USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=6 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= -8.37! C(o=-11!,f=-5.3!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -170:sc= -2.29 (180deg=-0.393) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.73! K(o=-2.7!,f=-1) USER MOD Single : A 34 HIS : no HD1:sc= -15.7! C(o=-16!,f=-14!) USER MOD Single : A 39 ASN : amide:sc= -4.99 K(o=-5,f=-0.44) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 98:sc= 0.298 USER MOD Single : A 49 MET CE :methyl -122:sc= -0.16 (180deg=-0.911) USER MOD Single : A 53 MET CE :methyl -142:sc= -0.101 (180deg=-0.453) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.036) USER MOD Single : A 64 THR OG1 : rot 180:sc=0.000862 USER MOD Single : A 73 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 6.820 1.537 -0.296 1.00 0.00 N ATOM 363 CA VAL A 26 6.792 2.989 -0.152 1.00 0.00 C ATOM 364 C VAL A 26 5.393 3.463 0.233 1.00 0.00 C ATOM 365 O VAL A 26 5.234 4.318 1.105 1.00 0.00 O ATOM 366 CB VAL A 26 7.255 3.695 -1.451 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.124 3.824 -2.464 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.849 5.058 -1.132 1.00 0.00 C ATOM 0 HA VAL A 26 7.488 3.255 0.644 1.00 0.00 H new ATOM 0 HB VAL A 26 8.026 3.073 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.493 4.325 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.757 2.832 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.312 4.408 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.169 5.540 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.098 5.676 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.707 4.935 -0.470 1.00 0.00 H new ATOM 378 N LEU A 27 4.383 2.893 -0.422 1.00 0.00 N ATOM 379 CA LEU A 27 2.993 3.242 -0.154 1.00 0.00 C ATOM 380 C LEU A 27 2.717 3.287 1.345 1.00 0.00 C ATOM 381 O LEU A 27 2.212 4.282 1.857 1.00 0.00 O ATOM 382 CB LEU A 27 2.068 2.216 -0.815 1.00 0.00 C ATOM 383 CG LEU A 27 1.252 2.742 -1.997 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.283 1.747 -3.150 1.00 0.00 C ATOM 385 CD2 LEU A 27 -0.180 3.026 -1.568 1.00 0.00 C ATOM 0 H LEU A 27 4.505 2.184 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 27 2.803 4.232 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.670 1.374 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.380 1.832 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 27 1.698 3.676 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.698 2.137 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.313 1.594 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.860 0.797 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.748 3.400 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.639 2.108 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.181 3.774 -0.775 1.00 0.00 H new ATOM 397 N GLY A 28 3.053 2.202 2.039 1.00 0.00 N ATOM 398 CA GLY A 28 2.830 2.133 3.472 1.00 0.00 C ATOM 399 C GLY A 28 3.594 3.193 4.242 1.00 0.00 C ATOM 400 O GLY A 28 3.022 3.889 5.080 1.00 0.00 O ATOM 0 H GLY A 28 3.477 1.368 1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.764 2.242 3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.124 1.147 3.833 1.00 0.00 H new ATOM 404 N GLU A 29 4.887 3.324 3.964 1.00 0.00 N ATOM 405 CA GLU A 29 5.710 4.315 4.647 1.00 0.00 C ATOM 406 C GLU A 29 5.114 5.710 4.474 1.00 0.00 C ATOM 407 O GLU A 29 4.843 6.406 5.453 1.00 0.00 O ATOM 408 CB GLU A 29 7.143 4.280 4.113 1.00 0.00 C ATOM 409 CG GLU A 29 8.017 3.236 4.788 1.00 0.00 C ATOM 410 CD GLU A 29 8.908 3.829 5.865 1.00 0.00 C ATOM 411 OE1 GLU A 29 8.383 4.554 6.737 1.00 0.00 O ATOM 412 OE2 GLU A 29 10.129 3.568 5.835 1.00 0.00 O ATOM 0 H GLU A 29 5.385 2.760 3.275 1.00 0.00 H new ATOM 0 HA GLU A 29 5.731 4.074 5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.118 4.083 3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.596 5.262 4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.383 2.467 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.637 2.746 4.037 1.00 0.00 H new ATOM 419 N ARG A 30 4.906 6.104 3.224 1.00 0.00 N ATOM 420 CA ARG A 30 4.334 7.412 2.917 1.00 0.00 C ATOM 421 C ARG A 30 2.879 7.494 3.374 1.00 0.00 C ATOM 422 O ARG A 30 2.337 8.586 3.553 1.00 0.00 O ATOM 423 CB ARG A 30 4.421 7.689 1.417 1.00 0.00 C ATOM 424 CG ARG A 30 5.846 7.777 0.895 1.00 0.00 C ATOM 425 CD ARG A 30 6.236 9.214 0.585 1.00 0.00 C ATOM 426 NE ARG A 30 7.629 9.489 0.923 1.00 0.00 N ATOM 427 CZ ARG A 30 8.667 8.896 0.337 1.00 0.00 C ATOM 428 NH1 ARG A 30 8.476 8.015 -0.637 1.00 0.00 N ATOM 429 NH2 ARG A 30 9.900 9.194 0.718 1.00 0.00 N ATOM 0 H ARG A 30 5.125 5.537 2.405 1.00 0.00 H new ATOM 0 HA ARG A 30 4.909 8.165 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.894 6.900 0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.905 8.624 1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.532 7.364 1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.944 7.170 -0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.074 9.413 -0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.588 9.893 1.139 1.00 0.00 H new ATOM 0 HE ARG A 30 7.819 10.177 1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.529 7.788 -0.941 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.276 7.565 -1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.054 9.877 1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.696 8.740 0.270 1.00 0.00 H new ATOM 443 N LEU A 31 2.247 6.336 3.557 1.00 0.00 N ATOM 444 CA LEU A 31 0.860 6.280 3.988 1.00 0.00 C ATOM 445 C LEU A 31 0.725 6.733 5.438 1.00 0.00 C ATOM 446 O LEU A 31 0.024 7.697 5.742 1.00 0.00 O ATOM 447 CB LEU A 31 0.334 4.853 3.839 1.00 0.00 C ATOM 448 CG LEU A 31 -0.880 4.698 2.929 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.502 3.968 1.649 1.00 0.00 C ATOM 450 CD2 LEU A 31 -2.000 3.968 3.655 1.00 0.00 C ATOM 0 H LEU A 31 2.679 5.424 3.412 1.00 0.00 H new ATOM 0 HA LEU A 31 0.274 6.953 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.138 4.225 3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.077 4.473 4.828 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.237 5.692 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.382 3.868 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.265 