USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=8 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 34 HIS : no HD1:sc= -26.9! C(o=-30!,f=-31!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -98:sc= -3.55! (180deg=-5.56!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.671 F(o=-2.5!,f=-0.67) USER MOD Single : A 39 ASN :FLIP amide:sc= -4 F(o=-5.2!,f=-4) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 78:sc= 0.557 USER MOD Single : A 49 MET CE :methyl 145:sc= -0.477 (180deg=-2.74!) USER MOD Single : A 53 MET CE :methyl 157:sc= -0.323 (180deg=-1.13) USER MOD Single : A 55 ASN : amide:sc= -2.11 K(o=-2.1,f=-5.9!) USER MOD Single : A 60 ASN : amide:sc= -0.904 X(o=-0.9,f=-1.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 6.581 3.334 -1.624 1.00 0.00 N ATOM 363 CA VAL A 26 6.292 4.703 -2.039 1.00 0.00 C ATOM 364 C VAL A 26 4.942 5.169 -1.496 1.00 0.00 C ATOM 365 O VAL A 26 4.810 6.289 -1.010 1.00 0.00 O ATOM 366 CB VAL A 26 6.319 4.843 -3.578 1.00 0.00 C ATOM 367 CG1 VAL A 26 5.009 4.392 -4.212 1.00 0.00 C ATOM 368 CG2 VAL A 26 6.644 6.276 -3.975 1.00 0.00 C ATOM 0 HA VAL A 26 7.074 5.338 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 26 7.104 4.187 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.070 4.507 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.828 3.345 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.190 5.001 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.659 6.358 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.885 6.946 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.621 6.551 -3.577 1.00 0.00 H new ATOM 378 N LEU A 27 3.945 4.299 -1.590 1.00 0.00 N ATOM 379 CA LEU A 27 2.609 4.618 -1.111 1.00 0.00 C ATOM 380 C LEU A 27 2.520 4.467 0.404 1.00 0.00 C ATOM 381 O LEU A 27 2.035 5.360 1.094 1.00 0.00 O ATOM 382 CB LEU A 27 1.571 3.718 -1.781 1.00 0.00 C ATOM 383 CG LEU A 27 1.591 3.727 -3.310 1.00 0.00 C ATOM 384 CD1 LEU A 27 0.451 2.879 -3.855 1.00 0.00 C ATOM 385 CD2 LEU A 27 1.497 5.151 -3.839 1.00 0.00 C ATOM 0 H LEU A 27 4.037 3.367 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 27 2.402 5.656 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.725 2.695 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.580 4.021 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 27 2.536 3.300 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.476 2.893 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.560 1.853 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.500 3.282 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.513 5.136 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.568 5.606 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.343 5.732 -3.472 1.00 0.00 H new ATOM 397 N GLY A 28 2.982 3.329 0.915 1.00 0.00 N ATOM 398 CA GLY A 28 2.928 3.077 2.347 1.00 0.00 C ATOM 399 C GLY A 28 3.709 4.092 3.152 1.00 0.00 C ATOM 400 O GLY A 28 3.198 4.642 4.128 1.00 0.00 O ATOM 0 H GLY A 28 3.393 2.576 0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.888 3.084 2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.319 2.080 2.551 1.00 0.00 H new ATOM 404 N GLU A 29 4.947 4.357 2.747 1.00 0.00 N ATOM 405 CA GLU A 29 5.780 5.328 3.451 1.00 0.00 C ATOM 406 C GLU A 29 5.071 6.675 3.513 1.00 0.00 C ATOM 407 O GLU A 29 4.907 7.255 4.586 1.00 0.00 O ATOM 408 CB GLU A 29 7.133 5.476 2.751 1.00 0.00 C ATOM 409 CG GLU A 29 8.023 4.249 2.877 1.00 0.00 C ATOM 410 CD GLU A 29 9.450 4.604 3.253 1.00 0.00 C ATOM 411 OE1 GLU A 29 9.873 5.743 2.971 1.00 0.00 O ATOM 412 OE2 GLU A 29 10.145 3.737 3.826 1.00 0.00 O ATOM 0 H GLU A 29 5.394 3.918 1.942 1.00 0.00 H new ATOM 0 HA GLU A 29 5.952 4.971 4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.965 5.685 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.655 6.337 3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.608 3.579 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.024 3.706 1.932 1.00 0.00 H new ATOM 419 N ARG A 30 4.647 7.164 2.353 1.00 0.00 N ATOM 420 CA ARG A 30 3.948 8.440 2.269 1.00 0.00 C ATOM 421 C ARG A 30 2.549 8.344 2.879 1.00 0.00 C ATOM 422 O ARG A 30 1.917 9.366 3.154 1.00 0.00 O ATOM 423 CB ARG A 30 3.855 8.900 0.813 1.00 0.00 C ATOM 424 CG ARG A 30 5.190 8.862 0.083 1.00 0.00 C ATOM 425 CD ARG A 30 6.171 9.875 0.649 1.00 0.00 C ATOM 426 NE ARG A 30 7.363 10.004 -0.188 1.00 0.00 N ATOM 427 CZ ARG A 30 8.003 11.152 -0.409 1.00 0.00 C ATOM 428 NH1 ARG A 30 7.588 12.278 0.161 1.00 0.00 N ATOM 429 NH2 ARG A 30 9.069 11.172 -1.199 1.00 0.00 N ATOM 0 H ARG A 30 4.776 6.695 1.457 1.00 0.00 H new ATOM 0 HA ARG A 30 4.519 9.173 2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.142 8.268 0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.462 9.916 0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.617 7.862 0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.031 9.063 -0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.682 10.845 0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.464 9.574 1.655 1.00 0.00 H new ATOM 0 HE ARG A 30 7.728 9.161 -0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.773 12.269 0.774 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.085 13.152 -0.014 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.397 10.310 -1.635 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.561 12.049 -1.370 1.00 0.00 H new ATOM 443 N LEU A 31 2.063 7.120 3.086 1.00 0.00 N ATOM 444 CA LEU A 31 0.741 6.915 3.656 1.00 0.00 C ATOM 445 C LEU A 31 0.756 7.143 5.168 1.00 0.00 C ATOM 446 O LEU A 31 0.082 8.027 5.686 1.00 0.00 O ATOM 447 CB LEU A 31 0.268 5.489 3.358 1.00 0.00 C ATOM 448 CG LEU A 31 -1.069 5.381 2.627 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.864 4.910 1.199 1.00 0.00 C ATOM 450 CD2 LEU A 31 -2.012 4.443 3.365 1.00 0.00 C ATOM 0 H LEU A 31 2.567 6.261 2.867 1.00 0.00 H new ATOM 0 HA LEU A 31 0.057 7.634 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.031 4.989 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.193 4.945 4.300 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.521 6.373 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.829 4.840 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.230 5.621 