USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 ASN : amide:sc= -13.3! C(o=-20!,f=-22!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -164:sc= -6.88! (180deg=-6.88!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.907 F(o=-2.5!,f=-0.91) USER MOD Single : A 34 HIS :FLIP no HE2:sc= -14.5! C(o=-16!,f=-15!) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.348 F(o=-3.8,f=-0.35) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 77:sc=-0.00999 USER MOD Single : A 49 MET CE :methyl -111:sc= -0.633 (180deg=-3.98!) USER MOD Single : A 53 MET CE :methyl -162:sc= -0.0412 (180deg=-0.437) USER MOD Single : A 60 ASN : amide:sc= -0.0377 X(o=-0.038,f=0.13) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.788 K(o=-0.79,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 6.984 2.810 -0.970 1.00 0.00 N ATOM 363 CA VAL A 26 6.890 4.255 -1.140 1.00 0.00 C ATOM 364 C VAL A 26 5.499 4.760 -0.774 1.00 0.00 C ATOM 365 O VAL A 26 5.355 5.734 -0.035 1.00 0.00 O ATOM 366 CB VAL A 26 7.242 4.685 -2.584 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.107 4.393 -3.554 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.617 6.159 -2.625 1.00 0.00 C ATOM 0 HA VAL A 26 7.618 4.703 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 26 8.102 4.095 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.395 4.710 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.898 3.323 -3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.214 4.936 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.862 6.444 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.777 6.758 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.481 6.333 -1.984 1.00 0.00 H new ATOM 378 N LEU A 27 4.481 4.084 -1.290 1.00 0.00 N ATOM 379 CA LEU A 27 3.100 4.465 -1.013 1.00 0.00 C ATOM 380 C LEU A 27 2.821 4.417 0.483 1.00 0.00 C ATOM 381 O LEU A 27 2.299 5.371 1.056 1.00 0.00 O ATOM 382 CB LEU A 27 2.123 3.541 -1.744 1.00 0.00 C ATOM 383 CG LEU A 27 2.232 3.535 -3.272 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.173 2.624 -3.876 1.00 0.00 C ATOM 385 CD2 LEU A 27 2.112 4.947 -3.828 1.00 0.00 C ATOM 0 H LEU A 27 4.583 3.273 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 27 2.958 5.485 -1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.275 2.524 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.107 3.828 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 27 3.214 3.149 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.264 2.631 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.313 1.608 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.182 2.980 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.192 4.918 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.147 5.368 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.911 5.567 -3.421 1.00 0.00 H new ATOM 397 N GLY A 28 3.167 3.293 1.107 1.00 0.00 N ATOM 398 CA GLY A 28 2.937 3.130 2.531 1.00 0.00 C ATOM 399 C GLY A 28 3.678 4.152 3.368 1.00 0.00 C ATOM 400 O GLY A 28 3.106 4.736 4.291 1.00 0.00 O ATOM 0 H GLY A 28 3.603 2.492 0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.869 3.208 2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.246 2.129 2.832 1.00 0.00 H new ATOM 404 N GLU A 29 4.947 4.370 3.054 1.00 0.00 N ATOM 405 CA GLU A 29 5.761 5.331 3.791 1.00 0.00 C ATOM 406 C GLU A 29 5.130 6.722 3.753 1.00 0.00 C ATOM 407 O GLU A 29 4.897 7.338 4.793 1.00 0.00 O ATOM 408 CB GLU A 29 7.174 5.383 3.207 1.00 0.00 C ATOM 409 CG GLU A 29 8.006 4.150 3.516 1.00 0.00 C ATOM 410 CD GLU A 29 8.513 4.133 4.945 1.00 0.00 C ATOM 411 OE1 GLU A 29 9.337 5.006 5.293 1.00 0.00 O ATOM 412 OE2 GLU A 29 8.088 3.249 5.716 1.00 0.00 O ATOM 0 H GLU A 29 5.437 3.896 2.295 1.00 0.00 H new ATOM 0 HA GLU A 29 5.815 5.005 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.107 5.504 2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.686 6.263 3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.407 3.257 3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.854 4.108 2.833 1.00 0.00 H new ATOM 419 N ARG A 30 4.862 7.208 2.548 1.00 0.00 N ATOM 420 CA ARG A 30 4.267 8.530 2.366 1.00 0.00 C ATOM 421 C ARG A 30 2.814 8.562 2.839 1.00 0.00 C ATOM 422 O ARG A 30 2.283 9.626 3.158 1.00 0.00 O ATOM 423 CB ARG A 30 4.333 8.942 0.894 1.00 0.00 C ATOM 424 CG ARG A 30 5.716 9.379 0.443 1.00 0.00 C ATOM 425 CD ARG A 30 5.637 10.486 -0.594 1.00 0.00 C ATOM 426 NE ARG A 30 4.983 10.043 -1.823 1.00 0.00 N ATOM 427 CZ ARG A 30 5.183 10.599 -3.015 1.00 0.00 C ATOM 428 NH1 ARG A 30 6.017 11.623 -3.147 1.00 0.00 N ATOM 429 NH2 ARG A 30 4.548 10.132 -4.082 1.00 0.00 N ATOM 0 H ARG A 30 5.047 6.707 1.679 1.00 0.00 H new ATOM 0 HA ARG A 30 4.840 9.233 2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.007 8.105 0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.630 9.757 0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.289 9.725 1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.251 8.526 0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.091 11.333 -0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.642 10.838 -0.825 1.00 0.00 H new ATOM 0 HE ARG A 30 4.333 9.259 -1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.509 11.988 -2.332 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.166 12.045 -4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.905 9.345 -3.989 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.703 10.559 -4.995 1.00 0.00 H new ATOM 443 N LEU A 31 2.171 7.399 2.867 1.00 0.00 N ATOM 444 CA LEU A 31 0.788 7.303 3.281 1.00 0.00 C ATOM 445 C LEU A 31 0.659 7.456 4.799 1.00 0.00 C ATOM 446 O LEU A 31 0.008 8.376 5.287 1.00 0.00 O ATOM 447 CB LEU A 31 0.222 5.960 2.794 1.00 0.00 C ATOM 448 CG LEU A 31 -0.798 5.288 3.709 1.00 0.00 C ATOM 449 CD1 LEU A 31 -1.992 4.786 2.910 1.00 0.00 C ATOM 450 CD2 LEU A 31 -0.162 4.140 4.474 1.00 0.00 C ATOM 0 H LEU A 31 2.594 6.509 2.605 1.00 0.00 H new ATOM 0 HA LEU A 31 0.211 8.114 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.242 6.116 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.054 5.272 2.644 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.147 6.032 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.706 4.311 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.471 