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 25:sc= 0.0375 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 173:sc= 0.404 USER MOD Single : A 41 ASN : amide:sc= -2.54 K(o=-2.5,f=-8.1!) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.463 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= -0.555 X(o=-0.55,f=-0.24) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=1.1) USER MOD Single : A 63 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-0.69) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00113 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 -2.494 -6.314 1.331 1.00 0.00 N ATOM 272 CA THR A 20 -3.600 -5.468 0.901 1.00 0.00 C ATOM 273 C THR A 20 -3.483 -5.120 -0.578 1.00 0.00 C ATOM 274 O THR A 20 -2.658 -4.294 -0.969 1.00 0.00 O ATOM 275 CB THR A 20 -3.661 -4.164 1.720 1.00 0.00 C ATOM 276 OG1 THR A 20 -3.846 -4.465 3.107 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.793 -3.272 1.234 1.00 0.00 C ATOM 0 HA THR A 20 -4.515 -6.036 1.067 1.00 0.00 H new ATOM 0 HB THR A 20 -2.719 -3.633 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.501 -5.363 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.816 -2.358 1.827 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.633 -3.020 0.186 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.742 -3.798 1.341 1.00 0.00 H new ATOM 285 N VAL A 21 -4.315 -5.755 -1.398 1.00 0.00 N ATOM 286 CA VAL A 21 -4.306 -5.511 -2.836 1.00 0.00 C ATOM 287 C VAL A 21 -5.323 -4.442 -3.218 1.00 0.00 C ATOM 288 O VAL A 21 -6.467 -4.468 -2.764 1.00 0.00 O ATOM 289 CB VAL A 21 -4.609 -6.799 -3.625 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.717 -6.500 -5.113 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.542 -7.850 -3.360 1.00 0.00 C ATOM 0 H VAL A 21 -5.004 -6.442 -1.091 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.305 -5.164 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.567 -7.195 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.931 -7.421 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.521 -5.784 -5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.776 -6.080 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.772 -8.753 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.569 -7.467 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.519 -8.084 -2.296 1.00 0.00 H new ATOM 301 N VAL A 22 -4.899 -3.503 -4.057 1.00 0.00 N ATOM 302 CA VAL A 22 -5.773 -2.424 -4.503 1.00 0.00 C ATOM 303 C VAL A 22 -5.828 -2.355 -6.025 1.00 0.00 C ATOM 304 O VAL A 22 -4.886 -2.756 -6.709 1.00 0.00 O ATOM 305 CB VAL A 22 -5.309 -1.062 -3.954 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.765 -0.883 -2.514 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.797 -0.931 -4.063 1.00 0.00 C ATOM 0 H VAL A 22 -3.955 -3.467 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.768 -2.643 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.764 -0.274 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.428 0.085 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.853 -0.930 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.341 -1.675 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.486 0.037 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.321 -1.725 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.499 -1.011 -5.108 1.00 0.00 H new ATOM 317 N ILE A 23 -6.937 -1.843 -6.548 1.00 0.00 N ATOM 318 CA ILE A 23 -7.113 -1.720 -7.990 1.00 0.00 C ATOM 319 C ILE A 23 -7.274 -0.260 -8.401 1.00 0.00 C ATOM 320 O ILE A 23 -7.930 0.521 -7.712 1.00 0.00 O ATOM 321 CB ILE A 23 -8.338 -2.516 -8.477 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.427 -3.856 -7.744 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.264 -2.734 -9.981 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.236 -3.793 -6.467 1.00 0.00 C ATOM 0 H ILE A 23 -7.726 -1.507 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.216 -2.129 -8.454 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.237 -1.941 -8.256 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.871 -4.596 -8.410 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.420 -4.201 -7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.137 -3.298 -10.310 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.243 -1.769 -10.488 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.359 -3.291 -10.224 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.257 -4.778 -6.000 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.781 -3.077 -5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.254 -3.479 -6.696 1.00 0.00 H new ATOM 336 N ALA A 24 -6.672 0.101 -9.530 1.00 0.00 N ATOM 337 CA ALA A 24 -6.751 1.466 -10.035 1.00 0.00 C ATOM 338 C ALA A 24 -7.973 1.650 -10.929 1.00 0.00 C ATOM 339 O ALA A 24 -8.189 0.882 -11.868 1.00 0.00 O ATOM 340 CB ALA A 24 -5.481 1.822 -10.793 1.00 0.00 C ATOM 0 H ALA A 24 -6.124 -0.533 -10.112 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.852 2.138 -9.183 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.554 2.844 -11.165 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.623 1.739 -10.125 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.355 1.139 -11.633 1.00 0.00 H new ATOM 346 N LEU A 25 -8.769 2.671 -10.633 1.00 0.00 N ATOM 347 CA LEU A 25 -9.970 2.956 -11.410 1.00 0.00 C ATOM 348 C LEU A 25 -9.610 3.437 -12.812 1.00 0.00 C ATOM 349 O LEU A 25 -10.201 3.001 -13.800 1.00 0.00 O ATOM 350 CB LEU A 25 -10.823 4.009 -10.700 1.00 0.00 C ATOM 351 CG LEU A 25 -11.250 3.675 -9.270 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.500 4.947 -8.477 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.491 2.795 -9.276 1.00 0.00 C ATOM 0 H LEU A 25 -8.604 3.316 -9.860 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.543 2.033 -11.499 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.267 4.946 -10.682 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.720 4.182 -11.295 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.441 3.125 -8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.803 4.689 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.586 5.540 -8.443 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.290 5.525 -8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.781 2.567 -8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.306 3.319 -9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.277 1.867 -9.807 1.00 0.00 H new ATOM 