4.534 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.117 2.978 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.858 3.866 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.655 2.979 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.291 4.535 4.539 1.00 0.00 H new ATOM 462 N TYR A 32 1.408 6.020 6.323 1.00 0.00 N ATOM 463 CA TYR A 32 1.386 6.317 7.751 1.00 0.00 C ATOM 464 C TYR A 32 1.638 7.799 8.012 1.00 0.00 C ATOM 465 O TYR A 32 1.106 8.363 8.959 1.00 0.00 O ATOM 466 CB TYR A 32 2.451 5.468 8.454 1.00 0.00 C ATOM 467 CG TYR A 32 2.265 5.320 9.949 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.736 6.287 10.827 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.627 4.205 10.482 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.581 6.147 12.194 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.466 4.059 11.846 1.00 0.00 C ATOM 472 CZ TYR A 32 1.945 5.033 12.698 1.00 0.00 C ATOM 473 OH TYR A 32 1.787 4.891 14.058 1.00 0.00 O ATOM 0 H TYR A 32 1.992 5.222 6.074 1.00 0.00 H new ATOM 0 HA TYR A 32 0.399 6.076 8.145 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.459 4.475 8.004 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.429 5.911 8.267 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.232 7.163 10.436 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.251 3.440 9.818 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.956 6.907 12.863 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.968 3.187 12.244 1.00 0.00 H new ATOM 0 HH TYR A 32 1.318 4.052 14.247 1.00 0.00 H new ATOM 483 N ASN A 33 2.459 8.417 7.173 1.00 0.00 N ATOM 484 CA ASN A 33 2.790 9.833 7.323 1.00 0.00 C ATOM 485 C ASN A 33 1.591 10.721 7.041 1.00 0.00 C ATOM 486 O ASN A 33 1.385 11.732 7.712 1.00 0.00 O ATOM 487 CB ASN A 33 3.936 10.204 6.378 1.00 0.00 C ATOM 488 CG ASN A 33 4.196 11.700 6.323 1.00 0.00 C ATOM 489 OD1 ASN A 33 5.221 12.177 6.807 1.00 0.00 O ATOM 490 ND2 ASN A 33 3.264 12.449 5.735 1.00 0.00 N ATOM 0 H ASN A 33 2.910 7.961 6.380 1.00 0.00 H new ATOM 0 HA ASN A 33 3.095 9.995 8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.844 9.694 6.699 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.705 9.843 5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.386 13.460 5.673 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.428 12.012 5.347 1.00 0.00 H new ATOM 497 N HIS A 34 0.817 10.362 6.035 1.00 0.00 N ATOM 498 CA HIS A 34 -0.335 11.160 5.676 1.00 0.00 C ATOM 499 C HIS A 34 -1.335 11.186 6.820 1.00 0.00 C ATOM 500 O HIS A 34 -1.974 12.198 7.086 1.00 0.00 O ATOM 501 CB HIS A 34 -0.993 10.615 4.400 1.00 0.00 C ATOM 502 CG HIS A 34 -1.808 9.373 4.591 1.00 0.00 C ATOM 503 ND1 HIS A 34 -1.654 8.226 3.842 1.00 0.00 N ATOM 504 CD2 HIS A 34 -2.805 9.116 5.456 1.00 0.00 C ATOM 505 CE1 HIS A 34 -2.533 7.320 4.250 1.00 0.00 C ATOM 506 NE2 HIS A 34 -3.242 7.842 5.226 1.00 0.00 N ATOM 0 H HIS A 34 0.963 9.533 5.459 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.002 12.180 5.481 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.633 11.391 3.979 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.214 10.411 3.666 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.192 9.796 6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.647 6.324 3.849 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.995 7.373 5.729 1.00 0.00 H new ATOM 515 N ILE A 35 -1.494 10.035 7.448 1.00 0.00 N ATOM 516 CA ILE A 35 -2.448 9.860 8.543 1.00 0.00 C ATOM 517 C ILE A 35 -1.822 9.978 9.942 1.00 0.00 C ATOM 518 O ILE A 35 -2.537 10.223 10.912 1.00 0.00 O ATOM 519 CB ILE A 35 -3.185 8.505 8.415 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.014 8.202 9.666 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.201 7.379 8.138 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.271 7.412 9.373 1.00 0.00 C ATOM 0 H ILE A 35 -0.968 9.192 7.218 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.155 10.684 8.447 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.870 8.579 7.570 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.400 7.646 10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.287 9.140 10.149 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.742 6.436 8.052 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.671 7.580 7.207 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.484 7.313 8.956 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.812 7.231 10.302 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.904 7.976 8.688 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.004 6.459 8.917 1.00 0.00 H new ATOM 534 N VAL A 36 -0.511 9.781 10.069 1.00 0.00 N ATOM 535 CA VAL A 36 0.121 9.858 11.390 1.00 0.00 C ATOM 536 C VAL A 36 -0.168 11.195 12.058 1.00 0.00 C ATOM 537 O VAL A 36 -0.600 11.242 13.210 1.00 0.00 O ATOM 538 CB VAL A 36 1.653 9.638 11.348 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.338 10.706 10.515 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.220 9.616 12.761 1.00 0.00 C ATOM 0 H VAL A 36 0.123 9.572 9.297 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.317 9.046 11.971 1.00 0.00 H new ATOM 0 HB VAL A 36 1.845 8.674 10.877 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.413 10.525 10.504 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.954 10.674 9.495 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.140 11.687 10.947 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.298 9.461 12.718 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.010 10.566 13.252 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.759 8.806 13.326 1.00 0.00 H new ATOM 550 N ALA A 37 0.066 12.280 11.332 1.00 0.00 N ATOM 551 CA ALA A 37 -0.176 13.613 11.857 1.00 0.00 C ATOM 552 C ALA A 37 -1.669 13.907 11.919 1.00 0.00 C ATOM 553 O ALA A 37 -2.126 14.684 12.758 1.00 0.00 O ATOM 554 CB ALA A 37 0.535 14.654 11.002 1.00 0.00 C ATOM 0 H ALA A 37 0.424 12.261 10.377 1.00 0.00 H new ATOM 0 HA ALA A 37 0.223 13.660 12.870 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.345 15.648 11.407 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.607 14.459 11.008 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.162 14.601 9.979 1.00 0.00 H new ATOM 560 N