USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 610 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 79 LYS NZ :NH3+ -120:sc= 1.05 (180deg=0) USER MOD Set 1.2: A 90 HIS :FLIP no HD1:sc= -2.02! F(o=-3.3,f=-0.97!) USER MOD Set 2.1: A 86 THR OG1 : rot -150:sc= -2.79 USER MOD Set 2.2: A 89 GLN : amide:sc= -0.242 K(o=-3,f=-4.2!) USER MOD Set 3.1: A 62 SER OG : rot 156:sc= 0.283 USER MOD Set 3.2: A 69 THR OG1 : rot 180:sc= -1.27 USER MOD Set 4.1: A 58 LYS NZ :NH3+ -145:sc= 0.922 (180deg=-1.05) USER MOD Set 4.2: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 38 LYS NZ :NH3+ -156:sc= 0.364 (180deg=0) USER MOD Set 5.2: A 97 THR OG1 : rot 180:sc= 0.421 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 171:sc= 1.17 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 52 SER OG : rot 175:sc= -1.13 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 56 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.046) USER MOD Single : A 67 SER OG : rot 180:sc=-0.00337 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.262 F(o=-0.95,f=-0.26) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : A 93 HIS :FLIP no HE2:sc= -0.222 F(o=-1.5,f=-0.22) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 6.521 -4.897 -11.501 1.00 0.00 N ATOM 381 CA LYS A 31 7.157 -4.282 -10.309 1.00 0.00 C ATOM 382 C LYS A 31 6.565 -2.884 -10.177 1.00 0.00 C ATOM 383 O LYS A 31 7.234 -1.888 -10.368 1.00 0.00 O ATOM 384 CB LYS A 31 8.653 -4.219 -10.628 1.00 0.00 C ATOM 385 CG LYS A 31 9.280 -5.604 -10.435 1.00 0.00 C ATOM 386 CD LYS A 31 10.430 -5.513 -9.430 1.00 0.00 C ATOM 387 CE LYS A 31 11.399 -6.677 -9.654 1.00 0.00 C ATOM 388 NZ LYS A 31 12.754 -6.093 -9.452 1.00 0.00 N ATOM 0 HA LYS A 31 6.996 -4.829 -9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.802 -3.881 -11.654 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.143 -3.493 -9.979 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.528 -6.308 -10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.647 -5.984 -11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.953 -4.564 -9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.040 -5.541 -8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.210 -7.489 -8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.293 -7.092 -10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.474 -6.831 -9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.908 -5.327 -10.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.828 -5.712 -8.487 1.00 0.00 H new ATOM 402 N ILE A 32 5.290 -2.813 -9.903 1.00 0.00 N ATOM 403 CA ILE A 32 4.615 -1.495 -9.816 1.00 0.00 C ATOM 404 C ILE A 32 5.276 -0.616 -8.746 1.00 0.00 C ATOM 405 O ILE A 32 5.386 -1.001 -7.599 1.00 0.00 O ATOM 406 CB ILE A 32 3.165 -1.815 -9.431 1.00 0.00 C ATOM 407 CG1 ILE A 32 2.469 -2.515 -10.604 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.417 -0.520 -9.098 1.00 0.00 C ATOM 409 CD1 ILE A 32 2.186 -3.972 -10.238 1.00 0.00 C ATOM 0 H ILE A 32 4.687 -3.619 -9.735 1.00 0.00 H new ATOM 0 HA ILE A 32 4.678 -0.943 -10.754 1.00 0.00 H new ATOM 0 HB ILE A 32 3.162 -2.468 -8.558 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.538 -2.003 -10.845 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.098 -2.469 -11.493 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.388 -0.754 -8.825 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.909 -0.020 -8.263 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.421 0.137 -9.968 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.691 -4.467 -11.073 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.125 -4.481 -10.019 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.540 -4.008 -9.361 1.00 0.00 H new ATOM 421 N ILE A 33 5.705 0.562 -9.113 1.00 0.00 N ATOM 422 CA ILE A 33 6.345 1.465 -8.112 1.00 0.00 C ATOM 423 C ILE A 33 5.403 2.628 -7.787 1.00 0.00 C ATOM 424 O ILE A 33 4.502 2.940 -8.542 1.00 0.00 O ATOM 425 CB ILE A 33 7.639 1.963 -8.761 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.315 2.823 -9.989 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.489 0.760 -9.181 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.615 3.226 -10.682 1.00 0.00 C ATOM 0 H ILE A 33 5.640 0.937 -10.059 1.00 0.00 H new ATOM 0 HA ILE A 33 6.557 0.954 -7.172 1.00 0.00 H new ATOM 0 HB ILE A 33 8.192 2.569 -8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.679 2.267 -10.678 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.759 3.711 -9.689 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.412 1.110 -9.644 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.728 0.160 -8.303 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.933 0.153 -9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.387 3.837 -11.555 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.234 3.797 -9.990 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.153 2.331 -10.996 1.00 0.00 H new ATOM 440 N LYS A 34 5.597 3.260 -6.661 1.00 0.00 N ATOM 441 CA LYS A 34 4.707 4.393 -6.277 1.00 0.00 C ATOM 442 C LYS A 34 5.328 5.729 -6.687 1.00 0.00 C ATOM 443 O LYS A 34 6.528 5.913 -6.629 1.00 0.00 O ATOM 444 CB LYS A 34 4.596 4.303 -4.755 1.00 0.00 C ATOM 445 CG LYS A 34 3.649 3.159 -4.375 1.00 0.00 C ATOM 446 CD LYS A 34 4.370 2.182 -3.442 1.00 0.00 C ATOM 447 CE LYS A 34 4.971 1.040 -4.262 1.00 0.00 C ATOM 448 NZ LYS A 34 3.998 -0.080 -4.132 1.00 0.00 N ATOM 0 H LYS A 34 6.334 3.041 -5.990 1.00 0.00 H new ATOM 0 HA LYS A 34 3.735 4.336 -6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.580 4.134 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.225 5.245 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.761 3.557 -3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.312 2.639 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.155 2.701 -2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.672 1.786 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.103 1.329 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.953 0.756 -3.