5.625 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.655 4.062 2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.907 3.676 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.219 3.400 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.659 4.519 5.082 1.00 0.00 H new ATOM 462 N TYR A 32 1.290 6.549 5.537 1.00 0.00 N ATOM 463 CA TYR A 32 1.257 6.573 7.001 1.00 0.00 C ATOM 464 C TYR A 32 1.482 7.989 7.530 1.00 0.00 C ATOM 465 O TYR A 32 0.986 8.350 8.597 1.00 0.00 O ATOM 466 CB TYR A 32 2.329 5.612 7.539 1.00 0.00 C ATOM 467 CG TYR A 32 2.329 5.411 9.040 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.689 6.435 9.903 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.990 4.181 9.593 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.710 6.245 11.273 1.00 0.00 C ATOM 471 CE2 TYR A 32 2.010 3.980 10.961 1.00 0.00 C ATOM 472 CZ TYR A 32 2.369 5.015 11.797 1.00 0.00 C ATOM 473 OH TYR A 32 2.395 4.822 13.159 1.00 0.00 O ATOM 0 H TYR A 32 1.835 5.781 5.145 1.00 0.00 H new ATOM 0 HA TYR A 32 0.274 6.250 7.345 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.196 4.642 7.060 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.309 5.984 7.240 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.958 7.399 9.498 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.706 3.368 8.942 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.992 7.055 11.929 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.746 3.017 11.372 1.00 0.00 H new ATOM 0 HH TYR A 32 2.127 3.902 13.364 1.00 0.00 H new ATOM 483 N ASN A 33 2.239 8.781 6.775 1.00 0.00 N ATOM 484 CA ASN A 33 2.540 10.160 7.151 1.00 0.00 C ATOM 485 C ASN A 33 1.308 11.050 7.045 1.00 0.00 C ATOM 486 O ASN A 33 1.123 11.971 7.838 1.00 0.00 O ATOM 487 CB ASN A 33 3.658 10.699 6.248 1.00 0.00 C ATOM 488 CG ASN A 33 3.729 12.218 6.214 1.00 0.00 C ATOM 489 OD1 ASN A 33 2.742 12.850 5.581 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 4.663 12.816 6.749 1.00 0.00 N flip ATOM 0 H ASN A 33 2.658 8.488 5.892 1.00 0.00 H new ATOM 0 HA ASN A 33 2.865 10.170 8.191 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.614 10.306 6.593 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.507 10.327 5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.399 12.293 7.224 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.701 13.835 6.718 1.00 0.00 H new ATOM 497 N HIS A 34 0.482 10.791 6.045 1.00 0.00 N ATOM 498 CA HIS A 34 -0.711 11.592 5.837 1.00 0.00 C ATOM 499 C HIS A 34 -1.649 11.475 7.030 1.00 0.00 C ATOM 500 O HIS A 34 -2.284 12.445 7.443 1.00 0.00 O ATOM 501 CB HIS A 34 -1.436 11.151 4.557 1.00 0.00 C ATOM 502 CG HIS A 34 -2.203 9.865 4.684 1.00 0.00 C ATOM 503 ND1 HIS A 34 -3.156 9.501 5.562 1.00 0.00 N flip ATOM 504 CD2 HIS A 34 -2.025 8.779 3.854 1.00 0.00 C flip ATOM 505 CE1 HIS A 34 -3.535 8.225 5.264 1.00 0.00 C flip ATOM 506 NE2 HIS A 34 -2.837 7.806 4.231 1.00 0.00 N flip ATOM 0 H HIS A 34 0.614 10.038 5.370 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.408 12.634 5.731 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.124 11.941 4.254 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.702 11.044 3.758 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.529 10.077 6.317 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.332 8.731 3.027 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.285 7.653 5.790 1.00 0.00 H new ATOM 515 N ILE A 35 -1.750 10.262 7.541 1.00 0.00 N ATOM 516 CA ILE A 35 -2.638 9.961 8.660 1.00 0.00 C ATOM 517 C ILE A 35 -1.932 9.982 10.021 1.00 0.00 C ATOM 518 O ILE A 35 -2.567 10.266 11.032 1.00 0.00 O ATOM 519 CB ILE A 35 -3.350 8.598 8.464 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.143 8.211 9.712 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.355 7.507 8.110 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.221 7.186 9.435 1.00 0.00 C ATOM 0 H ILE A 35 -1.224 9.458 7.198 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.378 10.761 8.666 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.047 8.706 7.633 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.458 7.816 10.462 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.600 9.105 10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.882 6.562 7.978 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.842 7.768 7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.625 7.406 8.913 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.748 6.953 10.360 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.926 7.587 8.707 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.767 6.278 9.038 1.00 0.00 H new ATOM 534 N VAL A 36 -0.636 9.672 10.074 1.00 0.00 N ATOM 535 CA VAL A 36 0.067 9.666 11.364 1.00 0.00 C ATOM 536 C VAL A 36 -0.203 10.953 12.135 1.00 0.00 C ATOM 537 O VAL A 36 -0.562 10.920 13.311 1.00 0.00 O ATOM 538 CB VAL A 36 1.594 9.472 11.218 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.217 10.599 10.415 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.254 9.370 12.588 1.00 0.00 C ATOM 0 H VAL A 36 -0.063 9.428 9.266 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.325 8.812 11.916 1.00 0.00 H new ATOM 0 HB VAL A 36 1.762 8.540 10.678 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.291 10.434 10.330 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.774 10.625 9.420 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.034 11.548 10.918 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.328 9.234 12.465 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.066 10.284 13.151 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.840 8.519 13.129 1.00 0.00 H new ATOM 550 N ALA A 37 -0.032 12.087 11.465 1.00 0.00 N ATOM 551 CA ALA A 37 -0.262 13.379 12.091 1.00 0.00 C ATOM 552 C ALA A 37 -1.754 13.645 12.261 1.00 0.00 C ATOM 553 O ALA A 37 -2.165 14.378 13.162 1.00 0.00 O ATOM 554 CB ALA A 37 0.380 14.485 11.268 1.00 0.00 C ATOM 0 H ALA A 37 0.265 12.136 10.490 1.00 0.00 H new ATOM 0 HA ALA A 37 0.196 13.364 13.080 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.200 15.447 11.748 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.454 14.310 11.198 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.053 14.492 10.268 1.00 0.00 H new