ILE A 38 -2.423 13.288 11.017 1.00 0.00 N ATOM 561 CA ILE A 38 -3.870 13.495 10.965 1.00 0.00 C ATOM 562 C ILE A 38 -4.613 12.620 11.978 1.00 0.00 C ATOM 563 O ILE A 38 -5.156 13.127 12.960 1.00 0.00 O ATOM 564 CB ILE A 38 -4.425 13.232 9.553 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.502 13.849 8.503 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.832 13.794 9.422 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.363 15.347 8.624 1.00 0.00 C ATOM 0 H ILE A 38 -2.061 12.642 10.315 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.040 14.540 11.225 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.470 12.155 9.389 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.515 13.393 8.586 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.882 13.607 7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.209 13.600 8.418 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.484 13.317 10.154 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.812 14.869 9.600 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.693 15.714 7.846 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.342 15.814 8.510 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.954 15.597 9.603 1.00 0.00 H new ATOM 579 N ASN A 39 -4.622 11.309 11.746 1.00 0.00 N ATOM 580 CA ASN A 39 -5.286 10.375 12.658 1.00 0.00 C ATOM 581 C ASN A 39 -4.314 9.311 13.151 1.00 0.00 C ATOM 582 O ASN A 39 -4.242 8.214 12.597 1.00 0.00 O ATOM 583 CB ASN A 39 -6.498 9.719 11.990 1.00 0.00 C ATOM 584 CG ASN A 39 -7.710 9.692 12.904 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.255 10.737 13.260 1.00 0.00 O ATOM 586 ND2 ASN A 39 -8.138 8.495 13.292 1.00 0.00 N ATOM 0 H ASN A 39 -4.180 10.869 10.939 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.637 10.947 13.517 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.745 10.261 11.077 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.243 8.701 11.697 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.947 8.418 13.908 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.657 7.654 12.974 1.00 0.00 H new ATOM 593 N PRO A 40 -3.548 9.629 14.208 1.00 0.00 N ATOM 594 CA PRO A 40 -2.570 8.702 14.785 1.00 0.00 C ATOM 595 C PRO A 40 -3.185 7.358 15.155 1.00 0.00 C ATOM 596 O PRO A 40 -2.572 6.310 14.959 1.00 0.00 O ATOM 597 CB PRO A 40 -2.093 9.424 16.045 1.00 0.00 C ATOM 598 CG PRO A 40 -2.340 10.867 15.776 1.00 0.00 C ATOM 599 CD PRO A 40 -3.574 10.921 14.921 1.00 0.00 C ATOM 0 HA PRO A 40 -1.774 8.468 14.078 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.641 9.087 16.925 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.037 9.232 16.234 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.484 11.418 16.705 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.491 11.320 15.265 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.476 11.031 15.523 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.548 11.763 14.229 1.00 0.00 H new ATOM 607 N ALA A 41 -4.398 7.394 15.700 1.00 0.00 N ATOM 608 CA ALA A 41 -5.090 6.176 16.106 1.00 0.00 C ATOM 609 C ALA A 41 -5.757 5.484 14.918 1.00 0.00 C ATOM 610 O ALA A 41 -6.897 5.028 15.014 1.00 0.00 O ATOM 611 CB ALA A 41 -6.119 6.490 17.183 1.00 0.00 C ATOM 0 H ALA A 41 -4.921 8.253 15.870 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.346 5.490 16.512 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.629 5.573 17.478 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.618 6.921 18.050 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.848 7.201 16.794 1.00 0.00 H new ATOM 617 N ALA A 42 -5.039 5.398 13.802 1.00 0.00 N ATOM 618 CA ALA A 42 -5.558 4.752 12.608 1.00 0.00 C ATOM 619 C ALA A 42 -4.421 4.341 11.684 1.00 0.00 C ATOM 620 O ALA A 42 -4.435 3.246 11.128 1.00 0.00 O ATOM 621 CB ALA A 42 -6.531 5.664 11.882 1.00 0.00 C ATOM 0 H ALA A 42 -4.094 5.770 13.703 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.095 3.854 12.914 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.907 5.160 10.992 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.365 5.905 12.541 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.021 6.582 11.591 1.00 0.00 H new ATOM 627 N ALA A 43 -3.440 5.232 11.525 1.00 0.00 N ATOM 628 CA ALA A 43 -2.283 4.970 10.668 1.00 0.00 C ATOM 629 C ALA A 43 -1.868 3.507 10.736 1.00 0.00 C ATOM 630 O ALA A 43 -1.760 2.832 9.714 1.00 0.00 O ATOM 631 CB ALA A 43 -1.120 5.864 11.069 1.00 0.00 C ATOM 0 H ALA A 43 -3.425 6.144 11.981 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.567 5.193 9.640 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.265 5.660 10.424 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.412 6.909 10.965 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.848 5.665 12.106 1.00 0.00 H new ATOM 637 N ALA A 44 -1.626 3.022 11.949 1.00 0.00 N ATOM 638 CA ALA A 44 -1.217 1.638 12.152 1.00 0.00 C ATOM 639 C ALA A 44 -2.147 0.666 11.432 1.00 0.00 C ATOM 640 O ALA A 44 -1.699 -0.331 10.871 1.00 0.00 O ATOM 641 CB ALA A 44 -1.155 1.320 13.640 1.00 0.00 C ATOM 0 H ALA A 44 -1.706 3.568 12.807 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.222 1.516 11.723 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.848 0.283 13.778 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.434 1.979 14.123 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.139 1.470 14.085 1.00 0.00 H new ATOM 647 N LYS A 45 -3.436 0.970 11.453 1.00 0.00 N ATOM 648 CA LYS A 45 -4.426 0.127 10.799 1.00 0.00 C ATOM 649 C LYS A 45 -4.529 0.462 9.320 1.00 0.00 C ATOM 650 O LYS A 45 -4.538 -0.424 8.468 1.00 0.00 O ATOM 651 CB LYS A 45 -5.790 0.302 11.463 1.00 0.00 C ATOM 652 CG LYS A 45 -5.789 -0.028 12.944 1.00 0.00 C ATOM 653 CD LYS A 45 -6.518 -1.329 13.221 1.00 0.00 C ATOM 654 CE LYS A 45 -6.835 -1.484 14.696 1.00 0.00 C ATOM 655 NZ LYS A 45 -7.551 -2.758 14.979 1.00 0.00 N ATOM 0 H LYS A 45 -3.821 1.794 11.915 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.107 -0.910 10.900 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.121 1.332 11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.516 -0.335 10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.762 -0.101 13.301 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.263 0.782 13.499 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.442 -1.360 12.644 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.907 -2.168 12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.910 -1.452 15.271 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.445 -0.643 15.