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.341 -0.902 -4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.898 -0.338 -3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.075 0.217 -4.507 1.00 0.00 H new ATOM 462 N VAL A 35 4.516 6.667 -7.092 1.00 0.00 N ATOM 463 CA VAL A 35 5.048 7.999 -7.496 1.00 0.00 C ATOM 464 C VAL A 35 4.190 9.107 -6.877 1.00 0.00 C ATOM 465 O VAL A 35 3.030 9.264 -7.204 1.00 0.00 O ATOM 466 CB VAL A 35 4.963 8.022 -9.025 1.00 0.00 C ATOM 467 CG1 VAL A 35 3.508 7.853 -9.473 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.504 9.357 -9.544 1.00 0.00 C ATOM 0 H VAL A 35 3.503 6.567 -7.161 1.00 0.00 H new ATOM 0 HA VAL A 35 6.071 8.163 -7.156 1.00 0.00 H new ATOM 0 HB VAL A 35 5.557 7.202 -9.428 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.458 7.871 -10.562 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.123 6.901 -9.108 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.906 8.667 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.444 9.375 -10.632 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.910 10.174 -9.134 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.543 9.473 -9.236 1.00 0.00 H new ATOM 478 N THR A 36 4.750 9.871 -5.979 1.00 0.00 N ATOM 479 CA THR A 36 3.967 10.963 -5.331 1.00 0.00 C ATOM 480 C THR A 36 3.879 12.177 -6.258 1.00 0.00 C ATOM 481 O THR A 36 4.833 12.912 -6.426 1.00 0.00 O ATOM 482 CB THR A 36 4.747 11.311 -4.063 1.00 0.00 C ATOM 483 OG1 THR A 36 4.913 10.141 -3.275 1.00 0.00 O ATOM 484 CG2 THR A 36 3.979 12.364 -3.262 1.00 0.00 C ATOM 0 H THR A 36 5.717 9.786 -5.665 1.00 0.00 H new ATOM 0 HA THR A 36 2.943 10.660 -5.110 1.00 0.00 H new ATOM 0 HB THR A 36 5.725 11.708 -4.335 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.414 10.362 -2.463 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.536 12.611 -2.358 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.853 13.261 -3.868 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.000 11.971 -2.989 1.00 0.00 H new ATOM 492 N VAL A 37 2.739 12.393 -6.860 1.00 0.00 N ATOM 493 CA VAL A 37 2.588 13.562 -7.775 1.00 0.00 C ATOM 494 C VAL A 37 1.955 14.734 -7.024 1.00 0.00 C ATOM 495 O VAL A 37 0.919 14.598 -6.400 1.00 0.00 O ATOM 496 CB VAL A 37 1.665 13.077 -8.895 1.00 0.00 C ATOM 497 CG1 VAL A 37 1.455 14.204 -9.908 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.301 11.876 -9.598 1.00 0.00 C ATOM 0 H VAL A 37 1.907 11.811 -6.758 1.00 0.00 H new ATOM 0 HA VAL A 37 3.545 13.911 -8.164 1.00 0.00 H new ATOM 0 HB VAL A 37 0.705 12.784 -8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.798 13.858 -10.706 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.002 15.061 -9.410 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.416 14.497 -10.331 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.643 11.531 -10.396 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.262 12.169 -10.021 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.452 11.071 -8.879 1.00 0.00 H new ATOM 508 N LYS A 38 2.567 15.888 -7.078 1.00 0.00 N ATOM 509 CA LYS A 38 1.999 17.069 -6.367 1.00 0.00 C ATOM 510 C LYS A 38 1.530 18.117 -7.379 1.00 0.00 C ATOM 511 O LYS A 38 2.296 18.595 -8.191 1.00 0.00 O ATOM 512 CB LYS A 38 3.151 17.615 -5.524 1.00 0.00 C ATOM 513 CG LYS A 38 3.430 16.662 -4.359 1.00 0.00 C ATOM 514 CD LYS A 38 3.830 17.471 -3.123 1.00 0.00 C ATOM 515 CE LYS A 38 5.230 18.059 -3.324 1.00 0.00 C ATOM 516 NZ LYS A 38 6.094 17.348 -2.340 1.00 0.00 N ATOM 0 H LYS A 38 3.435 16.063 -7.584 1.00 0.00 H new ATOM 0 HA LYS A 38 1.135 16.808 -5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.044 17.726 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.900 18.606 -5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.544 16.064 -4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.227 15.968 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.110 18.271 -2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.816 16.834 -2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.581 17.901 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.235 19.135 -3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.924 17.934 -2.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.554 17.171 -1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.407 16.442 -2.744 1.00 0.00 H new ATOM 530 N THR A 39 0.277 18.479 -7.330 1.00 0.00 N ATOM 531 CA THR A 39 -0.250 19.496 -8.283 1.00 0.00 C ATOM 532 C THR A 39 -0.849 20.676 -7.507 1.00 0.00 C ATOM 533 O THR A 39 -1.073 20.576 -6.318 1.00 0.00 O ATOM 534 CB THR A 39 -1.335 18.763 -9.077 1.00 0.00 C ATOM 535 OG1 THR A 39 -2.180 18.060 -8.176 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.683 17.773 -10.045 1.00 0.00 C ATOM 0 H THR A 39 -0.407 18.112 -6.668 1.00 0.00 H new ATOM 0 HA THR A 39 0.524 19.903 -8.934 1.00 0.00 H new ATOM 0 HB THR A 39 -1.923 19.485 -9.643 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.957 17.710 -8.661 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.457 17.252 -10.609 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.033 18.312 -10.734 