0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.386 3.930 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.958 4.381 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.564 3.451 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.191 4.824 4.371 1.00 0.00 H new ATOM 462 N TYR A 32 1.533 6.335 5.868 1.00 0.00 N ATOM 463 CA TYR A 32 1.635 6.433 7.319 1.00 0.00 C ATOM 464 C TYR A 32 1.867 7.877 7.776 1.00 0.00 C ATOM 465 O TYR A 32 1.457 8.257 8.866 1.00 0.00 O ATOM 466 CB TYR A 32 2.768 5.524 7.805 1.00 0.00 C ATOM 467 CG TYR A 32 2.688 5.136 9.266 1.00 0.00 C ATOM 468 CD1 TYR A 32 3.134 5.999 10.262 1.00 0.00 C ATOM 469 CD2 TYR A 32 2.180 3.900 9.649 1.00 0.00 C ATOM 470 CE1 TYR A 32 3.074 5.639 11.595 1.00 0.00 C ATOM 471 CE2 TYR A 32 2.116 3.534 10.980 1.00 0.00 C ATOM 472 CZ TYR A 32 2.565 4.408 11.949 1.00 0.00 C ATOM 473 OH TYR A 32 2.505 4.047 13.277 1.00 0.00 O ATOM 0 H TYR A 32 2.106 5.599 5.455 1.00 0.00 H new ATOM 0 HA TYR A 32 0.690 6.109 7.756 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.770 4.616 7.202 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.719 6.026 7.629 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.533 6.965 9.989 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.829 3.213 8.893 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.425 6.320 12.357 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.717 2.570 11.260 1.00 0.00 H new ATOM 0 HH TYR A 32 2.120 3.149 13.355 1.00 0.00 H new ATOM 483 N ASN A 33 2.541 8.664 6.945 1.00 0.00 N ATOM 484 CA ASN A 33 2.847 10.060 7.272 1.00 0.00 C ATOM 485 C ASN A 33 1.602 10.946 7.276 1.00 0.00 C ATOM 486 O ASN A 33 1.466 11.829 8.122 1.00 0.00 O ATOM 487 CB ASN A 33 3.881 10.600 6.274 1.00 0.00 C ATOM 488 CG ASN A 33 3.914 12.118 6.203 1.00 0.00 C ATOM 489 OD1 ASN A 33 2.885 12.708 5.602 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 4.855 12.751 6.682 1.00 0.00 N flip ATOM 0 H ASN A 33 2.889 8.361 6.035 1.00 0.00 H new ATOM 0 HA ASN A 33 3.253 10.084 8.283 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.869 10.235 6.553 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.662 10.202 5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.624 12.257 7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.865 13.769 6.626 1.00 0.00 H new ATOM 497 N HIS A 34 0.710 10.731 6.324 1.00 0.00 N ATOM 498 CA HIS A 34 -0.495 11.540 6.236 1.00 0.00 C ATOM 499 C HIS A 34 -1.356 11.358 7.482 1.00 0.00 C ATOM 500 O HIS A 34 -1.994 12.291 7.962 1.00 0.00 O ATOM 501 CB HIS A 34 -1.303 11.146 4.997 1.00 0.00 C ATOM 502 CG HIS A 34 -1.921 9.788 5.098 1.00 0.00 C ATOM 503 ND1 HIS A 34 -1.635 8.748 4.246 1.00 0.00 N ATOM 504 CD2 HIS A 34 -2.787 9.300 6.001 1.00 0.00 C ATOM 505 CE1 HIS A 34 -2.304 7.673 4.640 1.00 0.00 C ATOM 506 NE2 HIS A 34 -3.008 7.989 5.701 1.00 0.00 N ATOM 0 H HIS A 34 0.795 10.010 5.607 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.199 12.586 6.160 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.089 11.884 4.835 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.652 11.177 4.123 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.230 9.849 6.819 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.274 6.702 4.168 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.620 7.357 6.217 1.00 0.00 H new ATOM 515 N ILE A 35 -1.391 10.127 7.957 1.00 0.00 N ATOM 516 CA ILE A 35 -2.201 9.752 9.118 1.00 0.00 C ATOM 517 C ILE A 35 -1.409 9.759 10.431 1.00 0.00 C ATOM 518 O ILE A 35 -1.981 10.009 11.489 1.00 0.00 O ATOM 519 CB ILE A 35 -2.835 8.355 8.914 1.00 0.00 C ATOM 520 CG1 ILE A 35 -3.549 7.876 10.189 1.00 0.00 C ATOM 521 CG2 ILE A 35 -1.769 7.363 8.483 1.00 0.00 C ATOM 522 CD1 ILE A 35 -4.953 7.359 9.942 1.00 0.00 C ATOM 0 H ILE A 35 -0.862 9.354 7.554 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.980 10.510 9.199 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.587 8.427 8.128 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.957 7.087 10.652 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.594 8.700 10.901 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.221 6.382 8.341 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.321 7.695 7.547 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.999 7.300 9.252 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.394 7.039 10.886 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.562 8.152 9.507 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.914 6.514 9.255 1.00 0.00 H new ATOM 534 N VAL A 36 -0.109 9.471 10.380 1.00 0.00 N ATOM 535 CA VAL A 36 0.697 9.444 11.606 1.00 0.00 C ATOM 536 C VAL A 36 0.440 10.685 12.456 1.00 0.00 C ATOM 537 O VAL A 36 0.173 10.584 13.651 1.00 0.00 O ATOM 538 CB VAL A 36 2.214 9.314 11.332 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.734 10.511 10.561 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.976 9.148 12.638 1.00 0.00 C ATOM 0 H VAL A 36 0.403 9.257 9.524 1.00 0.00 H new ATOM 0 HA VAL A 36 0.383 8.553 12.149 1.00 0.00 H new ATOM 0 HB VAL A 36 2.373 8.426 10.720 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.803 10.393 10.383 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.213 10.583 9.607 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.561 11.419 11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.042 9.058 12.428 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.803 10.017 13.273 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.630 8.250 13.150 1.00 0.00 H new ATOM 550 N ALA A 37 0.517 11.855 11.831 1.00 0.00 N ATOM 551 CA ALA A 37 0.284 13.110 12.532 1.00 0.00 C ATOM 552 C ALA A 37 -1.206 13.347 12.754 1.00 0.00 C ATOM 553 O ALA A 37 -1.599 14.110 13.636 1.00 0.00 O ATOM 554 CB ALA A 37 0.889 14.269 11.757 1.00 0.00 C ATOM 0 H ALA A 37 0.739 11.959 10.841 1.00 0.00 H new ATOM 0 HA ALA A 37 0.767 13.045 13.507 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.707 15.200 12.294 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.963 14.115 11.652 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.432 14.324 10.769 1.00 0.00 H new ATOM 560 N ILE A 38 -2.034 12.694 11.944 1.00 0.00 N ATOM 561 CA ILE A 38 -3.485 12.849 12.061 1.00 0.00 C