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.749 -2.826 15.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.446 -2.778 14.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.958 -3.561 14.687 1.00 0.00 H new ATOM 669 N VAL A 46 -4.601 1.751 9.023 1.00 0.00 N ATOM 670 CA VAL A 46 -4.702 2.213 7.648 1.00 0.00 C ATOM 671 C VAL A 46 -3.490 1.785 6.832 1.00 0.00 C ATOM 672 O VAL A 46 -3.630 1.229 5.748 1.00 0.00 O ATOM 673 CB VAL A 46 -4.829 3.741 7.590 1.00 0.00 C ATOM 674 CG1 VAL A 46 -5.082 4.204 6.166 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.933 4.212 8.522 1.00 0.00 C ATOM 0 H VAL A 46 -4.591 2.497 9.719 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.597 1.759 7.223 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.890 4.183 7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.169 5.290 6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.252 3.895 5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.007 3.759 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.013 5.298 8.472 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.880 3.764 8.220 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.699 3.912 9.544 1.00 0.00 H new ATOM 685 N THR A 47 -2.304 2.059 7.358 1.00 0.00 N ATOM 686 CA THR A 47 -1.059 1.711 6.680 1.00 0.00 C ATOM 687 C THR A 47 -0.952 0.208 6.444 1.00 0.00 C ATOM 688 O THR A 47 -0.695 -0.241 5.328 1.00 0.00 O ATOM 689 CB THR A 47 0.140 2.186 7.505 1.00 0.00 C ATOM 690 OG1 THR A 47 -0.079 3.496 8.008 1.00 0.00 O ATOM 691 CG2 THR A 47 1.436 2.199 6.723 1.00 0.00 C ATOM 0 H THR A 47 -2.176 2.524 8.257 1.00 0.00 H new ATOM 0 HA THR A 47 -1.059 2.210 5.711 1.00 0.00 H new ATOM 0 HB THR A 47 0.234 1.466 8.318 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.402 3.442 8.932 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.245 2.545 7.366 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.658 1.192 6.370 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.339 2.869 5.869 1.00 0.00 H new ATOM 699 N GLY A 48 -1.134 -0.562 7.510 1.00 0.00 N ATOM 700 CA GLY A 48 -1.034 -2.006 7.415 1.00 0.00 C ATOM 701 C GLY A 48 -2.163 -2.613 6.620 1.00 0.00 C ATOM 702 O GLY A 48 -1.931 -3.341 5.652 1.00 0.00 O ATOM 0 H GLY A 48 -1.350 -0.210 8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.084 -2.271 6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.029 -2.433 8.418 1.00 0.00 H new ATOM 706 N MET A 49 -3.391 -2.317 7.024 1.00 0.00 N ATOM 707 CA MET A 49 -4.555 -2.847 6.330 1.00 0.00 C ATOM 708 C MET A 49 -4.674 -2.237 4.941 1.00 0.00 C ATOM 709 O MET A 49 -4.860 -2.958 3.967 1.00 0.00 O ATOM 710 CB MET A 49 -5.839 -2.586 7.123 1.00 0.00 C ATOM 711 CG MET A 49 -5.929 -3.362 8.427 1.00 0.00 C ATOM 712 SD MET A 49 -5.682 -5.135 8.201 1.00 0.00 S ATOM 713 CE MET A 49 -3.949 -5.291 8.626 1.00 0.00 C ATOM 0 H MET A 49 -3.605 -1.718 7.821 1.00 0.00 H new ATOM 0 HA MET A 49 -4.421 -3.925 6.236 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.909 -1.520 7.341 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.697 -2.841 6.500 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.182 -2.981 9.124 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.905 -3.190 8.881 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.406 -5.722 7.785 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.541 -4.307 8.856 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.845 -5.939 9.496 1.00 0.00 H new ATOM 723 N LEU A 50 -4.596 -0.900 4.880 1.00 0.00 N ATOM 724 CA LEU A 50 -4.721 -0.134 3.623 1.00 0.00 C ATOM 725 C LEU A 50 -5.400 -0.928 2.506 1.00 0.00 C ATOM 726 O LEU A 50 -6.501 -0.588 2.076 1.00 0.00 O ATOM 727 CB LEU A 50 -3.346 0.334 3.143 1.00 0.00 C ATOM 728 CG LEU A 50 -3.350 1.122 1.826 1.00 0.00 C ATOM 729 CD1 LEU A 50 -3.988 2.496 2.007 1.00 0.00 C ATOM 730 CD2 LEU A 50 -1.934 1.259 1.283 1.00 0.00 C ATOM 0 H LEU A 50 -4.444 -0.314 5.701 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.354 0.724 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.900 0.956 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.703 -0.538 3.025 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.949 0.567 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.976 3.031 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.018 2.377 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.426 3.063 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.955 1.820 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.315 1.786 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.516 0.269 1.102 1.00 0.00 H new ATOM 742 N LEU A 51 -4.735 -1.980 2.035 1.00 0.00 N ATOM 743 CA LEU A 51 -5.273 -2.810 0.967 1.00 0.00 C ATOM 744 C LEU A 51 -6.433 -3.678 1.450 1.00 0.00 C ATOM 745 O LEU A 51 -6.318 -4.902 1.521 1.00 0.00 O ATOM 746 CB LEU A 51 -4.161 -3.685 0.375 1.00 0.00 C ATOM 747 CG LEU A 51 -3.112 -2.926 -0.449 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.771 -2.896 0.271 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.962 -3.548 -1.830 1.00 0.00 C ATOM 0 H LEU A 51 -3.821 -2.276 2.379 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.663 -2.148 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.656 -4.205 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.616 -4.448 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.456 -1.899 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.045 -2.352 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.886 -2.398 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.420 -3.916 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.214 -2.996 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.647 -4.587 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.918 -3.508 -2.353 1.00 0.00 H new ATOM 761 N GLU A 52 -7.557 -3.036 1.765 1.00 0.00 N ATOM 762 CA GLU A 52 -8.745 -3.748 2.222 1.00 0.00 C ATOM 763 C GLU A 52 -9.611 -4.151 1.029 1.00 0.00 C ATOM 764 O GLU A 52 -9.287 -3.838 -0.115 1.00 0.00 O