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.094 17.048 -9.483 1.00 0.00 H new ATOM 544 N PRO A 40 -1.090 21.759 -8.202 1.00 0.00 N ATOM 545 CA PRO A 40 -1.672 22.960 -7.550 1.00 0.00 C ATOM 546 C PRO A 40 -3.137 22.709 -7.176 1.00 0.00 C ATOM 547 O PRO A 40 -4.032 23.383 -7.647 1.00 0.00 O ATOM 548 CB PRO A 40 -1.555 24.043 -8.620 1.00 0.00 C ATOM 549 CG PRO A 40 -1.514 23.300 -9.916 1.00 0.00 C ATOM 550 CD PRO A 40 -0.854 21.974 -9.637 1.00 0.00 C ATOM 0 HA PRO A 40 -1.168 23.232 -6.623 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.402 24.728 -8.584 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.655 24.642 -8.479 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.520 23.156 -10.311 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.955 23.860 -10.665 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.290 21.176 -10.238 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.211 22.001 -9.867 1.00 0.00 H new ATOM 558 N LYS A 41 -3.383 21.742 -6.331 1.00 0.00 N ATOM 559 CA LYS A 41 -4.785 21.434 -5.917 1.00 0.00 C ATOM 560 C LYS A 41 -4.781 20.340 -4.847 1.00 0.00 C ATOM 561 O LYS A 41 -5.509 20.405 -3.875 1.00 0.00 O ATOM 562 CB LYS A 41 -5.482 20.934 -7.186 1.00 0.00 C ATOM 563 CG LYS A 41 -6.966 21.310 -7.134 1.00 0.00 C ATOM 564 CD LYS A 41 -7.710 20.343 -6.206 1.00 0.00 C ATOM 565 CE LYS A 41 -8.795 19.604 -6.994 1.00 0.00 C ATOM 566 NZ LYS A 41 -10.061 20.316 -6.662 1.00 0.00 N ATOM 0 H LYS A 41 -2.669 21.149 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.290 22.302 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.015 21.373 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.372 19.853 -7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.080 22.333 -6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.396 21.273 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.010 19.628 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.158 20.891 -5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.595 19.633 -8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.845 18.554 -6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.853 19.868 -7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.229 20.266 -5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.986 21.312 -6.952 1.00 0.00 H new ATOM 580 N GLU A 42 -3.962 19.335 -5.019 1.00 0.00 N ATOM 581 CA GLU A 42 -3.902 18.232 -4.015 1.00 0.00 C ATOM 582 C GLU A 42 -2.702 17.322 -4.305 1.00 0.00 C ATOM 583 O GLU A 42 -2.099 17.393 -5.357 1.00 0.00 O ATOM 584 CB GLU A 42 -5.216 17.462 -4.184 1.00 0.00 C ATOM 585 CG GLU A 42 -5.351 16.980 -5.631 1.00 0.00 C ATOM 586 CD GLU A 42 -6.449 15.918 -5.715 1.00 0.00 C ATOM 587 OE1 GLU A 42 -6.503 15.079 -4.832 1.00 0.00 O ATOM 588 OE2 GLU A 42 -7.217 15.964 -6.662 1.00 0.00 O ATOM 0 H GLU A 42 -3.331 19.231 -5.813 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.781 18.605 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.240 16.611 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.059 18.102 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.591 17.819 -6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.404 16.567 -5.978 1.00 0.00 H new ATOM 595 N LYS A 43 -2.354 16.468 -3.378 1.00 0.00 N ATOM 596 CA LYS A 43 -1.193 15.554 -3.598 1.00 0.00 C ATOM 597 C LYS A 43 -1.637 14.092 -3.476 1.00 0.00 C ATOM 598 O LYS A 43 -2.105 13.658 -2.442 1.00 0.00 O ATOM 599 CB LYS A 43 -0.181 15.907 -2.500 1.00 0.00 C ATOM 600 CG LYS A 43 -0.875 15.935 -1.132 1.00 0.00 C ATOM 601 CD LYS A 43 0.024 15.271 -0.084 1.00 0.00 C ATOM 602 CE LYS A 43 0.745 16.348 0.730 1.00 0.00 C ATOM 603 NZ LYS A 43 2.059 16.528 0.051 1.00 0.00 N ATOM 0 H LYS A 43 -2.823 16.364 -2.478 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.763 15.672 -4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.628 15.176 -2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.269 16.878 -2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.089 16.964 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.831 15.414 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.573 14.641 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.751 14.622 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.177 17.278 0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.875 16.038 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.612 17.252 0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.580 15.628 0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.903 16.830 -0.932 1.00 0.00 H new ATOM 617 N GLU A 44 -1.497 13.331 -4.529 1.00 0.00 N ATOM 618 CA GLU A 44 -1.915 11.898 -4.478 1.00 0.00 C ATOM 619 C GLU A 44 -0.850 11.004 -5.120 1.00 0.00 C ATOM 620 O GLU A 44 -0.330 11.303 -6.179 1.00 0.00 O ATOM 621 CB GLU A 44 -3.218 11.836 -5.279 1.00 0.00 C ATOM 622 CG GLU A 44 -4.387 11.531 -4.339 1.00 0.00 C ATOM 623 CD GLU A 44 -5.416 10.666 -5.068 1.00 0.00 C ATOM 624 OE1 GLU A 44 -5.142 9.494 -5.267 1.00 0.00 O ATOM 625 OE2 GLU A 44 -6.462 11.189 -5.415 1.00 0.00 O ATOM 0 H GLU A 44 -1.112 13.639 -5.422 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.045 11.547 -3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.387 12.784 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.147 11.067 -6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.027 11.014 -3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.849 12.459 -4.003 1.00 0.00 H new ATOM 632 N GLU A 45 -0.528 9.904 -4.492 1.00 0.00 N ATOM 633 CA GLU A 45 0.494 8.983 -5.071 1.00 0.00 C ATOM 634 C GLU A 45 -0.125 8.185 -6.221 1.00 0.00 C ATOM 635 O GLU A 45 -1.311 7.918 -6.233 1.00 0.00 O ATOM 636 CB GLU A 45 0.892 8.053 -3.924 1.00 0.00 C ATOM 637 CG GLU A 45 2.134 8.606 -3.223 1.00 0.00 C ATOM 638 CD GLU A 45 2.064 8.286 -1.730 1.00 0.00 C ATOM 639 OE1 GLU A 45 2.254 7.131 -1.382 1.00 0.00 O ATOM 640 OE2 GLU A 45 1.820 9.199 -0.958 1.00 0.00 O ATOM 0 H GLU A 45 -0.928 9.603 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 45 1.356 9.516 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.070 7.963 -3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.093 7.052 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.034 8.170 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.199 9.684 -3.372 1.00 0.00 H new ATOM 647 N PHE A 46 0.663 7.807 -7.191 1.00 0.00 N ATOM 648 CA PHE A 46 0.111 7.032 -8.340 1.00 0.00 C ATOM 649 C PHE A 46 0.805 5.671 -8.453 1.00 0.00 C ATOM 650 O PHE A 46 1.956 5.580 -8.833 1.00 0.00 O ATOM 651 CB PHE A 46 0.407 7.888 -9.574 1.00 0.00 C ATOM 652 CG PHE A 46 -0.854 8.588 -10.021 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.200 9.827 -9.467 1.00 0.00 C ATOM 654 CD2 PHE A 46 -1.675 7.999 -10.990 1.00 0.00 C ATOM 655 CE1 PHE A 46 -2.369 10.476 -9.883 1.00 0.00 C ATOM 656 CE2 PHE A 46 -2.844 8.650 -11.406 1.00 0.00 C ATOM 657 CZ PHE A 46 -3.190 9.888 -10.852 1.00 0.00 C ATOM 0 H PHE A 46 1.663 8.001 -7.238 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.954 6.833 -8.225 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.179 8.622 -9.343 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.792 7.262 -10.379 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.566 10.281 -8.720 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.408 7.044 -11.417 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.637 11.431 -9.456 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.478 8.197 -12.154 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.091 10.390 -11.172 1.00 0.00 H new ATOM 667 N ALA A 47 0.109 4.613 -8.135 1.00 0.00 N ATOM 668 CA ALA A 47 0.722 3.257 -8.234 1.00 0.00 C ATOM 669 C ALA A 47 0.635 2.761 -9.680 1.00 0.00 C ATOM 670 O ALA A 47 -0.421 2.386 -10.151 1.00 0.00 O ATOM 671 CB ALA A 47 -0.113 2.371 -7.309 1.00 0.00 C ATOM 0 H ALA A 47 -0.858 4.629 -7.811 1.00 0.00 H new ATOM 0 HA ALA A 47 1.774 3.251 -7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.278 1.354 -7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.064 2.759 -6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.149 2.367 -7.647 1.00 0.00 H new ATOM 677 N VAL A 48 1.730 2.771 -10.390 1.00 0.00 N ATOM 678 CA VAL A 48 1.701 2.315 -11.811 1.00 0.00 C ATOM 679 C VAL A 48 2.836 1.323 -12.085 1.00 0.00 C ATOM 680 O VAL A 48 3.830 1.311 -11.386 1.00 0.00 O ATOM 681 CB VAL A 48 1.885 3.588 -12.640 1.00 0.00 C ATOM 682 CG1 VAL A 48 0.718 4.542 -12.376 1.00 0.00 C ATOM 683 CG2 VAL A 48 3.198 4.275 -12.250 1.00 0.00 C ATOM 0 H VAL A 48 2.642 3.074 -10.049 1.00 0.00 H new ATOM 0 HA VAL A 48 0.773 1.798 -12.055 1.00 0.00 H new ATOM 0 HB VAL A 48 1.913 3.326 -13.698 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.849 5.449 -12.966 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.218 4.058 -12.656 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.691 4.799 -11.317 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.325 5.181 -12.843 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.172 4.535 -11.192 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.032 3.599 -12.438 1.00 0.00 H new ATOM 693 N PRO A 49 2.651 0.519 -13.102 1.00 0.00 N ATOM 694 CA PRO A 49 3.677 -0.485 -13.471 1.00 0.00 C ATOM 695 C PRO A 49 4.912 0.215 -14.039 1.00 0.00 C ATOM 696 O PRO A 49 4.890 0.744 -15.134 1.00 0.00 O ATOM 697 CB PRO A 49 2.986 -1.335 -14.534 1.00 0.00 C ATOM 698 CG PRO A 49 1.933 -0.446 -15.109 1.00 0.00 C ATOM 699 CD PRO A 49 1.488 0.471 -14.000 1.00 0.00 C ATOM 0 HA PRO A 49 4.024 -1.081 -12.627 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.690 -1.660 -15.300 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.550 -2.234 -14.099 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.326 0.126 -15.950 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.095 -1.032 -15.486 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.232 1.461 -14.377 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.605 0.085 -13.491 1.00 0.00 H new ATOM 707 N GLU A 50 5.986 0.229 -13.296 1.00 0.00 N ATOM 708 CA GLU A 50 7.229 0.901 -13.776 1.00 0.00 C ATOM 709 C GLU A 50 7.600 0.416 -15.184 1.00 0.00 C ATOM 710 O GLU A 50 8.255 1.110 -15.936 1.00 0.00 O ATOM 711 CB GLU A 50 8.304 0.508 -12.756 1.00 0.00 C ATOM 712 CG GLU A 50 8.606 -0.991 -12.861 1.00 0.00 C ATOM 713 CD GLU A 50 9.814 -1.332 -11.988 1.00 0.00 C ATOM 714 OE1 GLU A 50 9.796 -0.981 -10.820 1.00 0.00 O ATOM 715 OE2 GLU A 50 10.739 -1.938 -12.502 1.00 0.00 O ATOM 0 H GLU A 50 6.056 -0.198 -12.372 1.00 0.00 H new ATOM 0 HA GLU A 50 7.113 1.982 -13.849 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.213 1.083 -12.934 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.966 0.749 -11.748 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.739 -1.570 -12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.806 -1.260 -13.898 1.00 0.00 H new ATOM 722 N ASN A 51 7.184 -0.770 -15.542 1.00 0.00 N ATOM 723 CA ASN A 51 7.513 -1.303 -16.900 1.00 0.00 C ATOM 724 C ASN A 51 7.083 -0.310 -17.987 1.00 0.00 C ATOM 725 O ASN A 51 7.607 -0.313 -19.083 1.00 0.00 O ATOM 726 CB ASN A 51 6.717 -2.602 -17.021 1.00 0.00 C ATOM 727 CG ASN A 51 7.063 -3.292 -18.342 1.00 0.00 C ATOM 728 OD1 ASN A 51 8.212 -3.577 -18.608 1.00 0.00 O ATOM 729 ND2 ASN A 51 6.108 -3.572 -19.187 1.00 0.00 N ATOM 0 H ASN A 51 6.631 -1.394 -14.954 1.00 0.00 H new ATOM 0 HA ASN A 51 8.584 -1.464 -17.026 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.946 -3.261 -16.183 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.648 -2.391 -16.978 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.328 -4.031 -20.071 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.142 -3.332 -18.963 1.00 0.00 H new ATOM 736 N SER A 52 6.131 0.536 -17.692 1.00 0.00 N ATOM 737 CA SER A 52 5.667 1.524 -18.710 1.00 0.00 C ATOM 738 C SER A 52 6.558 2.770 -18.692 1.00 0.00 C ATOM 739 O SER A 52 6.965 3.240 -17.647 1.00 0.00 O ATOM 740 CB SER A 52 4.241 1.880 -18.292 1.00 0.00 C ATOM 741 OG SER A 52 3.704 2.820 -19.213 1.00 0.00 O ATOM 0 H SER A 52 5.655 0.585 -16.791 1.00 0.00 H new ATOM 0 HA SER A 52 5.710 1.122 -19.722 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.622 0.983 -18.267 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.238 2.297 -17.285 1.00 0.00 H new ATOM 0 HG SER A 52 2.763 2.989 -18.996 1.00 0.00 H new ATOM 747 N SER A 53 6.856 3.310 -19.843 1.00 0.00 N ATOM 748 CA SER A 53 7.715 4.530 -19.905 1.00 0.00 C ATOM 749 C SER A 53 6.941 5.739 -19.374 1.00 0.00 C ATOM 750 O SER A 53 5.754 5.660 -19.123 1.00 0.00 O ATOM 751 CB SER A 53 8.033 4.713 -21.387 1.00 0.00 C ATOM 752 OG SER A 53 8.846 3.634 -21.831 1.00 0.00 O ATOM 0 H SER A 53 6.541 2.958 -20.747 1.00 0.00 H new ATOM 0 HA SER A 53 8.618 4.434 -19.302 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.111 4.751 -21.967 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.548 5.660 -21.546 1.00 0.00 H new ATOM 0 HG SER A 53 9.050 3.748 -22.783 1.00 0.00 H new ATOM 758 N VAL A 54 7.596 6.859 -19.204 1.00 0.00 N ATOM 759 CA VAL A 54 6.875 8.059 -18.693 1.00 0.00 C ATOM 760 C VAL A 54 5.855 8.544 -19.718 1.00 0.00 C ATOM 761 O VAL A 54 4.805 9.011 -19.362 1.00 0.00 O ATOM 762 CB VAL A 54 7.927 9.137 -18.451 1.00 0.00 C ATOM 763 CG1 VAL A 54 7.236 10.389 -17.888 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.962 8.627 -17.442 1.00 0.00 C ATOM 0 H VAL A 54 8.589 6.992 -19.395 1.00 0.00 H new ATOM 0 HA VAL A 54 6.335 7.824 -17.776 1.00 0.00 H new ATOM 0 HB VAL A 54 8.429 9.380 -19.388 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.979 11.166 -17.711 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.497 10.750 -18.604 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.741 10.140 -16.949 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.713 9.398 -17.270 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.466 8.387 -16.501 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.444 7.732 -17.836 1.00 0.00 H new ATOM 774 N GLN A 55 6.154 8.448 -20.984 1.00 0.00 N ATOM 775 CA GLN A 55 5.181 8.928 -22.016 1.00 0.00 C ATOM 776 C GLN A 55 3.780 8.377 -21.717 1.00 0.00 C ATOM 777 O GLN A 55 2.792 9.083 -21.804 1.00 0.00 O ATOM 778 CB GLN A 55 5.704 8.377 -23.345 1.00 0.00 C ATOM 779 CG GLN A 55 5.789 9.510 -24.372 1.00 0.00 C ATOM 780 CD GLN A 55 6.279 8.951 -25.710 1.00 0.00 C ATOM 781 OE1 GLN A 55 5.772 7.956 -26.188 1.00 0.00 O ATOM 782 NE2 GLN A 55 7.252 9.553 -26.337 1.00 0.00 N ATOM 0 H GLN A 55 7.023 8.061 -21.351 1.00 0.00 H new ATOM 0 HA GLN A 55 5.099 10.015 -22.033 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.687 7.927 -23.202 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.043 7.591 -23.710 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.812 9.976 -24.497 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.469 10.285 -24.019 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.678 10.389 -25.936 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.587 9.188 -27.229 1.00 0.00 H new ATOM 791 N GLN A 56 3.692 7.126 -21.356 1.00 0.00 N ATOM 792 CA GLN A 56 2.361 6.526 -21.042 1.00 0.00 C ATOM 793 C GLN A 56 1.808 7.095 -19.727 1.00 0.00 C ATOM 794 O GLN A 56 0.652 7.461 -19.637 1.00 0.00 O ATOM 795 CB GLN A 56 2.631 5.028 -20.904 1.00 0.00 C ATOM 796 CG GLN A 56 1.308 4.264 -20.955 1.00 0.00 C ATOM 797 CD GLN A 56 0.687 4.407 -22.347 1.00 0.00 C ATOM 798 OE1 GLN A 56 -0.462 4.778 -22.477 1.00 0.00 O ATOM 799 NE2 GLN A 56 1.406 4.127 -23.399 1.00 0.00 N ATOM 0 H GLN A 56 4.485 6.491 -21.264 1.00 0.00 H new ATOM 0 HA GLN A 56 1.621 6.743 -21.812 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.289 4.691 -21.705 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.144 4.825 -19.964 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.475 3.211 -20.726 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.624 4.650 -20.199 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.371 3.815 -23.289 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.003 4.220 -24.331 1.00 0.00 H new ATOM 808 N PHE A 57 2.623 7.164 -18.705 1.00 0.00 N ATOM 809 CA PHE A 57 2.145 7.699 -17.390 1.00 0.00 C ATOM 810 C PHE A 57 1.888 9.209 -17.482 1.00 0.00 C ATOM 811 O PHE A 57 0.948 9.725 -16.906 1.00 0.00 O ATOM 812 CB PHE A 57 3.284 7.406 -16.409 1.00 0.00 C ATOM 813 CG PHE A 57 2.950 7.984 -15.052 1.00 0.00 C ATOM 814 CD1 PHE A 57 1.965 7.383 -14.259 1.00 0.00 C ATOM 815 CD2 PHE A 57 3.624 9.120 -14.590 1.00 0.00 C ATOM 816 CE1 PHE A 57 1.655 7.920 -13.004 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.313 9.656 -13.335 1.00 0.00 C ATOM 818 CZ PHE A 57 2.329 9.056 -12.542 1.00 0.00 C ATOM 0 H PHE A 57 3.600 6.873 -18.723 1.00 0.00 H new ATOM 0 HA PHE A 57 1.206 7.242 -17.078 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.440 6.330 -16.328 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.215 7.836 -16.779 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.445 6.506 -14.615 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.384 9.583 -15.202 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.895 7.457 -12.392 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.833 10.533 -12.979 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.090 9.469 -11.573 1.00 0.00 H new ATOM 828 N LYS A 58 2.720 9.916 -18.195 1.00 0.00 N ATOM 829 CA LYS A 58 2.541 11.390 -18.325 1.00 0.00 C ATOM 830 C LYS A 58 1.159 11.691 -18.905 1.00 0.00 C ATOM 831 O LYS A 58 0.445 12.551 -18.425 1.00 0.00 O ATOM 832 CB LYS A 58 3.636 11.847 -19.294 1.00 0.00 C ATOM 833 CG LYS A 58 4.317 13.107 -18.749 1.00 0.00 C ATOM 834 CD LYS A 58 4.149 14.258 -19.744 1.00 0.00 C ATOM 835 CE LYS A 58 5.453 14.463 -20.519 1.00 0.00 C ATOM 836 NZ LYS A 58 5.143 15.522 -21.518 1.00 0.00 N ATOM 0 H LYS A 58 3.522 9.534 -18.697 1.00 0.00 H new ATOM 0 HA LYS A 58 2.613 11.902 -17.366 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.371 11.053 -19.427 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.205 12.050 -20.275 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.883 13.379 -17.787 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.376 12.914 -18.577 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.335 14.039 -20.435 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.881 15.173 -19.215 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.262 14.770 -19.856 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.772 13.542 -21.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.666 15.334 -22.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.122 15.524 -21.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.424 16.449 -21.140 1.00 0.00 H new ATOM 850 N GLU A 59 0.773 10.977 -19.928 1.00 0.00 N ATOM 851 CA GLU A 59 -0.569 11.205 -20.537 1.00 0.00 C ATOM 852 C GLU A 59 -1.659 10.621 -19.631 1.00 0.00 C ATOM 853 O GLU A 59 -2.824 10.946 -19.759 1.00 0.00 O ATOM 854 CB GLU A 59 -0.531 10.468 -21.876 1.00 0.00 C ATOM 855 CG GLU A 59 -1.776 10.824 -22.691 1.00 0.00 C ATOM 856 CD GLU A 59 -1.469 10.680 -24.183 1.00 0.00 C ATOM 857 OE1 GLU A 59 -0.357 11.000 -24.573 1.00 0.00 O ATOM 858 OE2 GLU A 59 -2.350 10.253 -24.912 1.00 0.00 O ATOM 0 H GLU A 59 1.330 10.245 -20.369 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.792 12.264 -20.666 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.368 10.741 -22.428 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.488 9.392 -21.710 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.603 10.171 -22.415 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.088 11.845 -22.470 1.00 0.00 H new ATOM 865 N ALA A 60 -1.289 9.765 -18.713 1.00 0.00 N ATOM 866 CA ALA A 60 -2.301 9.163 -17.796 1.00 0.00 C ATOM 867 C ALA A 60 -2.876 10.240 -16.875 1.00 0.00 C ATOM 868 O ALA A 60 -4.072 10.318 -16.668 1.00 0.00 O ATOM 869 CB ALA A 60 -1.533 8.117 -16.987 1.00 0.00 C ATOM 0 H ALA A 60 -0.329 9.457 -18.559 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.139 8.721 -18.335 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.211 7.628 -16.287 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.111 7.373 -17.662 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.729 8.603 -16.434 1.00 0.00 H new ATOM 875 N ILE A 61 -2.035 11.076 -16.325 1.00 0.00 N ATOM 876 CA ILE A 61 -2.537 12.154 -15.422 1.00 0.00 C ATOM 877 C ILE A 61 -3.490 13.073 -16.196 1.00 0.00 C ATOM 878 O ILE A 61 -4.484 13.535 -15.674 1.00 0.00 O ATOM 879 CB ILE A 61 -1.273 12.906 -14.965 1.00 0.00 C ATOM 880 CG1 ILE A 61 -0.768 12.290 -13.657 1.00 0.00 C ATOM 881 CG2 ILE A 61 -1.580 14.392 -14.738 1.00 0.00 C ATOM 882 CD1 ILE A 61 0.505 13.010 -13.205 1.00 0.00 C ATOM 0 H ILE A 61 -1.024 11.059 -16.461 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.098 11.771 -14.570 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.513 12.820 -15.741 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.535 12.369 -12.887 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.566 11.228 -13.798 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.674 14.906 -14.416 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.938 14.836 -15.667 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.347 14.492 -13.970 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.861 12.569 -12.274 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.273 12.908 -13.972 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.289 14.067 -13.047 1.00 0.00 H new ATOM 894 N SER A 62 -3.191 13.341 -17.437 1.00 0.00 N ATOM 895 CA SER A 62 -4.074 14.232 -18.245 1.00 0.00 C ATOM 896 C SER A 62 -5.522 13.728 -18.223 1.00 0.00 C ATOM 897 O SER A 62 -6.447 14.491 -18.037 1.00 0.00 O ATOM 898 CB SER A 62 -3.512 14.167 -19.664 1.00 0.00 C ATOM 899 OG SER A 62 -4.368 14.885 -20.542 1.00 0.00 O ATOM 0 H SER A 62 -2.372 12.982 -17.928 1.00 0.00 H new ATOM 0 HA SER A 62 -4.090 15.249 -17.853 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.508 14.591 -19.689 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.428 13.129 -19.987 1.00 0.00 H new ATOM 0 HG SER A 62 -3.860 15.176 -21.328 1.00 0.00 H new ATOM 905 N LYS A 63 -5.726 12.455 -18.425 1.00 0.00 N ATOM 906 CA LYS A 63 -7.120 11.915 -18.429 1.00 0.00 C ATOM 907 C LYS A 63 -7.753 11.986 -17.033 1.00 0.00 C ATOM 908 O LYS A 63 -8.823 12.535 -16.860 1.00 0.00 O ATOM 909 CB LYS A 63 -6.978 10.459 -18.876 1.00 0.00 C ATOM 910 CG LYS