ATOM 562 C ILE A 38 -4.066 11.860 13.074 1.00 0.00 C ATOM 563 O ILE A 38 -4.499 12.252 14.157 1.00 0.00 O ATOM 564 CB ILE A 38 -4.191 12.680 10.690 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.985 13.927 9.821 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.683 12.414 10.867 1.00 0.00 C ATOM 567 CD1 ILE A 38 -2.533 14.309 9.616 1.00 0.00 C ATOM 0 H ILE A 38 -1.732 12.058 11.206 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.669 13.863 12.416 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.744 11.820 10.192 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.445 13.758 8.848 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.508 14.766 10.279 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.151 12.300 9.889 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.824 11.501 11.445 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.142 13.251 11.393 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.476 15.200 8.991 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.071 14.513 10.582 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.007 13.489 9.128 1.00 0.00 H new ATOM 579 N ASN A 39 -4.062 10.577 12.720 1.00 0.00 N ATOM 580 CA ASN A 39 -4.578 9.536 13.606 1.00 0.00 C ATOM 581 C ASN A 39 -3.524 8.464 13.877 1.00 0.00 C ATOM 582 O ASN A 39 -3.540 7.400 13.258 1.00 0.00 O ATOM 583 CB ASN A 39 -5.828 8.892 13.012 1.00 0.00 C ATOM 584 CG ASN A 39 -6.550 8.012 14.013 1.00 0.00 C ATOM 585 OD1 ASN A 39 -7.549 7.275 13.545 1.00 0.00 O flip ATOM 586 ND2 ASN A 39 -6.211 7.994 15.197 1.00 0.00 N flip ATOM 0 H ASN A 39 -3.708 10.233 11.827 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.837 10.011 14.552 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.505 9.671 12.662 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.550 8.297 12.142 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.437 8.577 15.515 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.705 7.396 15.860 1.00 0.00 H new ATOM 593 N PRO A 40 -2.594 8.728 14.807 1.00 0.00 N ATOM 594 CA PRO A 40 -1.534 7.777 15.156 1.00 0.00 C ATOM 595 C PRO A 40 -2.080 6.390 15.487 1.00 0.00 C ATOM 596 O PRO A 40 -1.465 5.377 15.151 1.00 0.00 O ATOM 597 CB PRO A 40 -0.884 8.400 16.391 1.00 0.00 C ATOM 598 CG PRO A 40 -1.182 9.856 16.293 1.00 0.00 C ATOM 599 CD PRO A 40 -2.504 9.974 15.589 1.00 0.00 C ATOM 0 HA PRO A 40 -0.844 7.621 14.327 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.292 7.975 17.308 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.191 8.218 16.405 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.228 10.310 17.283 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.400 10.376 15.740 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.328 10.063 16.297 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.539 10.854 14.946 1.00 0.00 H new ATOM 607 N ALA A 41 -3.234 6.348 16.148 1.00 0.00 N ATOM 608 CA ALA A 41 -3.857 5.079 16.524 1.00 0.00 C ATOM 609 C ALA A 41 -4.744 4.546 15.402 1.00 0.00 C ATOM 610 O ALA A 41 -5.868 4.100 15.638 1.00 0.00 O ATOM 611 CB ALA A 41 -4.662 5.246 17.805 1.00 0.00 C ATOM 0 H ALA A 41 -3.757 7.176 16.434 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.064 4.351 16.698 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.120 4.294 18.073 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.002 5.571 18.610 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.441 5.993 17.651 1.00 0.00 H new ATOM 617 N ALA A 42 -4.225 4.595 14.183 1.00 0.00 N ATOM 618 CA ALA A 42 -4.942 4.117 13.011 1.00 0.00 C ATOM 619 C ALA A 42 -3.961 3.839 11.884 1.00 0.00 C ATOM 620 O ALA A 42 -4.093 2.859 11.155 1.00 0.00 O ATOM 621 CB ALA A 42 -5.987 5.131 12.575 1.00 0.00 C ATOM 0 H ALA A 42 -3.297 4.967 13.980 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.456 3.190 13.265 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.513 4.756 11.697 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.699 5.290 13.385 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.499 6.074 12.330 1.00 0.00 H new ATOM 627 N ALA A 43 -2.977 4.729 11.759 1.00 0.00 N ATOM 628 CA ALA A 43 -1.940 4.622 10.737 1.00 0.00 C ATOM 629 C ALA A 43 -1.567 3.169 10.468 1.00 0.00 C ATOM 630 O ALA A 43 -1.521 2.729 9.320 1.00 0.00 O ATOM 631 CB ALA A 43 -0.712 5.409 11.175 1.00 0.00 C ATOM 0 H ALA A 43 -2.878 5.544 12.364 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.330 5.038 9.808 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.062 5.329 10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.981 6.457 11.311 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.338 5.005 12.116 1.00 0.00 H new ATOM 637 N ALA A 44 -1.282 2.436 11.536 1.00 0.00 N ATOM 638 CA ALA A 44 -0.895 1.037 11.422 1.00 0.00 C ATOM 639 C ALA A 44 -1.908 0.224 10.614 1.00 0.00 C ATOM 640 O ALA A 44 -1.551 -0.759 9.967 1.00 0.00 O ATOM 641 CB ALA A 44 -0.715 0.433 12.805 1.00 0.00 C ATOM 0 H ALA A 44 -1.312 2.788 12.493 1.00 0.00 H new ATOM 0 HA ALA A 44 0.052 1.000 10.884 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.426 -0.614 12.710 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.062 0.977 13.341 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.652 0.502 13.357 1.00 0.00 H new ATOM 647 N LYS A 45 -3.173 0.631 10.669 1.00 0.00 N ATOM 648 CA LYS A 45 -4.237 -0.072 9.955 1.00 0.00 C ATOM 649 C LYS A 45 -4.391 0.422 8.519 1.00 0.00 C ATOM 650 O LYS A 45 -4.489 -0.377 7.591 1.00 0.00 O ATOM 651 CB LYS A 45 -5.566 0.089 10.690 1.00 0.00 C ATOM 652 CG LYS A 45 -5.586 -0.560 12.064 1.00 0.00 C ATOM 653 CD LYS A 45 -6.059 -2.001 11.994 1.00 0.00 C ATOM 654 CE LYS A 45 -6.226 -2.605 13.378 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.354 -3.797 13.572 1.00 0.00 N ATOM 0 H LYS A 45 -3.487 1.443 11.200 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.956 -1.125 9.921 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.786 1.151 10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.362 -0.342 10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.587 -0.525 12.498 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.241 0.007 12.725 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.008 -2.047 11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.343 -2.592 11.423 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.989 -1.855 14.133 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.268 -2.889 13.