM 732 N ASP A 48 3.160 0.390 1.830 1.00 0.00 N ATOM 733 CA ASP A 48 2.995 1.154 3.061 1.00 0.00 C ATOM 734 C ASP A 48 1.842 2.145 2.935 1.00 0.00 C ATOM 735 O ASP A 48 1.420 2.484 1.829 1.00 0.00 O ATOM 736 CB ASP A 48 4.287 1.898 3.403 1.00 0.00 C ATOM 737 CG ASP A 48 4.452 2.117 4.894 1.00 0.00 C ATOM 738 OD1 ASP A 48 3.428 2.323 5.580 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.603 2.082 5.375 1.00 0.00 O ATOM 0 H ASP A 48 3.212 0.958 0.985 1.00 0.00 H new ATOM 0 HA ASP A 48 2.764 0.455 3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.139 1.333 3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.293 2.862 2.894 1.00 0.00 H new ATOM 744 N SER A 49 1.336 2.605 4.075 1.00 0.00 N ATOM 745 CA SER A 49 0.228 3.553 4.092 1.00 0.00 C ATOM 746 C SER A 49 0.559 4.760 4.965 1.00 0.00 C ATOM 747 O SER A 49 -0.317 5.326 5.618 1.00 0.00 O ATOM 748 CB SER A 49 -1.044 2.874 4.602 1.00 0.00 C ATOM 749 OG SER A 49 -0.911 2.496 5.961 1.00 0.00 O ATOM 0 H SER A 49 1.676 2.337 4.999 1.00 0.00 H new ATOM 0 HA SER A 49 0.062 3.899 3.072 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.891 3.551 4.491 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.258 1.994 3.996 1.00 0.00 H new ATOM 0 HG SER A 49 -1.738 2.066 6.263 1.00 0.00 H new ATOM 755 N SER A 50 1.831 5.147 4.970 1.00 0.00 N ATOM 756 CA SER A 50 2.280 6.284 5.766 1.00 0.00 C ATOM 757 C SER A 50 1.350 7.478 5.580 1.00 0.00 C ATOM 758 O SER A 50 0.982 8.148 6.545 1.00 0.00 O ATOM 759 CB SER A 50 3.709 6.671 5.379 1.00 0.00 C ATOM 760 OG SER A 50 3.802 6.959 3.995 1.00 0.00 O ATOM 0 H SER A 50 2.568 4.691 4.433 1.00 0.00 H new ATOM 0 HA SER A 50 2.262 5.991 6.816 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.023 7.541 5.956 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.390 5.858 5.631 1.00 0.00 H new ATOM 0 HG SER A 50 4.724 7.205 3.773 1.00 0.00 H new ATOM 766 N GLU A 51 0.973 7.739 4.332 1.00 0.00 N ATOM 767 CA GLU A 51 0.086 8.853 4.019 1.00 0.00 C ATOM 768 C GLU A 51 -1.307 8.353 3.649 1.00 0.00 C ATOM 769 O GLU A 51 -1.577 7.152 3.688 1.00 0.00 O ATOM 770 CB GLU A 51 0.663 9.686 2.872 1.00 0.00 C ATOM 771 CG GLU A 51 1.582 10.804 3.333 1.00 0.00 C ATOM 772 CD GLU A 51 2.019 11.707 2.196 1.00 0.00 C ATOM 773 OE1 GLU A 51 2.586 11.190 1.211 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.793 12.932 2.292 1.00 0.00 O ATOM 0 H GLU A 51 1.268 7.194 3.522 1.00 0.00 H new ATOM 0 HA GLU A 51 0.003 9.479 4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.214 9.029 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.158 10.116 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.072 11.400 4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.463 10.372 3.808 1.00 0.00 H new ATOM 781 N ILE A 52 -2.187 9.281 3.290 1.00 0.00 N ATOM 782 CA ILE A 52 -3.551 8.935 2.912 1.00 0.00 C ATOM 783 C ILE A 52 -3.786 9.168 1.424 1.00 0.00 C ATOM 784 O ILE A 52 -4.187 8.259 0.697 1.00 0.00 O ATOM 785 CB ILE A 52 -4.582 9.748 3.717 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.417 9.483 5.215 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.994 9.408 3.266 1.00 0.00 C ATOM 788 CD1 ILE A 52 -5.278 10.372 6.084 1.00 0.00 C ATOM 0 H ILE A 52 -1.979 10.279 3.253 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.681 7.876 3.136 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.409 10.808 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.662 8.441 5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.371 9.625 5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.711 9.991 3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.105 9.644 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.180 8.345 3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.109 10.129 7.133 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.018 11.416 5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.328 10.213 5.839 1.00 0.00 H new ATOM 800 N HIS A 53 -3.532 10.394 0.975 1.00 0.00 N ATOM 