USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 402 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 THR OG1 : rot 25:sc= 0.0423 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 146:sc= 0.0339 USER MOD Single : A 41 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.024) USER MOD Single : A 44 TYR OH : rot 60:sc= 0.0895 USER MOD Single : A 45 CYS SG : rot 5:sc= -0.322 USER MOD Single : A 49 SER OG : rot -91:sc= 0.945 USER MOD Single : A 50 SER OG : rot 59:sc= 0.271 USER MOD Single : A 53 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.082) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 63 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.021) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.000575 USER MOD Single : A 70 SER OG : rot 180:sc= -0.911 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0433) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -3.237 -6.895 1.385 1.00 0.00 N ATOM 272 CA THR A 20 -4.178 -5.895 0.898 1.00 0.00 C ATOM 273 C THR A 20 -3.923 -5.567 -0.568 1.00 0.00 C ATOM 274 O THR A 20 -2.912 -4.952 -0.910 1.00 0.00 O ATOM 275 CB THR A 20 -4.097 -4.598 1.725 1.00 0.00 C ATOM 276 OG1 THR A 20 -4.411 -4.870 3.095 1.00 0.00 O ATOM 277 CG2 THR A 20 -5.053 -3.548 1.179 1.00 0.00 C ATOM 0 HA THR A 20 -5.175 -6.322 1.003 1.00 0.00 H new ATOM 0 HB THR A 20 -3.080 -4.212 1.656 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.214 -5.809 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.978 -2.641 1.779 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.793 -3.322 0.145 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.074 -3.928 1.221 1.00 0.00 H new ATOM 285 N VAL A 21 -4.845 -5.980 -1.432 1.00 0.00 N ATOM 286 CA VAL A 21 -4.720 -5.727 -2.863 1.00 0.00 C ATOM 287 C VAL A 21 -5.671 -4.623 -3.311 1.00 0.00 C ATOM 288 O VAL A 21 -6.862 -4.651 -3.003 1.00 0.00 O ATOM 289 CB VAL A 21 -5.005 -6.999 -3.684 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.918 -6.704 -5.173 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.041 -8.111 -3.295 1.00 0.00 C ATOM 0 H VAL A 21 -5.687 -6.491 -1.166 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.692 -5.411 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.019 -7.334 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.122 -7.614 -5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.651 -5.942 -5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.918 -6.344 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.256 -9.002 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.017 -7.788 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.158 -8.340 -2.236 1.00 0.00 H new ATOM 301 N VAL A 22 -5.136 -3.650 -4.041 1.00 0.00 N ATOM 302 CA VAL A 22 -5.937 -2.536 -4.535 1.00 0.00 C ATOM 303 C VAL A 22 -5.942 -2.494 -6.058 1.00 0.00 C ATOM 304 O VAL A 22 -5.113 -3.131 -6.709 1.00 0.00 O ATOM 305 CB VAL A 22 -5.416 -1.189 -3.997 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.601 -1.108 -2.490 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.955 -0.994 -4.375 1.00 0.00 C ATOM 0 H VAL A 22 -4.151 -3.610 -4.304 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.954 -2.694 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.996 -0.387 -4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.227 -0.150 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.660 -1.199 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.049 -1.917 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.603 -0.038 -3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.358 -1.800 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.856 -1.004 -5.460 1.00 0.00 H new ATOM 317 N ILE A 23 -6.880 -1.741 -6.621 1.00 0.00 N ATOM 318 CA ILE A 23 -6.992 -1.616 -8.069 1.00 0.00 C ATOM 319 C ILE A 23 -7.187 -0.160 -8.482 1.00 0.00 C ATOM 320 O ILE A 23 -7.884 0.598 -7.808 1.00 0.00 O ATOM 321 CB ILE A 23 -8.162 -2.454 -8.618 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.112 -3.873 -8.049 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.122 -2.486 -10.139 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.468 -4.539 -7.967 1.00 0.00 C ATOM 0 H ILE A 23 -7.574 -1.208 -6.097 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.059 -1.989 -8.491 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.099 -1.991 -8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.454 -4.482 -8.669 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.671 -3.841 -7.053 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.955 -3.082 -10.512 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.200 -1.470 -10.526 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.182 -2.929 -10.469 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.356 -5.542 -7.555 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.123 -3.953 -7.323 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.903 -4.603 -8.964 1.00 0.00 H new ATOM 336 N ALA A 24 -6.567 0.222 -9.593 1.00 0.00 N ATOM 337 CA ALA A 24 -6.675 1.585 -10.098 1.00 0.00 C ATOM 338 C ALA A 24 -7.873 1.732 -11.031 1.00 0.00 C ATOM 339 O ALA A 24 -8.039 0.954 -11.971 1.00 0.00 O ATOM 340 CB ALA A 24 -5.394 1.986 -10.814 1.00 0.00 C ATOM 0 H ALA A 24 -5.984 -0.393 -10.161 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.826 2.250 -9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.489 3.006 -11.186 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.556 1.930 -10.119 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.218 1.310 -11.651 1.00 0.00 H new ATOM 346 N LEU A 25 -8.705 2.732 -10.764 1.00 0.00 N ATOM 347 CA LEU A 25 -9.888 2.981 -11.580 1.00 0.00 C ATOM 348 C LEU A 25 -9.503 3.564 -12.936 1.00 0.00 C ATOM 349 O LEU A 25 -10.126 3.261 -13.953 1.00 0.00 O ATOM 350 CB LEU A 25 -10.841 3.932 -10.854 1.00 0.00 C ATOM 351 CG LEU A 25 -11.298 3.493 -9.463 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.629 4.703 -8.603 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.500 2.565 -9.565 1.00 0.00 C ATOM 0 H LEU A 25 -8.583 3.384 -9.989 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.391 2.029 -11.746 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.354 4.903 -10.765 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.724 4.074 -11.477 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.482 2.948 -8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.952 4.371 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.744 5.331 -8.502 