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 HE2:sc= -27.2! C(o=-33!,f=-30!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -118:sc= -6.1! (180deg=-5.34!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.35! K(o=-2.4!,f=-0.44) USER MOD Single : A 39 ASN : amide:sc= -2.03 K(o=-2,f=-9.4!) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0817) USER MOD Single : A 47 THR OG1 : rot 88:sc= -0.149 USER MOD Single : A 49 MET CE :methyl 140:sc= -0.28 (180deg=-2.1) USER MOD Single : A 53 MET CE :methyl -158:sc= -0.138 (180deg=-0.698) USER MOD Single : A 55 ASN : amide:sc= -2.68 K(o=-2.7,f=0.0055) USER MOD Single : A 60 ASN : amide:sc=-0.00325 X(o=-0.0033,f=-0.13) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 73 GLN : amide:sc= -0.57 X(o=-0.57,f=-1) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 6.983 2.889 -1.306 1.00 0.00 N ATOM 363 CA VAL A 26 6.620 4.300 -1.235 1.00 0.00 C ATOM 364 C VAL A 26 5.197 4.475 -0.723 1.00 0.00 C ATOM 365 O VAL A 26 4.945 5.289 0.164 1.00 0.00 O ATOM 366 CB VAL A 26 6.771 5.007 -2.605 1.00 0.00 C ATOM 367 CG1 VAL A 26 5.601 4.702 -3.532 1.00 0.00 C ATOM 368 CG2 VAL A 26 6.926 6.509 -2.412 1.00 0.00 C ATOM 0 HA VAL A 26 7.312 4.766 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 26 7.672 4.618 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.746 5.217 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.545 3.627 -3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.674 5.043 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.031 6.992 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.046 6.903 -1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.812 6.709 -1.810 1.00 0.00 H new ATOM 378 N LEU A 27 4.268 3.711 -1.289 1.00 0.00 N ATOM 379 CA LEU A 27 2.871 3.790 -0.887 1.00 0.00 C ATOM 380 C LEU A 27 2.736 3.719 0.629 1.00 0.00 C ATOM 381 O LEU A 27 2.163 4.613 1.247 1.00 0.00 O ATOM 382 CB LEU A 27 2.077 2.646 -1.526 1.00 0.00 C ATOM 383 CG LEU A 27 1.243 3.033 -2.751 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.635 2.182 -3.951 1.00 0.00 C ATOM 385 CD2 LEU A 27 -0.248 2.890 -2.458 1.00 0.00 C ATOM 0 H LEU A 27 4.458 3.032 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 27 2.473 4.746 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.774 1.859 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.412 2.222 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 27 1.445 4.078 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.033 2.469 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.690 2.336 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.463 1.130 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.821 3.170 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.470 1.856 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.520 3.542 -1.628 1.00 0.00 H new ATOM 397 N GLY A 28 3.270 2.650 1.215 1.00 0.00 N ATOM 398 CA GLY A 28 3.193 2.469 2.654 1.00 0.00 C ATOM 399 C GLY A 28 3.878 3.576 3.427 1.00 0.00 C ATOM 400 O GLY A 28 3.298 4.143 4.352 1.00 0.00 O ATOM 0 H GLY A 28 3.756 1.904 0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.146 2.419 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.646 1.514 2.919 1.00 0.00 H new ATOM 404 N GLU A 29 5.111 3.892 3.048 1.00 0.00 N ATOM 405 CA GLU A 29 5.859 4.947 3.721 1.00 0.00 C ATOM 406 C GLU A 29 5.123 6.277 3.605 1.00 0.00 C ATOM 407 O GLU A 29 4.828 6.926 4.608 1.00 0.00 O ATOM 408 CB GLU A 29 7.261 5.066 3.126 1.00 0.00 C ATOM 409 CG GLU A 29 8.267 4.113 3.750 1.00 0.00 C ATOM 410 CD GLU A 29 8.410 4.316 5.246 1.00 0.00 C ATOM 411 OE1 GLU A 29 9.117 5.261 5.653 1.00 0.00 O ATOM 412 OE2 GLU A 29 7.813 3.530 6.011 1.00 0.00 O ATOM 0 H GLU A 29 5.611 3.437 2.284 1.00 0.00 H new ATOM 0 HA GLU A 29 5.948 4.689 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.209 4.876 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.615 6.089 3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.959 3.086 3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.238 4.252 3.274 1.00 0.00 H new ATOM 419 N ARG A 30 4.820 6.671 2.371 1.00 0.00 N ATOM 420 CA ARG A 30 4.108 7.917 2.123 1.00 0.00 C ATOM 421 C ARG A 30 2.705 7.869 2.717 1.00 0.00 C ATOM 422 O ARG A 30 2.097 8.910 2.971 1.00 0.00 O ATOM 423 CB ARG A 30 4.018 8.193 0.621 1.00 0.00 C ATOM 424 CG ARG A 30 5.321 8.691 0.013 1.00 0.00 C ATOM 425 CD ARG A 30 5.534 10.174 0.288 1.00 0.00 C ATOM 426 NE ARG A 30 4.678 11.016 -0.546 1.00 0.00 N ATOM 427 CZ ARG A 30 4.875 12.320 -0.736 1.00 0.00 C ATOM 428 NH1 ARG A 30 5.891 12.938 -0.146 1.00 0.00 N ATOM 429 NH2 ARG A 30 4.051 13.009 -1.514 1.00 0.00 N ATOM 0 H ARG A 30 5.057 6.145 1.530 1.00 0.00 H new ATOM 0 HA ARG A 30 4.666 8.721 2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.714 7.279 0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.238 8.933 0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.156 8.121 0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.312 8.517 -1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.331 10.380 1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.578 10.429 0.109 1.00 0.00 H new ATOM 0 HE ARG A 30 3.882 10.579 -1.010 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.526 12.414 0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.037 13.936 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.266 12.541 -1.967 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.202 14.007 -1.659 1.00 0.00 H new ATOM 443 N LEU A 31 2.193 6.663 2.935 1.00 0.00 N ATOM 444 CA LEU A 31 0.865 6.491 3.495 1.00 0.00 C ATOM 445 C LEU A 31 0.851 6.862 4.976 1.00 0.00 C ATOM 446 O LEU A 31 0.141 7.770 5.403 1.00 0.00 O ATOM 447 CB LEU A 31 0.416 5.040 3.316 1.00 0.00 C ATOM 448 CG LEU A 31 -0.866 4.839 2.501 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.593 4.029 1.245 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.937 4.163 3.347 1.00 0.00 C ATOM 0 H LEU A 31 2.681 5.791 2.731 1.00 0.00 H new ATOM 0 HA LEU A 31 0.176 7.152 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.222 4.486 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.271 4.599 4.302 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.230 5.821 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.520 