801 CA HIS A 53 -3.713 10.747 -0.428 1.00 0.00 C ATOM 802 C HIS A 53 -2.676 10.048 -1.303 1.00 0.00 C ATOM 803 O HIS A 53 -2.975 9.627 -2.420 1.00 0.00 O ATOM 804 CB HIS A 53 -3.614 12.262 -0.612 1.00 0.00 C ATOM 805 CG HIS A 53 -4.215 13.042 0.517 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.558 13.347 0.590 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.648 13.579 1.623 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.791 14.039 1.691 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.648 14.193 2.336 1.00 0.00 N ATOM 0 H HIS A 53 -3.200 11.159 1.563 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.705 10.415 -0.735 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.565 12.539 -0.717 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.112 12.540 -1.541 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.604 13.533 1.894 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.752 14.415 2.010 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.528 14.688 3.220 1.00 0.00 H new ATOM 818 N TRP A 54 -1.458 9.930 -0.787 1.00 0.00 N ATOM 819 CA TRP A 54 -0.376 9.284 -1.522 1.00 0.00 C ATOM 820 C TRP A 54 0.057 7.996 -0.830 1.00 0.00 C ATOM 821 O TRP A 54 0.690 8.030 0.225 1.00 0.00 O ATOM 822 CB TRP A 54 0.816 10.232 -1.655 1.00 0.00 C ATOM 823 CG TRP A 54 0.451 11.569 -2.225 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.346 12.749 -1.545 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.141 11.862 -3.592 1.00 0.00 C ATOM 826 NE1 TRP A 54 -0.011 13.758 -2.407 1.00 0.00 N ATOM 827 CE2 TRP A 54 -0.142 13.240 -3.669 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.076 11.095 -4.758 1.00 0.00 C ATOM 829 CZ2 TRP A 54 -0.485 13.863 -4.865 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.264 11.715 -5.945 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.541 13.088 -5.992 1.00 0.00 C ATOM 0 H TRP A 54 -1.195 10.273 0.137 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.744 9.035 -2.517 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.269 10.375 -0.674 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.571 9.768 -2.290 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.518 12.871 -0.486 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.155 14.734 -2.149 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.288 10.036 -4.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.700 14.921 -4.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.317 11.132 -6.852 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.804 13.543 -6.935 1.00 0.00 H new ATOM 842 N TRP A 55 -0.287 6.862 -1.431 1.00 0.00 N ATOM 843 CA TRP A 55 0.068 5.563 -0.871 1.00 0.00 C ATOM 844 C TRP A 55 1.229 4.939 -1.637 1.00 0.00 C ATOM 845 O TRP A 55 1.474 5.279 -2.795 1.00 0.00 O ATOM 846 CB TRP A 55 -1.140 4.625 -0.900 1.00 0.00 C ATOM 847 CG TRP A 55 -2.009 4.739 0.316 1.00 0.00 C ATOM 848 CD1 TRP A 55 -1.860 5.617 1.351 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.160 3.945 0.624 1.00 0.00 C ATOM 850 NE1 TRP A 55 -2.849 5.417 2.284 1.00 0.00 N ATOM 851 CE2 TRP A 55 -3.660 4.398 1.861 1.00 0.00 C ATOM 852 CE3 TRP A 55 -3.819 2.898 -0.025 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -4.785 3.837 2.459 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -4.936 2.342 0.570 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.410 2.813 1.801 1.00 0.00 C ATOM 0 H TRP A 55 -0.811 6.816 -2.305 1.00 0.00 H new ATOM 0 HA TRP A 55 0.378 5.714 0.163 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.737 4.840 -1.786 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -0.791 3.597 -0.993 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.079 6.360 1.426 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.961 5.942 3.151 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.462 2.529 -0.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.152 4.197 3.