365 N TYR A 26 -8.636 4.337 -12.891 1.00 0.00 N ATOM 366 CA TYR A 26 -8.197 4.877 -14.172 1.00 0.00 C ATOM 367 C TYR A 26 -6.696 4.678 -14.362 1.00 0.00 C ATOM 368 O TYR A 26 -5.986 4.303 -13.429 1.00 0.00 O ATOM 369 CB TYR A 26 -8.542 6.365 -14.266 1.00 0.00 C ATOM 370 CG TYR A 26 -9.795 6.745 -13.510 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.739 7.104 -12.169 1.00 0.00 C ATOM 372 CD2 TYR A 26 -11.034 6.748 -14.138 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.881 7.451 -11.475 1.00 0.00 C ATOM 374 CE2 TYR A 26 -12.182 7.095 -13.452 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.100 7.446 -12.120 1.00 0.00 C ATOM 376 OH TYR A 26 -13.240 7.793 -11.432 1.00 0.00 O ATOM 0 H TYR A 26 -8.136 4.708 -12.083 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.719 4.339 -14.963 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.705 6.948 -13.882 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.664 6.635 -15.315 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.786 7.112 -11.661 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.101 6.474 -15.181 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.820 7.725 -10.432 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.138 7.092 -13.955 1.00 0.00 H new ATOM 0 HH TYR A 26 -14.013 7.739 -12.032 1.00 0.00 H new ATOM 386 N ASP A 27 -6.222 4.933 -15.576 1.00 0.00 N ATOM 387 CA ASP A 27 -4.805 4.784 -15.890 1.00 0.00 C ATOM 388 C ASP A 27 -4.043 6.070 -15.586 1.00 0.00 C ATOM 389 O ASP A 27 -4.049 7.010 -16.382 1.00 0.00 O ATOM 390 CB ASP A 27 -4.624 4.404 -17.360 1.00 0.00 C ATOM 391 CG ASP A 27 -3.185 4.536 -17.819 1.00 0.00 C ATOM 392 OD1 ASP A 27 -2.282 4.116 -17.066 1.00 0.00 O ATOM 393 OD2 ASP A 27 -2.963 5.057 -18.931 1.00 0.00 O ATOM 0 H ASP A 27 -6.797 5.244 -16.359 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.401 3.988 -15.265 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.958 3.377 -17.511 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.259 5.039 -17.977 1.00 0.00 H new ATOM 398 N TYR A 28 -3.390 6.106 -14.430 1.00 0.00 N ATOM 399 CA TYR A 28 -2.626 7.278 -14.020 1.00 0.00 C ATOM 400 C TYR A 28 -1.311 7.367 -14.788 1.00 0.00 C ATOM 401 O TYR A 28 -0.626 6.364 -14.986 1.00 0.00 O ATOM 402 CB TYR A 28 -2.350 7.231 -12.516 1.00 0.00 C ATOM 403 CG TYR A 28 -1.557 8.415 -12.009 1.00 0.00 C ATOM 404 CD1 TYR A 28 -1.980 9.716 -12.255 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.386 8.233 -11.284 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.258 10.800 -11.794 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.341 9.311 -10.818 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.099 10.593 -11.076 1.00 0.00 C ATOM 409 OH TYR A 28 0.622 11.670 -10.615 1.00 0.00 O ATOM 0 H TYR A 28 -3.374 5.337 -13.760 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.218 8.165 -14.247 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.299 7.185 -11.982 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.808 6.315 -12.283 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.888 9.882 -12.816 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.038 7.231 -11.081 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.600 11.805 -11.995 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.249 9.151 -10.255 1.00 0.00 H new ATOM 0 HH TYR A 28 1.345 11.355 -10.033 1.00 0.00 H new ATOM 507 N GLU A 35 7.114 9.434 -8.224 1.00 0.00 N ATOM 508 CA GLU A 35 5.770 8.887 -8.373 1.00 0.00 C ATOM 509 C GLU A 35 5.779 7.665 -9.288 1.00 0.00 C ATOM 510 O GLU A 35 6.815 7.300 -9.845 1.00 0.00 O ATOM 511 CB GLU A 35 4.822 9.949 -8.932 1.00 0.00 C ATOM 512 CG GLU A 35 4.433 11.012 -7.918 1.00 0.00 C ATOM 513 CD GLU A 35 3.982 12.304 -8.571 1.00 0.00 C ATOM 514 OE1 GLU A 35 2.821 12.366 -9.026 1.00 0.00 O ATOM 515 OE2 GLU A 35 4.791 13.254 -8.628 1.00 0.00 O ATOM 0 HA GLU A 35 5.419 8.580 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.294 10.431 -9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.919 9.461 -9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.632 10.630 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.283 11.216 -7.267 1.00 0.00 H new ATOM 522 N LEU A 36 4.618 7.037 -9.436 1.00 0.00 N ATOM 523 CA LEU A 36 4.490 5.855 -10.283 1.00 0.00 C ATOM 524 C LEU A 36 3.260 5.957 -11.178 1.00 0.00 C ATOM 525 O LEU A 36 2.262 6.577 -10.810 1.00 0.00 O ATOM 526 CB LEU A 36 4.406 4.594 -9.422 1.00 0.00 C ATOM 527 CG LEU A 36 4.109 3.292 -10.167 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.388 2.697 -10.734 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.418 2.296 -9.246 1.00 0.00 C ATOM 0 H LEU A 36 3.752 7.326 -8.981 1.00 0.00 H new ATOM 0 HA LEU A 36 5.374 5.796 -10.918 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.350 4.478 -8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.632 4.743 -8.669 1.00 0.00 H new ATOM 0 HG LEU A 36 3.438 3.516 -10.996 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.156 1.771 -11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.842 3.405 -11.427 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.084 2.488 -9.921 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.214 1.375 -9.793 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.064 2.078 -8.396 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.480 2.721 -8.889 1.00 0.00 H new ATOM 541 N ALA A 37 3.337 5.343 -12.354 1.00 0.00 N ATOM 542 CA ALA A 37 2.228 5.361 -13.300 1.00 0.00 C ATOM 543 C ALA A 37 1.385 4.096 -13.181 1.00 0.00 C ATOM 544 O ALA A 37 1.845 2.999 -13.501 1.00 0.00 O ATOM 545 CB ALA A 37 2.749 5.519 -14.721 1.00 0.00 C ATOM 0 H ALA A 37 4.156 4.827 -12.675 1.00 0.00 H new ATOM 0 HA ALA A 37 1.592 6.214 -13.061 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.910 5.531 -15.417 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.302 6.454 -14.804 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.408 4.685 -14.962 1.00 0.00 H new ATOM 551 N LEU A 38 0.150 4.256 -12.720 1.00 0.00 N ATOM 552 CA LEU A 38 -0.759 3.126 -12.558 1.00 0.00 C ATOM 553 C LEU A 38 -1.399 2.747 -13.889 1.00 0.00 C ATOM 554 O LEU A 38 -1.187 3.413 -14.903 1.00 0.00 O ATOM 555 CB LEU A 38 -1.844 3.461 -11.534 1.00 0.00 C ATOM 556 CG LEU A 38 -1.361 3.744 -10.111 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.471 4.376 -9.286 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.866 2.465 -9.452 1.00 0.00 C ATOM 0 H LEU A 