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.428 5.276 -9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.812 2.262 -8.565 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.320 3.085 -10.059 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.230 1.682 -10.144 1.00 0.00 H new ATOM 365 N TYR A 26 -8.471 4.401 -12.942 1.00 0.00 N ATOM 366 CA TYR A 26 -8.002 5.027 -14.172 1.00 0.00 C ATOM 367 C TYR A 26 -6.518 4.753 -14.392 1.00 0.00 C ATOM 368 O TYR A 26 -5.765 4.548 -13.439 1.00 0.00 O ATOM 369 CB TYR A 26 -8.253 6.536 -14.129 1.00 0.00 C ATOM 370 CG TYR A 26 -9.581 6.911 -13.512 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.702 7.113 -12.143 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.716 7.066 -14.300 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.914 7.456 -11.576 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.931 7.410 -13.742 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.026 7.603 -12.379 1.00 0.00 C ATOM 376 OH TYR A 26 -13.235 7.946 -11.818 1.00 0.00 O ATOM 0 H TYR A 26 -7.944 4.661 -12.109 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.559 4.596 -15.004 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.452 7.013 -13.565 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.208 6.932 -15.143 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.834 7.000 -11.511 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.646 6.915 -15.367 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.991 7.608 -10.510 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.803 7.527 -14.369 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.915 8.010 -12.521 1.00 0.00 H new ATOM 386 N ASP A 27 -6.104 4.751 -15.654 1.00 0.00 N ATOM 387 CA ASP A 27 -4.709 4.504 -16.001 1.00 0.00 C ATOM 388 C ASP A 27 -3.858 5.744 -15.748 1.00 0.00 C ATOM 389 O ASP A 27 -3.768 6.631 -16.598 1.00 0.00 O ATOM 390 CB ASP A 27 -4.593 4.080 -17.466 1.00 0.00 C ATOM 391 CG ASP A 27 -3.174 3.715 -17.852 1.00 0.00 C ATOM 392 OD1 ASP A 27 -2.309 4.616 -17.856 1.00 0.00 O ATOM 393 OD2 ASP A 27 -2.927 2.527 -18.152 1.00 0.00 O ATOM 0 H ASP A 27 -6.714 4.918 -16.454 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.340 3.697 -15.367 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.247 3.227 -17.647 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.943 4.891 -18.105 1.00 0.00 H new ATOM 398 N TYR A 28 -3.237 5.800 -14.575 1.00 0.00 N ATOM 399 CA TYR A 28 -2.396 6.934 -14.209 1.00 0.00 C ATOM 400 C TYR A 28 -1.039 6.850 -14.899 1.00 0.00 C ATOM 401 O TYR A 28 -0.418 5.788 -14.945 1.00 0.00 O ATOM 402 CB TYR A 28 -2.207 6.986 -12.692 1.00 0.00 C ATOM 403 CG TYR A 28 -1.618 8.289 -12.200 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.369 9.457 -12.199 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.310 8.350 -11.735 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.834 10.650 -11.751 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.233 9.538 -11.283 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.533 10.685 -11.294 1.00 0.00 C ATOM 409 OH TYR A 28 0.003 11.870 -10.846 1.00 0.00 O ATOM 0 H TYR A 28 -3.300 5.074 -13.862 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.895 7.846 -14.538 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.171 6.827 -12.208 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.558 6.165 -12.387 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.389 9.433 -12.554 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.293 7.454 -11.727 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.431 11.550 -11.759 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.251 9.568 -10.923 1.00 0.00 H new ATOM 0 HH TYR A 28 0.631 11.690 -10.116 1.00 0.00 H new ATOM 507 N GLU A 35 6.650 9.112 -7.907 1.00 0.00 N ATOM 508 CA GLU A 35 5.341 8.494 -8.089 1.00 0.00 C ATOM 509 C GLU A 35 5.421 7.332 -9.075 1.00 0.00 C ATOM 510 O GLU A 35 6.399 7.193 -9.810 1.00 0.00 O ATOM 511 CB GLU A 35 4.328 9.528 -8.583 1.00 0.00 C ATOM 512 CG GLU A 35 4.175 10.722 -7.654 1.00 0.00 C ATOM 513 CD GLU A 35 3.307 11.815 -8.248 1.00 0.00 C ATOM 514 OE1 GLU A 35 2.077 11.617 -8.331 1.00 0.00 O ATOM 515 OE2 GLU A 35 3.859 12.868 -8.629 1.00 0.00 O ATOM 0 HA GLU A 35 5.013 8.108 -7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.633 9.881 -9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.358 9.045 -8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.741 10.391 -6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.160 11.129 -7.426 1.00 0.00 H new ATOM 522 N LEU A 36 4.385 6.500 -9.085 1.00 0.00 N ATOM 523 CA LEU A 36 4.337 5.350 -9.981 1.00 0.00 C ATOM 524 C LEU A 36 3.156 5.457 -10.941 1.00 0.00 C ATOM 525 O LEU A 36 2.107 5.998 -10.592 1.00 0.00 O ATOM 526 CB LEU A 36 4.237 4.054 -9.173 1.00 0.00 C ATOM 527 CG LEU A 36 3.983 2.780 -9.979 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.287 2.231 -10.536 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.287 1.735 -9.118 1.00 0.00 C ATOM 0 H LEU A 36 3.568 6.600 -8.483 1.00 0.00 H new ATOM 0 HA LEU A 36 5.257 5.337 -10.566 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.163 3.927 -8.612 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.435 4.165 -8.444 1.00 0.00 H new ATOM 0 HG LEU A 36 3.330 3.027 -10.816 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.086 1.324 -11.107 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.746 2.975 -11.187 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.965 2.000 -9.714 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.114 0.835 -9.707 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.915 1.492 -8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.333 2.129 -8.768 1.00 0.00 H new ATOM 541 N ALA A 37 3.334 4.935 -12.150 1.00 0.00 N ATOM 542 CA ALA A 37 2.282 4.967 -13.158 1.00 0.00 C ATOM 543 C ALA A 37 1.321 3.796 -12.987 1.00 0.00 C ATOM 544 O ALA A 37 1.635 2.663 -13.353 1.00 0.00 O ATOM 545 CB ALA A 37 2.889 4.954 -14.554 1.00 0.00 C ATOM 0 H ALA A 37 4.197 4.485 -12.455 1.00 0.00 H new ATOM 0 HA ALA A 37 1.716 5.889 -13.027 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.092 4.978 -15.297 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.530 5.827 -14.680 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.480 4.048 -14.685 1.00 0.00 H new ATOM 551 N LEU A 38 0.149 4.076 -12.428 1.00 0.00 N ATOM 552 CA LEU A 38 -0.860 3.046 -12.207 1.00 0.00 C ATOM 553 C LEU A 38 -1.544 2.664 -13.515 1.00 0.00 C ATOM 