ATOM 560 N ILE A 38 -2.558 13.054 11.384 1.00 0.00 N ATOM 561 CA ILE A 38 -4.008 13.241 11.436 1.00 0.00 C ATOM 562 C ILE A 38 -4.675 12.222 12.364 1.00 0.00 C ATOM 563 O ILE A 38 -5.249 12.587 13.387 1.00 0.00 O ATOM 564 CB ILE A 38 -4.645 13.167 10.025 1.00 0.00 C ATOM 565 CG1 ILE A 38 -4.264 14.398 9.192 1.00 0.00 C ATOM 566 CG2 ILE A 38 -6.162 13.061 10.123 1.00 0.00 C ATOM 567 CD1 ILE A 38 -2.778 14.693 9.159 1.00 0.00 C ATOM 0 H ILE A 38 -2.236 12.445 10.632 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.180 14.239 11.839 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.261 12.275 9.531 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.617 14.254 8.171 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.786 15.268 9.590 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.589 13.010 9.121 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.429 12.161 10.677 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.555 13.936 10.641 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.596 15.578 8.549 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.420 14.871 10.173 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.248 13.842 8.731 1.00 0.00 H new ATOM 579 N ASN A 39 -4.591 10.944 12.005 1.00 0.00 N ATOM 580 CA ASN A 39 -5.185 9.882 12.813 1.00 0.00 C ATOM 581 C ASN A 39 -4.139 8.841 13.214 1.00 0.00 C ATOM 582 O ASN A 39 -4.050 7.772 12.611 1.00 0.00 O ATOM 583 CB ASN A 39 -6.334 9.213 12.056 1.00 0.00 C ATOM 584 CG ASN A 39 -7.613 9.189 12.867 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.173 8.002 13.056 1.00 0.00 O flip ATOM 586 ND2 ASN A 39 -8.091 10.228 13.318 1.00 0.00 N flip ATOM 0 H ASN A 39 -4.118 10.619 11.162 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.578 10.335 13.723 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.509 9.744 11.120 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.051 8.193 11.796 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.626 11.120 13.148 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.953 10.199 13.863 1.00 0.00 H new ATOM 593 N PRO A 40 -3.327 9.147 14.239 1.00 0.00 N ATOM 594 CA PRO A 40 -2.282 8.236 14.718 1.00 0.00 C ATOM 595 C PRO A 40 -2.810 6.841 15.035 1.00 0.00 C ATOM 596 O PRO A 40 -2.134 5.842 14.792 1.00 0.00 O ATOM 597 CB PRO A 40 -1.780 8.903 16.001 1.00 0.00 C ATOM 598 CG PRO A 40 -2.116 10.345 15.849 1.00 0.00 C ATOM 599 CD PRO A 40 -3.362 10.406 15.007 1.00 0.00 C ATOM 0 HA PRO A 40 -1.513 8.086 13.960 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.262 8.477 16.881 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.707 8.760 16.125 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.281 10.810 16.821 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.299 10.886 15.372 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.259 10.474 15.623 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.359 11.276 14.350 1.00 0.00 H new ATOM 607 N ALA A 41 -4.014 6.777 15.594 1.00 0.00 N ATOM 608 CA ALA A 41 -4.621 5.500 15.960 1.00 0.00 C ATOM 609 C ALA A 41 -5.371 4.873 14.786 1.00 0.00 C ATOM 610 O ALA A 41 -6.483 4.367 14.946 1.00 0.00 O ATOM 611 CB ALA A 41 -5.550 5.688 17.150 1.00 0.00 C ATOM 0 H ALA A 41 -4.589 7.593 15.804 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.820 4.814 16.237 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.998 4.731 17.416 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.982 6.071 17.998 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.336 6.397 16.890 1.00 0.00 H new ATOM 617 N ALA A 42 -4.750 4.893 13.612 1.00 0.00 N ATOM 618 CA ALA A 42 -5.342 4.315 12.413 1.00 0.00 C ATOM 619 C ALA A 42 -4.262 4.022 11.382 1.00 0.00 C ATOM 620 O ALA A 42 -4.306 3.004 10.694 1.00 0.00 O ATOM 621 CB ALA A 42 -6.399 5.241 11.830 1.00 0.00 C ATOM 0 H ALA A 42 -3.829 5.307 13.466 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.828 3.378 12.687 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.826 4.788 10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.186 5.404 12.566 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.943 6.196 11.570 1.00 0.00 H new ATOM 627 N ALA A 43 -3.284 4.926 11.295 1.00 0.00 N ATOM 628 CA ALA A 43 -2.167 4.781 10.367 1.00 0.00 C ATOM 629 C ALA A 43 -1.696 3.332 10.307 1.00 0.00 C ATOM 630 O ALA A 43 -1.630 2.731 9.237 1.00 0.00 O ATOM 631 CB ALA A 43 -1.022 5.687 10.798 1.00 0.00 C ATOM 0 H ALA A 43 -3.246 5.773 11.863 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.502 5.071 9.371 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.189 5.577 10.103 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.359 6.724 10.799 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.697 5.410 11.801 1.00 0.00 H new ATOM 637 N ALA A 44 -1.367 2.777 11.474 1.00 0.00 N ATOM 638 CA ALA A 44 -0.899 1.401 11.566 1.00 0.00 C ATOM 639 C ALA A 44 -1.837 0.443 10.838 1.00 0.00 C ATOM 640 O ALA A 44 -1.398 -0.545 10.250 1.00 0.00 O ATOM 641 CB ALA A 44 -0.749 0.991 13.023 1.00 0.00 C ATOM 0 H ALA A 44 -1.418 3.264 12.369 1.00 0.00 H new ATOM 0 HA ALA A 44 0.075 1.346 11.080 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.399 -0.040 13.077 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.028 1.645 13.513 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.713 1.073 13.525 1.00 0.00 H new ATOM 647 N LYS A 45 -3.128 0.745 10.881 1.00 0.00 N ATOM 648 CA LYS A 45 -4.133 -0.080 10.222 1.00 0.00 C ATOM 649 C LYS A 45 -4.246 0.288 8.747 1.00 0.00 C ATOM 650 O LYS A 45 -4.340 -0.580 7.881 1.00 0.00 O ATOM 651 CB LYS A 45 -5.492 0.101 10.899 1.00 0.00 C ATOM 652 CG LYS A 45 -5.502 -0.299 12.365 1.00 0.00 C ATOM 653 CD LYS A 45 -6.587 -1.324 12.657 1.00 0.00 C ATOM 654 CE LYS A 45 -6.114 -2.736 12.349 1.00 0.00 C ATOM 655 NZ LYS A 45 -7.021 -3.769 12.922 1.00 0.00 N ATOM 0 H LYS A 45 -3.505 1.558 11.367 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.825 -1.122 10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.794 1.145 10.814 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.236 -0.490 10.365 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.530 -0.709 12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.660 0.585 12.983 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.880 -1.257 13.705 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.473 -1.098 12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.051 -2.869 11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.109 -2.876 12.