USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=7 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= -4.2! C(o=-4.6!,f=-12!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 149:sc= -0.412 (180deg=-0.205) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -1.02 F(o=-2.5!,f=-1) USER MOD Single : A 34 HIS : no HD1:sc= -18.8! C(o=-19!,f=-19!) USER MOD Single : A 39 ASN : amide:sc= -0.611 K(o=-0.61,f=-2.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 86:sc= 0.442 USER MOD Single : A 49 MET CE :methyl 140:sc= -2.26 (180deg=-4.56!) USER MOD Single : A 53 MET CE :methyl -166:sc= -0.0262 (180deg=-0.286) USER MOD Single : A 60 ASN : amide:sc= -0.0248 X(o=-0.025,f=-0.025) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : A 73 GLN : amide:sc= -1.05 K(o=-1.1,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 7.115 2.092 -0.860 1.00 0.00 N ATOM 363 CA VAL A 26 7.135 3.521 -0.563 1.00 0.00 C ATOM 364 C VAL A 26 5.769 4.003 -0.089 1.00 0.00 C ATOM 365 O VAL A 26 5.664 4.748 0.886 1.00 0.00 O ATOM 366 CB VAL A 26 7.582 4.352 -1.790 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.433 4.581 -2.766 1.00 0.00 C ATOM 368 CG2 VAL A 26 8.178 5.679 -1.346 1.00 0.00 C ATOM 0 HA VAL A 26 7.860 3.668 0.237 1.00 0.00 H new ATOM 0 HB VAL A 26 8.348 3.780 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.787 5.168 -3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.060 3.620 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.630 5.119 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.487 6.250 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.432 6.245 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.043 5.494 -0.709 1.00 0.00 H new ATOM 378 N LEU A 27 4.722 3.574 -0.788 1.00 0.00 N ATOM 379 CA LEU A 27 3.363 3.963 -0.443 1.00 0.00 C ATOM 380 C LEU A 27 3.092 3.740 1.040 1.00 0.00 C ATOM 381 O LEU A 27 2.575 4.624 1.717 1.00 0.00 O ATOM 382 CB LEU A 27 2.349 3.179 -1.281 1.00 0.00 C ATOM 383 CG LEU A 27 2.326 3.527 -2.772 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.175 2.817 -3.464 1.00 0.00 C ATOM 385 CD2 LEU A 27 2.221 5.034 -2.974 1.00 0.00 C ATOM 0 H LEU A 27 4.791 2.957 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 27 3.255 5.026 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.561 2.115 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.354 3.348 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 27 3.262 3.188 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.172 3.075 -4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.293 1.739 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.232 3.127 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.206 5.258 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.303 5.400 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.078 5.524 -2.512 1.00 0.00 H new ATOM 397 N GLY A 28 3.437 2.556 1.538 1.00 0.00 N ATOM 398 CA GLY A 28 3.209 2.242 2.939 1.00 0.00 C ATOM 399 C GLY A 28 3.940 3.181 3.876 1.00 0.00 C ATOM 400 O GLY A 28 3.378 3.628 4.874 1.00 0.00 O ATOM 0 H GLY A 28 3.870 1.808 0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.140 2.287 3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.529 1.219 3.134 1.00 0.00 H new ATOM 404 N GLU A 29 5.188 3.496 3.555 1.00 0.00 N ATOM 405 CA GLU A 29 5.969 4.405 4.383 1.00 0.00 C ATOM 406 C GLU A 29 5.342 5.797 4.353 1.00 0.00 C ATOM 407 O GLU A 29 5.066 6.394 5.396 1.00 0.00 O ATOM 408 CB GLU A 29 7.419 4.459 3.896 1.00 0.00 C ATOM 409 CG GLU A 29 8.116 3.104 3.905 1.00 0.00 C ATOM 410 CD GLU A 29 8.994 2.904 5.125 1.00 0.00 C ATOM 411 OE1 GLU A 29 9.048 3.816 5.978 1.00 0.00 O ATOM 412 OE2 GLU A 29 9.632 1.835 5.229 1.00 0.00 O ATOM 0 H GLU A 29 5.678 3.139 2.735 1.00 0.00 H new ATOM 0 HA GLU A 29 5.968 4.039 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.439 4.862 2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.979 5.151 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.366 2.314 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.724 3.007 3.005 1.00 0.00 H new ATOM 419 N ARG A 30 5.113 6.303 3.143 1.00 0.00 N ATOM 420 CA ARG A 30 4.511 7.618 2.964 1.00 0.00 C ATOM 421 C ARG A 30 3.044 7.619 3.389 1.00 0.00 C ATOM 422 O ARG A 30 2.455 8.679 3.606 1.00 0.00 O ATOM 423 CB ARG A 30 4.626 8.072 1.502 1.00 0.00 C ATOM 424 CG ARG A 30 5.971 7.768 0.860 1.00 0.00 C ATOM 425 CD ARG A 30 6.928 8.942 0.980 1.00 0.00 C ATOM 426 NE ARG A 30 8.302 8.498 1.214 1.00 0.00 N ATOM 427 CZ ARG A 30 9.371 9.016 0.609 1.00 0.00 C ATOM 428 NH1 ARG A 30 9.244 10.020 -0.251 1.00 0.00 N ATOM 429 NH2 ARG A 30 10.576 8.531 0.873 1.00 0.00 N ATOM 0 H ARG A 30 5.336 5.820 2.273 1.00 0.00 H new ATOM 0 HA ARG A 30 5.056 8.316 3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.841 7.589 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.446 9.146 1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.410 6.890 1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.825 7.523 -0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.888 9.538 0.068 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.610 9.589 1.798 1.00 0.00 H new ATOM 0 HE ARG A 30 8.452 7.743 1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.321 10.403 -0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.069 10.408 -0.708 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.683 7.764 1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.396 8.925 0.412 1.00 0.00 H new ATOM 443 N LEU A 31 2.452 6.430 3.510 1.00 0.00 N ATOM 444 CA LEU A 31 1.057 6.308 3.913 1.00 0.00 C ATOM 445 C LEU A 31 0.885 6.715 5.372 1.00 0.00 C ATOM 446 O LEU A 31 0.157 7.652 5.696 1.00 0.00 O ATOM 447 CB LEU A 31 0.590 4.861 3.730 1.00 0.00 C ATOM 448 CG LEU A 31 -0.678 4.680 2.899 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.351 4.065 1.546 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.685 3.821 3.650 1.00 0.00 C ATOM 0 H LEU A 31 2.919 5.541 3.334 1.00 0.00 H new ATOM 0 HA LEU A 31 0.456 6.969 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.395 4.294 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.424 4.424 4.715 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.121 5.661 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.268 3.945 