554 O LEU A 38 -1.669 3.485 -14.424 1.00 0.00 O ATOM 555 CB LEU A 38 -1.900 3.531 -11.196 1.00 0.00 C ATOM 556 CG LEU A 38 -1.452 3.562 -9.734 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.384 4.435 -8.909 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.395 2.152 -9.164 1.00 0.00 C ATOM 0 H LEU A 38 -0.126 5.008 -12.119 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.361 2.163 -11.809 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.213 4.536 -11.481 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.778 2.890 -11.272 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.451 3.991 -9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.050 4.445 -7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.375 5.451 -9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.397 4.035 -8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.074 2.193 -8.123 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.383 1.696 -9.222 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.686 1.556 -9.739 1.00 0.00 H new ATOM 570 N ARG A 39 -1.988 1.415 -13.603 1.00 0.00 N ATOM 571 CA ARG A 39 -2.661 0.925 -14.799 1.00 0.00 C ATOM 572 C ARG A 39 -4.157 0.758 -14.552 1.00 0.00 C ATOM 573 O ARG A 39 -4.581 0.439 -13.441 1.00 0.00 O ATOM 574 CB ARG A 39 -2.055 -0.408 -15.242 1.00 0.00 C ATOM 575 CG ARG A 39 -2.246 -0.703 -16.721 1.00 0.00 C ATOM 576 CD ARG A 39 -3.556 -1.432 -16.978 1.00 0.00 C ATOM 577 NE ARG A 39 -3.559 -2.111 -18.271 1.00 0.00 N ATOM 578 CZ ARG A 39 -3.858 -1.510 -19.417 1.00 0.00 C ATOM 579 NH1 ARG A 39 -4.176 -0.223 -19.430 1.00 0.00 N ATOM 580 NH2 ARG A 39 -3.839 -2.195 -20.553 1.00 0.00 N ATOM 0 H ARG A 39 -1.894 0.723 -12.859 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.521 1.661 -15.591 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.989 -0.406 -15.015 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.503 -1.213 -14.659 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.231 0.230 -17.284 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.415 -1.308 -17.083 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.727 -2.160 -16.185 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.381 -0.720 -16.940 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.318 -3.102 -18.295 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.191 0.307 -18.559 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.405 0.237 -20.311 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.594 -3.185 -20.547 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.069 -1.731 -21.432 1.00 0.00 H new ATOM 594 N ARG A 40 -4.952 0.976 -15.594 1.00 0.00 N ATOM 595 CA ARG A 40 -6.401 0.852 -15.489 1.00 0.00 C ATOM 596 C ARG A 40 -6.799 -0.575 -15.125 1.00 0.00 C ATOM 597 O ARG A 40 -6.206 -1.538 -15.610 1.00 0.00 O ATOM 598 CB ARG A 40 -7.066 1.258 -16.806 1.00 0.00 C ATOM 599 CG ARG A 40 -8.551 0.942 -16.861 1.00 0.00 C ATOM 600 CD ARG A 40 -9.283 1.868 -17.820 1.00 0.00 C ATOM 601 NE ARG A 40 -10.704 1.546 -17.915 1.00 0.00 N ATOM 602 CZ ARG A 40 -11.595 2.321 -18.523 1.00 0.00 C ATOM 603 NH1 ARG A 40 -11.213 3.458 -19.088 1.00 0.00 N ATOM 604 NH2 ARG A 40 -12.871 1.960 -18.567 1.00 0.00 N ATOM 0 H ARG A 40 -4.617 1.239 -16.521 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.741 1.519 -14.697 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.925 2.328 -16.960 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.564 0.749 -17.629 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.693 -0.093 -17.173 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.981 1.036 -15.864 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.167 2.899 -17.487 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.829 1.799 -18.808 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.031 0.678 -17.491 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.233 3.739 -19.056 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.899 4.051 -19.554 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.169 1.086 -18.133 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.554 2.556 -19.034 1.00 0.00 H new ATOM 618 N ASN A 41 -7.807 -0.703 -14.268 1.00 0.00 N ATOM 619 CA ASN A 41 -8.284 -2.013 -13.838 1.00 0.00 C ATOM 620 C ASN A 41 -7.119 -2.977 -13.638 1.00 0.00 C ATOM 621 O ASN A 41 -7.130 -4.094 -14.154 1.00 0.00 O ATOM 622 CB ASN A 41 -9.263 -2.584 -14.866 1.00 0.00 C ATOM 623 CG ASN A 41 -10.497 -1.719 -15.033 1.00 0.00 C ATOM 624 OD1 ASN A 41 -11.166 -1.377 -14.058 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.804 -1.360 -16.274 1.00 0.00 N ATOM 0 H ASN A 41 -8.309 0.084 -13.858 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.798 -1.891 -12.885 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.759 -2.683 -15.828 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.564 -3.586 -14.560 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.623 -0.778 -16.449 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.221 -1.667 -17.053 1.00 0.00 H new ATOM 632 N GLU A 42 -6.116 -2.536 -12.885 1.00 0.00 N ATOM 633 CA GLU A 42 -4.944 -3.361 -12.617 1.00 0.00 C ATOM 634 C GLU A 42 -4.737 -3.542 -11.116 1.00 0.00 C ATOM 635 O GLU A 42 -5.029 -2.644 -10.326 1.00 0.00 O ATOM 636 CB GLU A 42 -3.697 -2.732 -13.242 1.00 0.00 C ATOM 637 CG GLU A 42 -2.405 -3.115 -12.540 1.00 0.00 C ATOM 638 CD GLU A 42 -2.086 -4.592 -12.670 1.00 0.00 C ATOM 639 OE1 GLU A 42 -2.642 -5.241 -13.580 1.00 0.00 O ATOM 640 OE2 GLU A 42 -1.279 -5.097 -11.862 1.00 0.00 O ATOM 0 H GLU A 42 -6.092 -1.614 -12.450 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.112 -4.341 -13.064 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.635 -3.032 -14.288 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.801 -1.647 -13.227 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.583 -2.532 -12.956 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.479 -2.855 -11.484 1.00 0.00 H new ATOM 647 N GLU A 43 -4.233 -4.710 -10.730 1.00 0.00 N ATOM 648 CA GLU A 43 -3.989 -5.009 -9.324 1.00 0.00 C ATOM 649 C GLU A 43 -2.658 -4.421 -8.865 1.00 0.00 C ATOM 650 O GLU A 43 -1.729 -4.266 -9.658 1.00 0.00 O ATOM 651 CB GLU A 43 -3.998 -6.521 -9.092 1.00 0.00 C ATOM 652 CG GLU A 43 -5.372 -7.152 -9.238 1.00 0.00 C ATOM 653 CD GLU A 43 -5.313 -8.664 -9.337 1.00 0.00 C ATOM 654 OE1 GLU A 43 -5.233 -9.325 -8.281 1.00 0.00 O ATOM 655 OE2 GLU A 43 -5.348 -9.186 -10.471 1.00 0.00 O ATOM 0 H GLU A 43 -3.986 -5.464 -11.371 