3.901 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.135 4.552 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.199 3.051 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.840 4.029 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.576 3.191 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.163 4.785 4.213 1.00 0.00 H new ATOM 462 N TYR A 32 1.645 6.149 5.759 1.00 0.00 N ATOM 463 CA TYR A 32 1.728 6.388 7.197 1.00 0.00 C ATOM 464 C TYR A 32 1.915 7.868 7.517 1.00 0.00 C ATOM 465 O TYR A 32 1.391 8.360 8.507 1.00 0.00 O ATOM 466 CB TYR A 32 2.879 5.574 7.790 1.00 0.00 C ATOM 467 CG TYR A 32 2.669 5.158 9.229 1.00 0.00 C ATOM 468 CD1 TYR A 32 1.939 4.019 9.544 1.00 0.00 C ATOM 469 CD2 TYR A 32 3.209 5.898 10.273 1.00 0.00 C ATOM 470 CE1 TYR A 32 1.750 3.631 10.857 1.00 0.00 C ATOM 471 CE2 TYR A 32 3.025 5.518 11.589 1.00 0.00 C ATOM 472 CZ TYR A 32 2.295 4.384 11.875 1.00 0.00 C ATOM 473 OH TYR A 32 2.110 4.002 13.183 1.00 0.00 O ATOM 0 H TYR A 32 2.245 5.396 5.424 1.00 0.00 H new ATOM 0 HA TYR A 32 0.785 6.072 7.643 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.027 4.681 7.183 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.796 6.160 7.723 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.512 3.426 8.749 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.783 6.786 10.053 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.179 2.743 11.084 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.451 6.106 12.389 1.00 0.00 H new ATOM 0 HH TYR A 32 2.559 4.639 13.777 1.00 0.00 H new ATOM 483 N ASN A 33 2.681 8.571 6.691 1.00 0.00 N ATOM 484 CA ASN A 33 2.943 9.993 6.913 1.00 0.00 C ATOM 485 C ASN A 33 1.655 10.815 6.902 1.00 0.00 C ATOM 486 O ASN A 33 1.451 11.676 7.758 1.00 0.00 O ATOM 487 CB ASN A 33 3.920 10.509 5.848 1.00 0.00 C ATOM 488 CG ASN A 33 3.856 12.016 5.655 1.00 0.00 C ATOM 489 OD1 ASN A 33 4.736 12.749 6.106 1.00 0.00 O ATOM 490 ND2 ASN A 33 2.810 12.482 4.980 1.00 0.00 N ATOM 0 H ASN A 33 3.132 8.183 5.862 1.00 0.00 H new ATOM 0 HA ASN A 33 3.389 10.106 7.901 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.935 10.228 6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.705 10.018 4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.713 13.484 4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.104 11.837 4.624 1.00 0.00 H new ATOM 497 N HIS A 34 0.800 10.561 5.923 1.00 0.00 N ATOM 498 CA HIS A 34 -0.452 11.295 5.800 1.00 0.00 C ATOM 499 C HIS A 34 -1.344 11.059 7.006 1.00 0.00 C ATOM 500 O HIS A 34 -2.010 11.966 7.500 1.00 0.00 O ATOM 501 CB HIS A 34 -1.194 10.865 4.530 1.00 0.00 C ATOM 502 CG HIS A 34 -1.820 9.503 4.614 1.00 0.00 C ATOM 503 ND1 HIS A 34 -1.480 8.459 3.788 1.00 0.00 N ATOM 504 CD2 HIS A 34 -2.757 9.014 5.457 1.00 0.00 C ATOM 505 CE1 HIS A 34 -2.182 7.389 4.130 1.00 0.00 C ATOM 506 NE2 HIS A 34 -2.962 7.703 5.135 1.00 0.00 N ATOM 0 H HIS A 34 0.949 9.854 5.203 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.212 12.357 5.744 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.972 11.597 4.312 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.497 10.881 3.692 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -0.796 8.501 3.032 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.254 9.562 6.244 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.122 6.419 3.659 1.00 0.00 H new ATOM 515 N ILE A 35 -1.387 9.812 7.430 1.00 0.00 N ATOM 516 CA ILE A 35 -2.235 9.402 8.536 1.00 0.00 C ATOM 517 C ILE A 35 -1.554 9.534 9.897 1.00 0.00 C ATOM 518 O ILE A 35 -2.171 9.996 10.850 1.00 0.00 O ATOM 519 CB ILE A 35 -2.727 7.956 8.335 1.00 0.00 C ATOM 520 CG1 ILE A 35 -3.572 7.503 9.524 1.00 0.00 C ATOM 521 CG2 ILE A 35 -1.552 7.018 8.101 1.00 0.00 C ATOM 522 CD1 ILE A 35 -4.935 6.991 9.120 1.00 0.00 C ATOM 0 H ILE A 35 -0.838 9.056 7.021 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.085 10.084 8.537 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.360 7.926 7.448 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.040 6.718 10.062 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.694 8.337 10.215 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.920 6.002 7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.007 7.332 7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.886 7.047 8.963 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.487 6.685 10.009 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.483 7.781 8.607 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.820 6.137 8.452 1.00 0.00 H new ATOM 534 N VAL A 36 -0.292 9.128 10.001 1.00 0.00 N ATOM 535 CA VAL A 36 0.425 9.219 11.275 1.00 0.00 C ATOM 536 C VAL A 36 0.140 10.553 11.963 1.00 0.00 C ATOM 537 O VAL A 36 -0.216 10.593 13.141 1.00 0.00 O ATOM 538 CB VAL A 36 1.952 9.042 11.103 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.544 10.133 10.226 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.636 9.024 12.462 1.00 0.00 C ATOM 0 H VAL A 36 0.252 8.737 9.232 1.00 0.00 H new ATOM 0 HA VAL A 36 0.060 8.402 11.897 1.00 0.00 H new ATOM 0 HB VAL A 36 2.124 8.087 10.606 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.618 9.977 10.127 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.080 10.099 9.240 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.359 11.106 10.681 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.710 8.899 12.327 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.442 9.964 12.979 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.246 8.197 13.055 1.00 0.00 H new ATOM 550 N ALA A 37 0.296 11.637 11.213 1.00 0.00 N ATOM 551 CA ALA A 37 0.053 12.973 11.735 1.00 0.00 C ATOM 552 C ALA A 37 -1.442 13.252 11.832 1.00 0.00 C ATOM 553 O ALA A 37 -1.889 14.023 12.681 1.00 0.00 O ATOM 554 CB ALA A 37 0.726 14.005 10.845 1.00 0.00 C ATOM 0 H ALA A 37 0.591 11.615 10.237 1.00 0.00 H new ATOM 0 HA ALA A 37 0.476 13.037 12.738 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.540 15.003 11.241 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.800 13.819 10.819 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.321 13.934 9.835 1.00 0.00 H new ATOM 560 N ILE A 38 -2.207 12.623 10.948 1.00 0.00 N ATOM 561 CA ILE A 38 -3.657 12.807 10.923 1.00 0.00 C ATOM 562 