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.334 4.718 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.116 3.091 1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.584 3.701 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.250 2.842 3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.944 4.304 4.592 1.00 0.00 H new ATOM 462 N TYR A 32 1.564 5.984 6.243 1.00 0.00 N ATOM 463 CA TYR A 32 1.511 6.223 7.681 1.00 0.00 C ATOM 464 C TYR A 32 1.717 7.697 8.013 1.00 0.00 C ATOM 465 O TYR A 32 1.176 8.197 8.994 1.00 0.00 O ATOM 466 CB TYR A 32 2.581 5.361 8.364 1.00 0.00 C ATOM 467 CG TYR A 32 2.468 5.271 9.871 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.998 6.258 10.693 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.846 4.183 10.472 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.912 6.163 12.069 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.751 4.084 11.846 1.00 0.00 C ATOM 472 CZ TYR A 32 2.286 5.075 12.641 1.00 0.00 C ATOM 473 OH TYR A 32 2.199 4.977 14.011 1.00 0.00 O ATOM 0 H TYR A 32 2.168 5.207 5.975 1.00 0.00 H new ATOM 0 HA TYR A 32 0.522 5.949 8.049 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.532 4.354 7.951 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.563 5.761 8.112 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.485 7.114 10.249 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.430 3.401 9.854 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.333 6.937 12.694 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.260 3.234 12.296 1.00 0.00 H new ATOM 0 HH TYR A 32 1.728 4.152 14.251 1.00 0.00 H new ATOM 483 N ASN A 33 2.501 8.387 7.195 1.00 0.00 N ATOM 484 CA ASN A 33 2.776 9.805 7.411 1.00 0.00 C ATOM 485 C ASN A 33 1.547 10.656 7.125 1.00 0.00 C ATOM 486 O ASN A 33 1.293 11.647 7.809 1.00 0.00 O ATOM 487 CB ASN A 33 3.948 10.250 6.527 1.00 0.00 C ATOM 488 CG ASN A 33 4.084 11.762 6.423 1.00 0.00 C ATOM 489 OD1 ASN A 33 3.134 12.404 5.745 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 5.038 12.344 6.942 1.00 0.00 N flip ATOM 0 H ASN A 33 2.959 7.989 6.375 1.00 0.00 H new ATOM 0 HA ASN A 33 3.042 9.945 8.459 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.873 9.836 6.927 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.818 9.834 5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.743 11.813 7.453 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.123 13.357 6.861 1.00 0.00 H new ATOM 497 N HIS A 34 0.791 10.284 6.108 1.00 0.00 N ATOM 498 CA HIS A 34 -0.388 11.049 5.754 1.00 0.00 C ATOM 499 C HIS A 34 -1.383 11.048 6.911 1.00 0.00 C ATOM 500 O HIS A 34 -2.005 12.064 7.217 1.00 0.00 O ATOM 501 CB HIS A 34 -1.036 10.483 4.477 1.00 0.00 C ATOM 502 CG HIS A 34 -1.807 9.209 4.666 1.00 0.00 C ATOM 503 ND1 HIS A 34 -1.605 8.066 3.919 1.00 0.00 N ATOM 504 CD2 HIS A 34 -2.792 8.913 5.531 1.00 0.00 C ATOM 505 CE1 HIS A 34 -2.441 7.123 4.332 1.00 0.00 C ATOM 506 NE2 HIS A 34 -3.170 7.618 5.308 1.00 0.00 N ATOM 0 H HIS A 34 0.969 9.469 5.521 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.090 12.078 5.555 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.706 11.237 4.063 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.254 10.310 3.737 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.211 9.579 6.271 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.511 6.121 3.935 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.899 7.117 5.816 1.00 0.00 H new ATOM 515 N ILE A 35 -1.538 9.888 7.523 1.00 0.00 N ATOM 516 CA ILE A 35 -2.476 9.713 8.634 1.00 0.00 C ATOM 517 C ILE A 35 -1.817 9.811 10.018 1.00 0.00 C ATOM 518 O ILE A 35 -2.520 9.921 11.021 1.00 0.00 O ATOM 519 CB ILE A 35 -3.223 8.365 8.522 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.085 8.102 9.757 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.244 7.227 8.304 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.344 7.336 9.438 1.00 0.00 C ATOM 0 H ILE A 35 -1.025 9.043 7.272 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.180 10.541 8.550 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.885 8.423 7.658 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.502 7.544 10.490 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.351 9.053 10.218 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.790 6.287 8.228 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.686 7.398 7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.551 7.177 9.144 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.916 7.179 10.353 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.945 7.903 8.727 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.083 6.371 9.003 1.00 0.00 H new ATOM 534 N VAL A 36 -0.487 9.757 10.098 1.00 0.00 N ATOM 535 CA VAL A 36 0.164 9.829 11.407 1.00 0.00 C ATOM 536 C VAL A 36 -0.180 11.139 12.105 1.00 0.00 C ATOM 537 O VAL A 36 -0.582 11.149 13.267 1.00 0.00 O ATOM 538 CB VAL A 36 1.703 9.689 11.342 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.325 10.818 10.540 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.290 9.647 12.750 1.00 0.00 C ATOM 0 H VAL A 36 0.143 9.667 9.301 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.219 8.979 11.972 1.00 0.00 H new ATOM 0 HB VAL A 36 1.936 8.752 10.835 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.407 10.692 10.513 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.932 10.802 9.523 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.083 11.773 11.007 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.374 9.548 12.690 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.038 10.567 13.277 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.878 8.795 13.291 1.00 0.00 H new ATOM 550 N ALA A 37 -0.019 12.241 11.383 1.00 0.00 N ATOM 551 CA ALA A 37 -0.309 13.556 11.927 1.00 0.00 C ATOM 552 C ALA A 37 -1.809 13.807 11.981 1.00 0.00 C ATOM 553 O ALA A 37 -2.280 14.623 12.773 1.00 0.00 O ATOM 554 CB ALA A 37 0.380 14.631 11.096 1.00 0.00 C ATOM 0 H ALA A 37 0.312 12.247 10.418 1.00 0.00 H new ATOM 0 HA ALA A 37 0.075 13.596 12.946 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.156 15.613 11.513 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.458 14.468 11.111 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.020 