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.788 -4.554 -8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.314 -6.992 -9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.617 -6.729 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.989 -6.872 -8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.858 -6.752 -10.128 1.00 0.00 H new ATOM 662 N TYR A 44 -2.574 -4.094 -7.581 1.00 0.00 N ATOM 663 CA TYR A 44 -1.358 -3.519 -7.016 1.00 0.00 C ATOM 664 C TYR A 44 -1.232 -3.859 -5.534 1.00 0.00 C ATOM 665 O TYR A 44 -2.167 -3.657 -4.758 1.00 0.00 O ATOM 666 CB TYR A 44 -1.351 -2.002 -7.205 1.00 0.00 C ATOM 667 CG TYR A 44 -1.054 -1.569 -8.623 1.00 0.00 C ATOM 668 CD1 TYR A 44 0.243 -1.588 -9.119 1.00 0.00 C ATOM 669 CD2 TYR A 44 -2.072 -1.143 -9.468 1.00 0.00 C ATOM 670 CE1 TYR A 44 0.519 -1.193 -10.414 1.00 0.00 C ATOM 671 CE2 TYR A 44 -1.807 -0.748 -10.764 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.510 -0.775 -11.233 1.00 0.00 C ATOM 673 OH TYR A 44 -0.240 -0.382 -12.524 1.00 0.00 O ATOM 0 H TYR A 44 -3.333 -4.217 -6.911 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.505 -3.948 -7.542 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.321 -1.603 -6.908 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.608 -1.565 -6.538 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.050 -1.917 -8.481 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.089 -1.121 -9.104 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.534 -1.211 -10.783 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.610 -0.420 -11.407 1.00 0.00 H new ATOM 0 HH TYR A 44 0.168 -1.126 -13.014 1.00 0.00 H new ATOM 683 N CYS A 45 -0.071 -4.376 -5.149 1.00 0.00 N ATOM 684 CA CYS A 45 0.179 -4.745 -3.760 1.00 0.00 C ATOM 685 C CYS A 45 0.608 -3.530 -2.944 1.00 0.00 C ATOM 686 O CYS A 45 1.641 -2.917 -3.217 1.00 0.00 O ATOM 687 CB CYS A 45 1.254 -5.830 -3.684 1.00 0.00 C ATOM 688 SG CYS A 45 2.662 -5.552 -4.784 1.00 0.00 S ATOM 0 H CYS A 45 0.712 -4.549 -5.779 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.749 -5.133 -3.340 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.616 -5.897 -2.658 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.802 -6.792 -3.926 1.00 0.00 H new ATOM 0 HG CYS A 45 2.532 -4.401 -5.373 1.00 0.00 H new ATOM 694 N LEU A 46 -0.193 -3.185 -1.941 1.00 0.00 N ATOM 695 CA LEU A 46 0.102 -2.041 -1.085 1.00 0.00 C ATOM 696 C LEU A 46 1.323 -2.315 -0.213 1.00 0.00 C ATOM 697 O LEU A 46 1.414 -3.356 0.439 1.00 0.00 O ATOM 698 CB LEU A 46 -1.105 -1.714 -0.204 1.00 0.00 C ATOM 699 CG LEU A 46 -0.872 -0.676 0.895 1.00 0.00 C ATOM 700 CD1 LEU A 46 -0.511 0.671 0.289 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.103 -0.552 1.781 1.00 0.00 C ATOM 0 H LEU A 46 -1.051 -3.681 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 46 0.319 -1.186 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.912 -1.360 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.450 -2.637 0.263 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.037 -1.009 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.349 1.397 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.399 0.572 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.324 1.011 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.919 0.191 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.956 -0.243 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.317 -1.515 2.244 1.00 0.00 H new ATOM 713 N LEU A 47 2.260 -1.373 -0.204 1.00 0.00 N ATOM 714 CA LEU A 47 3.476 -1.510 0.591 1.00 0.00 C ATOM 715 C LEU A 47 3.341 -0.781 1.924 1.00 0.00 C ATOM 716 O LEU A 47 3.427 -1.392 2.989 1.00 0.00 O ATOM 717 CB LEU A 47 4.678 -0.966 -0.183 1.00 0.00 C ATOM 718 CG LEU A 47 4.975 -1.639 -1.523 1.00 0.00 C ATOM 719 CD1 LEU A 47 6.041 -0.867 -2.284 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.409 -3.082 -1.310 1.00 0.00 C ATOM 0 H LEU A 47 2.201 -0.506 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 47 3.631 -2.570 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.519 0.098 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.562 -1.055 0.449 1.00 0.00 H new ATOM 0 HG LEU A 47 4.062 -1.639 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.239 -1.361 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.692 0.149 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.957 -0.834 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.616 -3.546 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.309 -3.104 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.613 -3.631 -0.807 1.00 0.00 H new ATOM 732 N ASP A 48 3.128 0.529 1.856 1.00 0.00 N ATOM 733 CA ASP A 48 2.978 1.341 3.058 1.00 0.00 C ATOM 734 C ASP A 48 2.059 2.531 2.797 1.00 0.00 C ATOM 735 O ASP A 48 2.272 3.299 1.859 1.00 0.00 O ATOM 736 CB ASP A 48 4.343 1.832 3.541 1.00 0.00 C ATOM 737 CG ASP A 48 4.233 3.012 4.486 1.00 0.00 C ATOM 738 OD1 ASP A 48 4.112 4.155 3.997 1.00 0.00 O ATOM 739 OD2 ASP A 48 4.266 2.793 5.715 1.00 0.00 O ATOM 0 H ASP A 48 3.055 1.050 0.982 1.00 0.00 H new ATOM 0 HA ASP A 48 2.529 0.720 3.833 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.863 1.016 4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.949 2.115 2.681 1.00 0.00 H new ATOM 744 N SER A 49 1.036 2.677 3.634 1.00 0.00 N ATOM 745 CA SER A 49 0.082 3.770 3.492 1.00 0.00 C ATOM 746 C SER A 49 0.310 4.833 4.562 1.00 0.00 C ATOM 747 O SER A 49 -0.639 5.420 5.082 1.00 0.00 O ATOM 748 CB SER A 49 -1.350 3.240 3.581 1.00 0.00 C ATOM 749 OG SER A 49 -1.734 2.601 2.375 1.00 0.00 O ATOM 0 H SER A 49 0.847 2.052 4.417 1.00 0.00 H new ATOM 0 HA SER A 49 0.233 4.226 2.514 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.430 2.537 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.033 4.063 3.794 1.00 0.00 H new ATOM 0 HG SER A 49 -2.163 3.253 1.782 1.00 0.00 H new ATOM 755 N SER A 50 1.576 5.076 4.886 1.00 0.00 N ATOM 756 CA SER A 50 1.931 6.065 5.896 1.00 0.00 C ATOM 757 C SER A 50 1.090 7.329 5.738 1.00 0.00 C ATOM 758 O SER A 50 0.634 7.910 6.722 1.00 0.00 O ATOM 759 CB SER A 50 3.417 6.413 5.801 1.00 0.00 C ATOM 760 OG SER A 50 4.195 5.553 6.615 1.00 0.00 O ATOM 0 H SER A 50 2.373 4.601 4.463 1.00 0.00 H new ATOM 0 HA SER A 50 1.729 5.634 6.877 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.747 6.335 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.572 7.448 6.108 1.00 0.00 H new ATOM 0 HG SER A 50 4.055 4.624 6.337 1.00 0.00 H new ATOM 766 N GLU A 51 0.891 7.747 4.492 1.00 0.00 