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.452 1.531 0.078 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.286 2.359 2.240 1.00 0.00 H new ATOM 866 N ARG A 56 1.940 4.026 -0.985 1.00 0.00 N ATOM 867 CA ARG A 56 3.077 3.356 -1.605 1.00 0.00 C ATOM 868 C ARG A 56 2.709 1.935 -2.022 1.00 0.00 C ATOM 869 O ARG A 56 2.345 1.106 -1.188 1.00 0.00 O ATOM 870 CB ARG A 56 4.265 3.324 -0.643 1.00 0.00 C ATOM 871 CG ARG A 56 5.604 3.125 -1.334 1.00 0.00 C ATOM 872 CD ARG A 56 6.720 2.887 -0.329 1.00 0.00 C ATOM 873 NE ARG A 56 7.964 2.481 -0.979 1.00 0.00 N ATOM 874 CZ ARG A 56 9.135 2.423 -0.354 1.00 0.00 C ATOM 875 NH1 ARG A 56 9.221 2.744 0.930 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.222 2.044 -1.013 1.00 0.00 N ATOM 0 H ARG A 56 1.749 3.733 -0.027 1.00 0.00 H new ATOM 0 HA ARG A 56 3.355 3.918 -2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.291 4.257 -0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.115 2.521 0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.540 2.277 -2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.837 4.002 -1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.891 3.798 0.245 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.413 2.117 0.379 1.00 0.00 H new ATOM 0 HE ARG A 56 7.932 2.228 -1.967 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.387 3.036 1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.121 2.699 1.408 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.159 1.797 -2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.120 2.000 -0.532 1.00 0.00 H new ATOM 890 N VAL A 57 2.804 1.661 -3.320 1.00 0.00 N ATOM 891 CA VAL A 57 2.482 0.341 -3.848 1.00 0.00 C ATOM 892 C VAL A 57 3.603 -0.184 -4.738 1.00 0.00 C ATOM 893 O VAL A 57 4.599 0.503 -4.967 1.00 0.00 O ATOM 894 CB VAL A 57 1.170 0.364 -4.654 1.00 0.00 C ATOM 895 CG1 VAL A 57 0.017 0.841 -3.784 1.00 0.00 C ATOM 896 CG2 VAL A 57 1.318 1.242 -5.887 1.00 0.00 C ATOM 0 H VAL A 57 3.101 2.336 -4.025 1.00 0.00 H new ATOM 0 HA VAL A 57 2.362 -0.322 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 57 0.948 -0.651 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.902 0.851 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.101 0.167 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.227 1.847 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.382 1.247 -6.445 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.564 2.259 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.115 0.850 -6.519 1.00 0.00 H new ATOM 906 N GLN A 58 3.434 -1.404 -5.237 1.00 0.00 N ATOM 907 CA GLN A 58 4.432 -2.020 -6.102 1.00 0.00 C ATOM 908 C GLN A 58 3.773 -2.683 -7.308 1.00 0.00 C ATOM 909 O GLN A 58 3.055 -3.673 -7.169 1.00 0.00 O ATOM 910 CB GLN A 58 5.248 -3.052 -5.321 1.00 0.00 C ATOM 911 CG GLN A 58 6.279 -3.780 -6.168 1.00 0.00 C ATOM 912 CD GLN A 58 7.153 -4.711 -5.351 1.00 0.00 C ATOM 913 OE1 GLN A 58 6.814 -5.877 -5.144 1.00 0.00 O ATOM 914 NE2 GLN A 58 8.285 -4.201 -4.881 1.00 0.00 N ATOM 0 H GLN A 58 2.615 -1.985 -5.057 1.00 0.00 H new ATOM 0 HA GLN A 58 5.099 -1.236 -6.460 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.755 -2.552 -4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.569 -3.783 -4.882 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.769 -4.353 -6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.908 -3.049 -6.675 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.527 -3.230 -5.077 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.913 -4.781 -4.324 1.00 0.00 H new ATOM 923 N ASP A 59 4.022 -2.129 -8.490 1.00 0.00 N ATOM 924 CA ASP A 59 3.454 -2.666 -9.721 1.00 0.00 C ATOM 925 C ASP A 59 3.875 -4.118 -9.925 1.00 0.00 C ATOM 926 O ASP A 59 4.964 -4.522 -9.518 1.00 0.00 O ATOM 927 CB ASP A 59 3.889 -1.822 -10.920 1.00 0.00 C ATOM 928 CG ASP A 59 3.340 -0.410 -10.863 1.00 0.00 C ATOM 929 OD1 ASP A 59 2.591 -0.102 -9.913 1.00 0.00 O ATOM 930 OD2 ASP A 59 3.661 0.387 -11.769 1.00 0.00 O ATOM 0 H ASP A 59 4.613 -1.308 -8.621 1.00 0.00 H new ATOM 0 HA ASP