C ILE A 38 -4.354 11.892 11.934 1.00 0.00 C ATOM 563 O ILE A 38 -4.949 12.367 12.900 1.00 0.00 O ATOM 564 CB ILE A 38 -4.228 12.565 9.501 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.957 13.774 8.594 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.727 12.280 9.548 1.00 0.00 C ATOM 567 CD1 ILE A 38 -2.615 14.445 8.820 1.00 0.00 C ATOM 0 H ILE A 38 -1.851 11.982 10.239 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.855 13.841 11.204 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.723 11.691 9.089 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.017 13.452 7.554 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.747 14.510 8.746 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.098 12.115 8.536 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.910 11.391 10.151 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.245 13.131 9.990 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.510 15.288 8.137 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.555 14.802 9.848 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.814 13.728 8.638 1.00 0.00 H new ATOM 579 N ASN A 39 -4.271 10.587 11.708 1.00 0.00 N ATOM 580 CA ASN A 39 -4.892 9.617 12.602 1.00 0.00 C ATOM 581 C ASN A 39 -3.873 8.609 13.136 1.00 0.00 C ATOM 582 O ASN A 39 -3.734 7.509 12.598 1.00 0.00 O ATOM 583 CB ASN A 39 -6.015 8.884 11.878 1.00 0.00 C ATOM 584 CG ASN A 39 -7.262 8.764 12.725 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.347 9.167 12.309 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.112 8.209 13.920 1.00 0.00 N ATOM 0 H ASN A 39 -3.780 10.176 10.914 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.301 10.163 13.452 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.255 9.412 10.955 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.673 7.888 11.596 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.917 8.102 14.537 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.192 7.889 14.222 1.00 0.00 H new ATOM 593 N PRO A 40 -3.144 8.970 14.204 1.00 0.00 N ATOM 594 CA PRO A 40 -2.137 8.089 14.808 1.00 0.00 C ATOM 595 C PRO A 40 -2.696 6.712 15.165 1.00 0.00 C ATOM 596 O PRO A 40 -1.986 5.709 15.096 1.00 0.00 O ATOM 597 CB PRO A 40 -1.725 8.839 16.079 1.00 0.00 C ATOM 598 CG PRO A 40 -2.026 10.268 15.788 1.00 0.00 C ATOM 599 CD PRO A 40 -3.242 10.261 14.907 1.00 0.00 C ATOM 0 HA PRO A 40 -1.313 7.890 14.122 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.283 8.485 16.946 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.667 8.694 16.299 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.213 10.823 16.707 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.185 10.751 15.290 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.161 10.333 15.489 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.239 11.099 14.211 1.00 0.00 H new ATOM 607 N ALA A 41 -3.967 6.673 15.552 1.00 0.00 N ATOM 608 CA ALA A 41 -4.616 5.417 15.926 1.00 0.00 C ATOM 609 C ALA A 41 -5.349 4.800 14.740 1.00 0.00 C ATOM 610 O ALA A 41 -6.494 4.364 14.860 1.00 0.00 O ATOM 611 CB ALA A 41 -5.579 5.651 17.080 1.00 0.00 C ATOM 0 H ALA A 41 -4.569 7.494 15.615 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.844 4.716 16.243 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.057 4.710 17.351 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.031 6.040 17.938 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.340 6.371 16.779 1.00 0.00 H new ATOM 617 N ALA A 42 -4.680 4.764 13.593 1.00 0.00 N ATOM 618 CA ALA A 42 -5.261 4.196 12.387 1.00 0.00 C ATOM 619 C ALA A 42 -4.171 3.837 11.391 1.00 0.00 C ATOM 620 O ALA A 42 -4.219 2.787 10.754 1.00 0.00 O ATOM 621 CB ALA A 42 -6.251 5.167 11.770 1.00 0.00 C ATOM 0 H ALA A 42 -3.733 5.123 13.475 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.795 3.284 12.654 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.678 4.728 10.868 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.048 5.377 12.483 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.739 6.095 11.515 1.00 0.00 H new ATOM 627 N ALA A 43 -3.193 4.733 11.262 1.00 0.00 N ATOM 628 CA ALA A 43 -2.068 4.544 10.348 1.00 0.00 C ATOM 629 C ALA A 43 -1.640 3.085 10.289 1.00 0.00 C ATOM 630 O ALA A 43 -1.570 2.490 9.214 1.00 0.00 O ATOM 631 CB ALA A 43 -0.896 5.413 10.782 1.00 0.00 C ATOM 0 H ALA A 43 -3.158 5.607 11.786 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.390 4.840 9.350 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.061 5.267 10.096 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.196 6.461 10.770 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.590 5.134 11.790 1.00 0.00 H new ATOM 637 N ALA A 44 -1.357 2.515 11.452 1.00 0.00 N ATOM 638 CA ALA A 44 -0.932 1.126 11.533 1.00 0.00 C ATOM 639 C ALA A 44 -1.908 0.197 10.814 1.00 0.00 C ATOM 640 O ALA A 44 -1.508 -0.811 10.233 1.00 0.00 O ATOM 641 CB ALA A 44 -0.775 0.705 12.985 1.00 0.00 C ATOM 0 H ALA A 44 -1.414 2.993 12.351 1.00 0.00 H new ATOM 0 HA ALA A 44 0.033 1.045 11.033 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.457 -0.337 13.029 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.027 1.334 13.467 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.729 0.815 13.501 1.00 0.00 H new ATOM 647 N LYS A 45 -3.189 0.543 10.866 1.00 0.00 N ATOM 648 CA LYS A 45 -4.230 -0.258 10.230 1.00 0.00 C ATOM 649 C LYS A 45 -4.449 0.169 8.784 1.00 0.00 C ATOM 650 O LYS A 45 -4.438 -0.658 7.873 1.00 0.00 O ATOM 651 CB LYS A 45 -5.543 -0.130 11.006 1.00 0.00 C ATOM 652 CG LYS A 45 -5.369 -0.175 12.516 1.00 0.00 C ATOM 653 CD LYS A 45 -6.685 0.075 13.235 1.00 0.00 C ATOM 654 CE LYS A 45 -6.505 1.010 14.419 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.514 0.485 15.398 1.00 0.00 N ATOM 0 H LYS A 45 -3.533 1.376 11.344 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.902 -1.297 10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.026 0.808 10.733 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.214 -0.934 10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.972 -1.147 12.809 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.638 0.573 12.822 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.406 0.503 12.538 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.099 -0.873 13.579 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.180 1.988 14.063 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.464 1.155 14.