14.583 10.068 1.00 0.00 H new ATOM 560 N ILE A 38 -2.557 13.108 11.134 1.00 0.00 N ATOM 561 CA ILE A 38 -4.009 13.276 11.097 1.00 0.00 C ATOM 562 C ILE A 38 -4.702 12.351 12.096 1.00 0.00 C ATOM 563 O ILE A 38 -5.298 12.812 13.068 1.00 0.00 O ATOM 564 CB ILE A 38 -4.571 13.040 9.673 1.00 0.00 C ATOM 565 CG1 ILE A 38 -4.170 14.195 8.748 1.00 0.00 C ATOM 566 CG2 ILE A 38 -6.088 12.896 9.702 1.00 0.00 C ATOM 567 CD1 ILE A 38 -2.686 14.496 8.745 1.00 0.00 C ATOM 0 H ILE A 38 -2.189 12.427 10.470 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.218 14.308 11.381 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.147 12.112 9.290 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.484 13.958 7.731 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.711 15.092 9.048 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.457 12.731 8.690 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.361 12.048 10.330 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.532 13.805 10.107 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.484 15.325 8.066 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.367 14.766 9.752 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.137 13.614 8.415 1.00 0.00 H new ATOM 579 N ASN A 39 -4.615 11.048 11.860 1.00 0.00 N ATOM 580 CA ASN A 39 -5.230 10.070 12.752 1.00 0.00 C ATOM 581 C ASN A 39 -4.196 9.075 13.269 1.00 0.00 C ATOM 582 O ASN A 39 -4.098 7.953 12.773 1.00 0.00 O ATOM 583 CB ASN A 39 -6.360 9.328 12.038 1.00 0.00 C ATOM 584 CG ASN A 39 -7.540 9.055 12.951 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.644 9.549 12.723 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.312 8.261 13.992 1.00 0.00 N ATOM 0 H ASN A 39 -4.126 10.644 11.061 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.645 10.609 13.604 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.694 9.916 11.183 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.981 8.384 11.647 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.068 8.040 14.640 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.381 7.873 14.143 1.00 0.00 H new ATOM 593 N PRO A 40 -3.406 9.476 14.278 1.00 0.00 N ATOM 594 CA PRO A 40 -2.379 8.611 14.861 1.00 0.00 C ATOM 595 C PRO A 40 -2.935 7.249 15.258 1.00 0.00 C ATOM 596 O PRO A 40 -2.256 6.230 15.143 1.00 0.00 O ATOM 597 CB PRO A 40 -1.919 9.381 16.098 1.00 0.00 C ATOM 598 CG PRO A 40 -2.229 10.806 15.800 1.00 0.00 C ATOM 599 CD PRO A 40 -3.456 10.797 14.930 1.00 0.00 C ATOM 0 HA PRO A 40 -1.575 8.400 14.156 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.442 9.042 16.992 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.854 9.238 16.279 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.407 11.366 16.718 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.394 11.287 15.290 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.366 10.920 15.518 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.436 11.606 14.200 1.00 0.00 H new ATOM 607 N ALA A 41 -4.181 7.238 15.724 1.00 0.00 N ATOM 608 CA ALA A 41 -4.833 6.001 16.138 1.00 0.00 C ATOM 609 C ALA A 41 -5.548 5.336 14.964 1.00 0.00 C ATOM 610 O ALA A 41 -6.704 4.927 15.075 1.00 0.00 O ATOM 611 CB ALA A 41 -5.803 6.271 17.280 1.00 0.00 C ATOM 0 H ALA A 41 -4.759 8.073 15.824 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.065 5.313 16.491 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.282 5.339 17.578 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.260 6.687 18.128 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.563 6.981 16.952 1.00 0.00 H new ATOM 617 N ALA A 42 -4.843 5.225 13.841 1.00 0.00 N ATOM 618 CA ALA A 42 -5.387 4.599 12.642 1.00 0.00 C ATOM 619 C ALA A 42 -4.261 4.163 11.718 1.00 0.00 C ATOM 620 O ALA A 42 -4.304 3.077 11.145 1.00 0.00 O ATOM 621 CB ALA A 42 -6.328 5.541 11.916 1.00 0.00 C ATOM 0 H ALA A 42 -3.886 5.564 13.738 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.955 3.720 12.946 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.720 5.049 11.026 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.154 5.810 12.575 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.788 6.442 11.625 1.00 0.00 H new ATOM 627 N ALA A 43 -3.251 5.029 11.580 1.00 0.00 N ATOM 628 CA ALA A 43 -2.096 4.750 10.728 1.00 0.00 C ATOM 629 C ALA A 43 -1.716 3.277 10.787 1.00 0.00 C ATOM 630 O ALA A 43 -1.621 2.605 9.761 1.00 0.00 O ATOM 631 CB ALA A 43 -0.917 5.619 11.138 1.00 0.00 C ATOM 0 H ALA A 43 -3.213 5.933 12.051 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.367 4.987 9.699 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.064 5.401 10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.188 6.670 11.038 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.654 5.409 12.175 1.00 0.00 H new ATOM 637 N ALA A 44 -1.503 2.781 12.002 1.00 0.00 N ATOM 638 CA ALA A 44 -1.137 1.388 12.207 1.00 0.00 C ATOM 639 C ALA A 44 -2.066 0.450 11.440 1.00 0.00 C ATOM 640 O ALA A 44 -1.623 -0.545 10.866 1.00 0.00 O ATOM 641 CB ALA A 44 -1.150 1.056 13.691 1.00 0.00 C ATOM 0 H ALA A 44 -1.578 3.327 12.860 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.128 1.243 11.821 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.875 0.011 13.832 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.436 1.693 14.213 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.149 1.226 14.093 1.00 0.00 H new ATOM 647 N LYS A 45 -3.352 0.776 11.431 1.00 0.00 N ATOM 648 CA LYS A 45 -4.340 -0.034 10.728 1.00 0.00 C ATOM 649 C LYS A 45 -4.365 0.309 9.245 1.00 0.00 C ATOM 650 O LYS A 45 -4.391 -0.575 8.390 1.00 0.00 O ATOM 651 CB LYS A 45 -5.734 0.181 11.323 1.00 0.00 C ATOM 652 CG LYS A 45 -5.761 0.195 12.841 1.00 0.00 C ATOM 653 CD LYS A 45 -6.563 -0.971 13.396 1.00 0.00 C ATOM 654 CE LYS A 45 -6.545 -0.988 14.916 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.853 -2.194 15.450 1.00 0.00 N ATOM 0 H LYS A 45 -3.736 1.595 11.902 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.057 -1.080 10.845 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.134 1.125 10.954 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.396 -0.607 10.965 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.742 0.152 13.224 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.193 1.133 13.189 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.593 -0.906 13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.155 -1.908 13.016 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.046 -0.091 15.283 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.568 -0.960 15.