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.497 -4.180 14.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.597 -4.523 12.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.358 -3.521 13.455 1.00 0.00 H new ATOM 669 N VAL A 46 -4.423 1.739 8.341 1.00 0.00 N ATOM 670 CA VAL A 46 -4.580 2.316 7.011 1.00 0.00 C ATOM 671 C VAL A 46 -3.420 1.931 6.098 1.00 0.00 C ATOM 672 O VAL A 46 -3.622 1.661 4.921 1.00 0.00 O ATOM 673 CB VAL A 46 -4.705 3.849 7.065 1.00 0.00 C ATOM 674 CG1 VAL A 46 -3.483 4.458 7.715 1.00 0.00 C ATOM 675 CG2 VAL A 46 -4.931 4.425 5.673 1.00 0.00 C ATOM 0 H VAL A 46 -4.343 2.422 9.094 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.504 1.907 6.602 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.574 4.101 7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.589 5.542 7.745 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.382 4.075 8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.596 4.196 7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.016 5.510 5.738 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.090 4.165 5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.849 4.013 5.254 1.00 0.00 H new ATOM 685 N THR A 47 -2.209 1.908 6.644 1.00 0.00 N ATOM 686 CA THR A 47 -1.028 1.550 5.865 1.00 0.00 C ATOM 687 C THR A 47 -0.948 0.037 5.657 1.00 0.00 C ATOM 688 O THR A 47 -0.830 -0.442 4.529 1.00 0.00 O ATOM 689 CB THR A 47 0.238 2.044 6.569 1.00 0.00 C ATOM 690 OG1 THR A 47 0.087 3.391 6.981 1.00 0.00 O ATOM 691 CG2 THR A 47 1.480 1.965 5.705 1.00 0.00 C ATOM 0 H THR A 47 -2.019 2.132 7.621 1.00 0.00 H new ATOM 0 HA THR A 47 -1.108 2.029 4.889 1.00 0.00 H new ATOM 0 HB THR A 47 0.370 1.379 7.423 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.453 3.425 7.798 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.339 2.331 6.268 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.653 0.930 5.411 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.343 2.577 4.814 1.00 0.00 H new ATOM 699 N GLY A 48 -1.001 -0.706 6.757 1.00 0.00 N ATOM 700 CA GLY A 48 -0.921 -2.156 6.692 1.00 0.00 C ATOM 701 C GLY A 48 -2.056 -2.760 5.897 1.00 0.00 C ATOM 702 O GLY A 48 -1.861 -3.708 5.136 1.00 0.00 O ATOM 0 H GLY A 48 -1.099 -0.328 7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.029 -2.445 6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.932 -2.564 7.703 1.00 0.00 H new ATOM 706 N MET A 49 -3.245 -2.204 6.076 1.00 0.00 N ATOM 707 CA MET A 49 -4.426 -2.677 5.370 1.00 0.00 C ATOM 708 C MET A 49 -4.584 -1.943 4.046 1.00 0.00 C ATOM 709 O MET A 49 -4.863 -2.566 3.026 1.00 0.00 O ATOM 710 CB MET A 49 -5.677 -2.483 6.229 1.00 0.00 C ATOM 711 CG MET A 49 -5.529 -3.018 7.643 1.00 0.00 C ATOM 712 SD MET A 49 -5.563 -4.820 7.710 1.00 0.00 S ATOM 713 CE MET A 49 -3.826 -5.195 7.493 1.00 0.00 C ATOM 0 H MET A 49 -3.418 -1.421 6.707 1.00 0.00 H new ATOM 0 HA MET A 49 -4.301 -3.741 5.169 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.916 -1.421 6.274 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.520 -2.979 5.747 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.591 -2.660 8.067 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.331 -2.620 8.264 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.567 -6.073 8.084 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.625 -5.394 6.440 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.227 -4.346 7.823 1.00 0.00 H new ATOM 723 N LEU A 50 -4.420 -0.613 4.095 1.00 0.00 N ATOM 724 CA LEU A 50 -4.556 0.271 2.923 1.00 0.00 C ATOM 725 C LEU A 50 -5.362 -0.355 1.789 1.00 0.00 C ATOM 726 O LEU A 50 -6.461 0.102 1.473 1.00 0.00 O ATOM 727 CB LEU A 50 -3.177 0.664 2.397 1.00 0.00 C ATOM 728 CG LEU A 50 -3.195 1.551 1.149 1.00 0.00 C ATOM 729 CD1 LEU A 50 -3.801 2.915 1.462 1.00 0.00 C ATOM 730 CD2 LEU A 50 -1.793 1.700 0.579 1.00 0.00 C ATOM 0 H LEU A 50 -4.188 -0.115 4.954 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.101 1.150 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.637 1.184 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.617 -0.244 2.172 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.820 1.070 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.803 3.528 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.824 2.786 1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.210 3.407 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.826 2.334 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.143 2.155 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.404 0.718 0.309 1.00 0.00 H new ATOM 742 N LEU A 51 -4.815 -1.398 1.182 1.00 0.00 N ATOM 743 CA LEU A 51 -5.488 -2.079 0.091 1.00 0.00 C ATOM 744 C LEU A 51 -6.547 -3.031 0.623 1.00 0.00 C ATOM 745 O LEU A 51 -6.377 -4.250 0.592 1.00 0.00 O ATOM 746 CB LEU A 51 -4.466 -2.836 -0.759 1.00 0.00 C ATOM 747 CG LEU A 51 -3.587 -1.951 -1.641 1.00 0.00 C ATOM 748 CD1 LEU A 51 -2.456 -1.341 -0.833 1.00 0.00 C ATOM 749 CD2 LEU A 51 -3.050 -2.741 -2.826 1.00 0.00 C ATOM 0 H LEU A 51 -3.906 -1.790 1.428 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.984 -1.335 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.824 -3.418 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.996 -3.545 -1.394 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.198 -1.136 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.843 -0.715 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.870 -0.734 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.842 -2.136 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.426 -2.094 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.456 -3.580 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.883 -3.116 -3.421 1.00 0.00 H new ATOM 761 N GLU A 52 -7.642 -2.464 1.118 1.00 0.00 N ATOM 762 CA GLU A 52 -8.733 -3.255 1.665 1.00 0.00 C ATOM 763 C GLU A 52 -9.861 -3.390 0.650 1.00 0.00 C ATOM 764 O GLU A 52 -9.785 -2.858 -0.454 1.00 0.00 O ATOM 765 CB GLU A 52 -9.267 -2.612 2.944 1.00 0.00 C ATOM 766 CG GLU A 52 -8.352 -2.792 4.144 1.00 0.00 C ATOM 767 CD GLU A 52 -8.653 -4.057 4.923 1.00 0.00 C ATOM 768 OE1 GLU A 52 -9.714 -4.113 5.578 1.00 0.00 O ATOM 769 OE2 GLU A 52 -7.827 -4.992 4.876 1.00 0.00 O ATOM 0 H GLU A 52 -7.796 -1.456 1.151 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.348 -4.248 1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.418 -1.547 2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.243 -3.039 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.316 -2.816 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.452 -1.931 4.805 1.00 0.00 H new ATOM 776 N MET A 53 -10.909 -4.107 1.033 1.00 0.00 N ATOM 777 CA MET A 53 -12.055 -4.311 0.156 1.00 0.00 C ATOM 778 C MET A 53 -12.599 -2.976 -0.357 1.00 0.00 C ATOM 779 O MET A 53 -12.612 -2.724 -1.562 1.00 0.00 O ATOM 780 CB MET A 53 -13.166 -5.079 0.889 1.00 0.00 C ATOM 781 CG MET A 53 -12.730 -5.716 2.199 1.00 0.00 C ATOM 782 SD MET A 53 -12.736 -4.559 3.587 1.00 0.00 S ATOM 783 CE MET A 53 -14.470 -4.126 3.675 1.00 0.00 C ATOM 0 H MET A 53 -10.990 -4.557 1.945 1.00 0.00 H new ATOM 0 HA MET A 53 -11.719 -4.900 -0.698 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.992 -4.396 1.088 1.00 0.00 H new ATOM 0 HB3 MET A 53 -13.548 -5.858 0.230 1.00 0.00 H new ATOM 0 HG2 MET A 53 -13.392 -6.552 2.428 1.00 0.00 H new ATOM 0 HG3 MET A 53 -11.727 -6.127 2.080 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.706 -3.771 4.678 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.686 -3.340 2.952 1.00 0.00 H new ATOM 0 HE3 MET A 53 -15.076 -5.003 3.449 1.00 0.00 H new ATOM 793 N ASP A 54 -13.037 -2.122 0.565 1.00 0.00 N ATOM 794 CA ASP A 54 -13.575 -0.820 0.194 1.00 0.00 C ATOM 795 C ASP A 54 -12.489 0.254 0.183 1.00 0.00 C ATOM 796 O ASP A 54 -12.152 0.788 -0.873 1.00 0.00 O ATOM 797 CB ASP A 54 -14.720 -0.429 1.126 1.00 0.00 C ATOM 798 CG ASP A 54 -14.346 -0.494 2.595 1.00 0.00 C ATOM 799 OD1 ASP A 54 -13.364 -1.190 2.930 1.00 0.00 O ATOM 800 OD2 ASP A 54 -15.035 0.154 3.410 1.00 0.00 O ATOM 0 H ASP A 54 -13.029 -2.308 1.568 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.966 -0.897 -0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.046 0.583 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.569 -1.089 0.945 1.00 0.00 H new ATOM 805 N ASN A 55 -11.939 0.572 1.355 1.00 0.00 N ATOM 806 CA ASN A 55 -10.889 1.583 1.458 1.00 0.00 C ATOM 807 C ASN A 55 -9.811 1.362 0.403 1.00 0.00 C ATOM 808 O ASN A 55 -9.120 2.299 0.001 1.00 0.00 O ATOM 809 CB ASN A 55 -10.259 1.557 2.853 1.00 0.00 C ATOM 810 CG ASN A 55 -9.155 2.588 3.008 1.00 0.00 C ATOM 811 OD1 ASN A 55 -9.243 3.694 2.473 1.00 0.00 O ATOM 812 ND2 ASN A 55 -8.110 2.231 3.743 1.00 0.00 N ATOM 0 H ASN A 55 -12.203 0.145 2.243 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.346 2.558 1.288 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.031 1.740 3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.855 0.564 3.048 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.338 2.883 3.883 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.078 1.304 4.168 1.00 0.00 H new ATOM 819 N GLY A 56 -9.671 0.117 -0.040 1.00 0.00 N ATOM 820 CA GLY A 56 -8.676 -0.206 -1.040 1.00 0.00 C ATOM 821 C GLY A 56 -9.041 0.303 -2.419 1.00 0.00 C ATOM 822 O GLY A 56 -8.363 1.170 -2.956 1.00 0.00 O ATOM 0 H GLY A 56 -10.231 -0.674 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.718 0.220 -0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.546 -1.287 -1.080 1.00 0.00 H new ATOM 826 N GLU A 57 -10.098 -0.248 -3.012 1.00 0.00 N ATOM 827 CA GLU A 57 -10.515 0.160 -4.360 1.00 0.00 C ATOM 828 C GLU A 57 -10.163 1.617 -4.653 1.00 0.00 C ATOM 829 O GLU A 57 -9.486 1.918 -5.637 1.00 0.00 O ATOM 830 CB GLU A 57 -12.011 -0.036 -4.539 1.00 0.00 C ATOM 831 CG GLU A 57 -12.460 -1.482 -4.413 1.00 0.00 C ATOM 832 CD GLU A 57 -12.112 -2.313 -5.636 1.00 0.00 C ATOM 833 OE1 GLU A 57 -11.750 -1.719 -6.673 1.00 0.00 O ATOM 834 OE2 GLU A 57 -12.203 -3.556 -5.553 1.00 0.00 O ATOM 0 H GLU A 57 -10.679 -0.972 -2.589 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.972 -0.472 -5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.538 0.564 -3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.303 0.341 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.996 -1.927 -3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.538 -1.511 -4.254 1.00 0.00 H new ATOM 841 N ILE A 58 -10.623 2.515 -3.789 1.00 0.00 N ATOM 842 CA ILE A 58 -10.356 3.940 -3.946 1.00 0.00 C ATOM 843 C ILE A 58 -8.852 4.204 -4.002 1.00 0.00 C ATOM 844 O ILE A 58 -8.380 5.004 -4.810 1.00 0.00 O ATOM 845 CB ILE A 58 -10.980 4.744 -2.787 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.489 4.496 -2.730 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.688 6.231 -2.934 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.208 4.844 -4.016 1.00 0.00 C ATOM 0 H ILE A 58 -11.184 2.280 -2.970 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.808 4.263 -4.884 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.531 4.406 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.668 3.447 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.915 5.082 -1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.139 6.774 -2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.610 6.392 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -11.105 6.593 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.273 4.643 -3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.060 5.900 -4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.809 4.240 -4.831 1.00 0.00 H new ATOM 860 N LEU A 59 -8.116 3.514 -3.134 1.00 0.00 N ATOM 861 CA LEU A 59 -6.663 3.637 -3.048 1.00 0.00 C ATOM 862 C LEU A 59 -6.029 3.824 -4.424 1.00 0.00 C ATOM 863 O LEU A 59 -5.052 4.559 -4.579 1.00 0.00 O ATOM 864 CB LEU A 59 -6.088 2.381 -2.394 1.00 0.00 C ATOM 865 CG LEU A 59 -5.748 1.246 -3.368 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.324 1.393 -3.873 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.938 -0.106 -2.713 1.00 0.00 C ATOM 0 H LEU A 59 -8.512 2.851 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.434 4.519 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.185 2.654 