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.556 1.049 16.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.734 -0.508 15.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.559 0.546 14.992 1.00 0.00 H new ATOM 669 N VAL A 46 -4.654 1.463 8.585 1.00 0.00 N ATOM 670 CA VAL A 46 -4.886 2.005 7.254 1.00 0.00 C ATOM 671 C VAL A 46 -3.684 1.783 6.348 1.00 0.00 C ATOM 672 O VAL A 46 -3.821 1.259 5.247 1.00 0.00 O ATOM 673 CB VAL A 46 -5.200 3.508 7.313 1.00 0.00 C ATOM 674 CG1 VAL A 46 -5.590 4.035 5.941 1.00 0.00 C ATOM 675 CG2 VAL A 46 -6.301 3.775 8.327 1.00 0.00 C ATOM 0 H VAL A 46 -4.664 2.159 9.331 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.745 1.475 6.842 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.301 4.036 7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.807 5.101 6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.768 3.876 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.475 3.506 5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.514 4.843 8.360 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.202 3.234 8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.977 3.440 9.312 1.00 0.00 H new ATOM 685 N THR A 47 -2.510 2.187 6.814 1.00 0.00 N ATOM 686 CA THR A 47 -1.285 2.036 6.036 1.00 0.00 C ATOM 687 C THR A 47 -1.016 0.572 5.696 1.00 0.00 C ATOM 688 O THR A 47 -0.713 0.238 4.551 1.00 0.00 O ATOM 689 CB THR A 47 -0.099 2.622 6.803 1.00 0.00 C ATOM 690 OG1 THR A 47 -0.300 4.003 7.050 1.00 0.00 O ATOM 691 CG2 THR A 47 1.221 2.473 6.077 1.00 0.00 C ATOM 0 H THR A 47 -2.379 2.622 7.727 1.00 0.00 H new ATOM 0 HA THR A 47 -1.414 2.580 5.100 1.00 0.00 H new ATOM 0 HB THR A 47 -0.047 2.055 7.732 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.799 4.117 7.886 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.018 2.910 6.678 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.429 1.416 5.913 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.168 2.986 5.117 1.00 0.00 H new ATOM 699 N GLY A 48 -1.102 -0.291 6.700 1.00 0.00 N ATOM 700 CA GLY A 48 -0.836 -1.701 6.493 1.00 0.00 C ATOM 701 C GLY A 48 -1.950 -2.401 5.755 1.00 0.00 C ATOM 702 O GLY A 48 -1.717 -3.059 4.741 1.00 0.00 O ATOM 0 H GLY A 48 -1.352 -0.039 7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.092 -1.813 5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.686 -2.184 7.459 1.00 0.00 H new ATOM 706 N MET A 49 -3.164 -2.265 6.266 1.00 0.00 N ATOM 707 CA MET A 49 -4.315 -2.897 5.648 1.00 0.00 C ATOM 708 C MET A 49 -4.636 -2.241 4.317 1.00 0.00 C ATOM 709 O MET A 49 -4.782 -2.932 3.314 1.00 0.00 O ATOM 710 CB MET A 49 -5.532 -2.826 6.570 1.00 0.00 C ATOM 711 CG MET A 49 -5.270 -3.362 7.966 1.00 0.00 C ATOM 712 SD MET A 49 -4.940 -5.138 7.981 1.00 0.00 S ATOM 713 CE MET A 49 -3.158 -5.162 7.794 1.00 0.00 C ATOM 0 H MET A 49 -3.375 -1.724 7.104 1.00 0.00 H new ATOM 0 HA MET A 49 -4.069 -3.944 5.473 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.861 -1.790 6.644 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.350 -3.389 6.121 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.420 -2.835 8.399 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.132 -3.151 8.599 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.735 -5.935 8.435 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.904 -5.373 6.755 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.749 -4.192 8.077 1.00 0.00 H new ATOM 723 N LEU A 50 -4.769 -0.906 4.334 1.00 0.00 N ATOM 724 CA LEU A 50 -5.111 -0.107 3.143 1.00 0.00 C ATOM 725 C LEU A 50 -5.832 -0.919 2.069 1.00 0.00 C ATOM 726 O LEU A 50 -7.000 -0.674 1.777 1.00 0.00 O ATOM 727 CB LEU A 50 -3.864 0.522 2.529 1.00 0.00 C ATOM 728 CG LEU A 50 -4.149 1.497 1.388 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.580 2.853 1.935 1.00 0.00 C ATOM 730 CD2 LEU A 50 -2.932 1.640 0.490 1.00 0.00 C ATOM 0 H LEU A 50 -4.642 -0.346 5.177 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.790 0.671 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.313 1.046 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.215 -0.272 2.159 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.968 1.096 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.778 3.533 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.485 2.734 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.786 3.263 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.155 2.338 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.091 2.016 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.675 0.668 0.068 1.00 0.00 H new ATOM 742 N LEU A 51 -5.125 -1.880 1.485 1.00 0.00 N ATOM 743 CA LEU A 51 -5.685 -2.729 0.443 1.00 0.00 C ATOM 744 C LEU A 51 -6.793 -3.624 0.989 1.00 0.00 C ATOM 745 O LEU A 51 -6.666 -4.849 1.014 1.00 0.00 O ATOM 746 CB LEU A 51 -4.578 -3.570 -0.195 1.00 0.00 C ATOM 747 CG LEU A 51 -3.408 -2.760 -0.769 1.00 0.00 C ATOM 748 CD1 LEU A 51 -2.117 -3.059 -0.017 1.00 0.00 C ATOM 749 CD2 LEU A 51 -3.240 -3.037 -2.258 1.00 0.00 C ATOM 0 H LEU A 51 -4.155 -2.091 1.719 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.128 -2.087 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.191 -4.263 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.012 -4.172 -0.994 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.636 -1.702 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.303 -2.472 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.240 -2.799 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.883 -4.120 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.405 -2.453 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.042 -4.098 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.153 -2.759 -2.785 1.00 0.00 H new ATOM 761 N GLU A 52 -7.885 -2.997 1.416 1.00 0.00 N ATOM 762 CA GLU A 52 -9.032 -3.720 1.952 1.00 0.00 C ATOM 763 C GLU A 52 -10.069 -3.949 0.857 1.00 0.00 C ATOM 764 O GLU A 52 -9.826 -3.644 -0.310 1.00 0.00 O ATOM 765 CB GLU A 52 -9.661 -2.941 3.112 1.00 0.00 C ATOM 766 CG GLU A 52 -8.674 -2.078 3.885 1.00 0.00 C ATOM 767 CD GLU