A 59 2.368 -2.630 -9.637 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.978 -1.784 -10.958 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.554 -2.302 -11.839 1.00 0.00 H new ATOM 935 N ARG A 60 3.004 -4.898 -10.557 1.00 0.00 N ATOM 936 CA ARG A 60 3.285 -6.306 -10.813 1.00 0.00 C ATOM 937 C ARG A 60 4.661 -6.479 -11.449 1.00 0.00 C ATOM 938 O ARG A 60 5.230 -7.569 -11.434 1.00 0.00 O ATOM 939 CB ARG A 60 2.211 -6.904 -11.724 1.00 0.00 C ATOM 940 CG ARG A 60 2.346 -6.487 -13.180 1.00 0.00 C ATOM 941 CD ARG A 60 1.555 -5.222 -13.472 1.00 0.00 C ATOM 942 NE ARG A 60 1.873 -4.669 -14.786 1.00 0.00 N ATOM 943 CZ ARG A 60 1.048 -3.887 -15.473 1.00 0.00 C ATOM 944 NH1 ARG A 60 -0.137 -3.566 -14.973 1.00 0.00 N ATOM 945 NH2 ARG A 60 1.408 -3.423 -16.663 1.00 0.00 N ATOM 0 H ARG A 60 2.098 -4.579 -10.901 1.00 0.00 H new ATOM 0 HA ARG A 60 3.277 -6.832 -9.858 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.257 -7.991 -11.660 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.229 -6.605 -11.359 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.397 -6.323 -13.417 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.996 -7.293 -13.825 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.489 -5.441 -13.419 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.766 -4.477 -12.705 1.00 0.00 H new ATOM 0 HE ARG A 60 2.778 -4.896 -15.198 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.417 -3.920 -14.058 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.768 -2.965 -15.503 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.319 -3.667 -17.051 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.773 -2.823 -17.190 1.00 0.00 H new ATOM 959 N ASN A 61 5.190 -5.395 -12.008 1.00 0.00 N ATOM 960 CA ASN A 61 6.498 -5.427 -12.650 1.00 0.00 C ATOM 961 C ASN A 61 7.615 -5.376 -11.612 1.00 0.00 C ATOM 962 O ASN A 61 8.546 -6.180 -11.647 1.00 0.00 O ATOM 963 CB ASN A 61 6.640 -4.256 -13.626 1.00 0.00 C ATOM 964 CG ASN A 61 5.863 -4.476 -14.909 1.00 0.00 C ATOM 965 OD1 ASN A 61 5.472 -5.599 -15.227 1.00 0.00 O ATOM 966 ND2 ASN A 61 5.635 -3.400 -15.654 1.00 0.00 N ATOM 0 H ASN A 61 4.732 -4.484 -12.029 1.00 0.00 H new ATOM 0 HA ASN A 61 6.581 -6.363 -13.202 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.292 -3.342 -13.146 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.694 -4.110 -13.863 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.117 -3.486 -16.529 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.978 -2.488 -15.351 1.00 0.00 H new ATOM 973 N GLY A 62 7.515 -4.425 -10.689 1.00 0.00 N ATOM 974 CA GLY A 62 8.522 -4.287 -9.653 1.00 0.00 C ATOM 975 C GLY A 62 8.932 -2.844 -9.431 1.00 0.00 C ATOM 976 O GLY A 62 10.067 -2.566 -9.043 1.00 0.00 O ATOM 0 H GLY A 62 6.754 -3.747 -10.640 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.138 -4.700 -8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.400 -4.873 -9.924 1.00 0.00 H new ATOM 980 N HIS A 63 8.006 -1.923 -9.679 1.00 0.00 N ATOM 981 CA HIS A 63 8.277 -0.500 -9.505 1.00 0.00 C ATOM 982 C HIS A 63 7.335 0.110 -8.472 1.00 0.00 C ATOM 983 O HIS A 63 6.115 0.030 -8.608 1.00 0.00 O ATOM 984 CB HIS A 63 8.136 0.234 -10.839 1.00 0.00 C ATOM 985 CG HIS A 63 8.495 -0.605 -12.026 1.00 0.00 C ATOM 986 ND1 HIS A 63 7.884 -0.470 -13.255 1.00 0.00 N ATOM 987 CD2 HIS A 63 9.409 -1.593 -12.168 1.00 0.00 C ATOM 988 CE1 HIS A 63 8.406 -1.340 -14.101 1.00 0.00 C ATOM 989 NE2 HIS A 63 9.334 -2.033 -13.467 1.00 0.00 N ATOM 0 H HIS A 63 7.062 -2.136 -10.001 1.00 0.00 H new ATOM 0 HA HIS A 63 9.300 -0.391 -9.146 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.108 0.580 -10.947 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.771 1.120 -10.825 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.073 -1.966 -11.403 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.122 -1.463 -15.136 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.903 -2.775 -13.876 1.00 0.00 H new ATOM 998 N GLU