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.862 -2.168 16.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.344 -3.050 15.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.869 -2.208 15.113 1.00 0.00 H new ATOM 669 N VAL A 46 -4.362 1.601 8.952 1.00 0.00 N ATOM 670 CA VAL A 46 -4.393 2.086 7.580 1.00 0.00 C ATOM 671 C VAL A 46 -3.167 1.623 6.798 1.00 0.00 C ATOM 672 O VAL A 46 -3.291 1.012 5.745 1.00 0.00 O ATOM 673 CB VAL A 46 -4.477 3.625 7.557 1.00 0.00 C ATOM 674 CG1 VAL A 46 -4.217 4.177 6.164 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.833 4.081 8.082 1.00 0.00 C ATOM 0 H VAL A 46 -4.338 2.340 9.655 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.280 1.669 7.102 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.698 4.019 8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.284 5.265 6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.221 3.881 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.960 3.781 5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.883 5.170 8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.623 3.670 7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.963 3.730 9.106 1.00 0.00 H new ATOM 685 N THR A 47 -1.990 1.928 7.319 1.00 0.00 N ATOM 686 CA THR A 47 -0.740 1.550 6.671 1.00 0.00 C ATOM 687 C THR A 47 -0.677 0.048 6.408 1.00 0.00 C ATOM 688 O THR A 47 -0.410 -0.389 5.287 1.00 0.00 O ATOM 689 CB THR A 47 0.440 1.967 7.548 1.00 0.00 C ATOM 690 OG1 THR A 47 0.270 3.290 8.022 1.00 0.00 O ATOM 691 CG2 THR A 47 1.774 1.898 6.839 1.00 0.00 C ATOM 0 H THR A 47 -1.871 2.439 8.194 1.00 0.00 H new ATOM 0 HA THR A 47 -0.690 2.063 5.711 1.00 0.00 H new ATOM 0 HB THR A 47 0.452 1.251 8.370 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.260 3.277 8.846 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.565 2.208 7.522 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.959 0.875 6.510 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.761 2.561 5.974 1.00 0.00 H new ATOM 699 N GLY A 48 -0.900 -0.735 7.456 1.00 0.00 N ATOM 700 CA GLY A 48 -0.840 -2.179 7.339 1.00 0.00 C ATOM 701 C GLY A 48 -1.997 -2.754 6.556 1.00 0.00 C ATOM 702 O GLY A 48 -1.796 -3.477 5.579 1.00 0.00 O ATOM 0 H GLY A 48 -1.123 -0.393 8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.095 -2.461 6.855 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.828 -2.619 8.336 1.00 0.00 H new ATOM 706 N MET A 49 -3.210 -2.439 6.987 1.00 0.00 N ATOM 707 CA MET A 49 -4.399 -2.939 6.317 1.00 0.00 C ATOM 708 C MET A 49 -4.556 -2.312 4.938 1.00 0.00 C ATOM 709 O MET A 49 -4.775 -3.024 3.963 1.00 0.00 O ATOM 710 CB MET A 49 -5.646 -2.667 7.163 1.00 0.00 C ATOM 711 CG MET A 49 -5.502 -3.110 8.610 1.00 0.00 C ATOM 712 SD MET A 49 -5.514 -4.905 8.789 1.00 0.00 S ATOM 713 CE MET A 49 -3.826 -5.308 8.340 1.00 0.00 C ATOM 0 H MET A 49 -3.395 -1.843 7.793 1.00 0.00 H new ATOM 0 HA MET A 49 -4.284 -4.016 6.192 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.868 -1.600 7.138 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.498 -3.180 6.717 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.571 -2.714 9.017 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.314 -2.684 9.199 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.451 -6.091 8.999 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.798 -5.657 7.308 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.201 -4.420 8.440 1.00 0.00 H new ATOM 723 N LEU A 50 -4.467 -0.976 4.883 1.00 0.00 N ATOM 724 CA LEU A 50 -4.625 -0.199 3.636 1.00 0.00 C ATOM 725 C LEU A 50 -5.380 -0.965 2.550 1.00 0.00 C ATOM 726 O LEU A 50 -6.488 -0.586 2.170 1.00 0.00 O ATOM 727 CB LEU A 50 -3.266 0.237 3.090 1.00 0.00 C ATOM 728 CG LEU A 50 -3.328 1.099 1.822 1.00 0.00 C ATOM 729 CD1 LEU A 50 -3.957 2.456 2.118 1.00 0.00 C ATOM 730 CD2 LEU A 50 -1.937 1.268 1.229 1.00 0.00 C ATOM 0 H LEU A 50 -4.283 -0.397 5.703 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.218 0.677 3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.740 0.794 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.673 -0.653 2.879 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.956 0.590 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.990 3.049 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.970 2.313 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.361 2.977 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.997 1.882 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.288 1.754 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.529 0.290 0.974 1.00 0.00 H new ATOM 742 N LEU A 51 -4.780 -2.042 2.055 1.00 0.00 N ATOM 743 CA LEU A 51 -5.399 -2.854 1.020 1.00 0.00 C ATOM 744 C LEU A 51 -6.594 -3.626 1.567 1.00 0.00 C ATOM 745 O LEU A 51 -6.561 -4.853 1.666 1.00 0.00 O ATOM 746 CB LEU A 51 -4.371 -3.825 0.430 1.00 0.00 C ATOM 747 CG LEU A 51 -3.442 -3.226 -0.626 1.00 0.00 C ATOM 748 CD1 LEU A 51 -2.181 -2.669 0.022 1.00 0.00 C ATOM 749 CD2 LEU A 51 -3.087 -4.264 -1.680 1.00 0.00 C ATOM 0 H LEU A 51 -3.863 -2.372 2.356 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.757 -2.188 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.763 -4.223 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.903 -4.667 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.967 -2.406 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.533 -2.247 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.452 -1.891 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.655 -3.470 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.425 -3.817 -2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.584 -5.107 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.997 -4.613 -2.168 1.00 0.00 H new ATOM 761 N GLU A 52 -7.655 -2.903 1.913 1.00 0.00 N ATOM 762 CA GLU A 52 -8.863 -3.524 2.435 1.00 0.00 C ATOM 763 C GLU A 52 -9.862 -3.759 1.307 1.00 0.00 C ATOM 764 O GLU A 52 -9.599 -3.428 0.153 1.00 0.00 O ATOM 