38 -0.246 5.157 -12.452 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.180 2.275 -12.199 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.394 4.332 -11.889 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.550 2.631 -11.498 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.530 4.448 -10.163 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.109 4.570 -8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.778 5.314 -9.748 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.323 3.697 -9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.526 2.685 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.678 1.739 -9.412 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.039 2.054 -10.031 1.00 0.00 H new ATOM 570 N ARG A 39 -2.184 1.675 -13.879 1.00 0.00 N ATOM 571 CA ARG A 39 -2.857 1.208 -15.085 1.00 0.00 C ATOM 572 C ARG A 39 -4.310 0.849 -14.793 1.00 0.00 C ATOM 573 O ARG A 39 -4.646 0.432 -13.684 1.00 0.00 O ATOM 574 CB ARG A 39 -2.127 -0.005 -15.665 1.00 0.00 C ATOM 575 CG ARG A 39 -2.539 -0.341 -17.088 1.00 0.00 C ATOM 576 CD ARG A 39 -1.416 -1.034 -17.844 1.00 0.00 C ATOM 577 NE ARG A 39 -1.827 -1.436 -19.187 1.00 0.00 N ATOM 578 CZ ARG A 39 -1.985 -0.583 -20.193 1.00 0.00 C ATOM 579 NH1 ARG A 39 -1.768 0.712 -20.009 1.00 0.00 N ATOM 580 NH2 ARG A 39 -2.361 -1.025 -21.386 1.00 0.00 N ATOM 0 H ARG A 39 -2.370 1.113 -13.048 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.841 2.017 -15.816 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.053 0.182 -15.641 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.314 -0.870 -15.028 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.419 -0.984 -17.071 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.822 0.572 -17.611 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.558 -0.365 -17.912 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.091 -1.912 -17.286 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.002 -2.426 -19.362 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.479 1.056 -19.093 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.890 1.365 -20.783 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.529 -2.021 -21.531 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.482 -0.369 -22.158 1.00 0.00 H new ATOM 594 N ARG A 40 -5.168 1.013 -15.795 1.00 0.00 N ATOM 595 CA ARG A 40 -6.586 0.708 -15.644 1.00 0.00 C ATOM 596 C ARG A 40 -6.809 -0.797 -15.529 1.00 0.00 C ATOM 597 O ARG A 40 -6.289 -1.574 -16.329 1.00 0.00 O ATOM 598 CB ARG A 40 -7.377 1.262 -16.831 1.00 0.00 C ATOM 599 CG ARG A 40 -8.872 1.002 -16.741 1.00 0.00 C ATOM 600 CD ARG A 40 -9.663 2.008 -17.562 1.00 0.00 C ATOM 601 NE ARG A 40 -11.087 1.686 -17.599 1.00 0.00 N ATOM 602 CZ ARG A 40 -11.984 2.396 -18.274 1.00 0.00 C ATOM 603 NH1 ARG A 40 -11.606 3.462 -18.965 1.00 0.00 N ATOM 604 NH2 ARG A 40 -13.262 2.039 -18.259 1.00 0.00 N ATOM 0 H ARG A 40 -4.906 1.355 -16.720 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.939 1.181 -14.728 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.207 2.336 -16.900 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.994 0.819 -17.750 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.089 -0.007 -17.093 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.189 1.051 -15.699 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.528 3.005 -17.142 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.271 2.034 -18.579 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.411 0.871 -17.078 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.624 3.739 -18.979 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.297 4.006 -19.483 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.556 1.219 -17.729 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.950 2.585 -18.778 1.00 0.00 H new ATOM 618 N ASN A 41 -7.585 -1.200 -14.529 1.00 0.00 N ATOM 619 CA ASN A 41 -7.876 -2.612 -14.309 1.00 0.00 C ATOM 620 C ASN A 41 -6.608 -3.378 -13.944 1.00 0.00 C ATOM 621 O ASN A 41 -6.419 -4.520 -14.362 1.00 0.00 O ATOM 622 CB ASN A 41 -8.513 -3.224 -15.558 1.00 0.00 C ATOM 623 CG ASN A 41 -9.724 -2.444 -16.030 1.00 0.00 C ATOM 624 OD1 ASN A 41 -9.961 -1.318 -15.591 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.498 -3.040 -16.929 1.00 0.00 N ATOM 0 H ASN A 41 -8.024 -0.569 -13.858 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.577 -2.687 -13.478 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.774 -3.262 -16.358 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.806 -4.252 -15.346 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.327 -2.564 -17.284 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.263 -3.974 -17.265 1.00 0.00 H new ATOM 632 N GLU A 42 -5.742 -2.741 -13.161 1.00 0.00 N ATOM 633 CA GLU A 42 -4.492 -3.363 -12.740 1.00 0.00 C ATOM 634 C GLU A 42 -4.332 -3.291 -11.224 1.00 0.00 C ATOM 635 O GLU A 42 -4.301 -2.206 -10.645 1.00 0.00 O ATOM 636 CB GLU A 42 -3.304 -2.683 -13.423 1.00 0.00 C ATOM 637 CG GLU A 42 -3.085 -3.135 -14.857 1.00 0.00 C ATOM 638 CD GLU A 42 -3.254 -4.632 -15.029 1.00 0.00 C ATOM 639 OE1 GLU A 42 -2.528 -5.392 -14.355 1.00 0.00 O ATOM 640 OE2 GLU A 42 -4.112 -5.044 -15.837 1.00 0.00 O ATOM 0 H GLU A 42 -5.883 -1.795 -12.806 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.520 -4.412 -13.035 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.458 -1.604 -13.411 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.401 -2.883 -12.846 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.788 -2.617 -15.509 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.083 -2.847 -15.176 1.00 0.00 H new ATOM 647 N GLU A 43 -4.231 -4.455 -10.590 1.00 0.00 N ATOM 648 CA GLU A 43 -4.076 -4.524 -9.142 1.00 0.00 C ATOM 649 C GLU A 43 -2.650 -4.169 -8.730 1.00 0.00 C ATOM 650 O GLU A 43 -1.709 -4.334 -9.506 1.00 0.00 O ATOM 651 CB GLU A 43 -4.431 -5.923 -8.634 1.00 0.00 C ATOM 652 CG GLU A 43 -5.880 -6.309 -8.878 1.00 0.00 C ATOM 653 CD GLU A 43 -6.097 -6.929 -10.244 1.00 0.00 C ATOM 654 OE1 GLU A 43 -5.829 -8.140 -10.396 1.00 0.00 O ATOM 655 OE2 GLU A 43 -6.535 -6.204 -11.162 1.00 0.00 O ATOM 0 H GLU A 43 -4.254 -5.362 -11.056 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.757 -3.799 -8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.783 -6.652 -9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.225 -5.975 -7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.199 -7.013 