A 64 7.911 0.719 -7.440 1.00 0.00 N ATOM 999 CA GLU A 64 7.121 1.341 -6.383 1.00 0.00 C ATOM 1000 C GLU A 64 7.153 2.862 -6.504 1.00 0.00 C ATOM 1001 O GLU A 64 7.938 3.418 -7.271 1.00 0.00 O ATOM 1002 CB GLU A 64 7.643 0.916 -5.009 1.00 0.00 C ATOM 1003 CG GLU A 64 8.040 -0.549 -4.935 1.00 0.00 C ATOM 1004 CD GLU A 64 9.131 -0.807 -3.914 1.00 0.00 C ATOM 1005 OE1 GLU A 64 8.930 -0.466 -2.730 1.00 0.00 O ATOM 1006 OE2 GLU A 64 10.188 -1.350 -4.301 1.00 0.00 O ATOM 0 H GLU A 64 8.920 0.795 -7.313 1.00 0.00 H new ATOM 0 HA GLU A 64 6.089 1.007 -6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.505 1.531 -4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.875 1.114 -4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.164 -1.147 -4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.381 -0.879 -5.916 1.00 0.00 H new ATOM 1013 N GLY A 65 6.294 3.528 -5.739 1.00 0.00 N ATOM 1014 CA GLY A 65 6.239 4.978 -5.775 1.00 0.00 C ATOM 1015 C GLY A 65 5.025 5.530 -5.054 1.00 0.00 C ATOM 1016 O GLY A 65 4.371 4.819 -4.291 1.00 0.00 O ATOM 0 H GLY A 65 5.635 3.090 -5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.143 5.384 -5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.225 5.312 -6.812 1.00 0.00 H new ATOM 1020 N TYR A 66 4.725 6.802 -5.294 1.00 0.00 N ATOM 1021 CA TYR A 66 3.584 7.450 -4.659 1.00 0.00 C ATOM 1022 C TYR A 66 2.452 7.665 -5.659 1.00 0.00 C ATOM 1023 O TYR A 66 2.641 8.289 -6.704 1.00 0.00 O ATOM 1024 CB TYR A 66 4.005 8.790 -4.052 1.00 0.00 C ATOM 1025 CG TYR A 66 4.978 8.655 -2.903 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.694 7.834 -1.819 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.182 9.349 -2.901 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.580 7.708 -0.766 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.075 9.228 -1.854 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.769 8.406 -0.789 1.00 0.00 C ATOM 1031 OH TYR A 66 7.655 8.284 0.257 1.00 0.00 O ATOM 0 H TYR A 66 5.256 7.404 -5.923 1.00 0.00 H new ATOM 0 HA TYR A 66 3.223 6.796 -3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.457 9.406 -4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.116 9.317 -3.705 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.764 7.285 -1.799 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.424 9.994 -3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.343 7.067 0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.007 9.774 -1.869 1.00 0.00 H new ATOM 0 HH TYR A 66 8.443 8.840 0.085 1.00 0.00 H new ATOM 1041 N VAL A 67 1.274 7.144 -5.332 1.00 0.00 N ATOM 1042 CA VAL A 67 0.110 7.280 -6.199 1.00 0.00 C ATOM 1043 C VAL A 67 -1.105 7.766 -5.417 1.00 0.00 C ATOM 1044 O VAL A 67 -1.218 7.562 -4.208 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.236 5.946 -6.887 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.640 5.733 -8.112 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.089 4.789 -5.909 1.00 0.00 C ATOM 0 H VAL A 67 1.100 6.623 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 67 0.367 8.017 -6.960 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.275 5.986 -7.216 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.381 4.786 -8.584 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.480 6.547 -8.819 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.688 5.714 -7.811 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.337 3.854 -6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.939 4.746 -5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.763 4.938 -5.065 1.00 0.00 H new ATOM 1057 N PRO A 68 -2.037 8.424 -6.122 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.262 8.953 -5.514 1.00 0.00 C ATOM 1059 C PRO A 68 -4.222 7.847 -5.090 1.00 0.00 C ATOM 1060 O PRO A 68 -4.824 7.178 -5.930 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.878 9.796 -6.633 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.349 9.200 -7.891 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.968 