A 63 -8.366 9.826 -19.000 1.00 0.00 C ATOM 911 CD LYS A 63 -9.050 10.337 -20.270 1.00 0.00 C ATOM 912 CE LYS A 63 -10.521 9.914 -20.264 1.00 0.00 C ATOM 913 NZ LYS A 63 -11.235 11.017 -19.564 1.00 0.00 N ATOM 0 H LYS A 63 -4.992 11.766 -18.587 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.770 12.492 -19.087 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.457 10.410 -19.832 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.376 9.904 -18.157 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.280 8.740 -19.033 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.969 10.072 -18.126 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.973 11.423 -20.325 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.549 9.937 -21.152 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.898 9.781 -21.278 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.657 8.964 -19.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.251 10.800 -19.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.860 11.116 -18.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.093 11.907 -20.083 1.00 0.00 H new ATOM 927 N ARG A 64 -7.113 11.424 -16.040 1.00 0.00 N ATOM 928 CA ARG A 64 -7.700 11.452 -14.664 1.00 0.00 C ATOM 929 C ARG A 64 -7.607 12.854 -14.050 1.00 0.00 C ATOM 930 O ARG A 64 -8.592 13.416 -13.612 1.00 0.00 O ATOM 931 CB ARG A 64 -6.861 10.459 -13.855 1.00 0.00 C ATOM 932 CG ARG A 64 -7.647 9.159 -13.668 1.00 0.00 C ATOM 933 CD ARG A 64 -7.402 8.236 -14.865 1.00 0.00 C ATOM 934 NE ARG A 64 -8.555 7.293 -14.870 1.00 0.00 N ATOM 935 CZ ARG A 64 -8.589 6.310 -15.726 1.00 0.00 C ATOM 936 NH1 ARG A 64 -8.253 6.515 -16.970 1.00 0.00 N ATOM 937 NH2 ARG A 64 -8.959 5.119 -15.340 1.00 0.00 N ATOM 0 H ARG A 64 -6.214 10.949 -16.120 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.758 11.191 -14.674 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.921 10.257 -14.369 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.608 10.886 -12.885 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.340 8.665 -12.746 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.711 9.375 -13.574 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.351 8.802 -15.795 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.457 7.703 -14.765 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.318 7.416 -14.204 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.963 7.445 -17.273 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.280 5.745 -17.639 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.222 4.957 -14.368 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.985 4.351 -16.011 1.00 0.00 H new ATOM 951 N PHE A 65 -6.430 13.417 -14.012 1.00 0.00 N ATOM 952 CA PHE A 65 -6.266 14.779 -13.421 1.00 0.00 C ATOM 953 C PHE A 65 -6.947 15.832 -14.300 1.00 0.00 C ATOM 954 O PHE A 65 -7.498 16.796 -13.807 1.00 0.00 O ATOM 955 CB PHE A 65 -4.754 15.013 -13.355 1.00 0.00 C ATOM 956 CG PHE A 65 -4.356 15.338 -11.935 1.00 0.00 C ATOM 957 CD1 PHE A 65 -4.907 16.450 -11.288 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.436 14.522 -11.265 1.00 0.00 C ATOM 959 CE1 PHE A 65 -4.539 16.746 -9.970 1.00 0.00 C ATOM 960 CE2 PHE A 65 -3.068 14.819 -9.947 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.619 15.931 -9.300 1.00 0.00 C ATOM 0 H PHE A 65 -5.572 12.993 -14.365 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.726 14.855 -12.436 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.223 14.126 -13.699 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.472 15.830 -14.019 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.616 17.080 -11.805 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.011 13.664 -11.765 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.965 17.603 -9.470 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.359 14.190 -9.430 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.334 16.160 -8.284 1.00 0.00 H new ATOM 971 N LYS A 66 -6.898 15.659 -15.599 1.00 0.00 N ATOM 972 CA LYS A 66 -7.529 16.648 -16.535 1.00 0.00 C ATOM 973 C LYS A 66 -6.746 17.963 -16.514 1.00 0.00 C ATOM 974 O LYS A 66 -7.113 18.906 -15.841 1.00 0.00 O ATOM 975 CB LYS A 66 -8.969 16.865 -16.041 1.00 0.00 C ATOM 976 CG LYS A 66 -9.616 15.516 -15.711 1.00 0.00 C ATOM 977 CD LYS A 66 -11.106 15.561 -16.063 1.00 0.00 C ATOM 978 CE LYS A 66 -11.344 14.836 -17.390 1.00 0.00 C ATOM 979 NZ LYS A 66 -11.394 15.916 -18.415 1.00 0.00 N ATOM 0 H LYS A 66 -6.444 14.868 -16.057 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.524 16.282 -17.562 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.967 17.503 -15.157 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.551 17.380 -16.805 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.124 14.719 -16.269 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.489 15.289 -14.652 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.691 15.093 -15.271 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.441 16.596 -16.137 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.543 14.127 -17.602 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.274 14.269 -17.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.655 15.509 -19.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.101 16.626 -18.