N ATOM 767 CA GLU A 51 0.106 8.942 4.205 1.00 0.00 C ATOM 768 C GLU A 51 -1.329 8.575 3.835 1.00 0.00 C ATOM 769 O GLU A 51 -1.707 7.403 3.861 1.00 0.00 O ATOM 770 CB GLU A 51 0.749 9.740 3.068 1.00 0.00 C ATOM 771 CG GLU A 51 1.982 10.519 3.493 1.00 0.00 C ATOM 772 CD GLU A 51 1.642 11.744 4.319 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.861 12.589 3.834 1.00 0.00 O ATOM 774 OE2 GLU A 51 2.158 11.858 5.451 1.00 0.00 O ATOM 0 H GLU A 51 1.262 7.277 3.666 1.00 0.00 H new ATOM 0 HA GLU A 51 0.085 9.557 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.021 9.056 2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.013 10.434 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.638 9.867 4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.537 10.826 2.606 1.00 0.00 H new ATOM 781 N ILE A 52 -2.122 9.585 3.493 1.00 0.00 N ATOM 782 CA ILE A 52 -3.514 9.369 3.119 1.00 0.00 C ATOM 783 C ILE A 52 -3.725 9.606 1.627 1.00 0.00 C ATOM 784 O ILE A 52 -4.273 8.757 0.924 1.00 0.00 O ATOM 785 CB ILE A 52 -4.460 10.289 3.913 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.295 10.052 5.415 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.903 10.057 3.489 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.946 11.117 6.270 1.00 0.00 C ATOM 0 H ILE A 52 -1.824 10.560 3.467 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.747 8.331 3.356 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.201 11.326 3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.721 9.082 5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.232 10.006 5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.560 10.714 4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.009 10.272 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.175 9.019 3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.789 10.884 7.323 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.503 12.087 6.043 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.015 11.148 6.061 1.00 0.00 H new ATOM 800 N HIS A 53 -3.284 10.766 1.150 1.00 0.00 N ATOM 801 CA HIS A 53 -3.422 11.115 -0.259 1.00 0.00 C ATOM 802 C HIS A 53 -2.461 10.299 -1.118 1.00 0.00 C ATOM 803 O HIS A 53 -2.807 9.872 -2.219 1.00 0.00 O ATOM 804 CB HIS A 53 -3.166 12.609 -0.464 1.00 0.00 C ATOM 805 CG HIS A 53 -3.745 13.470 0.615 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.065 13.869 0.633 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.177 14.007 1.720 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.283 14.616 1.700 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.153 14.715 2.377 1.00 0.00 N ATOM 0 H HIS A 53 -2.828 11.480 1.719 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.442 10.883 -0.567 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.091 12.781 -0.517 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.585 12.913 -1.423 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.147 13.899 2.028 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.225 15.069 1.973 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.026 15.233 3.246 1.00 0.00 H new ATOM 818 N TRP A 54 -1.253 10.088 -0.607 1.00 0.00 N ATOM 819 CA TRP A 54 -0.242 9.324 -1.328 1.00 0.00 C ATOM 820 C TRP A 54 -0.009 7.970 -0.667 1.00 0.00 C ATOM 821 O TRP A 54 0.461 7.896 0.468 1.00 0.00 O ATOM 822 CB TRP A 54 1.071 10.107 -1.390 1.00 0.00 C ATOM 823 CG TRP A 54 0.899 11.517 -1.869 1.00 0.00 C ATOM 824 CD1 TRP A 54 1.132 12.659 -1.157 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.455 11.933 -3.165 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.860 13.760 -1.933 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.444 13.342 -3.169 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.068 11.254 -4.323 1.00 0.00 C ATOM 829 CZ2 TRP A 54 0.060 14.080 -4.285 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.313 11.988 -5.431 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.314 13.389 -5.406 1.00 0.00 C ATOM 0 H TRP A 54 -0.950 10.435 0.303 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.605 9.155 -2.342 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.525 10.120 -0.399 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.765 9.588 -2.052 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.479 12.692 -0.135 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.953 14.731 -1.636 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.066 10.174 -4.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.057 15.160 -4.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.615 11.473 -6.331 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.616 13.934 -6.288 1.00 0.00 H new ATOM 842 N TRP A 55 -0.340 6.902 -1.384 1.00 0.00 N ATOM 843 CA TRP A 55 -0.166 5.550 -0.866 1.00 0.00 C ATOM 844 C TRP A 55 0.941 4.817 -1.616 1.00 0.00 C ATOM 845 O TRP A 55 0.965 4.805 -2.847 1.00 0.00 O ATOM 846 CB TRP A 55 -1.476 4.768 -0.973 1.00 0.00 C ATOM 847 CG TRP A 55 -2.350 4.905 0.237 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.135 5.714 1.316 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.576 4.210 0.492 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.154 5.564 2.226 1.00 0.00 N ATOM 851 CE2 TRP A 55 -4.051 4.648 1.743 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.320 3.263 -0.217 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.234 4.169 2.300 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.494 2.788 0.336 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.942 3.242 1.584 1.00 0.00 C ATOM 0 H TRP A 55 -0.730 6.946 -2.325 1.00 0.00 H new ATOM 0 HA TRP A 55 0.120 5.624 0.183 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.025 5.111 -1.850 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.250 3.714 -1.131 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.289 6.374 1.436 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.230 6.055 3.117 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.983 2.909 -1.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.580 4.516 3.