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.660 -4.716 12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.062 -3.660 13.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.975 -3.653 12.523 1.00 0.00 H new ATOM 669 N VAL A 46 -4.245 1.587 8.481 1.00 0.00 N ATOM 670 CA VAL A 46 -4.360 2.102 7.124 1.00 0.00 C ATOM 671 C VAL A 46 -3.138 1.754 6.280 1.00 0.00 C ATOM 672 O VAL A 46 -3.258 1.516 5.083 1.00 0.00 O ATOM 673 CB VAL A 46 -4.549 3.634 7.138 1.00 0.00 C ATOM 674 CG1 VAL A 46 -4.697 4.181 5.728 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.752 4.013 7.988 1.00 0.00 C ATOM 0 H VAL A 46 -4.165 2.310 9.196 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.234 1.628 6.677 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.657 4.080 7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.829 5.262 5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.803 3.946 5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.566 3.728 5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.871 5.096 7.987 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.649 3.549 7.577 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.600 3.665 9.010 1.00 0.00 H new ATOM 685 N THR A 47 -1.968 1.749 6.905 1.00 0.00 N ATOM 686 CA THR A 47 -0.720 1.455 6.209 1.00 0.00 C ATOM 687 C THR A 47 -0.552 -0.035 5.936 1.00 0.00 C ATOM 688 O THR A 47 -0.337 -0.442 4.796 1.00 0.00 O ATOM 689 CB THR A 47 0.456 1.981 7.032 1.00 0.00 C ATOM 690 OG1 THR A 47 0.246 3.336 7.381 1.00 0.00 O ATOM 691 CG2 THR A 47 1.786 1.895 6.317 1.00 0.00 C ATOM 0 H THR A 47 -1.856 1.947 7.899 1.00 0.00 H new ATOM 0 HA THR A 47 -0.748 1.955 5.241 1.00 0.00 H new ATOM 0 HB THR A 47 0.500 1.340 7.912 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.402 3.388 8.115 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.572 2.286 6.963 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.001 0.855 6.073 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.744 2.482 5.400 1.00 0.00 H new ATOM 699 N GLY A 48 -0.634 -0.843 6.983 1.00 0.00 N ATOM 700 CA GLY A 48 -0.470 -2.274 6.819 1.00 0.00 C ATOM 701 C GLY A 48 -1.585 -2.885 5.999 1.00 0.00 C ATOM 702 O GLY A 48 -1.337 -3.558 4.998 1.00 0.00 O ATOM 0 H GLY A 48 -0.810 -0.536 7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.486 -2.476 6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.439 -2.750 7.799 1.00 0.00 H new ATOM 706 N MET A 49 -2.813 -2.641 6.428 1.00 0.00 N ATOM 707 CA MET A 49 -3.980 -3.160 5.732 1.00 0.00 C ATOM 708 C MET A 49 -4.169 -2.452 4.395 1.00 0.00 C ATOM 709 O MET A 49 -4.354 -3.100 3.371 1.00 0.00 O ATOM 710 CB MET A 49 -5.237 -2.983 6.586 1.00 0.00 C ATOM 711 CG MET A 49 -5.064 -3.424 8.030 1.00 0.00 C ATOM 712 SD MET A 49 -4.389 -5.087 8.173 1.00 0.00 S ATOM 713 CE MET A 49 -2.717 -4.724 8.701 1.00 0.00 C ATOM 0 H MET A 49 -3.028 -2.086 7.256 1.00 0.00 H new ATOM 0 HA MET A 49 -3.818 -4.222 5.551 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.532 -1.934 6.569 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.053 -3.550 6.138 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.405 -2.724 8.543 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.029 -3.383 8.536 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.020 -4.975 7.901 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.632 -3.663 8.937 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.479 -5.313 9.587 1.00 0.00 H new ATOM 723 N LEU A 50 -4.151 -1.116 4.445 1.00 0.00 N ATOM 724 CA LEU A 50 -4.354 -0.251 3.267 1.00 0.00 C ATOM 725 C LEU A 50 -5.118 -0.934 2.133 1.00 0.00 C ATOM 726 O LEU A 50 -6.242 -0.545 1.812 1.00 0.00 O ATOM 727 CB LEU A 50 -3.019 0.254 2.724 1.00 0.00 C ATOM 728 CG LEU A 50 -3.132 1.431 1.750 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.117 2.481 2.259 1.00 0.00 C ATOM 730 CD2 LEU A 50 -1.763 2.047 1.509 1.00 0.00 C ATOM 0 H LEU A 50 -3.994 -0.596 5.308 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.961 0.582 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.390 0.552 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.511 -0.569 2.222 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.516 1.052 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.174 3.303 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.103 2.030 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.778 2.861 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.857 2.882 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.353 2.404 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.096 1.296 1.085 1.00 0.00 H new ATOM 742 N LEU A 51 -4.507 -1.944 1.524 1.00 0.00 N ATOM 743 CA LEU A 51 -5.137 -2.664 0.427 1.00 0.00 C ATOM 744 C LEU A 51 -6.303 -3.508 0.917 1.00 0.00 C ATOM 745 O LEU A 51 -6.223 -4.735 0.952 1.00 0.00 O ATOM 746 CB LEU A 51 -4.113 -3.549 -0.285 1.00 0.00 C ATOM 747 CG LEU A 51 -3.076 -2.789 -1.113 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.793 -2.606 -0.319 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.797 -3.517 -2.424 1.00 0.00 C ATOM 0 H LEU A 51 -3.577 -2.281 1.772 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.524 -1.927 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.593 -4.150 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.644 -4.241 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.479 -1.804 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.066 -2.063 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.004 -2.041 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.387 -3.582 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.057 -2.960 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.416 -4.516 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.719 -3.596 -3.000 1.00 0.00 H new ATOM 761 N GLU A 52 -7.392 -2.844 1.290 1.00 0.00 N ATOM 762 CA GLU A 52 -8.577 -3.538 1.772 1.00 0.00 C ATOM 763 C GLU A 52 -9.551 -3.792 0.625 1.00 0.00 C ATOM 764 O GLU A 52 -9.314 -3.372 -0.509 1.00 0.00 O ATOM 765 CB GLU A 52 -9.257 -2.727 2.876 1.00 0.00 C ATOM 