8.703 -7.566 1.00 0.00 C ATOM 0 HA PRO A 68 -3.055 9.515 -4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.967 9.757 -6.604 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.594 10.844 -6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.986 8.385 -8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.319 9.940 -8.691 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.718 7.809 -8.137 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.208 9.450 -7.795 1.00 0.00 H new ATOM 1071 N SER A 69 -4.362 7.660 -3.781 1.00 0.00 N ATOM 1072 CA SER A 69 -5.247 6.632 -3.246 1.00 0.00 C ATOM 1073 C SER A 69 -6.577 6.617 -3.995 1.00 0.00 C ATOM 1074 O SER A 69 -7.187 5.564 -4.178 1.00 0.00 O ATOM 1075 CB SER A 69 -5.492 6.866 -1.754 1.00 0.00 C ATOM 1076 OG SER A 69 -6.400 7.934 -1.547 1.00 0.00 O ATOM 0 H SER A 69 -3.874 8.207 -3.072 1.00 0.00 H new ATOM 0 HA SER A 69 -4.763 5.665 -3.380 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.886 5.957 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.547 7.087 -1.257 1.00 0.00 H new ATOM 0 HG SER A 69 -6.541 8.062 -0.586 1.00 0.00 H new ATOM 1082 N SER A 70 -7.020 7.794 -4.424 1.00 0.00 N ATOM 1083 CA SER A 70 -8.279 7.919 -5.150 1.00 0.00 C ATOM 1084 C SER A 70 -8.403 6.832 -6.213 1.00 0.00 C ATOM 1085 O SER A 70 -9.399 6.111 -6.267 1.00 0.00 O ATOM 1086 CB SER A 70 -8.383 9.299 -5.800 1.00 0.00 C ATOM 1087 OG SER A 70 -9.565 9.411 -6.574 1.00 0.00 O ATOM 0 H SER A 70 -6.526 8.675 -4.282 1.00 0.00 H new ATOM 0 HA SER A 70 -9.095 7.800 -4.437 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.375 10.069 -5.029 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.513 9.473 -6.433 1.00 0.00 H new ATOM 0 HG SER A 70 -9.608 10.303 -6.978 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.384 6.721 -7.058 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.378 5.725 -8.123 1.00 0.00 C ATOM 1095 C TYR A 71 -7.448 4.313 -7.548 1.00 0.00 C ATOM 1096 O TYR A 71 -8.204 3.470 -8.032 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.123 5.875 -8.983 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.194 7.025 -9.962 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.640 8.278 -9.561 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.816 6.859 -11.289 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.707 9.332 -10.452 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.879 7.907 -12.186 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.325 9.141 -11.763 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.391 10.188 -12.654 1.00 0.00 O ATOM 0 H TYR A 71 -6.551 7.309 -7.026 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.258 5.889 -8.745 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.261 6.016 -8.331 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.958 4.949 -9.534 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.940 8.431 -8.535 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.467 5.894 -11.625 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.056 10.300 -10.123 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.580 7.761 -13.214 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.085 9.887 -13.535 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.656 4.063 -6.512 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.627 2.754 -5.869 1.00 0.00 C ATOM 1116 C LEU A 72 -7.964 2.445 -5.203 1.00 0.00 C ATOM 1117 O LEU A 72 -8.678 3.349 -4.770 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.504 2.698 -4.832 1.00 0.00 C ATOM 1119 CG LEU A 72 -4.085 2.899 -5.367 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -3.073 2.828 -4.235 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.767 1.864 -6.436 1.00 0.00 C ATOM 0 H LEU A 72 -6.025 4.750 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.442 2.003 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.697 3.459 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.548 