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.076 2.055 -0.202 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.864 2.853 1.989 1.00 0.00 H new ATOM 866 N ARG A 56 1.854 4.207 -0.868 1.00 0.00 N ATOM 867 CA ARG A 56 2.964 3.473 -1.464 1.00 0.00 C ATOM 868 C ARG A 56 2.531 2.066 -1.866 1.00 0.00 C ATOM 869 O ARG A 56 2.162 1.252 -1.019 1.00 0.00 O ATOM 870 CB ARG A 56 4.137 3.397 -0.486 1.00 0.00 C ATOM 871 CG ARG A 56 5.377 2.742 -1.071 1.00 0.00 C ATOM 872 CD ARG A 56 6.509 2.686 -0.058 1.00 0.00 C ATOM 873 NE ARG A 56 6.422 1.503 0.795 1.00 0.00 N ATOM 874 CZ ARG A 56 7.456 0.998 1.458 1.00 0.00 C ATOM 875 NH1 ARG A 56 8.649 1.569 1.369 1.00 0.00 N ATOM 876 NH2 ARG A 56 7.297 -0.082 2.214 1.00 0.00 N ATOM 0 H ARG A 56 1.847 4.206 0.152 1.00 0.00 H new ATOM 0 HA ARG A 56 3.281 4.007 -2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.390 4.405 -0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.826 2.841 0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.134 1.733 -1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.702 3.297 -1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.465 2.686 -0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.486 3.582 0.562 1.00 0.00 H new ATOM 0 HE ARG A 56 5.518 1.040 0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.775 2.399 0.790 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.441 1.178 1.880 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.381 -0.524 2.286 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.091 -0.470 2.723 1.00 0.00 H new ATOM 890 N VAL A 57 2.578 1.787 -3.165 1.00 0.00 N ATOM 891 CA VAL A 57 2.192 0.478 -3.680 1.00 0.00 C ATOM 892 C VAL A 57 3.286 -0.109 -4.564 1.00 0.00 C ATOM 893 O VAL A 57 4.271 0.559 -4.875 1.00 0.00 O ATOM 894 CB VAL A 57 0.882 0.557 -4.487 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.230 1.163 -3.644 1.00 0.00 C ATOM 896 CG2 VAL A 57 1.091 1.358 -5.764 1.00 0.00 C ATOM 0 H VAL A 57 2.879 2.449 -3.880 1.00 0.00 H new ATOM 0 HA VAL A 57 2.040 -0.170 -2.817 1.00 0.00 H new ATOM 0 HB VAL A 57 0.585 -0.455 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.147 1.210 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.396 0.545 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.055 2.168 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.156 1.404 -6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.413 2.368 -5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.855 0.876 -6.375 1.00 0.00 H new ATOM 906 N GLN A 58 3.105 -1.363 -4.965 1.00 0.00 N ATOM 907 CA GLN A 58 4.078 -2.041 -5.814 1.00 0.00 C ATOM 908 C GLN A 58 3.381 -2.844 -6.907 1.00 0.00 C ATOM 909 O GLN A 58 2.365 -3.495 -6.661 1.00 0.00 O ATOM 910 CB GLN A 58 4.964 -2.963 -4.974 1.00 0.00 C ATOM 911 CG GLN A 58 5.884 -3.845 -5.803 1.00 0.00 C ATOM 912 CD GLN A 58 6.573 -4.911 -4.975 1.00 0.00 C ATOM 913 OE1 GLN A 58 6.280 -6.100 -5.104 1.00 0.00 O ATOM 914 NE2 GLN A 58 7.496 -4.490 -4.118 1.00 0.00 N ATOM 0 H GLN A 58 2.294 -1.930 -4.716 1.00 0.00 H new ATOM 0 HA GLN A 58 4.701 -1.282 -6.287 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.567 -2.357 -4.299 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.330 -3.596 -4.353 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.307 -4.322 -6.595 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.637 -3.224 -6.288 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.707 -3.495 -4.044 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.994 -5.162 -3.534 1.00 0.00 H new ATOM 923 N ASP A 59 3.933 -2.794 -8.114 1.00 0.00 N ATOM 924 CA ASP A 59 3.364 -3.517 -9.246 1.00 0.00 C ATOM 925 C ASP A 59 3.728 -4.997 -9.183 1.00 0.00 C ATOM 926 O ASP A 59 4.656 -5.389 -8.475 1.00 0.00 O ATOM 927 CB ASP A 59 3.855 -2.914 -10.563 1.00 0.00 C ATOM 928 CG ASP A 59 3.115 -3.468 -11.765 1.00 0.00 C ATOM 929 OD1 ASP A 59 1.932 -3.115 -11.947 1.00 0.00 O ATOM 930 OD2 ASP A 59 3.720 -4.255 -12.523 1.00 0.00 O ATOM 0 H ASP A 59 4.774 -2.260 -8.334 1.00 0.00 H new ATOM 0 HA ASP A 59 2.279 -3.425 -9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.732 -1.831 -10.532 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.921 -3.111 -10.674 1.00 0.00 H new ATOM 935 N ARG A 60 2.990 -5.815 -9.926 1.00 0.00 N ATOM 936 CA ARG A 60 3.233 -7.252 -9.952 1.00 0.00 C ATOM 937 C ARG A 60 4.651 -7.555 -10.427 1.00 0.00 C ATOM 938 O ARG A 60 5.237 -8.571 -10.055 1.00 0.00 O ATOM 939 CB ARG A 60 2.220 -7.946 -10.865 1.00 0.00 C ATOM 940 CG ARG A 60 2.479 -9.433 -11.043 1.00 0.00 C ATOM 941 CD ARG A 60 2.063 -10.223 -9.812 1.00 0.00 C ATOM 942 NE ARG A 60 2.830 -11.457 -9.668 1.00 0.00 N ATOM 943 CZ ARG A 60 2.933 -12.130 -8.527 1.00 0.00 C ATOM 944 NH1 ARG A 60 2.319 -11.690 -7.437 1.00 0.00 N ATOM 945 NH2 ARG A 60 3.650 -13.245 -8.476 1.00 0.00 N ATOM 0 H ARG A 60 2.219 -5.507 -10.518 1.00 0.00 H new ATOM 0 HA ARG A 60 3.118 -7.633 -8.937 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.219 -7.807 -10.456 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.235 -7.464 -11.842 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.931 -9.797 -11.912 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.538 -9.598 -11.241 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.198 -9.607 -8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.001 -10.462 -9.876 1.00 0.00 H new ATOM 0 HE ARG A 60 3.313 -11.823 -10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.766 -10.833 -7.474 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.399 -12.208 -6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.123 -13.586 -9.313 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.729 -13.761 -7.600 1.00 0.00 H new ATOM 959 N ASN A 61 5.197 -6.665 -11.250 1.00 0.00 N ATOM 960 CA ASN A 61 6.546 -6.837 -11.776 1.00 0.00 C ATOM 961 C ASN A 61 7.590 -6.421 -10.744 1.00 0.00 C ATOM 962 O ASN A 61 8.530 -7.163 -10.462 1.00 0.00 O ATOM 963 CB ASN A 61 6.725 -6.020 -13.057 1.00 0.00 C ATOM 964 CG ASN A 61 6.262 -6.771 -14.291 1.00 0.00 C ATOM 965 OD1 ASN A 61 6.726 -7.877 -14.569 1.00 0.00 O ATOM 966 ND2 ASN A 61 5.342 -6.171 -15.038 1.00 0.00 N ATOM 0 H ASN A 61 4.726 -5.818 -11.567 1.00 0.00 H new ATOM 0 HA ASN A 61 6.688 -7.893 -12.004 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.166 -5.088 -12.971 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.776 -5.753 -13.170 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.992 -6.627 -15.880 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.986 -5.254 -14.769 1.00 0.00 H new ATOM 973 N GLY A 62 7.416 -5.228 -10.183 1.00 0.00 N ATOM 974 CA GLY A 62 8.350 -4.733 -9.189 1.00 0.00 C ATOM 975 C GLY A 62 8.533 -3.230 -9.262 1.00 0.00 C ATOM 976 O GLY A 62 9.625 -2.717 -9.017 1.00 0.00 O ATOM 0 H GLY A 62 6.645 -4.596 -10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.995 -5.005 -8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.315 -5.220 -9.327 