766 CG GLU A 52 -8.688 -2.991 4.261 1.00 0.00 C ATOM 767 CD GLU A 52 -8.702 -4.461 4.630 1.00 0.00 C ATOM 768 OE1 GLU A 52 -9.427 -5.234 3.964 1.00 0.00 O ATOM 769 OE2 GLU A 52 -7.990 -4.842 5.581 1.00 0.00 O ATOM 0 H GLU A 52 -7.477 -1.828 1.267 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.270 -4.499 2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.160 -1.665 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.323 -2.956 2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.664 -2.619 4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.263 -2.430 4.998 1.00 0.00 H new ATOM 776 N MET A 53 -10.638 -4.495 0.921 1.00 0.00 N ATOM 777 CA MET A 53 -11.636 -4.820 -0.094 1.00 0.00 C ATOM 778 C MET A 53 -12.239 -3.562 -0.714 1.00 0.00 C ATOM 779 O MET A 53 -12.104 -3.327 -1.914 1.00 0.00 O ATOM 780 CB MET A 53 -12.739 -5.678 0.524 1.00 0.00 C ATOM 781 CG MET A 53 -12.371 -7.149 0.632 1.00 0.00 C ATOM 782 SD MET A 53 -12.184 -7.935 -0.978 1.00 0.00 S ATOM 783 CE MET A 53 -13.883 -7.940 -1.539 1.00 0.00 C ATOM 0 H MET A 53 -10.851 -4.851 1.853 1.00 0.00 H new ATOM 0 HA MET A 53 -11.139 -5.376 -0.889 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.973 -5.296 1.518 1.00 0.00 H new ATOM 0 HB3 MET A 53 -13.644 -5.581 -0.076 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.440 -7.247 1.191 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.140 -7.672 1.200 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.996 -8.659 -2.350 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.538 -8.219 -0.713 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.151 -6.945 -1.895 1.00 0.00 H new ATOM 793 N ASP A 54 -12.889 -2.748 0.110 1.00 0.00 N ATOM 794 CA ASP A 54 -13.494 -1.513 -0.368 1.00 0.00 C ATOM 795 C ASP A 54 -12.539 -0.354 -0.144 1.00 0.00 C ATOM 796 O ASP A 54 -11.988 0.204 -1.094 1.00 0.00 O ATOM 797 CB ASP A 54 -14.821 -1.258 0.346 1.00 0.00 C ATOM 798 CG ASP A 54 -15.456 0.059 -0.059 1.00 0.00 C ATOM 799 OD1 ASP A 54 -15.164 1.084 0.593 1.00 0.00 O ATOM 800 OD2 ASP A 54 -16.245 0.065 -1.026 1.00 0.00 O ATOM 0 H ASP A 54 -13.010 -2.921 1.108 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.694 -1.606 -1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.511 -2.073 0.126 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.657 -1.262 1.424 1.00 0.00 H new ATOM 805 N ASN A 55 -12.332 -0.014 1.124 1.00 0.00 N ATOM 806 CA ASN A 55 -11.423 1.064 1.496 1.00 0.00 C ATOM 807 C ASN A 55 -10.150 1.014 0.657 1.00 0.00 C ATOM 808 O ASN A 55 -9.537 2.042 0.371 1.00 0.00 O ATOM 809 CB ASN A 55 -11.070 0.948 2.983 1.00 0.00 C ATOM 810 CG ASN A 55 -10.026 1.957 3.428 1.00 0.00 C ATOM 811 OD1 ASN A 55 -9.289 1.718 4.378 1.00 0.00 O ATOM 812 ND2 ASN A 55 -9.951 3.087 2.743 1.00 0.00 N ATOM 0 H ASN A 55 -12.784 -0.472 1.915 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.919 2.017 1.310 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.974 1.084 3.577 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.704 -0.058 3.186 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.263 3.794 3.000 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.582 3.250 1.958 1.00 0.00 H new ATOM 819 N GLY A 56 -9.758 -0.196 0.272 1.00 0.00 N ATOM 820 CA GLY A 56 -8.564 -0.371 -0.524 1.00 0.00 C ATOM 821 C GLY A 56 -8.732 0.093 -1.958 1.00 0.00 C ATOM 822 O GLY A 56 -7.983 0.947 -2.425 1.00 0.00 O ATOM 0 H GLY A 56 -10.250 -1.060 0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.744 0.180 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.283 -1.424 -0.520 1.00 0.00 H new ATOM 826 N GLU A 57 -9.701 -0.481 -2.671 1.00 0.00 N ATOM 827 CA GLU A 57 -9.938 -0.124 -4.072 1.00 0.00 C ATOM 828 C GLU A 57 -9.636 1.344 -4.362 1.00 0.00 C ATOM 829 O GLU A 57 -8.844 1.661 -5.246 1.00 0.00 O ATOM 830 CB GLU A 57 -11.382 -0.416 -4.457 1.00 0.00 C ATOM 831 CG GLU A 57 -11.810 -1.853 -4.207 1.00 0.00 C ATOM 832 CD GLU A 57 -12.020 -2.635 -5.491 1.00 0.00 C ATOM 833 OE1 GLU A 57 -12.176 -1.999 -6.554 1.00 0.00 O ATOM 834 OE2 GLU A 57 -12.029 -3.882 -5.431 1.00 0.00 O ATOM 0 H GLU A 57 -10.333 -1.193 -2.304 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.257 -0.733 -4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.038 0.250 -3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.519 -0.185 -5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.054 -2.353 -3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.734 -1.857 -3.629 1.00 0.00 H new ATOM 841 N ILE A 58 -10.274 2.237 -3.609 1.00 0.00 N ATOM 842 CA ILE A 58 -10.069 3.669 -3.791 1.00 0.00 C ATOM 843 C ILE A 58 -8.589 4.021 -3.662 1.00 0.00 C ATOM 844 O ILE A 58 -8.058 4.809 -4.445 1.00 0.00 O ATOM 845 CB ILE A 58 -10.884 4.483 -2.765 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.375 4.172 -2.911 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.632 5.977 -2.934 1.00 0.00 C ATOM 848 CD1 ILE A 58 -12.876 3.147 -1.918 1.00 0.00 C ATOM 0 H ILE A 58 -10.934 1.994 -2.870 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.413 3.926 -4.793 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.561 4.197 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.944 5.094 -2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.566 3.811 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.218 6.530 -2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.573 6.186 -2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.925 6.284 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.940 2.975 -2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.332 2.212 -2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.717 3.514 -0.904 1.00 0.00 H new ATOM 860 N LEU A 59 -7.938 3.429 -2.663 1.00 0.00 N ATOM 861 CA LEU A 59 -6.520 3.662 -2.404 1.00 0.00 C ATOM 862 C LEU A 59 -5.722 3.800 -3.700 1.00 0.00 C ATOM 863 O LEU A 59 -4.766 4.570 -3.771 1.00 0.00 O ATOM 864 CB LEU A 59 -5.954 2.529 -1.541 1.00 0.00 C ATOM 865 CG LEU A 59 -5.362 1.332 -2.302 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.008 1.687 -2.900 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.231 0.135 -1.374 1.00 0.00 C ATOM 0 H LEU A 59 -8.377 2.777 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.427 4.605 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.179 