A 52 -8.977 -2.033 5.369 1.00 0.00 C ATOM 768 OE1 GLU A 52 -9.075 -3.112 5.987 1.00 0.00 O ATOM 769 OE2 GLU A 52 -9.114 -0.917 5.914 1.00 0.00 O ATOM 0 H GLU A 52 -7.999 -1.984 1.401 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.689 -4.686 2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.455 -2.305 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.127 -3.647 3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.665 -2.463 3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.691 -1.065 3.484 1.00 0.00 H new ATOM 776 N MET A 53 -11.221 -4.492 1.231 1.00 0.00 N ATOM 777 CA MET A 53 -12.281 -4.765 0.266 1.00 0.00 C ATOM 778 C MET A 53 -12.854 -3.471 -0.312 1.00 0.00 C ATOM 779 O MET A 53 -12.780 -3.233 -1.518 1.00 0.00 O ATOM 780 CB MET A 53 -13.395 -5.577 0.924 1.00 0.00 C ATOM 781 CG MET A 53 -12.914 -6.873 1.553 1.00 0.00 C ATOM 782 SD MET A 53 -12.417 -8.096 0.324 1.00 0.00 S ATOM 783 CE MET A 53 -13.991 -8.442 -0.459 1.00 0.00 C ATOM 0 H MET A 53 -11.445 -4.751 2.192 1.00 0.00 H new ATOM 0 HA MET A 53 -11.848 -5.340 -0.552 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.874 -4.967 1.690 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.156 -5.806 0.178 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.072 -6.662 2.212 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.708 -7.288 2.173 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.949 -9.417 -0.945 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.779 -8.446 0.294 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.204 -7.674 -1.203 1.00 0.00 H new ATOM 793 N ASP A 54 -13.420 -2.633 0.551 1.00 0.00 N ATOM 794 CA ASP A 54 -14.002 -1.369 0.115 1.00 0.00 C ATOM 795 C ASP A 54 -12.996 -0.236 0.266 1.00 0.00 C ATOM 796 O ASP A 54 -12.469 0.275 -0.723 1.00 0.00 O ATOM 797 CB ASP A 54 -15.269 -1.062 0.916 1.00 0.00 C ATOM 798 CG ASP A 54 -15.846 0.307 0.608 1.00 0.00 C ATOM 799 OD1 ASP A 54 -15.352 1.303 1.178 1.00 0.00 O ATOM 800 OD2 ASP A 54 -16.791 0.383 -0.207 1.00 0.00 O ATOM 0 H ASP A 54 -13.488 -2.806 1.554 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.267 -1.458 -0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -16.020 -1.823 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.044 -1.124 1.981 1.00 0.00 H new ATOM 805 N ASN A 55 -12.730 0.151 1.513 1.00 0.00 N ATOM 806 CA ASN A 55 -11.781 1.223 1.802 1.00 0.00 C ATOM 807 C ASN A 55 -10.527 1.082 0.947 1.00 0.00 C ATOM 808 O ASN A 55 -9.876 2.069 0.609 1.00 0.00 O ATOM 809 CB ASN A 55 -11.409 1.212 3.287 1.00 0.00 C ATOM 810 CG ASN A 55 -10.391 2.281 3.663 1.00 0.00 C ATOM 811 OD1 ASN A 55 -9.665 2.135 4.645 1.00 0.00 O ATOM 812 ND2 ASN A 55 -10.333 3.362 2.890 1.00 0.00 N ATOM 0 H ASN A 55 -13.160 -0.263 2.340 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.256 2.174 1.561 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.312 1.355 3.881 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.009 0.232 3.547 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.669 4.107 3.103 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.952 3.446 2.084 1.00 0.00 H new ATOM 819 N GLY A 56 -10.203 -0.159 0.592 1.00 0.00 N ATOM 820 CA GLY A 56 -9.041 -0.412 -0.228 1.00 0.00 C ATOM 821 C GLY A 56 -9.250 0.009 -1.665 1.00 0.00 C ATOM 822 O GLY A 56 -8.514 0.841 -2.179 1.00 0.00 O ATOM 0 H GLY A 56 -10.728 -0.991 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.185 0.122 0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.800 -1.474 -0.194 1.00 0.00 H new ATOM 826 N GLU A 57 -10.246 -0.578 -2.327 1.00 0.00 N ATOM 827 CA GLU A 57 -10.533 -0.260 -3.729 1.00 0.00 C ATOM 828 C GLU A 57 -10.207 1.193 -4.067 1.00 0.00 C ATOM 829 O GLU A 57 -9.452 1.466 -5.001 1.00 0.00 O ATOM 830 CB GLU A 57 -11.994 -0.536 -4.047 1.00 0.00 C ATOM 831 CG GLU A 57 -12.361 -2.007 -3.965 1.00 0.00 C ATOM 832 CD GLU A 57 -12.322 -2.697 -5.316 1.00 0.00 C ATOM 833 OE1 GLU A 57 -12.631 -2.036 -6.329 1.00 0.00 O ATOM 834 OE2 GLU A 57 -11.982 -3.897 -5.358 1.00 0.00 O ATOM 0 H GLU A 57 -10.868 -1.275 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.894 -0.900 -4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.621 0.027 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.216 -0.169 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.675 -2.511 -3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.360 -2.105 -3.540 1.00 0.00 H new ATOM 841 N ILE A 58 -10.778 2.119 -3.305 1.00 0.00 N ATOM 842 CA ILE A 58 -10.542 3.540 -3.527 1.00 0.00 C ATOM 843 C ILE A 58 -9.052 3.858 -3.449 1.00 0.00 C ATOM 844 O ILE A 58 -8.534 4.636 -4.250 1.00 0.00 O ATOM 845 CB ILE A 58 -11.315 4.399 -2.503 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.822 4.202 -2.681 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.946 5.873 -2.638 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.326 4.580 -4.059 1.00 0.00 C ATOM 0 H ILE A 58 -11.407 1.911 -2.529 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.904 3.782 -4.526 1.00 0.00 H new ATOM 0 HB ILE A 58 -11.035 4.074 -1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -13.069 3.158 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -13.348 4.798 -1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.504 6.456 -1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.877 5.998 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -11.193 6.219 -3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.402 4.414 -4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.111 5.632 -4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.828 3.967 -4.810 1.00 0.00 H new ATOM 860 N LEU A 59 -8.373 3.250 -2.476 1.00 0.00 N ATOM 861 CA LEU A 59 -6.940 3.455 -2.280 1.00 0.00 C ATOM 862 C LEU A 59 -6.203 3.548 -3.611 1.00 0.00 C ATOM 863 O LEU A 59 -5.240 4.303 -3.748 1.00 0.00 O ATOM 864 CB LEU A 59 -6.365 2.309 -1.446 1.00 0.00 C ATOM 865 CG LEU A 59 -5.914 1.082 -2.245 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.493 1.263 -2.754 1.00 0.00 C ATOM 867 CD2 LEU A 59 -6.021 -0.168 -1.392 1.00 0.00 C ATOM 0 H LEU A 59 -8.797 2.607 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.802 4.399 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.514 2.686 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.117 