765 CB GLU A 52 -9.494 -2.646 3.519 1.00 0.00 C ATOM 766 CG GLU A 52 -8.669 -2.562 4.795 1.00 0.00 C ATOM 767 CD GLU A 52 -8.651 -3.868 5.567 1.00 0.00 C ATOM 768 OE1 GLU A 52 -8.130 -4.868 5.030 1.00 0.00 O ATOM 769 OE2 GLU A 52 -9.156 -3.888 6.709 1.00 0.00 O ATOM 0 H GLU A 52 -7.701 -1.887 1.840 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.594 -4.483 2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.637 -1.641 3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.482 -3.037 3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.647 -2.279 4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.071 -1.774 5.432 1.00 0.00 H new ATOM 776 N MET A 53 -11.004 -4.339 1.640 1.00 0.00 N ATOM 777 CA MET A 53 -12.025 -4.618 0.639 1.00 0.00 C ATOM 778 C MET A 53 -12.554 -3.325 0.023 1.00 0.00 C ATOM 779 O MET A 53 -12.429 -3.103 -1.184 1.00 0.00 O ATOM 780 CB MET A 53 -13.170 -5.415 1.260 1.00 0.00 C ATOM 781 CG MET A 53 -12.810 -6.860 1.562 1.00 0.00 C ATOM 782 SD MET A 53 -12.247 -7.759 0.104 1.00 0.00 S ATOM 783 CE MET A 53 -13.741 -7.772 -0.885 1.00 0.00 C ATOM 0 H MET A 53 -11.248 -4.625 2.588 1.00 0.00 H new ATOM 0 HA MET A 53 -11.571 -5.212 -0.154 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.483 -4.927 2.183 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.024 -5.396 0.583 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.029 -6.884 2.322 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.679 -7.366 1.982 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.635 -8.494 -1.695 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.589 -8.050 -0.259 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.909 -6.780 -1.303 1.00 0.00 H new ATOM 793 N ASP A 54 -13.137 -2.468 0.855 1.00 0.00 N ATOM 794 CA ASP A 54 -13.678 -1.201 0.379 1.00 0.00 C ATOM 795 C ASP A 54 -12.609 -0.111 0.351 1.00 0.00 C ATOM 796 O ASP A 54 -12.145 0.276 -0.722 1.00 0.00 O ATOM 797 CB ASP A 54 -14.876 -0.765 1.224 1.00 0.00 C ATOM 798 CG ASP A 54 -14.619 -0.831 2.721 1.00 0.00 C ATOM 799 OD1 ASP A 54 -13.641 -1.490 3.129 1.00 0.00 O ATOM 800 OD2 ASP A 54 -15.398 -0.221 3.482 1.00 0.00 O ATOM 0 H ASP A 54 -13.246 -2.627 1.857 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.020 -1.355 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.148 0.256 0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.730 -1.397 0.982 1.00 0.00 H new ATOM 805 N ASN A 55 -12.221 0.390 1.522 1.00 0.00 N ATOM 806 CA ASN A 55 -11.212 1.439 1.605 1.00 0.00 C ATOM 807 C ASN A 55 -9.991 1.095 0.765 1.00 0.00 C ATOM 808 O ASN A 55 -9.297 1.984 0.271 1.00 0.00 O ATOM 809 CB ASN A 55 -10.781 1.657 3.053 1.00 0.00 C ATOM 810 CG ASN A 55 -9.726 2.738 3.184 1.00 0.00 C ATOM 811 OD1 ASN A 55 -9.611 3.616 2.330 1.00 0.00 O ATOM 812 ND2 ASN A 55 -8.943 2.676 4.254 1.00 0.00 N ATOM 0 H ASN A 55 -12.590 0.086 2.423 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.660 2.354 1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.651 1.927 3.652 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.393 0.723 3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.212 3.374 4.392 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.073 1.931 4.938 1.00 0.00 H new ATOM 819 N GLY A 56 -9.730 -0.197 0.606 1.00 0.00 N ATOM 820 CA GLY A 56 -8.589 -0.616 -0.174 1.00 0.00 C ATOM 821 C GLY A 56 -8.690 -0.169 -1.613 1.00 0.00 C ATOM 822 O GLY A 56 -7.871 0.618 -2.077 1.00 0.00 O ATOM 0 H GLY A 56 -10.286 -0.955 1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.679 -0.210 0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.504 -1.702 -0.137 1.00 0.00 H new ATOM 826 N GLU A 57 -9.693 -0.679 -2.324 1.00 0.00 N ATOM 827 CA GLU A 57 -9.891 -0.331 -3.732 1.00 0.00 C ATOM 828 C GLU A 57 -9.513 1.120 -4.022 1.00 0.00 C ATOM 829 O GLU A 57 -8.794 1.404 -4.978 1.00 0.00 O ATOM 830 CB GLU A 57 -11.340 -0.560 -4.137 1.00 0.00 C ATOM 831 CG GLU A 57 -11.833 -1.975 -3.877 1.00 0.00 C ATOM 832 CD GLU A 57 -11.825 -2.833 -5.126 1.00 0.00 C ATOM 833 OE1 GLU A 57 -10.744 -2.989 -5.732 1.00 0.00 O ATOM 834 OE2 GLU A 57 -12.899 -3.349 -5.499 1.00 0.00 O ATOM 0 H GLU A 57 -10.381 -1.333 -1.951 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.235 -0.978 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.974 0.141 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.451 -0.336 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.206 -2.440 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.845 -1.935 -3.474 1.00 0.00 H new ATOM 841 N ILE A 58 -10.001 2.032 -3.187 1.00 0.00 N ATOM 842 CA ILE A 58 -9.712 3.449 -3.355 1.00 0.00 C ATOM 843 C ILE A 58 -8.207 3.704 -3.316 1.00 0.00 C ATOM 844 O ILE A 58 -7.674 4.446 -4.140 1.00 0.00 O ATOM 845 CB ILE A 58 -10.410 4.287 -2.263 1.00 0.00 C ATOM 846 CG1 ILE A 58 -11.926 4.249 -2.458 1.00 0.00 C ATOM 847 CG2 ILE A 58 -9.910 5.727 -2.274 1.00 0.00 C ATOM 848 CD1 ILE A 58 -12.697 4.880 -1.320 1.00 0.00 C ATOM 0 H ILE A 58 -10.597 1.814 -2.389 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.096 3.751 -4.329 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.167 3.853 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.178 4.763 -3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.244 3.213 -2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.418 6.295 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.836 5.741 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.118 6.177 -3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.766 4.817 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.474 4.352 -0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.407 5.926 -1.220 1.00 0.00 H new ATOM 860 N LEU A 59 -7.536 3.087 -2.346 1.00 0.00 N ATOM 861 CA LEU A 59 -6.094 3.235 -2.174 1.00 0.00 C ATOM 862 C LEU A 59 -5.360 3.241 -3.512 1.00 0.00 C ATOM 863 O LEU A 59 -4.344 3.919 -3.673 1.00 0.00 O ATOM 864 CB LEU A 59 -5.566 2.110 -1.289 1.00 0.00 C ATOM 865 CG LEU A 59 -5.218 0.808 -2.015 1.00 0.00 C ATOM 866 CD1 LEU A 59 -3.812 0.871 -2.594 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.349 -0.364 -1.064 1.00 0.00 C ATOM 0 H LEU A 59 -7.975 2.473 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.909 4.197 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.675 2.466 