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.804 2.010 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.430 1.311 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.097 0.580 -4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.217 2.347 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.634 1.357 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.690 -0.893 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.285 -0.184 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.976 -0.215 -2.398 1.00 0.00 H new ATOM 879 N ASN A 60 -6.587 3.135 -5.409 1.00 0.00 N ATOM 880 CA ASN A 60 -6.085 3.189 -6.777 1.00 0.00 C ATOM 881 C ASN A 60 -5.810 4.621 -7.225 1.00 0.00 C ATOM 882 O ASN A 60 -4.960 4.858 -8.082 1.00 0.00 O ATOM 883 CB ASN A 60 -7.085 2.530 -7.720 1.00 0.00 C ATOM 884 CG ASN A 60 -6.479 2.208 -9.070 1.00 0.00 C ATOM 885 OD1 ASN A 60 -5.528 2.857 -9.504 1.00 0.00 O ATOM 886 ND2 ASN A 60 -7.026 1.201 -9.737 1.00 0.00 N ATOM 0 H ASN A 60 -7.396 2.526 -5.285 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.139 2.648 -6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.460 1.613 -7.265 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.941 3.191 -7.857 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.659 0.935 -10.651 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.814 0.692 -9.336 1.00 0.00 H new ATOM 893 N LEU A 61 -6.536 5.573 -6.650 1.00 0.00 N ATOM 894 CA LEU A 61 -6.363 6.974 -7.007 1.00 0.00 C ATOM 895 C LEU A 61 -6.066 7.830 -5.777 1.00 0.00 C ATOM 896 O LEU A 61 -6.769 8.805 -5.516 1.00 0.00 O ATOM 897 CB LEU A 61 -7.617 7.493 -7.713 1.00 0.00 C ATOM 898 CG LEU A 61 -8.144 6.596 -8.840 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.623 6.291 -8.644 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.907 7.248 -10.194 1.00 0.00 C ATOM 0 H LEU A 61 -7.246 5.401 -5.938 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.510 7.046 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.406 7.621 -6.972 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.402 8.479 -8.124 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.597 5.654 -8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.974 5.654 -9.456 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.766 5.779 -7.693 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.190 7.222 -8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.287 6.598 -10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.425 8.206 -10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.839 7.408 -10.339 1.00 0.00 H new ATOM 912 N LEU A 62 -5.025 7.449 -5.023 1.00 0.00 N ATOM 913 CA LEU A 62 -4.628 8.171 -3.806 1.00 0.00 C ATOM 914 C LEU A 62 -4.985 9.656 -3.880 1.00 0.00 C ATOM 915 O LEU A 62 -4.196 10.475 -4.349 1.00 0.00 O ATOM 916 CB LEU A 62 -3.123 8.005 -3.563 1.00 0.00 C ATOM 917 CG LEU A 62 -2.681 6.605 -3.135 1.00 0.00 C ATOM 918 CD1 LEU A 62 -1.331 6.264 -3.744 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.625 6.492 -1.618 1.00 0.00 C ATOM 0 H LEU A 62 -4.440 6.641 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.183 7.740 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.592 8.272 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.815 8.716 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.418 5.890 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.032 5.264 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.404 6.295 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.588 6.988 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.308 5.487 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.914 7.219 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.613 6.689 -1.202 1.00 0.00 H new ATOM 931 N ASP A 63 -6.191 9.987 -3.420 1.00 0.00 N ATOM 932 CA ASP A 63 -6.673 11.364 -3.439 1.00 0.00 C ATOM 933 C ASP A 63 -6.698 11.958 -2.036 1.00 0.00 C ATOM 934 O ASP A 63 -6.450 11.266 -1.054 1.00 0.00 O ATOM 935 CB ASP A 63 -8.072 11.419 -4.064 1.00 0.00 C ATOM 936 CG ASP A 63 -8.095 12.172 -5.380 1.00 0.00 C ATOM 937 OD1 ASP A 63 -7.006 12.458 -5.923 1.00 0.00 O ATOM 938 OD2 ASP A 63 -9.203 12.477 -5.870 1.00 0.00 O ATOM 0 H ASP A 63 -6.853 9.317 -3.029 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.987 11.958 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.434 10.404 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.759 11.896 -3.365 1.00 0.00 H new ATOM 943 N THR A 64 -7.002 13.250 -1.950 1.00 0.00 N ATOM 944 CA THR A 64 -7.053 13.923 -0.661 1.00 0.00 C ATOM 945 C THR A 64 -8.298 13.513 0.114 1.00 0.00 C ATOM 946 O THR A 64 -8.200 13.066 1.249 1.00 0.00 O ATOM 947 CB THR A 64 -7.025 15.442 -0.838 1.00 0.00 C ATOM 948 OG1 THR A 64 -6.327 15.803 -2.019 1.00 0.00 O ATOM 949 CG2 THR A 64 -6.379 16.164 0.327 1.00 0.00 C ATOM 0 H THR A 64 -7.215 13.845 -2.751 1.00 0.00 H new ATOM 0 HA THR A 64 -6.173 13.622 -0.093 1.00 0.00 H new ATOM 0 HB THR A 64 -8.070 15.746 -0.898 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.324 16.779 -2.112 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.390 17.238 0.141 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.933 15.948 1.241 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.349 15.826 0.439 1.00 0.00 H new ATOM 957 N PRO A 65 -9.491 13.655 -0.483 1.00 0.00 N ATOM 958 CA PRO A 65 -10.732 13.283 0.187 1.00 0.00 C ATOM 959 C PRO A 65 -10.949 11.775 0.218 1.00 0.00 C ATOM 960 O PRO A 65 -10.974 11.169 1.286 1.00 0.00 O ATOM 961 CB PRO A 65 -11.813 13.967 -0.649 1.00 0.00 C ATOM 962 CG PRO A 65 -11.221 14.136 -2.009 1.00 0.00 C ATOM 963 CD PRO A 65 -9.722 14.183 -1.842 1.00 0.00 C ATOM 0 HA PRO A 65 -10.733 13.588 1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.719 13.363 -0.688 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.090 14.930 -0.220 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.510 13.310 -2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -11.585 15.051 -2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.218 13.577 -2.595 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.342 15.199 -1.944 1.00 0.00 H new ATOM 971 N GLY A 66 -11.114 11.175 -0.958 1.00 0.00 N ATOM 972 CA GLY A 66 -11.347 9.744 -1.045 