1.995 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.571 0.971 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.193 0.380 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.447 2.140 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.818 1.399 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.698 -1.033 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.387 -0.063 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.056 -0.307 -1.079 1.00 0.00 H new ATOM 879 N ASN A 60 -6.662 2.770 -4.584 1.00 0.00 N ATOM 880 CA ASN A 60 -6.051 2.754 -5.911 1.00 0.00 C ATOM 881 C ASN A 60 -5.787 4.169 -6.420 1.00 0.00 C ATOM 882 O ASN A 60 -4.889 4.387 -7.233 1.00 0.00 O ATOM 883 CB ASN A 60 -6.952 2.007 -6.897 1.00 0.00 C ATOM 884 CG ASN A 60 -6.172 1.399 -8.044 1.00 0.00 C ATOM 885 OD1 ASN A 60 -5.206 0.667 -7.833 1.00 0.00 O ATOM 886 ND2 ASN A 60 -6.587 1.700 -9.269 1.00 0.00 N ATOM 0 H ASN A 60 -7.457 2.140 -4.480 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.094 2.238 -5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.490 1.220 -6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.700 2.693 -7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.100 1.320 -10.080 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.393 2.311 -9.399 1.00 0.00 H new ATOM 893 N LEU A 61 -6.576 5.127 -5.939 1.00 0.00 N ATOM 894 CA LEU A 61 -6.426 6.518 -6.351 1.00 0.00 C ATOM 895 C LEU A 61 -5.935 7.393 -5.200 1.00 0.00 C ATOM 896 O LEU A 61 -6.604 8.357 -4.828 1.00 0.00 O ATOM 897 CB LEU A 61 -7.761 7.055 -6.872 1.00 0.00 C ATOM 898 CG LEU A 61 -8.510 6.121 -7.823 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.891 5.792 -7.275 1.00 0.00 C ATOM 900 CD2 LEU A 61 -8.617 6.738 -9.211 1.00 0.00 C ATOM 0 H LEU A 61 -7.324 4.965 -5.265 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.680 6.552 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.405 7.273 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.580 8.000 -7.384 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.944 5.193 -7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.408 5.126 -7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.791 5.302 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.465 6.711 -7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.153 6.057 -9.872 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.157 7.683 -9.148 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.618 6.916 -9.608 1.00 0.00 H new ATOM 912 N LEU A 62 -4.773 7.044 -4.633 1.00 0.00 N ATOM 913 CA LEU A 62 -4.190 7.793 -3.509 1.00 0.00 C ATOM 914 C LEU A 62 -4.599 9.268 -3.536 1.00 0.00 C ATOM 915 O LEU A 62 -3.950 10.095 -4.176 1.00 0.00 O ATOM 916 CB LEU A 62 -2.664 7.679 -3.543 1.00 0.00 C ATOM 917 CG LEU A 62 -2.105 6.327 -3.113 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.891 5.962 -3.952 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.756 6.336 -1.633 1.00 0.00 C ATOM 0 H LEU A 62 -4.215 6.245 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.573 7.357 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.322 7.890 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.243 8.450 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.872 5.570 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.505 4.994 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.177 5.909 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.119 6.721 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.359 5.362 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.007 7.104 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.652 6.548 -1.049 1.00 0.00 H new ATOM 931 N ASP A 63 -5.691 9.579 -2.843 1.00 0.00 N ATOM 932 CA ASP A 63 -6.207 10.943 -2.789 1.00 0.00 C ATOM 933 C ASP A 63 -6.105 11.515 -1.380 1.00 0.00 C ATOM 934 O ASP A 63 -6.013 10.774 -0.403 1.00 0.00 O ATOM 935 CB ASP A 63 -7.663 10.978 -3.261 1.00 0.00 C ATOM 936 CG ASP A 63 -7.796 11.510 -4.676 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.976 12.365 -5.066 1.00 0.00 O ATOM 938 OD2 ASP A 63 -8.723 11.072 -5.389 1.00 0.00 O ATOM 0 H ASP A 63 -6.237 8.902 -2.310 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.599 11.558 -3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.083 9.973 -3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.247 11.601 -2.584 1.00 0.00 H new ATOM 943 N THR A 64 -6.129 12.837 -1.281 1.00 0.00 N ATOM 944 CA THR A 64 -6.038 13.495 0.014 1.00 0.00 C ATOM 945 C THR A 64 -7.347 13.357 0.783 1.00 0.00 C ATOM 946 O THR A 64 -7.358 12.873 1.907 1.00 0.00 O ATOM 947 CB THR A 64 -5.681 14.972 -0.155 1.00 0.00 C ATOM 948 OG1 THR A 64 -5.340 15.263 -1.500 1.00 0.00 O ATOM 949 CG2 THR A 64 -4.523 15.405 0.718 1.00 0.00 C ATOM 0 H THR A 64 -6.210 13.471 -2.076 1.00 0.00 H new ATOM 0 HA THR A 64 -5.247 13.008 0.584 1.00 0.00 H new ATOM 0 HB THR A 64 -6.573 15.521 0.147 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.117 16.214 -1.583 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.318 16.463 0.552 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.777 15.244 1.766 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.638 14.820 0.465 1.00 0.00 H new ATOM 957 N PRO A 65 -8.470 13.782 0.188 1.00 0.00 N ATOM 958 CA PRO A 65 -9.776 13.696 0.837 1.00 0.00 C ATOM 959 C PRO A 65 -10.355 12.280 0.824 1.00 0.00 C ATOM 960 O PRO A 65 -10.541 11.667 1.875 1.00 0.00 O ATOM 961 CB PRO A 65 -10.646 14.645 0.015 1.00 0.00 C ATOM 962 CG PRO A 65 -10.012 14.702 -1.336 1.00 0.00 C ATOM 963 CD PRO A 65 -8.551 14.376 -1.159 1.00 0.00 C ATOM 0 HA PRO A 65 -9.718 13.958 1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.671 14.281 -0.048 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.686 15.634 0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.485 13.991 -2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.134 15.691 -1.777 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.204 13.680 -1.922 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.932 15.270 -1.237 1.00 0.00 H new ATOM 971 N GLY A 66 -10.655 11.779 -0.372 1.00 0.00 N ATOM 972 CA GLY A 66 -11.229 10.454 -0.513 1.00 0.00 C ATOM 973 C GLY A 66 -10.529 9.413 0.326 1.00 0.00 C ATOM 974 O GLY A 66 -11.163 