2.943 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.748 2.163 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.038 1.075 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.609 0.825 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.123 2.521 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.321 1.970 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.811 -0.707 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.574 0.390 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.214 -0.137 -0.990 1.00 0.00 H new ATOM 879 N ASN A 60 -6.120 3.042 -4.717 1.00 0.00 N ATOM 880 CA ASN A 60 -5.438 3.073 -6.011 1.00 0.00 C ATOM 881 C ASN A 60 -5.164 4.506 -6.470 1.00 0.00 C ATOM 882 O ASN A 60 -4.215 4.758 -7.214 1.00 0.00 O ATOM 883 CB ASN A 60 -6.273 2.344 -7.067 1.00 0.00 C ATOM 884 CG ASN A 60 -5.424 1.798 -8.198 1.00 0.00 C ATOM 885 OD1 ASN A 60 -4.394 2.372 -8.551 1.00 0.00 O ATOM 886 ND2 ASN A 60 -5.853 0.681 -8.774 1.00 0.00 N ATOM 0 H ASN A 60 -6.910 2.399 -4.673 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.480 2.567 -5.890 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.816 1.525 -6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.018 3.028 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.323 0.266 -9.540 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.713 0.238 -8.450 1.00 0.00 H new ATOM 893 N LEU A 61 -6.000 5.443 -6.027 1.00 0.00 N ATOM 894 CA LEU A 61 -5.846 6.844 -6.405 1.00 0.00 C ATOM 895 C LEU A 61 -5.452 7.707 -5.210 1.00 0.00 C ATOM 896 O LEU A 61 -6.127 8.689 -4.903 1.00 0.00 O ATOM 897 CB LEU A 61 -7.146 7.373 -7.016 1.00 0.00 C ATOM 898 CG LEU A 61 -7.530 6.760 -8.364 1.00 0.00 C ATOM 899 CD1 LEU A 61 -8.914 6.133 -8.291 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.474 7.808 -9.469 1.00 0.00 C ATOM 0 H LEU A 61 -6.789 5.257 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.046 6.900 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.958 7.197 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.058 8.453 -7.138 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.810 5.977 -8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.170 5.702 -9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.919 5.350 -7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.646 6.897 -8.029 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.751 7.350 -10.419 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.169 8.616 -9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.463 8.208 -9.540 1.00 0.00 H new ATOM 912 N LEU A 62 -4.362 7.328 -4.534 1.00 0.00 N ATOM 913 CA LEU A 62 -3.864 8.054 -3.355 1.00 0.00 C ATOM 914 C LEU A 62 -4.216 9.545 -3.403 1.00 0.00 C ATOM 915 O LEU A 62 -3.458 10.360 -3.929 1.00 0.00 O ATOM 916 CB LEU A 62 -2.348 7.876 -3.238 1.00 0.00 C ATOM 917 CG LEU A 62 -1.890 6.492 -2.785 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.622 6.086 -3.517 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.672 6.458 -1.278 1.00 0.00 C ATOM 0 H LEU A 62 -3.801 6.514 -4.785 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.354 7.633 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.897 8.092 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.964 8.616 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.675 5.777 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.309 5.097 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.813 6.062 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.167 6.807 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.346 5.461 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.909 7.186 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.605 6.702 -0.770 1.00 0.00 H new ATOM 931 N ASP A 63 -5.385 9.882 -2.860 1.00 0.00 N ATOM 932 CA ASP A 63 -5.862 11.263 -2.844 1.00 0.00 C ATOM 933 C ASP A 63 -5.814 11.854 -1.438 1.00 0.00 C ATOM 934 O ASP A 63 -5.600 11.142 -0.465 1.00 0.00 O ATOM 935 CB ASP A 63 -7.290 11.330 -3.394 1.00 0.00 C ATOM 936 CG ASP A 63 -7.391 12.155 -4.662 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.474 12.960 -4.924 1.00 0.00 O ATOM 938 OD2 ASP A 63 -8.390 11.996 -5.396 1.00 0.00 O ATOM 0 H ASP A 63 -6.021 9.214 -2.424 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.201 11.854 -3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.646 10.319 -3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.947 11.755 -2.636 1.00 0.00 H new ATOM 943 N THR A 64 -6.020 13.161 -1.335 1.00 0.00 N ATOM 944 CA THR A 64 -6.003 13.817 -0.034 1.00 0.00 C ATOM 945 C THR A 64 -7.317 13.574 0.700 1.00 0.00 C ATOM 946 O THR A 64 -7.313 13.149 1.849 1.00 0.00 O ATOM 947 CB THR A 64 -5.737 15.317 -0.170 1.00 0.00 C ATOM 948 OG1 THR A 64 -4.643 15.556 -1.036 1.00 0.00 O ATOM 949 CG2 THR A 64 -5.430 15.988 1.151 1.00 0.00 C ATOM 0 H THR A 64 -6.199 13.781 -2.125 1.00 0.00 H new ATOM 0 HA THR A 64 -5.189 13.385 0.548 1.00 0.00 H new ATOM 0 HB THR A 64 -6.658 15.740 -0.572 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.490 16.521 -1.111 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.251 17.051 0.986 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.275 15.863 1.828 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.542 15.534 1.592 1.00 0.00 H new ATOM 957 N PRO A 65 -8.465 13.823 0.046 1.00 0.00 N ATOM 958 CA PRO A 65 -9.768 13.603 0.665 1.00 0.00 C ATOM 959 C PRO A 65 -10.138 12.122 0.708 1.00 0.00 C ATOM 960 O PRO A 65 -10.262 11.533 1.782 1.00 0.00 O ATOM 961 CB PRO A 65 -10.734 14.380 -0.229 1.00 0.00 C ATOM 962 CG PRO A 65 -10.068 14.469 -1.564 1.00 0.00 C ATOM 963 CD PRO A 65 -8.584 14.319 -1.338 1.00 0.00 C ATOM 0 HA PRO A 65 -9.788 13.932 1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.694 13.870 -0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.931 15.372 0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.436 13.688 -2.229 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.289 15.424 -2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.144 13.620 -2.049 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.066 15.270 -1.464 1.00 0.00 H new ATOM 971 N GLY A 66 -10.317 11.527 -0.469 1.00 0.00 N ATOM 972 CA GLY A 66 -10.675 10.124 -0.553 1.00 0.00 C ATOM 973 C GLY A 66 -9.833 9.249 0.347 1.00 