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.509 -5.424 -8.781 1.00 0.00 H new ATOM 662 N TYR A 44 -2.499 -3.679 -7.504 1.00 0.00 N ATOM 663 CA TYR A 44 -1.189 -3.297 -6.990 1.00 0.00 C ATOM 664 C TYR A 44 -1.052 -3.670 -5.517 1.00 0.00 C ATOM 665 O TYR A 44 -1.922 -3.357 -4.702 1.00 0.00 O ATOM 666 CB TYR A 44 -0.965 -1.795 -7.170 1.00 0.00 C ATOM 667 CG TYR A 44 -0.892 -1.363 -8.617 1.00 0.00 C ATOM 668 CD1 TYR A 44 -2.048 -1.164 -9.362 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.333 -1.155 -9.239 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.986 -0.769 -10.685 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.404 -0.759 -10.561 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.758 -0.568 -11.279 1.00 0.00 C ATOM 673 OH TYR A 44 -0.690 -0.175 -12.596 1.00 0.00 O ATOM 0 H TYR A 44 -3.267 -3.537 -6.848 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.432 -3.841 -7.556 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.774 -1.254 -6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.040 -1.511 -6.668 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.011 -1.321 -8.899 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.245 -1.305 -8.680 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.894 -0.619 -11.250 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.364 -0.600 -11.029 1.00 0.00 H new ATOM 0 HH TYR A 44 0.249 -0.077 -12.860 1.00 0.00 H new ATOM 683 N CYS A 45 0.045 -4.340 -5.183 1.00 0.00 N ATOM 684 CA CYS A 45 0.297 -4.757 -3.808 1.00 0.00 C ATOM 685 C CYS A 45 0.667 -3.561 -2.936 1.00 0.00 C ATOM 686 O CYS A 45 1.750 -2.992 -3.072 1.00 0.00 O ATOM 687 CB CYS A 45 1.415 -5.799 -3.766 1.00 0.00 C ATOM 688 SG CYS A 45 1.912 -6.282 -2.096 1.00 0.00 S ATOM 0 H CYS A 45 0.774 -4.606 -5.845 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.618 -5.200 -3.416 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.090 -6.687 -4.308 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.284 -5.405 -4.292 1.00 0.00 H new ATOM 0 HG CYS A 45 2.861 -7.168 -2.165 1.00 0.00 H new ATOM 694 N LEU A 46 -0.241 -3.185 -2.042 1.00 0.00 N ATOM 695 CA LEU A 46 -0.011 -2.055 -1.149 1.00 0.00 C ATOM 696 C LEU A 46 1.101 -2.366 -0.152 1.00 0.00 C ATOM 697 O LEU A 46 1.002 -3.313 0.629 1.00 0.00 O ATOM 698 CB LEU A 46 -1.298 -1.701 -0.400 1.00 0.00 C ATOM 699 CG LEU A 46 -1.448 -0.240 0.024 1.00 0.00 C ATOM 700 CD1 LEU A 46 -2.876 0.045 0.464 1.00 0.00 C ATOM 701 CD2 LEU A 46 -0.468 0.095 1.138 1.00 0.00 C ATOM 0 H LEU A 46 -1.142 -3.646 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 46 0.297 -1.202 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.146 -1.964 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.359 -2.325 0.491 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.222 0.392 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.963 1.090 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.558 -0.155 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.131 -0.596 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.589 1.139 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.663 -0.545 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.551 -0.069 0.788 1.00 0.00 H new ATOM 713 N LEU A 47 2.157 -1.561 -0.183 1.00 0.00 N ATOM 714 CA LEU A 47 3.288 -1.749 0.719 1.00 0.00 C ATOM 715 C LEU A 47 3.041 -1.053 2.054 1.00 0.00 C ATOM 716 O LEU A 47 3.039 -1.691 3.107 1.00 0.00 O ATOM 717 CB LEU A 47 4.570 -1.211 0.081 1.00 0.00 C ATOM 718 CG LEU A 47 4.894 -1.736 -1.318 1.00 0.00 C ATOM 719 CD1 LEU A 47 5.925 -0.847 -1.996 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.391 -3.173 -1.247 1.00 0.00 C ATOM 0 H LEU A 47 2.254 -0.772 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 47 3.401 -2.818 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.500 -0.124 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.406 -1.447 0.739 1.00 0.00 H new ATOM 0 HG LEU A 47 3.981 -1.717 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.143 -1.236 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.532 0.166 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.840 -0.833 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.617 -3.530 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.292 -3.216 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.620 -3.803 -0.803 1.00 0.00 H new ATOM 732 N ASP A 48 2.831 0.258 2.002 1.00 0.00 N ATOM 733 CA ASP A 48 2.579 1.040 3.207 1.00 0.00 C ATOM 734 C ASP A 48 1.591 2.168 2.925 1.00 0.00 C ATOM 735 O ASP A 48 1.607 2.767 1.850 1.00 0.00 O ATOM 736 CB ASP A 48 3.888 1.616 3.750 1.00 0.00 C ATOM 737 CG ASP A 48 4.641 0.625 4.614 1.00 0.00 C ATOM 738 OD1 ASP A 48 4.264 0.458 5.793 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.608 0.015 4.111 1.00 0.00 O ATOM 0 H ASP A 48 2.830 0.801 1.139 1.00 0.00 H new ATOM 0 HA ASP A 48 2.144 0.378 3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.521 1.921 2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.673 2.512 4.332 1.00 0.00 H new ATOM 744 N SER A 49 0.730 2.450 3.898 1.00 0.00 N ATOM 745 CA SER A 49 -0.269 3.502 3.753 1.00 0.00 C ATOM 746 C SER A 49 0.009 4.652 4.718 1.00 0.00 C ATOM 747 O SER A 49 -0.913 5.233 5.290 1.00 0.00 O ATOM 748 CB SER A 49 -1.671 2.941 4.001 1.00 0.00 C ATOM 749 OG SER A 49 -1.784 2.410 5.310 1.00 0.00 O ATOM 0 H SER A 49 0.704 1.965 4.795 1.00 0.00 H new ATOM 0 HA SER A 49 -0.213 3.884 2.734 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.411 3.728 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.889 2.163 3.270 1.00 0.00 H new ATOM 0 HG SER A 49 -2.689 2.060 5.444 1.00 0.00 H new ATOM 755 N SER A 50 1.286 4.973 4.893 1.00 0.00 N ATOM 756 CA SER A 50 1.688 6.050 5.791 1.00 0.00 C ATOM 757 C SER A 50 0.803 7.277 5.596 1.00 0.00 C ATOM 758 O SER A 50 0.168 7.753 6.537 1.00 0.00 O ATOM 759 CB SER A 50 3.153 6.420 5.554 1.00 0.00 C ATOM 760 OG SER A 50 3.742 6.947 6.730 1.00 0.00 O ATOM 0 H SER A 50 2.061 4.503 4.425 1.00 0.00 H new ATOM 0 HA SER A 50 1.572 5.699 6.816 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.706 5.539 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.221 7.152 4.750 1.00 0.00 H new ATOM 0 HG SER A 50 4.679 7.174 6.553 1.00 0.00 H new ATOM 766 N GLU A 51 0.767 7.784 4.368 1.00 0.00 N ATOM 767 CA GLU A 51 -0.039 8.957 4.050 1.00 0.00 C ATOM 768 C GLU A 51 -1.441 8.549 3.604 1.00 0.00 C ATOM 769 O GLU A 51 -1.783 7.366 3.602 1.00 0.00 O ATOM 770 