ATOM 765 CB GLU A 52 -9.560 -2.874 3.181 1.00 0.00 C ATOM 766 CG GLU A 52 -8.947 -2.735 4.566 1.00 0.00 C ATOM 767 CD GLU A 52 -8.795 -4.067 5.276 1.00 0.00 C ATOM 768 OE1 GLU A 52 -7.786 -4.760 5.029 1.00 0.00 O ATOM 769 OE2 GLU A 52 -9.684 -4.415 6.082 1.00 0.00 O ATOM 0 H GLU A 52 -7.668 -2.023 1.711 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.424 -4.646 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.673 -1.882 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.560 -3.295 3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.970 -2.260 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.570 -2.075 5.170 1.00 0.00 H new ATOM 776 N MET A 53 -10.701 -4.859 1.298 1.00 0.00 N ATOM 777 CA MET A 53 -11.590 -5.304 0.229 1.00 0.00 C ATOM 778 C MET A 53 -12.278 -4.126 -0.454 1.00 0.00 C ATOM 779 O MET A 53 -12.095 -3.899 -1.652 1.00 0.00 O ATOM 780 CB MET A 53 -12.641 -6.268 0.784 1.00 0.00 C ATOM 781 CG MET A 53 -12.074 -7.620 1.178 1.00 0.00 C ATOM 782 SD MET A 53 -11.234 -8.443 -0.189 1.00 0.00 S ATOM 783 CE MET A 53 -9.522 -8.072 0.188 1.00 0.00 C ATOM 0 H MET A 53 -10.990 -5.136 2.236 1.00 0.00 H new ATOM 0 HA MET A 53 -10.982 -5.818 -0.515 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.115 -5.814 1.654 1.00 0.00 H new ATOM 0 HB3 MET A 53 -13.420 -6.414 0.036 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.375 -7.490 2.004 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.881 -8.257 1.540 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.980 -7.876 -0.737 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.473 -7.193 0.831 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.070 -8.921 0.700 1.00 0.00 H new ATOM 793 N ASP A 54 -13.063 -3.370 0.308 1.00 0.00 N ATOM 794 CA ASP A 54 -13.764 -2.218 -0.241 1.00 0.00 C ATOM 795 C ASP A 54 -12.900 -0.965 -0.160 1.00 0.00 C ATOM 796 O ASP A 54 -12.376 -0.496 -1.172 1.00 0.00 O ATOM 797 CB ASP A 54 -15.099 -2.007 0.471 1.00 0.00 C ATOM 798 CG ASP A 54 -14.988 -2.030 1.983 1.00 0.00 C ATOM 799 OD1 ASP A 54 -14.647 -3.095 2.539 1.00 0.00 O ATOM 800 OD2 ASP A 54 -15.238 -0.980 2.612 1.00 0.00 O ATOM 0 H ASP A 54 -13.228 -3.534 1.301 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.969 -2.416 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.521 -1.051 0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.797 -2.782 0.154 1.00 0.00 H new ATOM 805 N ASN A 55 -12.754 -0.424 1.044 1.00 0.00 N ATOM 806 CA ASN A 55 -11.954 0.774 1.257 1.00 0.00 C ATOM 807 C ASN A 55 -10.581 0.639 0.607 1.00 0.00 C ATOM 808 O ASN A 55 -9.955 1.634 0.241 1.00 0.00 O ATOM 809 CB ASN A 55 -11.792 1.030 2.755 1.00 0.00 C ATOM 810 CG ASN A 55 -11.500 2.482 3.062 1.00 0.00 C ATOM 811 OD1 ASN A 55 -12.294 3.162 3.710 1.00 0.00 O ATOM 812 ND2 ASN A 55 -10.356 2.961 2.596 1.00 0.00 N ATOM 0 H ASN A 55 -13.182 -0.799 1.891 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.471 1.615 0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.702 0.727 3.273 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.984 0.410 3.142 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.102 3.933 2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.730 2.357 2.063 1.00 0.00 H new ATOM 819 N GLY A 56 -10.111 -0.597 0.478 1.00 0.00 N ATOM 820 CA GLY A 56 -8.812 -0.837 -0.114 1.00 0.00 C ATOM 821 C GLY A 56 -8.749 -0.467 -1.582 1.00 0.00 C ATOM 822 O GLY A 56 -7.942 0.373 -1.980 1.00 0.00 O ATOM 0 H GLY A 56 -10.609 -1.437 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.060 -0.266 0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.557 -1.891 0.000 1.00 0.00 H new ATOM 826 N GLU A 57 -9.589 -1.104 -2.398 1.00 0.00 N ATOM 827 CA GLU A 57 -9.609 -0.838 -3.839 1.00 0.00 C ATOM 828 C GLU A 57 -9.397 0.641 -4.145 1.00 0.00 C ATOM 829 O GLU A 57 -8.546 0.999 -4.956 1.00 0.00 O ATOM 830 CB GLU A 57 -10.928 -1.297 -4.451 1.00 0.00 C ATOM 831 CG GLU A 57 -11.255 -2.757 -4.178 1.00 0.00 C ATOM 832 CD GLU A 57 -11.010 -3.648 -5.381 1.00 0.00 C ATOM 833 OE1 GLU A 57 -11.529 -3.331 -6.473 1.00 0.00 O ATOM 834 OE2 GLU A 57 -10.303 -4.666 -5.230 1.00 0.00 O ATOM 0 H GLU A 57 -10.262 -1.805 -2.089 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.786 -1.401 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.734 -0.675 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.893 -1.137 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.652 -3.110 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.299 -2.841 -3.876 1.00 0.00 H new ATOM 841 N ILE A 58 -10.168 1.497 -3.487 1.00 0.00 N ATOM 842 CA ILE A 58 -10.048 2.937 -3.690 1.00 0.00 C ATOM 843 C ILE A 58 -8.594 3.373 -3.510 1.00 0.00 C ATOM 844 O ILE A 58 -8.051 4.121 -4.324 1.00 0.00 O ATOM 845 CB ILE A 58 -10.964 3.703 -2.709 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.432 3.455 -3.065 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.661 5.201 -2.709 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.110 2.451 -2.157 1.00 0.00 C ATOM 0 H ILE A 58 -10.880 1.222 -2.811 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.363 3.172 -4.707 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.769 3.329 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.974 4.400 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.494 3.102 -4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.325 5.706 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.625 5.363 -2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.816 5.604 -3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.147 2.323 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.592 1.494 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.079 2.812 -1.129 1.00 0.00 H new ATOM 860 N LEU A 59 -7.980 2.890 -2.432 1.00 0.00 N ATOM 861 CA LEU A 59 -6.589 3.202 -2.110 1.00 0.00 C ATOM 862 C LEU A 59 -5.707 3.247 -3.357 1.00 0.00 C ATOM 863 O LEU A 59 -4.785 4.058 -3.451 1.00 0.00 O ATOM 864 CB LEU A 59 -6.046 2.157 -1.134 1.00 0.00 C ATOM 865 CG LEU A 59 -5.356 0.953 -1.786 1.00 0.00 C ATOM 866 CD1 LEU A 59 -3.888 1.254 -2.048 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.502 -0.275 -0.914 1.00 0.00 C ATOM 0 H LEU A 59 -8.432 2.272 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.567 4.192 