1.00 0.00 C ATOM 973 C GLY A 66 -10.424 8.936 -0.158 1.00 0.00 C ATOM 974 O GLY A 66 -10.882 8.201 0.715 1.00 0.00 O ATOM 0 H GLY A 66 -11.090 11.658 -1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.381 9.533 -0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.220 9.424 -2.079 1.00 0.00 H new ATOM 978 N LEU A 67 -9.124 9.062 -0.382 1.00 0.00 N ATOM 979 CA LEU A 67 -8.150 8.329 0.404 1.00 0.00 C ATOM 980 C LEU A 67 -8.287 8.640 1.889 1.00 0.00 C ATOM 981 O LEU A 67 -8.706 7.791 2.674 1.00 0.00 O ATOM 982 CB LEU A 67 -6.747 8.675 -0.084 1.00 0.00 C ATOM 983 CG LEU A 67 -5.922 7.486 -0.563 1.00 0.00 C ATOM 984 CD1 LEU A 67 -5.433 6.661 0.616 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.740 6.633 -1.518 1.00 0.00 C ATOM 0 H LEU A 67 -8.723 9.664 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.331 7.262 0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.829 9.394 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.209 9.170 0.724 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.048 7.860 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.846 5.818 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.813 7.282 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.289 6.291 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.141 5.787 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.631 6.267 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.036 7.232 -2.379 1.00 0.00 H new ATOM 997 N LEU A 68 -7.916 9.857 2.271 1.00 0.00 N ATOM 998 CA LEU A 68 -7.977 10.272 3.676 1.00 0.00 C ATOM 999 C LEU A 68 -9.292 9.859 4.342 1.00 0.00 C ATOM 1000 O LEU A 68 -9.279 9.293 5.434 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.769 11.782 3.803 1.00 0.00 C ATOM 1002 CG LEU A 68 -6.411 12.201 4.374 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -5.284 11.774 3.443 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -6.372 13.706 4.609 1.00 0.00 C ATOM 0 H LEU A 68 -7.570 10.574 1.633 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.170 9.757 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.888 12.234 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.555 12.190 4.438 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.271 11.700 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.327 12.080 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.299 10.690 3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.418 12.245 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.400 13.986 5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.534 14.226 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.154 13.984 5.316 1.00 0.00 H new ATOM 1016 N ASP A 69 -10.424 10.137 3.695 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.723 9.777 4.267 1.00 0.00 C ATOM 1018 C ASP A 69 -11.792 8.279 4.545 1.00 0.00 C ATOM 1019 O ASP A 69 -11.952 7.856 5.687 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.866 10.181 3.325 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.656 11.372 3.835 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -13.258 11.957 4.865 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.678 11.719 3.205 1.00 0.00 O ATOM 0 H ASP A 69 -10.470 10.603 2.789 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.834 10.318 5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.455 10.417 2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.539 9.334 3.194 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.661 7.479 3.493 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.703 6.023 3.624 1.00 0.00 C ATOM 1030 C ALA A 70 -10.486 5.492 4.380 1.00 0.00 C ATOM 1031 O ALA A 70 -10.415 4.306 4.699 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.789 5.376 2.250 1.00 0.00 C ATOM 0 H ALA A 70 -11.525 7.812 2.539 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.592 5.765 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.820 4.292 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.693 5.715 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.916 5.656 1.660 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.527 6.371 4.657 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.316 5.988 5.363 1.00 0.00 C ATOM 1040 C LYS A 71 -8.517 5.985 6.872 1.00 0.00 C ATOM 1041 O LYS A 71 -8.280 4.977 7.540 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.200 6.957 5.003 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.408 6.537 3.785 1.00 0.00 C ATOM 1044 CD LYS A 71 -5.017 7.130 3.816 1.00 0.00 C ATOM 1045 CE LYS A 71 -5.008 8.584 3.364 1.00 0.00 C ATOM 1046 NZ LYS A 71 -3.948 8.847 2.352 1.00 0.00 N ATOM 0 H LYS A 71 -9.569 7.357 4.400 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.055 4.974 5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.629 7.943 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.523 7.051 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.343 5.450 3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.925 6.859 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.616 7.062 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.359 6.546 3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.981 8.839 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.853 9.231 4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.115 9.256 2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.682 7.955 1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.306 9.514 1.639 1.00 0.00 H new ATOM 1060 N VAL A 72 -8.958 7.117 7.408 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.191 7.235 8.839 1.00 0.00 C ATOM 1062 C VAL A 72 -10.412 6.427 9.246 1.00 0.00 C ATOM 1063 O VAL A 72 -10.394 5.732 10.258 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.374 8.702 9.273 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.053 9.450 9.177 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.447 9.389 8.437 1.00 0.00 C ATOM 0 H VAL A 72 -9.160 7.962 6.874 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.308 6.842 9.342 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.703 8.713 10.312 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.198 10.485 9.487 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.318 