CB GLU A 51 0.635 9.785 2.955 1.00 0.00 C ATOM 771 CG GLU A 51 1.751 10.680 3.468 1.00 0.00 C ATOM 772 CD GLU A 51 1.277 11.649 4.534 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.072 11.977 4.546 1.00 0.00 O ATOM 774 OE2 GLU A 51 2.112 12.080 5.357 1.00 0.00 O ATOM 0 H GLU A 51 1.286 7.401 3.578 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.125 9.562 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.039 9.112 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.117 10.402 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.551 10.061 3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.174 11.241 2.635 1.00 0.00 H new ATOM 781 N ILE A 52 -2.246 9.537 3.228 1.00 0.00 N ATOM 782 CA ILE A 52 -3.609 9.281 2.780 1.00 0.00 C ATOM 783 C ILE A 52 -3.743 9.496 1.276 1.00 0.00 C ATOM 784 O ILE A 52 -4.053 8.566 0.531 1.00 0.00 O ATOM 785 CB ILE A 52 -4.620 10.187 3.508 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.512 9.994 5.022 1.00 0.00 C ATOM 787 CG2 ILE A 52 -6.035 9.892 3.031 1.00 0.00 C ATOM 788 CD1 ILE A 52 -5.349 10.972 5.817 1.00 0.00 C ATOM 0 H ILE A 52 -1.978 10.521 3.225 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.829 8.240 3.017 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.388 11.226 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.818 8.978 5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.468 10.096 5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.738 10.540 3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.103 10.074 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.279 8.850 3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.224 10.776 6.882 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.029 11.990 5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.399 10.855 5.548 1.00 0.00 H new ATOM 800 N HIS A 53 -3.505 10.728 0.836 1.00 0.00 N ATOM 801 CA HIS A 53 -3.597 11.064 -0.580 1.00 0.00 C ATOM 802 C HIS A 53 -2.615 10.233 -1.401 1.00 0.00 C ATOM 803 O HIS A 53 -2.937 9.781 -2.500 1.00 0.00 O ATOM 804 CB HIS A 53 -3.322 12.553 -0.791 1.00 0.00 C ATOM 805 CG HIS A 53 -3.818 13.418 0.327 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.122 13.857 0.417 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.177 13.923 1.407 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.261 14.597 1.503 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.096 14.652 2.122 1.00 0.00 N ATOM 0 H HIS A 53 -3.247 11.509 1.439 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.609 10.837 -0.917 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.249 12.703 -0.907 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.791 12.872 -1.722 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.137 13.780 1.660 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.173 15.076 1.829 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.909 15.154 2.990 1.00 0.00 H new ATOM 818 N TRP A 54 -1.419 10.035 -0.860 1.00 0.00 N ATOM 819 CA TRP A 54 -0.390 9.259 -1.543 1.00 0.00 C ATOM 820 C TRP A 54 -0.101 7.962 -0.795 1.00 0.00 C ATOM 821 O TRP A 54 0.205 7.977 0.397 1.00 0.00 O ATOM 822 CB TRP A 54 0.893 10.080 -1.678 1.00 0.00 C ATOM 823 CG TRP A 54 0.656 11.473 -2.178 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.768 12.631 -1.463 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.265 11.853 -3.502 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.470 13.708 -2.262 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.159 13.258 -3.518 1.00 0.00 C ATOM 828 CE3 TRP A 54 -0.004 11.145 -4.676 1.00 0.00 C ATOM 829 CZ2 TRP A 54 -0.205 13.964 -4.662 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.365 11.847 -5.810 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.462 13.244 -5.797 1.00 0.00 C ATOM 0 H TRP A 54 -1.137 10.401 0.050 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.759 9.009 -2.538 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.388 10.129 -0.708 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.574 9.568 -2.358 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.050 12.691 -0.422 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.479 14.685 -1.968 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.069 10.068 -4.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.282 15.041 -4.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.576 11.309 -6.722 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.745 13.763 -6.701 1.00 0.00 H new ATOM 842 N TRP A 55 -0.200 6.842 -1.502 1.00 0.00 N ATOM 843 CA TRP A 55 0.051 5.536 -0.904 1.00 0.00 C ATOM 844 C TRP A 55 1.212 4.833 -1.599 1.00 0.00 C ATOM 845 O TRP A 55 1.460 5.050 -2.785 1.00 0.00 O ATOM 846 CB TRP A 55 -1.206 4.667 -0.979 1.00 0.00 C ATOM 847 CG TRP A 55 -2.116 4.837 0.200 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.014 5.776 1.186 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.265 4.043 0.516 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.030 5.615 2.096 1.00 0.00 N ATOM 851 CE2 TRP A 55 -3.812 4.559 1.708 1.00 0.00 C ATOM 852 CE3 TRP A 55 -3.886 2.949 -0.091 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -4.948 4.016 2.301 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.014 2.411 0.499 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.536 2.945 1.684 1.00 0.00 C ATOM 0 H TRP A 55 -0.452 6.812 -2.490 1.00 0.00 H new ATOM 0 HA TRP A 55 0.317 5.688 0.142 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.753 4.910 -1.890 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -0.912 3.620 -1.054 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.247 6.534 1.242 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.178 6.189 2.926 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.492 2.531 -1.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.351 4.425 3.