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.337 2.643 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.870 1.795 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.839 0.755 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.416 0.387 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.806 2.112 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.389 1.479 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.007 -1.121 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.045 -0.088 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.560 -0.502 -0.780 1.00 0.00 H new ATOM 879 N ASN A 60 -5.996 2.360 -4.304 1.00 0.00 N ATOM 880 CA ASN A 60 -5.228 2.279 -5.547 1.00 0.00 C ATOM 881 C ASN A 60 -4.988 3.660 -6.156 1.00 0.00 C ATOM 882 O ASN A 60 -4.033 3.857 -6.907 1.00 0.00 O ATOM 883 CB ASN A 60 -5.949 1.383 -6.557 1.00 0.00 C ATOM 884 CG ASN A 60 -5.010 0.400 -7.227 1.00 0.00 C ATOM 885 OD1 ASN A 60 -3.916 0.762 -7.658 1.00 0.00 O ATOM 886 ND2 ASN A 60 -5.435 -0.855 -7.320 1.00 0.00 N ATOM 0 H ASN A 60 -6.758 1.685 -4.236 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.257 1.847 -5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.744 0.835 -6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.424 2.004 -7.317 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.847 -1.561 -7.762 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.350 -1.113 -6.949 1.00 0.00 H new ATOM 893 N LEU A 61 -5.864 4.608 -5.839 1.00 0.00 N ATOM 894 CA LEU A 61 -5.747 5.962 -6.369 1.00 0.00 C ATOM 895 C LEU A 61 -5.309 6.954 -5.292 1.00 0.00 C ATOM 896 O LEU A 61 -6.000 7.941 -5.040 1.00 0.00 O ATOM 897 CB LEU A 61 -7.084 6.408 -6.964 1.00 0.00 C ATOM 898 CG LEU A 61 -7.871 5.316 -7.702 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.283 5.201 -7.143 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.906 5.597 -9.198 1.00 0.00 C ATOM 0 H LEU A 61 -6.661 4.464 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.983 5.948 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.707 6.802 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.899 7.230 -7.656 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.363 4.364 -7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.824 4.422 -7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.236 4.947 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.801 6.152 -7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.468 4.811 -9.703 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.386 6.559 -9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.888 5.622 -9.587 1.00 0.00 H new ATOM 912 N LEU A 62 -4.168 6.684 -4.644 1.00 0.00 N ATOM 913 CA LEU A 62 -3.651 7.554 -3.580 1.00 0.00 C ATOM 914 C LEU A 62 -4.042 9.020 -3.795 1.00 0.00 C ATOM 915 O LEU A 62 -3.381 9.753 -4.531 1.00 0.00 O ATOM 916 CB LEU A 62 -2.128 7.426 -3.489 1.00 0.00 C ATOM 917 CG LEU A 62 -1.625 6.079 -2.973 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.284 5.737 -3.597 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.520 6.089 -1.456 1.00 0.00 C ATOM 0 H LEU A 62 -3.585 5.870 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.102 7.228 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.704 7.601 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.750 8.213 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.345 5.313 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.059 4.774 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.390 5.683 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.443 6.507 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.160 5.120 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.823 6.867 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.501 6.287 -1.025 1.00 0.00 H new ATOM 931 N ASP A 63 -5.130 9.430 -3.147 1.00 0.00 N ATOM 932 CA ASP A 63 -5.631 10.797 -3.259 1.00 0.00 C ATOM 933 C ASP A 63 -5.561 11.518 -1.918 1.00 0.00 C ATOM 934 O ASP A 63 -5.518 10.887 -0.867 1.00 0.00 O ATOM 935 CB ASP A 63 -7.076 10.780 -3.763 1.00 0.00 C ATOM 936 CG ASP A 63 -7.370 11.907 -4.732 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.456 12.293 -5.492 1.00 0.00 O ATOM 938 OD2 ASP A 63 -8.516 12.405 -4.734 1.00 0.00 O ATOM 0 H ASP A 63 -5.684 8.831 -2.535 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.002 11.334 -3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.275 9.826 -4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.754 10.851 -2.913 1.00 0.00 H new ATOM 943 N THR A 64 -5.562 12.844 -1.950 1.00 0.00 N ATOM 944 CA THR A 64 -5.507 13.618 -0.717 1.00 0.00 C ATOM 945 C THR A 64 -6.850 13.569 0.008 1.00 0.00 C ATOM 946 O THR A 64 -6.897 13.300 1.205 1.00 0.00 O ATOM 947 CB THR A 64 -5.109 15.068 -0.999 1.00 0.00 C ATOM 948 OG1 THR A 64 -4.213 15.138 -2.094 1.00 0.00 O ATOM 949 CG2 THR A 64 -4.448 15.742 0.186 1.00 0.00 C ATOM 0 H THR A 64 -5.600 13.400 -2.804 1.00 0.00 H new ATOM 0 HA THR A 64 -4.747 13.173 -0.074 1.00 0.00 H new ATOM 0 HB THR A 64 -6.040 15.590 -1.222 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.972 16.073 -2.260 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.189 16.768 -0.077 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.135 15.746 1.032 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.543 15.197 0.456 1.00 0.00 H new ATOM 957 N PRO A 65 -7.965 13.816 -0.702 1.00 0.00 N ATOM 958 CA PRO A 65 -9.293 13.779 -0.097 1.00 0.00 C ATOM 959 C PRO A 65 -9.791 12.349 0.128 1.00 0.00 C ATOM 960 O PRO A 65 -9.904 11.895 1.266 1.00 0.00 O ATOM 961 CB PRO A 65 -10.176 14.512 -1.108 1.00 0.00 C ATOM 962 CG PRO A 65 -9.475 14.397 -2.424 1.00 0.00 C ATOM 963 CD PRO A 65 -8.015 14.140 -2.140 1.00 0.00 C ATOM 0 HA PRO A 65 -9.301 14.237 0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.169 14.066 -1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.308 15.557 -0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.899 13.585 -3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.597 15.311 -3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.633 13.318 -2.745 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.407 15.015 -2.370 1.00 0.00 H new ATOM 971 N GLY A 66 -10.095 11.652 -0.964 1.00 0.00 N ATOM 972 CA GLY A 66 -10.590 10.286 -0.881 1.00 0.00 C ATOM 973 C GLY A 66 -9.799 9.407 0.067 1.00 0.00 C ATOM 974 O GLY A 66 -10.346 8.883 1.039 1.00 0.00 O ATOM 0 H GLY A 66 -10.006 12.012 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.632 10.305 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.571 9.841 -1.876 1.00 0.00 H new ATOM 978 N LEU A 67 -8.508 9.239 -0.213 1.00 0.00 N ATOM 979 CA LEU A 67 -7.640 8.416 0.621 1.00 0.00 C ATOM 980 C LEU A 67 -7.746 8.819 2.089 1.00 0.00 C ATOM 981 O LEU A 67 -8.291 8.079 2.904 1.00 0.00 O ATOM 982 CB LEU A 67 -6.203 8.558 0.136 1.00 0.00 C ATOM 983 CG LEU A 67 -5.549 7.272 -0.366 1.00 0.00 C ATOM 984 CD1 LEU A 67 -5.217 6.348 0.791 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.456 6.577 -1.371 1.00 0.00 C ATOM 0 H LEU A 67 -8.041 9.664 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.955 7.376 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.180 9.294 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.600 8.957 0.952 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.615 7.531 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.752 5.439 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.528 6.849 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.132 6.091 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.978 5.662 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.405 6.331 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.635 7.239 -2.218 1.00 0.00 H new ATOM 997 N LEU A 68 -7.221 9.994 2.422 1.00 0.00 N ATOM 998 CA LEU A 68 -7.251 10.483 3.800 1.00 0.00 C ATOM 999 C LEU A 68 -8.649 10.368 4.410 1.00 0.00 C ATOM 1000 O LEU A 68 -8.789 10.252 5.628 1.00 0.00 O ATOM 1001 CB LEU A 68 -6.766 11.930 3.871 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.389 12.115 4.505 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.292 11.825 3.491 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.248 13.521 5.065 1.00 0.00 C ATOM 0 H LEU A 68 -6.770 10.625 1.760 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.577 9.854 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.743 12.341 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.492 12.514 4.437 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.287 11.407 5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.318 11.962 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.384 10.798 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.387 12.508 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.261 13.637 5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.369 14.247 4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.013 13.689 5.823 1.00 0.00 H new ATOM 1016 N ASP A 69 -9.678 10.393 3.569 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.045 10.279 4.059 1.00 0.00 C ATOM 1018 C ASP A 69 -11.377 8.823 4.357 1.00 0.00 C ATOM 1019 O ASP A 69 -11.696 8.474 5.487 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.042 10.853 3.051 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.282 11.408 3.725 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -13.138 12.100 4.755 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.397 11.153 3.224 1.00 0.00 O ATOM 0 H ASP A 69 -9.593 10.490 2.557 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.124 10.857 4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.560 11.642 2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.332 10.074 2.345 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.293 7.977 3.337 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.579 6.555 3.499 1.00 0.00 C ATOM 1030 C ALA A 70 -10.455 5.831 4.242 1.00 0.00 C ATOM 1031 O ALA A 70 -10.569 4.646 4.551 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.817 5.910 2.143 1.00 0.00 C ATOM 0 H ALA A 70 -11.030 8.250 2.390 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.482 6.465 4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.029 4.849 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.665 6.391 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.928 6.027 1.524 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.373 6.545 4.531 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.240 5.963 5.239 1.00 0.00 C ATOM 1040 C LYS A 71 -8.457 6.026 6.747 1.00 0.00 C ATOM 1041 O LYS A 71 -8.320 5.022 7.446 1.00 0.00 O ATOM 1042 CB LYS A 71 -6.948 6.698 4.864 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.291 6.213 3.569 1.00 0.00 C ATOM 1044 CD LYS A 71 -6.406 4.707 3.379 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.613 4.343 2.528 1.00 0.00 C ATOM 1046 NZ LYS A 71 -7.537 2.941 2.034 1.00 0.00 N ATOM 0 H LYS A 71 -9.257 7.528 4.286 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.152 4.917 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.165 7.762 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.234 6.590 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.753 6.718 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.238 6.495 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.499 4.329 2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.486 4.222 4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.523 4.474 3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.679 5.024 1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.282 2.782 1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.606 2.776 1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.670 2.285 2.830 1.00 0.00 H new ATOM 1060 N VAL A 72 -8.805 7.210 7.237 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.051 7.409 8.663 1.00 0.00 C ATOM 1062 C VAL A 72 -10.295 6.660 9.120 1.00 0.00 C ATOM 1063 O VAL A 72 -10.316 6.079 10.202 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.206 8.908 8.992 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -7.966 9.679 8.558 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.457 9.479 8.334 1.00 0.00 C ATOM 0 H VAL A 72 -8.924 8.048 6.668 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.187 7.013 9.197 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.315 9.014 10.071 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.092 10.735 8.797 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.093 9.290 9.082 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.824 