1.00 0.00 H new ATOM 980 N HIS A 63 7.461 -2.521 -9.602 1.00 0.00 N ATOM 981 CA HIS A 63 7.508 -1.067 -9.708 1.00 0.00 C ATOM 982 C HIS A 63 6.718 -0.414 -8.578 1.00 0.00 C ATOM 983 O HIS A 63 5.513 -0.624 -8.449 1.00 0.00 O ATOM 984 CB HIS A 63 6.955 -0.615 -11.060 1.00 0.00 C ATOM 985 CG HIS A 63 7.453 -1.430 -12.213 1.00 0.00 C ATOM 986 ND1 HIS A 63 6.747 -1.582 -13.388 1.00 0.00 N ATOM 987 CD2 HIS A 63 8.596 -2.138 -12.369 1.00 0.00 C ATOM 988 CE1 HIS A 63 7.433 -2.350 -14.215 1.00 0.00 C ATOM 989 NE2 HIS A 63 8.559 -2.701 -13.621 1.00 0.00 N ATOM 0 H HIS A 63 6.550 -2.930 -9.809 1.00 0.00 H new ATOM 0 HA HIS A 63 8.549 -0.755 -9.627 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.866 -0.665 -11.033 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.222 0.429 -11.222 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.390 -2.241 -11.644 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.125 -2.641 -15.208 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.283 -3.294 -14.026 1.00 0.00 H new ATOM 998 N GLU A 64 7.407 0.378 -7.761 1.00 0.00 N ATOM 999 CA GLU A 64 6.769 1.060 -6.642 1.00 0.00 C ATOM 1000 C GLU A 64 6.709 2.566 -6.884 1.00 0.00 C ATOM 1001 O GLU A 64 7.174 3.059 -7.910 1.00 0.00 O ATOM 1002 CB GLU A 64 7.524 0.771 -5.342 1.00 0.00 C ATOM 1003 CG GLU A 64 8.002 -0.666 -5.223 1.00 0.00 C ATOM 1004 CD GLU A 64 9.249 -0.798 -4.370 1.00 0.00 C ATOM 1005 OE1 GLU A 64 10.229 -0.071 -4.638 1.00 0.00 O ATOM 1006 OE2 GLU A 64 9.245 -1.626 -3.436 1.00 0.00 O ATOM 0 H GLU A 64 8.406 0.562 -7.854 1.00 0.00 H new ATOM 0 HA GLU A 64 5.750 0.683 -6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.384 1.438 -5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.876 1.001 -4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.207 -1.275 -4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.204 -1.061 -6.219 1.00 0.00 H new ATOM 1013 N GLY A 65 6.132 3.290 -5.930 1.00 0.00 N ATOM 1014 CA GLY A 65 6.021 4.732 -6.058 1.00 0.00 C ATOM 1015 C GLY A 65 4.771 5.278 -5.396 1.00 0.00 C ATOM 1016 O GLY A 65 3.873 4.520 -5.030 1.00 0.00 O ATOM 0 H GLY A 65 5.740 2.904 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.899 5.202 -5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.016 5.001 -7.114 1.00 0.00 H new ATOM 1020 N TYR A 66 4.714 6.596 -5.242 1.00 0.00 N ATOM 1021 CA TYR A 66 3.567 7.243 -4.616 1.00 0.00 C ATOM 1022 C TYR A 66 2.466 7.508 -5.638 1.00 0.00 C ATOM 1023 O TYR A 66 2.733 7.957 -6.753 1.00 0.00 O ATOM 1024 CB TYR A 66 3.992 8.555 -3.956 1.00 0.00 C ATOM 1025 CG TYR A 66 4.925 8.367 -2.781 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.555 7.586 -1.693 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.176 8.971 -2.758 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.404 7.412 -0.617 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.032 8.802 -1.687 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.641 8.022 -0.618 1.00 0.00 C ATOM 1031 OH TYR A 66 7.490 7.851 0.451 1.00 0.00 O ATOM 0 H TYR A 66 5.448 7.237 -5.542 1.00 0.00 H new ATOM 0 HA TYR A 66 3.175 6.571 -3.853 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.480 9.185 -4.700 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.102 9.088 -3.621 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.587 7.107 -1.688 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.485 9.584 -3.592 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.101 6.801 0.221 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.002 9.278 -1.686 1.00 0.00 H new ATOM 0 HH TYR A 66 8.320 8.346 0.292 1.00 0.00 H new ATOM 1041 N VAL A 67 1.226 7.228 -5.250 1.00 0.00 N ATOM 1042 CA VAL A 67 0.083 7.438 -6.130 1.00 0.00 C ATOM 1043 C VAL A 67 -1.141 7.891 -5.343 1.00 0.00 C ATOM 1044 O VAL A 67 -1.274 7.626 -4.148 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.267 6.157 -6.910 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.705 5.951 -8.062 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.269 4.952 -5.982 1.00 0.00 C ATOM 0 H VAL A 67 0.987 6.855 -4.331 1.00 0.00 H new ATOM 0 HA VAL A 67 0.366 8.219 -6.836 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.268 6.268 -7.326 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.442 5.041 -8.602 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.652 6.803 -8.740 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.719 5.861 -7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.518 4.056 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.718 4.835 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.008 5.100 -5.195 1.00 0.00 H new ATOM 1057 N PRO A 68 -2.059 8.590 -6.027 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.291 9.094 -5.412 1.00 0.00 C ATOM 1059 C PRO A 68 -4.263 7.973 -5.060 1.00 0.00 C ATOM 1060 O PRO A 68 -4.851 7.348 -5.943 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.885 9.997 -6.495 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.340 9.462 -7.775 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.966 8.941 -7.454 1.00 0.00 C ATOM 0 HA PRO A 68 -3.096 9.607 -4.470 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.974 9.964 -6.484 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.596 11.037 -6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.976 8.669 -8.169 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.294 10.241 -8.536 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.712 8.075 -8.065 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.199 9.694 -7.633 1.00 0.00 H new ATOM 1071 N SER A 69 -4.429 7.724 -3.765 1.00 0.00 N ATOM 1072 CA SER A 69 -5.328 6.676 -3.296 1.00 0.00 C ATOM 1073 C SER A 69 -6.634 6.689 -4.086 1.00 0.00 C ATOM 1074 O SER A 69 -7.203 5.638 -4.382 1.00 0.00 O ATOM 1075 CB SER A 69 -5.619 6.854 -1.805 1.00 0.00 C ATOM 1076 OG SER A 69 -6.408 8.008 -1.572 1.00 0.00 O ATOM 0 H SER A 69 -3.952 8.234 -3.021 1.00 0.00 H new ATOM 0 HA SER A 69 -4.839 5.714 -3.451 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.137 5.973 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.681 6.934 -1.256 1.00 0.00 H new ATOM 0 HG SER A 69 -6.581 8.098 -0.612 1.00 0.00 H new ATOM 1082 N SER A 70 -7.103 7.886 -4.422 1.00 0.00 N ATOM 1083 CA SER A 70 -8.344 8.036 -5.174 1.00 0.00 C ATOM 1084 C SER A 70 -8.435 6.997 -6.287 1.00 0.00 C ATOM 1085 O SER A 70 -9.481 6.382 -6.493 1.00 0.00 O ATOM 1086 CB SER A 70 -8.438 9.444 -5.766 1.00 0.00 C ATOM 1087 OG SER A 70 -7.224 9.816 -6.394 