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.501 1.564 0.038 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.420 2.503 2.119 1.00 0.00 H new ATOM 866 N ARG A 56 1.919 3.989 -0.854 1.00 0.00 N ATOM 867 CA ARG A 56 3.055 3.256 -1.400 1.00 0.00 C ATOM 868 C ARG A 56 2.637 1.854 -1.836 1.00 0.00 C ATOM 869 O ARG A 56 2.343 0.995 -1.005 1.00 0.00 O ATOM 870 CB ARG A 56 4.177 3.166 -0.364 1.00 0.00 C ATOM 871 CG ARG A 56 5.548 2.922 -0.972 1.00 0.00 C ATOM 872 CD ARG A 56 6.650 3.055 0.068 1.00 0.00 C ATOM 873 NE ARG A 56 7.978 2.887 -0.516 1.00 0.00 N ATOM 874 CZ ARG A 56 9.090 2.788 0.203 1.00 0.00 C ATOM 875 NH1 ARG A 56 9.034 2.838 1.527 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.261 2.636 -0.402 1.00 0.00 N ATOM 0 H ARG A 56 1.725 3.796 0.129 1.00 0.00 H new ATOM 0 HA ARG A 56 3.419 3.797 -2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.204 4.091 0.212 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.951 2.361 0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.580 1.925 -1.412 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.721 3.633 -1.780 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.584 4.034 0.543 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.501 2.311 0.850 1.00 0.00 H new ATOM 0 HE ARG A 56 8.056 2.843 -1.532 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.135 2.953 1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.890 2.762 2.077 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.308 2.595 -1.420 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.115 2.560 0.151 1.00 0.00 H new ATOM 890 N VAL A 57 2.613 1.630 -3.147 1.00 0.00 N ATOM 891 CA VAL A 57 2.233 0.334 -3.694 1.00 0.00 C ATOM 892 C VAL A 57 3.300 -0.196 -4.645 1.00 0.00 C ATOM 893 O VAL A 57 4.278 0.490 -4.939 1.00 0.00 O ATOM 894 CB VAL A 57 0.888 0.413 -4.441 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.184 1.022 -3.550 1.00 0.00 C ATOM 896 CG2 VAL A 57 1.040 1.211 -5.727 1.00 0.00 C ATOM 0 H VAL A 57 2.852 2.330 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 57 2.132 -0.348 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 57 0.577 -0.599 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.127 1.069 -4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.310 0.406 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.116 2.028 -3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.081 1.257 -6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.374 2.221 -5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.775 0.727 -6.371 1.00 0.00 H new ATOM 906 N GLN A 58 3.104 -1.421 -5.121 1.00 0.00 N ATOM 907 CA GLN A 58 4.051 -2.044 -6.039 1.00 0.00 C ATOM 908 C GLN A 58 3.321 -2.823 -7.129 1.00 0.00 C ATOM 909 O GLN A 58 2.449 -3.643 -6.841 1.00 0.00 O ATOM 910 CB GLN A 58 4.996 -2.974 -5.277 1.00 0.00 C ATOM 911 CG GLN A 58 6.177 -3.454 -6.106 1.00 0.00 C ATOM 912 CD GLN A 58 7.208 -4.196 -5.279 1.00 0.00 C ATOM 913 OE1 GLN A 58 6.869 -5.080 -4.492 1.00 0.00 O ATOM 914 NE2 GLN A 58 8.475 -3.840 -5.454 1.00 0.00 N ATOM 0 H GLN A 58 2.299 -2.002 -4.887 1.00 0.00 H new ATOM 0 HA GLN A 58 4.634 -1.253 -6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.369 -2.455 -4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.435 -3.839 -4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.816 -4.107 -6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.650 -2.598 -6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.710 -3.102 -6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.213 -4.305 -4.925 1.00 0.00 H new ATOM 923 N ASP A 59 3.682 -2.560 -8.380 1.00 0.00 N ATOM 924 CA ASP A 59 3.062 -3.237 -9.513 1.00 0.00 C ATOM 925 C ASP A 59 3.459 -4.710 -9.550 1.00 0.00 C ATOM 926 O ASP A 59 4.409 -5.123 -8.884 1.00 0.00 O ATOM 927 CB ASP A 59 3.462 -2.556 -10.822 1.00 0.00 C ATOM 928 CG ASP A 59 2.612 -3.008 -11.993 1.00 0.00 C ATOM 929 OD1 ASP A 59 1.470 -3.454 -11.759 1.00 0.00 O ATOM 930 OD2 ASP A 59 3.089 -2.916 -13.144 1.00 0.00 O ATOM 0 H ASP A 59 4.401 -1.883 -8.635 1.00 0.00 H new ATOM 0 HA ASP A 59 1.980 -3.174 -9.395 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.373 -1.476 -10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.510 -2.769 -11.034 1.00 0.00 H new ATOM 935 N ARG A 60 2.725 -5.496 -10.330 1.00 0.00 N ATOM 936 CA ARG A 60 2.999 -6.923 -10.452 1.00 0.00 C ATOM 937 C ARG A 60 4.329 -7.162 -11.161 1.00 0.00 C ATOM 938 O ARG A 60 4.817 -8.290 -11.221 1.00 0.00 O ATOM 939 CB ARG A 60 1.869 -7.617 -11.214 1.00 0.00 C ATOM 940 CG ARG A 60 1.766 -7.193 -12.670 1.00 0.00 C ATOM 941 CD ARG A 60 0.477 -7.691 -13.305 1.00 0.00 C ATOM 942 NE ARG A 60 0.635 -9.016 -13.898 1.00 0.00 N ATOM 943 CZ ARG A 60 0.536 -10.146 -13.207 1.00 0.00 C ATOM 944 NH1 ARG A 60 0.280 -10.113 -11.907 1.00 0.00 N ATOM 945 NH2 ARG A 60 0.693 -11.314 -13.818 1.00 0.00 N ATOM 0 H ARG A 60 1.936 -5.169 -10.887 1.00 0.00 H new ATOM 0 HA ARG A 60 3.062 -7.343 -9.448 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.020 -8.695 -11.168 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.923 -7.406 -10.715 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.810 -6.106 -12.738 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.620 -7.582 -13.225 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.310 -7.723 -12.551 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.155 -6.987 -14.072 1.00 0.00 H new ATOM 0 HE ARG A 60 0.832 -9.077 -14.897 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.158 -9.218 -11.434 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.205 -10.983 -11.380 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.890 -11.344 -14.818 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.617 -12.182 -13.287 1.00 0.00 H new ATOM 959 N ASN A 61 4.908 -6.094 -11.698 1.00 0.00 N ATOM 960 CA ASN A 61 6.181 -6.188 -12.404 1.00 0.00 C ATOM 961 C ASN A 61 7.348 -5.902 -11.464 1.00 0.00 C ATOM 962 O ASN A 61 8.337 -6.633 -11.446 1.00 0.00 O ATOM 963 CB ASN A 61 6.208 -5.210 -13.581 1.00 0.00 C ATOM 964 CG ASN A 61 5.211 -5.579 -14.662 1.00 0.00 C ATOM 965 OD1 ASN A 61 4.117 -5.018 -14.730 1.00 0.00 O ATOM 966 ND2 ASN A 61 5.585 -6.526 -15.514 1.00 0.00 N ATOM 0 H ASN A 61 4.516 -5.153 -11.658 1.00 0.00 H new ATOM 0 HA ASN A 61 6.284 -7.205 -12.782 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.992 -4.205 -13.219 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.211 -5.187 -14.008 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.956 -6.816 -16.263 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.501 -6.964 -15.420 1.00 0.00 H new ATOM 973 N GLY A 62 7.224 -4.833 -10.683 1.00 0.00 N ATOM 974 CA GLY A 62 8.275 -4.470 -9.751 1.00 0.00 C ATOM 975 C GLY A 62 8.499 -2.972 -9.685 1.00 0.00 C ATOM 976 O GLY A 62 9.623 -2.514 -9.477 1.00 0.00 O ATOM 0 H GLY A 62 6.415 -4.212 -10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.020 -4.840 -8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.203 -4.960 -10.045 1.00 0.00 H new ATOM 980 N HIS A 63 7.428 -2.206 -9.865 1.00 0.00 N ATOM 981 CA HIS A 63 7.513 -0.750 -9.827 1.00 0.00 C ATOM 982 C HIS A 63 6.621 -0.183 -8.727 1.00 0.00 C ATOM 983 O HIS A 63 5.412 -0.409 -8.718 1.00 0.00 O ATOM 984 CB HIS A 63 7.115 -0.159 -11.179 1.00 0.00 C ATOM 985 CG HIS A 63 7.538 -0.996 -12.347 1.00 0.00 C ATOM 986 ND1 HIS A 63 6.852 -1.022 -13.543 1.00 0.00 N ATOM 987 CD2 HIS A 63 8.586 -1.839 -12.498 1.00 0.00 C ATOM 988 CE1 HIS A 63 7.458 -1.846 -14.378 1.00 0.00 C ATOM 989 NE2 HIS A 63 8.514 -2.354 -13.769 1.00 0.00 N ATOM 0 H HIS A 63 6.491 -2.569 -10.039 1.00 0.00 H new ATOM 0 HA HIS A 63 8.546 -0.476 -9.610 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.033 -0.032 -11.206 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.555 0.834 -11.276 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.339 -2.065 -11.757 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.144 -2.067 -15.387 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.170 -3.021 -14.177 1.00 0.00 H new ATOM 998 N GLU A 64 7.227 0.555 -7.802 1.00 0.00 N ATOM 999 CA GLU A 64 6.487 1.153 -6.697 1.00 0.00 C ATOM 1000 C GLU A 64 6.726 2.659 -6.633 1.00 0.00 C ATOM 1001 O GLU A 64 7.710 3.165 -7.172 1.00 0.00 O ATOM 1002 CB GLU A 64 6.892 0.504 -5.372 1.00 0.00 C ATOM 1003 CG GLU A 64 8.383 0.239 -5.255 1.00 0.00 C ATOM 1004 CD GLU A 64 9.209 1.508 -5.331 1.00 0.00 C ATOM 1005 OE1 GLU A 64 9.037 2.382 -4.455 1.00 0.00 O ATOM 1006 OE2 GLU A 64 10.028 1.627 -6.266 1.00 0.00 O ATOM 0 H GLU A 64 8.228 0.753 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 64 5.425 0.979 -6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.581 1.150 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.354 -0.437 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.585 -0.266 -4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.691 -0.439 -6.051 1.00 0.00 H new ATOM 1013 N GLY A 65 5.818 3.369 -5.971 1.00 0.00 N ATOM 1014 CA GLY A 65 5.948 4.809 -5.849 1.00 0.00 C ATOM 1015 C GLY A 65 4.758 5.442 -5.156 1.00 0.00 C ATOM 1016 O GLY A 65 3.968 4.753 -4.510 1.00 0.00 O ATOM 0 H GLY A 65 4.995 2.973 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.855 5.043 -5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.061 5.246 -6.841 1.00 0.00 H new ATOM 1020 N TYR A 66 4.629 6.757 -5.288 1.00 0.00 N ATOM 1021 CA TYR A 66 3.528 7.484 -4.666 1.00 0.00 C ATOM 1022 C TYR A 66 2.397 7.717 -5.663 1.00 0.00 C ATOM 1023 O TYR A 66 2.536 8.494 -6.608 1.00 0.00 O ATOM 1024 CB TYR A 66 4.021 8.823 -4.115 1.00 0.00 C ATOM 1025 CG TYR A 66 4.978 8.684 -2.953 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.673 7.869 -1.870 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.188 9.368 -2.938 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.545 7.739 -0.806 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.066 9.243 -1.879 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.740 8.427 -0.815 1.00 0.00 C ATOM 1031 OH TYR A 66 7.612 8.301 0.242 1.00 0.00 O ATOM 0 H TYR A 66 5.273 7.342 -5.820 1.00 0.00 H new ATOM 0 HA TYR A 66 3.145 6.879 -3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.512 9.377 -4.915 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.162 9.415 -3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.738 7.328 -1.860 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.446 10.008 -3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.292 7.102 0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.002 9.781 -1.884 1.00 0.00 H new ATOM 0 HH TYR A 66 8.407 8.851 0.078 1.00 0.00 H new ATOM 1041 N VAL A 67 1.275 7.039 -5.444 1.00 0.00 N ATOM 1042 CA VAL A 67 0.118 7.172 -6.321 1.00 0.00 C ATOM 1043 C VAL A 67 -1.087 7.715 -5.562 1.00 0.00 C ATOM 1044 O VAL A 67 -1.220 7.540 -4.350 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.259 5.823 -6.962 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.620 5.542 -8.171 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.151 4.700 -5.941 1.00 0.00 C ATOM 0 H VAL A 67 1.143 6.392 -4.667 1.00 0.00 H new ATOM 0 HA VAL A 67 0.396 7.874 -7.107 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.294 5.877 -7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.339 4.585 -8.611 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.487 6.333 -8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.664 5.506 -7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.421 3.754 -6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.872 4.642 -5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.827 4.898 -5.109 1.00 0.00 H new ATOM 1057 N PRO A 68 -1.989 8.391 -6.289 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.201 8.974 -5.704 1.00 0.00 C ATOM 1059 C PRO A 68 -4.204 7.911 -5.269 1.00 0.00 C ATOM 1060 O PRO A 68 -4.844 7.270 -6.103 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.776 9.816 -6.846 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.256 9.177 -8.087 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.896 8.639 -7.737 1.00 0.00 C ATOM 0 HA PRO A 68 -2.984 9.546 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.866 9.816 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.456 10.855 -6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.918 8.378 -8.421 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.192 9.899 -8.901 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.672 7.725 -8.287 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.108 9.355 -7.972 1.00 0.00 H new ATOM 1071 N SER A 69 -4.335 7.728 -3.959 1.00 0.00 N ATOM 1072 CA SER A 69 -5.258 6.740 -3.414 1.00 0.00 C ATOM 1073 C SER A 69 -6.593 6.778 -4.152 1.00 0.00 C ATOM 1074 O SER A 69 -7.236 5.746 -4.348 1.00 0.00 O ATOM 1075 CB SER A 69 -5.481 6.988 -1.921 1.00 0.00 C ATOM 1076 OG SER A 69 -6.455 7.996 -1.711 1.00 0.00 O ATOM 0 H SER A 69 -3.814 8.251 -3.256 1.00 0.00 H new ATOM 0 HA SER A 69 -4.816 5.753 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.800 6.064 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.541 7.283 -1.454 1.00 0.00 H new ATOM 0 HG SER A 69 -6.580 8.135 -0.749 1.00 0.00 H new ATOM 1082 N SER A 70 -7.003 7.974 -4.559 1.00 0.00 N ATOM 1083 CA SER A 70 -8.263 8.149 -5.272 1.00 0.00 C ATOM 1084 C SER A 70 -8.426 7.087 -6.355 1.00 0.00 C ATOM 1085 O SER A 70 -9.509 6.530 -6.537 1.00 0.00 O ATOM 1086 CB SER A 70 -8.331 9.544 -5.896 1.00 0.00 C ATOM 1087 OG SER A 70 -8.175 10.551 -4.912 1.00 0.00 O ATOM 0 H SER A 