8.700 1.104 1.00 0.00 O ATOM 0 H GLY A 66 -10.509 12.273 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.282 10.489 -0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.187 10.156 -1.561 1.00 0.00 H new ATOM 978 N LEU A 67 -9.218 9.321 0.171 1.00 0.00 N ATOM 979 CA LEU A 67 -8.444 8.358 0.920 1.00 0.00 C ATOM 980 C LEU A 67 -8.485 8.674 2.413 1.00 0.00 C ATOM 981 O LEU A 67 -9.085 7.934 3.190 1.00 0.00 O ATOM 982 CB LEU A 67 -7.012 8.352 0.401 1.00 0.00 C ATOM 983 CG LEU A 67 -6.555 7.049 -0.258 1.00 0.00 C ATOM 984 CD1 LEU A 67 -6.247 5.991 0.789 1.00 0.00 C ATOM 985 CD2 LEU A 67 -7.610 6.550 -1.235 1.00 0.00 C ATOM 0 H LEU A 67 -8.673 9.902 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.875 7.366 0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.902 9.162 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.342 8.573 1.232 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.638 7.249 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.924 5.074 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.454 6.349 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.142 5.790 1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.270 5.622 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.543 6.369 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.773 7.300 -2.009 1.00 0.00 H new ATOM 997 N LEU A 68 -7.843 9.775 2.813 1.00 0.00 N ATOM 998 CA LEU A 68 -7.806 10.171 4.224 1.00 0.00 C ATOM 999 C LEU A 68 -9.179 10.043 4.867 1.00 0.00 C ATOM 1000 O LEU A 68 -9.288 9.682 6.036 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.291 11.603 4.378 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.823 11.728 4.788 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.912 11.219 3.680 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.490 13.171 5.133 1.00 0.00 C ATOM 0 H LEU A 68 -7.345 10.405 2.184 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.120 9.495 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.433 12.127 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.904 12.114 5.121 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.659 11.114 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.872 11.316 3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.134 10.171 3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.077 11.805 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.442 13.243 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.671 13.804 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.119 13.502 5.960 1.00 0.00 H new ATOM 1016 N ASP A 69 -10.224 10.334 4.100 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.585 10.241 4.609 1.00 0.00 C ATOM 1018 C ASP A 69 -11.941 8.791 4.918 1.00 0.00 C ATOM 1019 O ASP A 69 -12.224 8.441 6.060 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.569 10.823 3.594 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.998 10.818 4.099 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -14.204 11.088 5.302 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.911 10.541 3.294 1.00 0.00 O ATOM 0 H ASP A 69 -10.154 10.635 3.128 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.651 10.817 5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.276 11.845 3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.512 10.250 2.669 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.913 7.942 3.897 1.00 0.00 N ATOM 1029 CA ALA A 70 -12.223 6.529 4.077 1.00 0.00 C ATOM 1030 C ALA A 70 -11.119 5.815 4.858 1.00 0.00 C ATOM 1031 O ALA A 70 -11.272 4.656 5.241 1.00 0.00 O ATOM 1032 CB ALA A 70 -12.437 5.857 2.729 1.00 0.00 C ATOM 0 H ALA A 70 -11.680 8.206 2.940 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.144 6.459 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.668 4.803 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.266 6.339 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.531 5.948 2.129 1.00 0.00 H new ATOM 1038 N LYS A 71 -10.009 6.511 5.097 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.888 5.941 5.832 1.00 0.00 C ATOM 1040 C LYS A 71 -9.113 6.065 7.336 1.00 0.00 C ATOM 1041 O LYS A 71 -9.079 5.073 8.067 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.597 6.671 5.454 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.956 6.171 4.164 1.00 0.00 C ATOM 1044 CD LYS A 71 -5.504 6.628 4.044 1.00 0.00 C ATOM 1045 CE LYS A 71 -5.405 8.096 3.663 1.00 0.00 C ATOM 1046 NZ LYS A 71 -4.391 8.351 2.597 1.00 0.00 N ATOM 0 H LYS A 71 -9.864 7.473 4.790 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.806 4.886 5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.810 7.735 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.880 6.565 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.999 5.082 4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.525 6.536 3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.991 6.463 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.993 6.023 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.380 8.444 3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.150 8.680 4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.647 8.976 2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.968 7.449 2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.851 8.806 1.782 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.338 7.292 7.790 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.561 7.560 9.204 1.00 0.00 C ATOM 1062 C VAL A 72 -10.892 7.001 9.682 1.00 0.00 C ATOM 1063 O VAL A 72 -10.961 6.367 10.732 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.523 9.070 9.506 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.136 9.623 9.237 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.574 9.810 8.691 1.00 0.00 C ATOM 0 H VAL A 72 -9.371 8.120 7.196 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.752 7.063 9.738 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.754 9.220 10.561 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.122 10.691 9.454 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.412 9.114 9.873 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.877 9.462 8.191 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.529 10.875 8.920 