1.00 0.00 O ATOM 0 H SER A 70 -6.643 8.765 -4.186 1.00 0.00 H new ATOM 0 HA SER A 70 -9.177 7.881 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.252 9.484 -6.490 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.677 10.158 -4.978 1.00 0.00 H new ATOM 0 HG SER A 70 -7.311 10.719 -6.765 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.331 6.807 -7.002 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.285 5.845 -8.096 1.00 0.00 C ATOM 1095 C TYR A 71 -7.370 4.416 -7.568 1.00 0.00 C ATOM 1096 O TYR A 71 -8.113 3.588 -8.099 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.002 6.025 -8.908 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.021 7.238 -9.810 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.308 8.500 -9.305 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.754 7.122 -11.169 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.328 9.611 -10.126 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.770 8.227 -11.997 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.058 9.470 -11.471 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.076 10.573 -12.293 1.00 0.00 O ATOM 0 H TYR A 71 -6.456 7.307 -6.843 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.144 6.026 -8.742 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.157 6.105 -8.224 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.838 5.134 -9.514 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.519 8.615 -8.252 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.530 6.151 -11.585 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.554 10.585 -9.717 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.558 8.119 -13.051 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.864 10.301 -13.210 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.606 4.133 -6.519 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.593 2.804 -5.917 1.00 0.00 C ATOM 1116 C LEU A 72 -7.920 2.508 -5.226 1.00 0.00 C ATOM 1117 O LEU A 72 -8.582 3.412 -4.716 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.445 2.688 -4.914 1.00 0.00 C ATOM 1119 CG LEU A 72 -4.050 3.014 -5.450 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -3.004 2.835 -4.360 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.724 2.141 -6.653 1.00 0.00 C ATOM 0 H LEU A 72 -5.987 4.806 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.447 2.073 -6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.654 3.351 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.433 1.671 -4.522 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.038 4.056 -5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.018 3.071 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.228 3.502 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.016 1.803 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.728 2.386 -7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.754 1.092 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.456 2.319 -7.441 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.302 1.235 -5.209 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.548 0.818 -4.577 1.00 0.00 C ATOM 1135 C VAL A 73 -9.403 -0.554 -3.928 1.00 0.00 C ATOM 1136 O VAL A 73 -8.873 -1.485 -4.535 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.705 0.774 -5.592 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.647 1.978 -6.520 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.669 -0.524 -6.385 1.00 0.00 C ATOM 0 H VAL A 73 -7.766 0.474 -5.626 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.776 1.557 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.647 0.812 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.472 1.930 -7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.726 2.893 -5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.701 1.975 -7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.494 -0.538 -7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.724 -0.596 -6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.764 -1.369 -5.704 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.878 -0.672 -2.692 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.800 -1.931 -1.961 1.00 0.00 C ATOM 1151 C GLU A 74 -10.629 -3.012 -2.650 1.00 0.00 C ATOM 1152 O GLU A 74 -11.859 -2.956 -2.657 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.283 -1.742 -0.522 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.750 -2.788 0.442 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.695 -3.053 1.598 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.628 -2.310 2.600 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -11.501 -4.001 1.501 1.00 0.00 O ATOM 0 H GLU A 74 -10.321 0.089 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.758 -2.250 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.983 -0.753 -0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.373 -1.768 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.574 -3.718 -0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.787 -2.459 0.833 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.947 -3.994 -3.229 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.618 -5.088 -3.920 1.00 0.00 C ATOM 1166 C LYS A 75 -11.635 -5.766 -3.007 1.00 0.00 C ATOM 1167 O LYS A 75 -11.288 -6.265 -1.937 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.593 -6.114 -4.409 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.182 -7.172 -5.327 1.00 0.00 C ATOM 1170 CD LYS A 75 -9.156 -8.234 -5.684 1.00 0.00 C ATOM 1171 CE LYS A 75 -9.632 -9.103 -6.838 1.00 0.00 C ATOM 1172 NZ LYS A 75 -9.546 -8.390 -8.142 1.00 0.00 N ATOM 0 H LYS A 75 -8.929 -4.055 -3.233 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.146 -4.673 -4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.793 -5.593 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.142 -6.604 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.038 -7.641 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.551 -6.700 -6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.214 -7.756 -5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.960 -8.859 -4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.031 -10.011 -6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.662 -9.411 -6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.732 -9.059 -8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.251 -7.626 -8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.594 -7.986 -8.255 1.00 0.00 H new