70 -6.481 8.837 -4.407 1.00 0.00 H new ATOM 0 HA SER A 70 -9.076 8.040 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.552 9.646 -6.652 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.287 9.672 -6.404 1.00 0.00 H new ATOM 0 HG SER A 70 -8.221 11.433 -5.337 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.342 6.811 -7.072 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.364 5.818 -8.140 1.00 0.00 C ATOM 1095 C TYR A 71 -7.401 4.404 -7.567 1.00 0.00 C ATOM 1096 O TYR A 71 -8.141 3.546 -8.049 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.140 5.983 -9.043 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.231 7.169 -9.975 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.526 8.438 -9.490 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -6.023 7.023 -11.341 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.611 9.525 -10.338 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -6.105 8.105 -12.196 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.399 9.353 -11.690 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.482 10.433 -12.539 1.00 0.00 O ATOM 0 H TYR A 71 -6.437 7.261 -6.933 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.267 5.975 -8.731 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.251 6.088 -8.421 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.010 5.076 -9.634 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.692 8.576 -8.432 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.793 6.047 -11.741 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.842 10.504 -9.945 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.940 7.974 -13.255 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.305 10.141 -13.458 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.597 4.170 -6.536 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.537 2.860 -5.895 1.00 0.00 C ATOM 1116 C LEU A 72 -7.840 2.551 -5.165 1.00 0.00 C ATOM 1117 O LEU A 72 -8.464 3.439 -4.583 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.364 2.804 -4.915 1.00 0.00 C ATOM 1119 CG LEU A 72 -3.973 2.989 -5.522 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.929 3.141 -4.427 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.628 1.819 -6.432 1.00 0.00 C ATOM 0 H LEU A 72 -5.978 4.869 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.390 2.109 -6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.513 3.573 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.390 1.842 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.977 3.900 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.945 3.272 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.167 4.012 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.926 2.249 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.635 1.968 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.642 0.894 -5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.360 1.756 -7.237 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.245 1.285 -5.197 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.472 0.858 -4.536 1.00 0.00 C ATOM 1135 C VAL A 73 -9.283 -0.487 -3.843 1.00 0.00 C ATOM 1136 O VAL A 73 -8.623 -1.381 -4.372 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.639 0.749 -5.535 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.626 1.923 -6.502 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.575 -0.572 -6.286 1.00 0.00 C ATOM 0 H VAL A 73 -7.741 0.537 -5.674 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.711 1.617 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.575 0.779 -4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.458 1.829 -7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.724 2.855 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.687 1.928 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.407 -0.632 -6.988 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.634 -0.635 -6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.638 -1.397 -5.577 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.867 -0.623 -2.657 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.762 -1.860 -1.892 1.00 0.00 C ATOM 1151 C GLU A 74 -10.644 -2.950 -2.495 1.00 0.00 C ATOM 1152 O GLU A 74 -11.872 -2.874 -2.436 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.156 -1.619 -0.433 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.485 -2.570 0.544 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.331 -2.834 1.774 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.437 -1.927 2.626 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -10.886 -3.947 1.886 1.00 0.00 O ATOM 0 H GLU A 74 -10.417 0.107 -2.205 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.725 -2.193 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.902 -0.594 -0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.237 -1.716 -0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.277 -3.514 0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.525 -2.153 0.850 1.00 0.00 H new ATOM 1164 N LYS A 75 -10.010 -3.962 -3.076 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.735 -5.068 -3.690 1.00 0.00 C ATOM 1166 C LYS A 75 -11.602 -5.788 -2.662 1.00 0.00 C ATOM 1167 O LYS A 75 -11.090 -6.461 -1.767 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.755 -6.056 -4.327 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.380 -6.921 -5.408 1.00 0.00 C ATOM 1170 CD LYS A 75 -9.362 -7.315 -6.465 1.00 0.00 C ATOM 1171 CE LYS A 75 -9.822 -8.529 -7.257 1.00 0.00 C ATOM 1172 NZ LYS A 75 -10.619 -8.142 -8.454 1.00 0.00 N ATOM 0 H LYS A 75 -8.995 -4.039 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.384 -4.659 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.920 -5.502 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.345 -6.701 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.804 -7.818 -4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.202 -6.381 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.198 -6.478 -7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.406 -7.531 -5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.953 -9.108 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.421 -9.175 -6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.913 -8.998 -8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.461 -7.611 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.039 -7.546 -9.079 1.00 0.00 H new