1.731 -4.330 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.024 3.889 -5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.069 2.973 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.289 3.608 -3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.134 1.852 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.754 2.022 -6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.846 0.864 -6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.473 1.963 -7.260 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.297 1.160 -5.124 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.547 0.731 -4.509 1.00 0.00 C ATOM 1135 C VAL A 73 -9.394 -0.636 -3.851 1.00 0.00 C ATOM 1136 O VAL A 73 -8.869 -1.571 -4.455 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.688 0.667 -5.541 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.607 1.845 -6.500 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.647 -0.651 -6.299 1.00 0.00 C ATOM 0 H VAL A 73 -7.718 0.399 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.796 1.472 -3.749 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.638 0.726 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.421 1.783 -7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.689 2.776 -5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.653 1.821 -7.026 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.460 -0.679 -7.024 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.694 -0.742 -6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.758 -1.478 -5.597 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.858 -0.745 -2.610 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.773 -1.998 -1.870 1.00 0.00 C ATOM 1151 C GLU A 74 -10.669 -3.063 -2.498 1.00 0.00 C ATOM 1152 O GLU A 74 -11.895 -2.958 -2.463 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.167 -1.782 -0.408 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.505 -2.755 0.552 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.190 -2.799 1.904 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.327 -1.730 2.534 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -10.589 -3.902 2.332 1.00 0.00 O ATOM 0 H GLU A 74 -10.297 0.019 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.741 -2.345 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.907 -0.764 -0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.249 -1.873 -0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.511 -3.753 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.461 -2.472 0.687 1.00 0.00 H new ATOM 1164 N LYS A 75 -10.047 -4.087 -3.072 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.786 -5.172 -3.708 1.00 0.00 C ATOM 1166 C LYS A 75 -11.916 -5.661 -2.808 1.00 0.00 C ATOM 1167 O LYS A 75 -11.679 -6.109 -1.686 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.844 -6.332 -4.039 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.560 -7.565 -4.562 1.00 0.00 C ATOM 1170 CD LYS A 75 -10.700 -7.530 -6.074 1.00 0.00 C ATOM 1171 CE LYS A 75 -11.156 -8.873 -6.624 1.00 0.00 C ATOM 1172 NZ LYS A 75 -11.773 -8.740 -7.972 1.00 0.00 N ATOM 0 H LYS A 75 -9.033 -4.189 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.221 -4.790 -4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.119 -6.000 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.283 -6.600 -3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.010 -8.459 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.548 -7.634 -4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.416 -6.758 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.745 -7.258 -6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.304 -9.551 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.875 -9.321 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.070 -9.677 -8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.601 -8.114 -7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.079 -8.336 -8.633 1.00 0.00 H new