8.976 9.828 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.695 9.426 8.148 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.556 10.423 8.764 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.158 9.369 7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.396 8.867 8.562 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.470 6.519 8.449 1.00 0.00 N ATOM 1077 CA GLN A 73 -12.700 5.794 8.722 1.00 0.00 C ATOM 1078 C GLN A 73 -12.447 4.289 8.767 1.00 0.00 C ATOM 1079 O GLN A 73 -12.790 3.621 9.743 1.00 0.00 O ATOM 1080 CB GLN A 73 -13.746 6.121 7.656 1.00 0.00 C ATOM 1081 CG GLN A 73 -13.946 7.612 7.437 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.952 8.216 8.396 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -16.162 8.126 8.184 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -14.454 8.838 9.459 1.00 0.00 N ATOM 0 H GLN A 73 -11.498 7.092 7.605 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.074 6.105 9.697 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.449 5.661 6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.698 5.674 7.943 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.990 8.123 7.551 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.279 7.783 6.413 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.444 8.888 9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.081 9.266 10.140 1.00 0.00 H new ATOM 1093 N GLU A 74 -11.844 3.762 7.705 1.00 0.00 N ATOM 1094 CA GLU A 74 -11.543 2.336 7.626 1.00 0.00 C ATOM 1095 C GLU A 74 -10.611 1.910 8.759 1.00 0.00 C ATOM 1096 O GLU A 74 -10.726 0.805 9.287 1.00 0.00 O ATOM 1097 CB GLU A 74 -10.912 1.999 6.272 1.00 0.00 C ATOM 1098 CG GLU A 74 -10.468 0.550 6.145 1.00 0.00 C ATOM 1099 CD GLU A 74 -9.072 0.317 6.687 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -8.389 1.310 7.016 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -8.659 -0.859 6.783 1.00 0.00 O ATOM 0 H GLU A 74 -11.555 4.300 6.888 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.479 1.787 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.630 2.220 5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.051 2.648 6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.172 -0.089 6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.500 0.255 5.096 1.00 0.00 H new ATOM 1108 N ALA A 75 -9.684 2.794 9.121 1.00 0.00 N ATOM 1109 CA ALA A 75 -8.728 2.510 10.186 1.00 0.00 C ATOM 1110 C ALA A 75 -9.358 2.686 11.565 1.00 0.00 C ATOM 1111 O ALA A 75 -9.014 1.979 12.515 1.00 0.00 O ATOM 1112 CB ALA A 75 -7.509 3.409 10.046 1.00 0.00 C ATOM 0 H ALA A 75 -9.575 3.713 8.692 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.420 1.469 10.092 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.801 3.190 10.845 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.034 3.230 9.081 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.817 4.453 10.111 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.287 3.628 11.672 1.00 0.00 N ATOM 1119 CA LEU A 76 -10.961 3.881 12.939 1.00 0.00 C ATOM 1120 C LEU A 76 -12.081 2.869 13.149 1.00 0.00 C ATOM 1121 O LEU A 76 -12.367 2.468 14.277 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.524 5.306 12.974 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.695 6.315 13.769 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.360 7.684 13.751 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.494 5.841 15.201 1.00 0.00 C ATOM 0 H LEU A 76 -10.589 4.225 10.903 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.234 3.776 13.744 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.621 5.666 11.950 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.528 5.272 13.396 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.716 6.398 13.296 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.756 8.389 14.322 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.449 8.032 12.722 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.352 7.612 14.197 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.901 6.575 15.747 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.464 5.724 15.685 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.973 4.884 15.198 1.00 0.00 H new ATOM 1137 N GLU A 77 -12.709 2.462 12.051 1.00 0.00 N ATOM 1138 CA GLU A 77 -13.796 1.496 12.105 1.00 0.00 C ATOM 1139 C GLU A 77 -13.276 0.107 12.462 1.00 0.00 C ATOM 1140 O GLU A 77 -13.890 -0.611 13.253 1.00 0.00 O ATOM 1141 CB GLU A 77 -14.532 1.449 10.765 1.00 0.00 C ATOM 1142 CG GLU A 77 -15.726 0.509 10.763 1.00 0.00 C ATOM 1143 CD GLU A 77 -16.371 0.391 9.398 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -17.058 1.346 8.979 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -16.188 -0.659 8.744 1.00 0.00 O ATOM 0 H GLU A 77 -12.482 2.788 11.112 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.491 1.814 12.883 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.870 2.453 10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.834 1.139 9.987 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.407 -0.478 11.097 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.465 0.865 11.481 1.00 0.00 H new ATOM 1152 N VAL A 78 -12.141 -0.272 11.876 1.00 0.00 N ATOM 1153 CA VAL A 78 -11.547 -1.578 12.139 1.00 0.00 C ATOM 1154 C VAL A 78 -11.317 -1.779 13.635 1.00 0.00 C ATOM 1155 O VAL A 78 -11.539 -2.868 14.162 1.00 0.00 O ATOM 1156 CB VAL A 78 -10.218 -1.766 11.380 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -9.243 -0.661 11.733 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -9.618 -3.134 11.668 1.00 0.00 C ATOM 0 H VAL A 78 -11.617 0.306 11.219 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.253 -2.327 11.780 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.424 -1.710 10.311 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.311 -0.810 11.188 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.672 0.303 11.461 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.044 -0.680 12.804 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.681 -3.243 11.121 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.428 -3.230 12.737 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.315 -3.911 11.352 1.00 0.00 H new