0.00 C ATOM 974 O GLY A 66 -10.363 8.533 1.197 1.00 0.00 O ATOM 0 H GLY A 66 -10.219 11.996 -1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.726 10.005 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.567 9.787 -1.584 1.00 0.00 H new ATOM 978 N LEU A 67 -8.519 9.296 0.163 1.00 0.00 N ATOM 979 CA LEU A 67 -7.616 8.489 0.968 1.00 0.00 C ATOM 980 C LEU A 67 -7.776 8.790 2.454 1.00 0.00 C ATOM 981 O LEU A 67 -8.290 7.967 3.213 1.00 0.00 O ATOM 982 CB LEU A 67 -6.169 8.748 0.541 1.00 0.00 C ATOM 983 CG LEU A 67 -5.398 7.537 0.011 1.00 0.00 C ATOM 984 CD1 LEU A 67 -4.834 6.712 1.159 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.287 6.679 -0.880 1.00 0.00 C ATOM 0 H LEU A 67 -8.059 9.882 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.866 7.440 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.171 9.518 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.626 9.154 1.395 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.564 7.902 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.290 5.856 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.157 7.328 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.650 6.360 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.719 5.824 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.145 6.326 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.635 7.272 -1.726 1.00 0.00 H new ATOM 997 N LEU A 68 -7.329 9.970 2.868 1.00 0.00 N ATOM 998 CA LEU A 68 -7.409 10.371 4.273 1.00 0.00 C ATOM 999 C LEU A 68 -8.788 10.098 4.868 1.00 0.00 C ATOM 1000 O LEU A 68 -8.905 9.828 6.063 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.073 11.854 4.434 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.620 12.154 4.810 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.709 12.004 3.600 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.505 13.551 5.400 1.00 0.00 C ATOM 0 H LEU A 68 -6.908 10.667 2.254 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.678 9.770 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.303 12.366 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.725 12.277 5.199 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.302 11.433 5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.681 12.222 3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.771 10.984 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.022 12.699 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.466 13.751 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.841 14.284 4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.125 13.621 6.294 1.00 0.00 H new ATOM 1016 N ASP A 69 -9.831 10.179 4.049 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.184 9.946 4.541 1.00 0.00 C ATOM 1018 C ASP A 69 -11.494 8.458 4.614 1.00 0.00 C ATOM 1019 O ASP A 69 -11.762 7.927 5.687 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.209 10.652 3.652 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.534 10.858 4.356 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -13.522 11.260 5.539 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.586 10.615 3.730 1.00 0.00 O ATOM 0 H ASP A 69 -9.768 10.401 3.055 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.246 10.358 5.548 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.812 11.618 3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.368 10.065 2.747 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.445 7.777 3.479 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.720 6.348 3.453 1.00 0.00 C ATOM 1030 C ALA A 70 -10.717 5.581 4.315 1.00 0.00 C ATOM 1031 O ALA A 70 -10.957 4.430 4.679 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.722 5.827 2.022 1.00 0.00 C ATOM 0 H ALA A 70 -11.220 8.186 2.572 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.712 6.186 3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.929 4.757 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.491 6.344 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.747 6.006 1.568 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.591 6.221 4.641 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.564 5.583 5.462 1.00 0.00 C ATOM 1040 C LYS A 71 -8.879 5.705 6.951 1.00 0.00 C ATOM 1041 O LYS A 71 -8.957 4.701 7.658 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.194 6.204 5.191 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.557 5.826 3.850 1.00 0.00 C ATOM 1044 CD LYS A 71 -6.847 4.387 3.416 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.295 4.307 1.963 1.00 0.00 C ATOM 1046 NZ LYS A 71 -8.291 5.362 1.621 1.00 0.00 N ATOM 0 H LYS A 71 -9.370 7.173 4.351 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.549 4.527 5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.290 7.289 5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.516 5.911 5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.919 6.508 3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.478 5.965 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.952 3.780 3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.620 3.964 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.427 4.405 1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.728 3.325 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.766 5.115 0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.997 5.432 2.