9.565 7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.546 10.537 8.579 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.385 9.362 7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.335 8.946 8.699 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.328 6.681 8.288 1.00 0.00 N ATOM 1077 CA GLN A 73 -12.582 6.010 8.604 1.00 0.00 C ATOM 1078 C GLN A 73 -12.385 4.503 8.738 1.00 0.00 C ATOM 1079 O GLN A 73 -12.784 3.906 9.734 1.00 0.00 O ATOM 1080 CB GLN A 73 -13.622 6.308 7.526 1.00 0.00 C ATOM 1081 CG GLN A 73 -13.773 7.789 7.227 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.186 8.588 8.446 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -14.927 8.100 9.301 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -13.709 9.824 8.534 1.00 0.00 N ATOM 0 H GLN A 73 -11.322 7.157 7.386 1.00 0.00 H new ATOM 0 HA GLN A 73 -12.936 6.391 9.562 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.345 5.786 6.610 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.586 5.908 7.841 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.829 8.177 6.845 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.515 7.924 6.440 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.098 10.188 7.803 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.953 10.409 9.333 1.00 0.00 H new ATOM 1093 N GLU A 74 -11.772 3.890 7.732 1.00 0.00 N ATOM 1094 CA GLU A 74 -11.533 2.448 7.746 1.00 0.00 C ATOM 1095 C GLU A 74 -10.857 2.005 9.042 1.00 0.00 C ATOM 1096 O GLU A 74 -11.198 0.969 9.608 1.00 0.00 O ATOM 1097 CB GLU A 74 -10.674 2.039 6.551 1.00 0.00 C ATOM 1098 CG GLU A 74 -10.371 0.549 6.501 1.00 0.00 C ATOM 1099 CD GLU A 74 -8.885 0.260 6.398 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -8.205 0.257 7.445 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -8.402 0.037 5.267 1.00 0.00 O ATOM 0 H GLU A 74 -11.431 4.366 6.897 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.502 1.954 7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.183 2.329 5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.735 2.591 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.769 0.071 7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.884 0.106 5.647 1.00 0.00 H new ATOM 1108 N ALA A 75 -9.891 2.795 9.502 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.159 2.480 10.724 1.00 0.00 C ATOM 1110 C ALA A 75 -9.942 2.891 11.964 1.00 0.00 C ATOM 1111 O ALA A 75 -9.935 2.192 12.977 1.00 0.00 O ATOM 1112 CB ALA A 75 -7.799 3.162 10.714 1.00 0.00 C ATOM 0 H ALA A 75 -9.597 3.659 9.046 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.018 1.400 10.759 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.263 2.919 11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.224 2.815 9.855 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.934 4.242 10.648 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.608 4.035 11.881 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.389 4.544 12.999 1.00 0.00 C ATOM 1120 C LEU A 76 -12.636 3.693 13.227 1.00 0.00 C ATOM 1121 O LEU A 76 -13.051 3.476 14.365 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.773 6.003 12.751 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.794 7.032 13.317 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.251 8.446 12.988 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.637 6.855 14.821 1.00 0.00 C ATOM 0 H LEU A 76 -10.623 4.628 11.051 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.777 4.490 13.899 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.863 6.162 11.676 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.757 6.183 13.184 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.822 6.870 12.851 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.541 9.163 13.400 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.305 8.569 11.906 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.235 8.620 13.422 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.936 7.597 15.203 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.604 6.986 15.306 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.258 5.855 15.032 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.228 3.210 12.138 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.424 2.383 12.220 1.00 0.00 C ATOM 1139 C GLU A 77 -14.062 0.945 12.577 1.00 0.00 C ATOM 1140 O GLU A 77 -14.766 0.289 13.343 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.189 2.419 10.893 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.650 2.808 11.043 1.00 0.00 C ATOM 1143 CD GLU A 77 -16.827 4.242 11.503 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.610 4.510 12.705 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -17.181 5.096 10.666 1.00 0.00 O ATOM 0 H GLU A 77 -12.897 3.378 11.188 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.063 2.785 13.006 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.701 3.125 10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.130 1.438 10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.159 2.671 10.089 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.129 2.139 11.758 1.00 0.00 H new ATOM 1152 N VAL A 78 -12.953 0.462 12.018 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.498 -0.897 12.287 1.00 0.00 C ATOM 1154 C VAL A 78 -11.931 -1.022 13.705 1.00 0.00 C ATOM 1155 O VAL A 78 -11.642 -2.125 14.171 1.00 0.00 O ATOM 1156 CB VAL A 78 -11.442 -1.358 11.255 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -10.090 -0.711 11.516 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -11.325 -2.874 11.253 1.00 0.00 C ATOM 0 H VAL A 78 -12.358 0.990 11.380 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.369 -1.547 12.200 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.775 -1.036 10.269 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.372 -1.057 10.773 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.187 0.373 11.451 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.742 -0.985 12.512 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.578 -3.180 10.521 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.025 -3.217 12.243 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.288 -3.313 10.993 1.00 0.00 H new