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.312 1.891 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.916 0.673 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.587 -0.065 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.747 1.696 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.094 1.027 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.100 -1.287 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.668 -0.228 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.373 -0.421 -0.696 1.00 0.00 H new ATOM 879 N ASN A 60 -5.882 2.482 -4.468 1.00 0.00 N ATOM 880 CA ASN A 60 -5.280 2.399 -5.795 1.00 0.00 C ATOM 881 C ASN A 60 -5.072 3.787 -6.399 1.00 0.00 C ATOM 882 O ASN A 60 -4.260 3.961 -7.310 1.00 0.00 O ATOM 883 CB ASN A 60 -6.160 1.554 -6.720 1.00 0.00 C ATOM 884 CG ASN A 60 -5.523 1.329 -8.078 1.00 0.00 C ATOM 885 OD1 ASN A 60 -5.984 1.863 -9.086 1.00 0.00 O ATOM 886 ND2 ASN A 60 -4.459 0.537 -8.110 1.00 0.00 N ATOM 0 H ASN A 60 -6.721 1.915 -4.350 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.304 1.925 -5.691 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.356 0.590 -6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.123 2.047 -6.851 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.989 0.350 -8.996 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.111 0.115 -7.249 1.00 0.00 H new ATOM 893 N LEU A 61 -5.810 4.774 -5.893 1.00 0.00 N ATOM 894 CA LEU A 61 -5.705 6.140 -6.393 1.00 0.00 C ATOM 895 C LEU A 61 -5.425 7.128 -5.263 1.00 0.00 C ATOM 896 O LEU A 61 -6.121 8.133 -5.129 1.00 0.00 O ATOM 897 CB LEU A 61 -6.993 6.536 -7.115 1.00 0.00 C ATOM 898 CG LEU A 61 -7.379 5.641 -8.293 1.00 0.00 C ATOM 899 CD1 LEU A 61 -8.789 5.094 -8.111 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.270 6.410 -9.604 1.00 0.00 C ATOM 0 H LEU A 61 -6.485 4.652 -5.139 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.869 6.175 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.811 6.534 -6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.889 7.559 -7.475 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.687 4.800 -8.327 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.045 4.460 -8.959 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.836 4.509 -7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.495 5.922 -8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.548 5.758 -10.432 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.939 7.270 -9.578 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.244 6.753 -9.741 1.00 0.00 H new ATOM 912 N LEU A 62 -4.409 6.828 -4.449 1.00 0.00 N ATOM 913 CA LEU A 62 -4.022 7.677 -3.315 1.00 0.00 C ATOM 914 C LEU A 62 -4.346 9.157 -3.551 1.00 0.00 C ATOM 915 O LEU A 62 -3.520 9.911 -4.065 1.00 0.00 O ATOM 916 CB LEU A 62 -2.528 7.507 -3.035 1.00 0.00 C ATOM 917 CG LEU A 62 -2.148 6.215 -2.317 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.802 5.704 -2.810 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.128 6.425 -0.810 1.00 0.00 C ATOM 0 H LEU A 62 -3.832 5.993 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.605 7.356 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.989 7.551 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.188 8.351 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.902 5.461 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.549 4.782 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.857 5.509 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.035 6.454 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.855 5.492 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.399 7.195 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.116 6.738 -0.473 1.00 0.00 H new ATOM 931 N ASP A 63 -5.563 9.558 -3.179 1.00 0.00 N ATOM 932 CA ASP A 63 -6.009 10.940 -3.357 1.00 0.00 C ATOM 933 C ASP A 63 -6.031 11.698 -2.035 1.00 0.00 C ATOM 934 O ASP A 63 -5.802 11.122 -0.973 1.00 0.00 O ATOM 935 CB ASP A 63 -7.399 10.966 -3.994 1.00 0.00 C ATOM 936 CG ASP A 63 -7.598 12.161 -4.906 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.625 12.562 -5.582 1.00 0.00 O ATOM 938 OD2 ASP A 63 -8.725 12.697 -4.946 1.00 0.00 O ATOM 0 H ASP A 63 -6.257 8.945 -2.752 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.297 11.436 -4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.551 10.049 -4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.155 10.983 -3.209 1.00 0.00 H new ATOM 943 N THR A 64 -6.308 12.996 -2.102 1.00 0.00 N ATOM 944 CA THR A 64 -6.356 13.818 -0.900 1.00 0.00 C ATOM 945 C THR A 64 -7.624 13.530 -0.108 1.00 0.00 C ATOM 946 O THR A 64 -7.553 13.171 1.062 1.00 0.00 O ATOM 947 CB THR A 64 -6.274 15.306 -1.249 1.00 0.00 C ATOM 948 OG1 THR A 64 -5.726 15.489 -2.542 1.00 0.00 O ATOM 949 CG2 THR A 64 -5.427 16.095 -0.276 1.00 0.00 C ATOM 0 H THR A 64 -6.501 13.498 -2.969 1.00 0.00 H new ATOM 0 HA THR A 64 -5.493 13.565 -0.284 1.00 0.00 H new ATOM 0 HB THR A 64 -7.299 15.674 -1.201 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.684 16.446 -2.747 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.408 17.142 -0.577 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.851 16.013 0.725 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.411 15.699 -0.274 1.00 0.00 H new ATOM 957 N PRO A 65 -8.805 13.672 -0.729 1.00 0.00 N ATOM 958 CA PRO A 65 -10.069 13.405 -0.051 1.00 0.00 C ATOM 959 C PRO A 65 -10.344 11.908 0.083 1.00 0.00 C ATOM 960 O PRO A 65 -10.463 11.393 1.192 1.00 0.00 O ATOM 961 CB PRO A 65 -11.108 14.075 -0.948 1.00 0.00 C ATOM 962 CG PRO A 65 -10.498 14.113 -2.310 1.00 0.00 C ATOM 963 CD PRO A 65 -8.999 14.086 -2.130 1.00 0.00 C ATOM 0 HA PRO A 65 -10.076 13.784 0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.042 13.514 -0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.341 15.079 -0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.829 13.261 -2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.805 15.012 -2.844 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.529 13.386 -2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.558 15.065 -2.320 1.00 0.00 H new ATOM 971 N GLY A 66 -10.447 11.214 -1.051 1.00 0.00 N ATOM 972 CA GLY A 66 -10.716 9.783 -1.031 1.00 0.00 C ATOM 973 C GLY A 66 -9.883 9.042 -0.005 1.00 0.00 C ATOM 974 O GLY A 66 -10.424 8.438 0.921 1.00 0.00 O ATOM 0 H GLY A 66 -10.349 11.617 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.773 9.620 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.520 9.368 -2.020 1.00 0.00 H new ATOM 978 N LEU A 67 -8.568 9.086 -0.162 1.00 0.00 N ATOM 979 CA LEU A 67 -7.669 8.417 0.766 1.00 0.00 C ATOM 980 C LEU A 67 -7.894 8.905 2.194 1.00 0.00 C ATOM 981 O LEU A 67 -8.421 8.175 3.032 1.00 0.00 O ATOM 982 CB LEU A 67 -6.222 8.685 0.347 1.00 0.00 C ATOM 983 CG LEU A 67 -5.373 7.452 0.048 1.00 0.00 C ATOM 984 CD1 LEU A 67 -4.861 6.826 1.334 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.162 6.440 -0.771 1.00 0.00 C ATOM 0 H LEU A 67 -8.100 9.578 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.871 7.346 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.233 9.318 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.735 9.254 1.139 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.512 7.766 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.259 5.949 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.251 7.550 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.706 6.529 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.538 5.569 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.046 6.131 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.467 6.894 -1.714 1.00 0.00 H new ATOM 997 N LEU A 68 -7.490 10.147 2.461 1.00 0.00 N ATOM 998 CA LEU A 68 -7.626 10.745 3.796 1.00 0.00 C ATOM 999 C LEU A 68 -8.973 10.419 4.450 1.00 0.00 C ATOM 1000 O LEU A 68 -9.018 10.054 5.625 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.424 12.261 3.729 1.00 0.00 C ATOM 1002 CG LEU A 68 -6.096 12.763 4.304 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.934 11.942 3.764 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.898 14.242 3.990 1.00 0.00 C ATOM 0 H LEU A 68 -7.064 10.764 1.769 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.849 10.305 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.494 12.576 2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.241 12.745 4.264 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.127 12.644 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.999 12.314 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.067 10.897 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.903 12.027 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.949 14.579 4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.891 14.387 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.712 14.819 4.428 1.00 0.00 H new ATOM 1016 N ASP A 69 -10.064 10.550 3.700 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.386 10.257 4.248 1.00 0.00 C ATOM 1018 C ASP A 69 -11.527 8.769 4.550 1.00 0.00 C ATOM 1019 O ASP A 69 -11.835 8.381 5.675 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.495 10.707 3.290 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.284 11.884 3.829 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -12.727 13.001 3.872 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.458 11.688 4.210 1.00 0.00 O ATOM 0 H ASP A 69 -10.061 10.852 2.726 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.489 10.816 5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.054 10.978 2.330 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.172 9.873 3.106 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.294 7.940 3.539 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.394 6.493 3.698 1.00 0.00 C ATOM 1030 C ALA A 70 -10.346 5.956 4.671 1.00 0.00 C ATOM 1031 O ALA A 70 -10.401 4.792 5.071 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.262 5.803 2.349 1.00 0.00 C ATOM 0 H ALA A 70 -11.035 8.244 2.601 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.376 6.275 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.339 4.724 2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.058 6.144 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.295 6.046 1.909 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.393 6.801 5.056 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.349 6.395 5.985 1.00 0.00 C ATOM 1040 C LYS A 71 -8.900 6.288 7.402 1.00 0.00 C ATOM 1041 O LYS A 71 -8.758 5.255 8.055 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.193 7.397 5.965 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.284 7.298 4.744 1.00 0.00 C ATOM 1044 CD LYS A 71 -6.104 5.867 4.258 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.139 5.500 3.202 1.00 0.00 C ATOM 1046 NZ LYS A 71 -6.736 4.296 2.420 1.00 0.00 N ATOM 0 H LYS A 71 -9.324 7.768 4.739 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.983 5.418 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.604 8.406 6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.591 7.254 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.700 7.901 3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.309 7.720 4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.103 5.746 3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.186 5.182 5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.099 5.315 3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.280 6.342 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.585 3.775 2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.198 4.591 1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.143 3.680 3.012 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.531 7.361 7.870 1.00 0.00 N ATOM 1061 CA VAL A 72 -10.101 7.385 9.210 1.00 0.00 C ATOM 1062 C VAL A 72 -11.390 6.574 9.268 1.00 0.00 C ATOM 1063 O VAL A 72 -11.599 5.790 10.192 1.00 0.00 O ATOM 1064 CB VAL A 72 -10.380 8.825 9.678 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -9.092 9.633 9.711 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -11.416 9.493 8.785 1.00 0.00 C ATOM 0 H VAL A 72 -9.660 8.223 7.341 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.366 6.938 9.879 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.784 8.784 10.689 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.308 10.648 10.044 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.388 9.167 10.400 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.656 9.664 