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.806 6.276 1.513 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.065 6.938 7.428 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.374 7.168 8.838 1.00 0.00 C ATOM 1062 C VAL A 72 -10.612 6.390 9.245 1.00 0.00 C ATOM 1063 O VAL A 72 -10.633 5.726 10.281 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.609 8.661 9.148 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.304 9.441 9.100 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.632 9.254 8.191 1.00 0.00 C ATOM 0 H VAL A 72 -9.007 7.785 6.863 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.508 6.827 9.405 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.006 8.737 10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.499 10.490 9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.611 9.036 9.838 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.866 9.356 8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.783 10.307 8.427 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.270 9.160 7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.577 8.720 8.292 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.646 6.479 8.419 1.00 0.00 N ATOM 1077 CA GLN A 73 -12.895 5.789 8.679 1.00 0.00 C ATOM 1078 C GLN A 73 -12.683 4.283 8.760 1.00 0.00 C ATOM 1079 O GLN A 73 -13.039 3.652 9.751 1.00 0.00 O ATOM 1080 CB GLN A 73 -13.902 6.118 7.581 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.021 7.605 7.289 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.558 8.391 8.466 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -14.761 7.849 9.550 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -14.792 9.681 8.253 1.00 0.00 N ATOM 0 H GLN A 73 -11.640 7.027 7.559 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.282 6.127 9.640 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.613 5.599 6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.880 5.734 7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.042 7.996 7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.677 7.751 6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.608 10.088 7.336 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.155 10.265 9.007 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.096 3.710 7.711 1.00 0.00 N ATOM 1094 CA GLU A 74 -11.842 2.272 7.670 1.00 0.00 C ATOM 1095 C GLU A 74 -11.054 1.812 8.889 1.00 0.00 C ATOM 1096 O GLU A 74 -11.382 0.798 9.503 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.077 1.902 6.400 1.00 0.00 C ATOM 1098 CG GLU A 74 -10.732 0.421 6.311 1.00 0.00 C ATOM 1099 CD GLU A 74 -9.248 0.152 6.460 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -8.693 0.456 7.538 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -8.637 -0.357 5.497 1.00 0.00 O ATOM 0 H GLU A 74 -11.789 4.217 6.881 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.809 1.768 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.673 2.181 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.157 2.485 6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.274 -0.121 7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.073 0.031 5.352 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.009 2.559 9.225 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.161 2.226 10.361 1.00 0.00 C ATOM 1110 C ALA A 75 -9.893 2.439 11.683 1.00 0.00 C ATOM 1111 O ALA A 75 -9.864 1.578 12.561 1.00 0.00 O ATOM 1112 CB ALA A 75 -7.886 3.049 10.320 1.00 0.00 C ATOM 0 H ALA A 75 -9.729 3.402 8.724 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.903 1.169 10.292 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.259 2.792 11.174 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.346 2.838 9.397 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.136 4.109 10.359 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.545 3.586 11.819 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.282 3.904 13.035 1.00 0.00 C ATOM 1120 C LEU A 76 -12.449 2.940 13.230 1.00 0.00 C ATOM 1121 O LEU A 76 -12.750 2.533 14.352 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.799 5.344 12.986 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.840 6.402 13.528 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.473 7.786 13.449 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.430 6.080 14.961 1.00 0.00 C ATOM 0 H LEU A 76 -10.579 4.311 11.103 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.600 3.800 13.879 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.039 5.591 11.952 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.730 5.398 13.551 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.942 6.397 12.910 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.776 8.528 13.839 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.708 8.020 12.411 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.388 7.802 14.041 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.747 6.847 15.325 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.316 6.052 15.595 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.934 5.110 14.988 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.104 2.581 12.128 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.238 1.666 12.178 1.00 0.00 C ATOM 1139 C GLU A 77 -13.785 0.251 12.526 1.00 0.00 C ATOM 1140 O GLU A 77 -14.408 -0.423 13.347 1.00 0.00 O ATOM 1141 CB GLU A 77 -14.984 1.662 10.841 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.496 1.631 10.987 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.074 0.246 10.768 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.517 -0.505 9.940 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -18.082 -0.086 11.426 1.00 0.00 O ATOM 0 H GLU A 77 -12.868 2.910 11.192 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.914 2.014 12.960 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.700 2.549 10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.666 0.797 10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.769 1.981 11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.941 2.324 10.272 1.00 0.00 H new ATOM 1152 N VAL A 78 -12.697 -0.195 11.904 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.171 -1.530 12.167 1.00 0.00 C ATOM 1154 C VAL A 78 -11.617 -1.637 13.588 1.00 0.00 C ATOM 1155 O VAL A 78 -11.337 -2.734 14.072 1.00 0.00 O ATOM 1156 CB VAL A 78 -11.066 -1.928 11.168 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -9.847 -1.034 11.329 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -10.691 -3.392 11.344 1.00 0.00 C ATOM 0 H VAL A 78 -12.166 0.344 11.220 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.010 -2.216 12.049 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.451 -1.793 10.157 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.080 -1.333 10.614 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.129 0.003 11.146 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.456 -1.130 12.342 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.910 -3.656 10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.327 -3.555 12.358 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.568 -4.016 11.169 1.00 0.00 H new