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.383 9.659 7.628 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.564 9.427 8.940 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.949 7.253 8.921 1.00 0.00 N ATOM 1077 CA GLN A 73 -13.275 6.784 9.290 1.00 0.00 C ATOM 1078 C GLN A 73 -13.336 5.261 9.338 1.00 0.00 C ATOM 1079 O GLN A 73 -13.704 4.685 10.359 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.307 7.328 8.303 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.213 8.833 8.098 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.331 9.611 9.394 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -13.595 10.571 9.624 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -15.261 9.204 10.250 1.00 0.00 N ATOM 0 H GLN A 73 -11.913 7.778 8.047 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.501 7.153 10.290 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -14.178 6.829 7.342 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.306 7.079 8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.262 9.071 7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.000 9.152 7.415 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.850 8.404 10.020 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.386 9.692 11.137 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.972 4.610 8.239 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.993 3.150 8.182 1.00 0.00 C ATOM 1095 C GLU A 74 -12.100 2.547 9.255 1.00 0.00 C ATOM 1096 O GLU A 74 -12.438 1.533 9.862 1.00 0.00 O ATOM 1097 CB GLU A 74 -12.543 2.658 6.807 1.00 0.00 C ATOM 1098 CG GLU A 74 -12.518 1.140 6.683 1.00 0.00 C ATOM 1099 CD GLU A 74 -11.209 0.540 7.158 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -10.153 1.172 6.944 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -11.238 -0.564 7.742 1.00 0.00 O ATOM 0 H GLU A 74 -12.661 5.064 7.380 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.019 2.829 8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.210 3.066 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.547 3.048 6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.339 0.718 7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.686 0.861 5.643 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.950 3.175 9.472 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.993 2.701 10.458 1.00 0.00 C ATOM 1110 C ALA A 75 -10.447 3.001 11.883 1.00 0.00 C ATOM 1111 O ALA A 75 -10.349 2.147 12.760 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.636 3.312 10.189 1.00 0.00 C ATOM 0 H ALA A 75 -10.659 4.017 8.975 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.924 1.617 10.367 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.922 2.954 10.931 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.299 3.025 9.193 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.708 4.398 10.249 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.942 4.212 12.113 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.408 4.594 13.441 1.00 0.00 C ATOM 1120 C LEU A 76 -12.696 3.854 13.790 1.00 0.00 C ATOM 1121 O LEU A 76 -13.006 3.650 14.963 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.636 6.107 13.530 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.410 6.931 13.933 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -10.787 8.398 14.097 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -9.800 6.387 15.220 1.00 0.00 C ATOM 0 H LEU A 76 -11.031 4.940 11.404 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.635 4.318 14.158 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.990 6.462 12.562 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.433 6.296 14.249 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.665 6.853 13.141 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.905 8.971 14.384 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.178 8.781 13.154 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.549 8.494 14.871 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.930 6.985 15.491 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.538 6.435 16.021 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.496 5.351 15.069 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.443 3.452 12.764 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.694 2.733 12.971 1.00 0.00 C ATOM 1139 C GLU A 77 -14.443 1.238 13.132 1.00 0.00 C ATOM 1140 O GLU A 77 -15.175 0.550 13.844 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.654 2.982 11.805 1.00 0.00 C ATOM 1142 CG GLU A 77 -17.060 3.355 12.242 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.221 4.846 12.462 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.871 5.324 13.561 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -17.697 5.534 11.534 1.00 0.00 O ATOM 0 H GLU A 77 -13.204 3.612 11.786 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.149 3.106 13.888 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.253 3.780 11.180 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.701 2.086 11.186 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.772 3.023 11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.303 2.826 13.164 1.00 0.00 H new ATOM 1152 N VAL A 78 -13.403 0.736 12.472 1.00 0.00 N ATOM 1153 CA VAL A 78 -13.065 -0.678 12.555 1.00 0.00 C ATOM 1154 C VAL A 78 -12.060 -0.932 13.673 1.00 0.00 C ATOM 1155 O VAL A 78 -12.167 -1.914 14.407 1.00 0.00 O ATOM 1156 CB VAL A 78 -12.498 -1.208 11.218 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -11.064 -0.737 11.000 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -12.583 -2.727 11.168 1.00 0.00 C ATOM 0 H VAL A 78 -12.783 1.286 11.877 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.988 -1.215 12.774 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.106 -0.802 10.409 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.693 -1.126 10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.038 0.353 10.980 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.434 -1.100 11.812 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.180 -3.083 10.220 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.006 -3.151 11.990 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.624 -3.036 11.258 1.00 0.00 H new