8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -11.597 10.509 9.135 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.048 9.522 7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -12.346 8.926 8.820 1.00 0.00 H new ATOM 1076 N GLN A 73 -12.257 6.774 8.282 1.00 0.00 N ATOM 1077 CA GLN A 73 -13.529 6.065 8.226 1.00 0.00 C ATOM 1078 C GLN A 73 -13.328 4.554 8.326 1.00 0.00 C ATOM 1079 O GLN A 73 -14.028 3.878 9.076 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.268 6.413 6.934 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.504 7.904 6.747 1.00 0.00 C ATOM 1082 CD GLN A 73 -15.514 8.463 7.727 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -15.474 8.161 8.920 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -16.431 9.285 7.228 1.00 0.00 N ATOM 0 H GLN A 73 -12.102 7.422 7.510 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.129 6.382 9.079 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.697 6.035 6.086 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.229 5.898 6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.559 8.435 6.863 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.850 8.088 5.730 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.428 9.509 6.233 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -17.138 9.692 7.840 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.374 4.029 7.562 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.095 2.598 7.567 1.00 0.00 C ATOM 1095 C GLU A 74 -11.333 2.180 8.824 1.00 0.00 C ATOM 1096 O GLU A 74 -11.593 1.118 9.390 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.302 2.206 6.324 1.00 0.00 C ATOM 1098 CG GLU A 74 -10.983 0.721 6.248 1.00 0.00 C ATOM 1099 CD GLU A 74 -9.674 0.369 6.932 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -8.705 1.143 6.791 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -9.623 -0.678 7.610 1.00 0.00 O ATOM 0 H GLU A 74 -11.783 4.573 6.933 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.052 2.076 7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.867 2.493 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.370 2.771 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.793 0.155 6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.936 0.416 5.202 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.388 3.014 9.252 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.596 2.714 10.441 1.00 0.00 C ATOM 1110 C ALA A 75 -10.448 2.785 11.700 1.00 0.00 C ATOM 1111 O ALA A 75 -10.467 1.853 12.500 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.410 3.659 10.555 1.00 0.00 C ATOM 0 H ALA A 75 -10.154 3.896 8.797 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.220 1.696 10.339 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.835 3.415 11.449 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.775 3.554 9.675 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.768 4.686 10.623 1.00 0.00 H new ATOM 1118 N LEU A 76 -11.157 3.894 11.872 1.00 0.00 N ATOM 1119 CA LEU A 76 -12.008 4.064 13.039 1.00 0.00 C ATOM 1120 C LEU A 76 -13.145 3.048 13.025 1.00 0.00 C ATOM 1121 O LEU A 76 -13.595 2.595 14.077 1.00 0.00 O ATOM 1122 CB LEU A 76 -12.573 5.486 13.102 1.00 0.00 C ATOM 1123 CG LEU A 76 -11.682 6.513 13.806 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -12.392 7.855 13.903 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -11.276 6.026 15.193 1.00 0.00 C ATOM 0 H LEU A 76 -11.159 4.681 11.224 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.398 3.897 13.927 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.762 5.830 12.085 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.536 5.455 13.612 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.777 6.638 13.212 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.745 8.574 14.406 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -12.626 8.216 12.901 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.315 7.738 14.471 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.644 6.774 15.671 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.168 5.865 15.798 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.725 5.090 15.103 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.604 2.689 11.827 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.685 1.721 11.688 1.00 0.00 C ATOM 1139 C GLU A 77 -14.236 0.341 12.152 1.00 0.00 C ATOM 1140 O GLU A 77 -14.998 -0.385 12.785 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.178 1.659 10.241 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.288 0.645 10.018 1.00 0.00 C ATOM 1143 CD GLU A 77 -16.735 0.581 8.571 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.472 1.548 7.827 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -17.349 -0.434 8.184 1.00 0.00 O ATOM 0 H GLU A 77 -13.245 3.053 10.944 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.511 2.048 12.320 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.534 2.646 9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.338 1.415 9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.944 -0.340 10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.141 0.900 10.647 1.00 0.00 H new ATOM 1152 N VAL A 78 -12.996 -0.020 11.842 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.464 -1.315 12.247 1.00 0.00 C ATOM 1154 C VAL A 78 -11.796 -1.227 13.621 1.00 0.00 C ATOM 1155 O VAL A 78 -11.364 -2.236 14.176 1.00 0.00 O ATOM 1156 CB VAL A 78 -11.459 -1.873 11.216 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -10.256 -0.953 11.072 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -11.024 -3.281 11.597 1.00 0.00 C ATOM 0 H VAL A 78 -12.344 0.562 11.315 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.310 -2.000 12.303 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.959 -1.921 10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.565 -1.370 10.340 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.588 0.030 10.739 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.753 -0.859 12.034 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.316 -3.656 10.858 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.549 -3.262 12.578 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.895 -3.935 11.629 1.00 0.00 H new