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.460 16.368 -18.489 1.00 0.00 H new ATOM 993 N SER A 67 -5.667 18.026 -17.249 1.00 0.00 N ATOM 994 CA SER A 67 -4.851 19.274 -17.282 1.00 0.00 C ATOM 995 C SER A 67 -4.062 19.355 -18.593 1.00 0.00 C ATOM 996 O SER A 67 -4.400 20.111 -19.484 1.00 0.00 O ATOM 997 CB SER A 67 -3.901 19.156 -16.090 1.00 0.00 C ATOM 998 OG SER A 67 -2.837 20.086 -16.243 1.00 0.00 O ATOM 0 H SER A 67 -5.315 17.264 -17.829 1.00 0.00 H new ATOM 0 HA SER A 67 -5.466 20.172 -17.226 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.438 19.350 -15.162 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.506 18.142 -16.024 1.00 0.00 H new ATOM 0 HG SER A 67 -2.227 20.014 -15.479 1.00 0.00 H new ATOM 1004 N GLN A 68 -3.016 18.581 -18.719 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.207 18.611 -19.974 1.00 0.00 C ATOM 1006 C GLN A 68 -1.361 17.339 -20.088 1.00 0.00 C ATOM 1007 O GLN A 68 -1.396 16.482 -19.228 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.310 19.844 -19.839 1.00 0.00 C ATOM 1009 CG GLN A 68 -1.813 20.950 -20.770 1.00 0.00 C ATOM 1010 CD GLN A 68 -1.597 22.312 -20.109 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -0.394 22.661 -19.743 1.00 0.00 O flip ATOM 1012 NE2 GLN A 68 -2.530 23.067 -19.925 1.00 0.00 N flip ATOM 0 H GLN A 68 -2.687 17.929 -18.007 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.831 18.658 -20.867 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.311 20.195 -18.807 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.280 19.586 -20.087 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.283 20.908 -21.722 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.871 20.803 -20.988 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.470 22.795 -20.211 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.373 23.974 -19.485 1.00 0.00 H new ATOM 1021 N THR A 69 -0.602 17.212 -21.145 1.00 0.00 N ATOM 1022 CA THR A 69 0.245 15.994 -21.315 1.00 0.00 C ATOM 1023 C THR A 69 1.616 16.371 -21.884 1.00 0.00 C ATOM 1024 O THR A 69 2.636 16.158 -21.257 1.00 0.00 O ATOM 1025 CB THR A 69 -0.522 15.115 -22.305 1.00 0.00 C ATOM 1026 OG1 THR A 69 -1.828 14.869 -21.802 1.00 0.00 O ATOM 1027 CG2 THR A 69 0.216 13.788 -22.491 1.00 0.00 C ATOM 0 H THR A 69 -0.532 17.898 -21.897 1.00 0.00 H new ATOM 0 HA THR A 69 0.426 15.484 -20.369 1.00 0.00 H new ATOM 0 HB THR A 69 -0.593 15.624 -23.266 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.322 14.307 -22.435 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.332 13.163 -23.196 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.217 13.979 -22.877 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.289 13.275 -21.532 1.00 0.00 H new ATOM 1035 N ASP A 70 1.649 16.924 -23.067 1.00 0.00 N ATOM 1036 CA ASP A 70 2.956 17.311 -23.679 1.00 0.00 C ATOM 1037 C ASP A 70 3.684 18.322 -22.785 1.00 0.00 C ATOM 1038 O ASP A 70 4.722 18.031 -22.225 1.00 0.00 O ATOM 1039 CB ASP A 70 2.597 17.943 -25.025 1.00 0.00 C ATOM 1040 CG ASP A 70 3.877 18.254 -25.801 1.00 0.00 C ATOM 1041 OD1 ASP A 70 4.717 17.375 -25.896 1.00 0.00 O ATOM 1042 OD2 ASP A 70 3.995 19.368 -26.287 1.00 0.00 O ATOM 0 H ASP A 70 0.828 17.125 -23.637 1.00 0.00 H new ATOM 0 HA ASP A 70 3.623 16.457 -23.797 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.966 17.265 -25.600 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.023 18.856 -24.868 1.00 0.00 H new ATOM 1047 N GLN A 71 3.145 19.505 -22.649 1.00 0.00 N ATOM 1048 CA GLN A 71 3.804 20.533 -21.790 1.00 0.00 C ATOM 1049 C GLN A 71 3.927 20.023 -20.351 1.00 0.00 C ATOM 1050 O GLN A 71 4.790 20.442 -19.606 1.00 0.00 O ATOM 1051 CB GLN A 71 2.881 21.753 -21.847 1.00 0.00 C ATOM 1052 CG GLN A 71 2.768 22.248 -23.292 1.00 0.00 C ATOM 1053 CD GLN A 71 3.590 23.527 -23.463 1.00 0.00 C ATOM 1054 OE1 GLN A 71 3.041 24.608 -23.555 1.00 0.00 O ATOM 1055 NE2 GLN A 71 4.892 23.451 -23.507 1.00 0.00 N ATOM 0 H GLN A 71 2.278 19.804 -23.095 1.00 0.00 H new ATOM 0 HA GLN A 71 4.812 20.768 -22.132 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.894 21.493 -21.463 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.272 22.547 -21.210 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.124 21.480 -23.979 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.724 22.439 -23.541 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.353 22.544 -23.430 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.449 24.298 -23.619 1.00 0.00 H new ATOM 1064 N LEU A 72 3.064 19.125 -19.958 1.00 0.00 N ATOM 1065 CA LEU A 72 3.120 18.585 -18.566 1.00 0.00 C ATOM 1066 C LEU A 72 4.468 17.910 -18.300 1.00 0.00 C ATOM 1067 O LEU A 72 4.952 17.126 -19.093 1.00 0.00 O ATOM 1068 CB LEU A 72 1.987 17.560 -18.493 1.00 0.00 C ATOM 1069 CG LEU A 72 1.836 17.069 -17.053 1.00 0.00 C ATOM 1070 CD1 LEU A 72 0.983 18.063 -16.261 1.00 0.00 C ATOM 1071 CD2 LEU A 72 1.154 15.699 -17.052 1.00 0.00 C ATOM 0 H LEU A 72 2.321 18.741 -20.541 1.00 0.00 H new ATOM 0 HA LEU A 72 3.012 19.372 -17.820 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.054 18.008 -18.835 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.199 16.720 -19.155 1.00 0.00 H new ATOM 0 HG LEU A 72 2.820 16.987 -16.592 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.875 17.713 -15.234 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.467 19.040 -16.262 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.002 18.145 -16.721 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.046 15.347 -16.026 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.170 15.782 -17.513 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.760 14.990 -17.616 1.00 0.00 H new ATOM 1083 N VAL A 73 5.071 18.204 -17.178 1.00 0.00 N ATOM 1084 CA VAL A 73 6.384 17.580 -16.835 1.00 0.00 C ATOM 1085 C VAL A 73 6.532 17.518 -15.311 1.00 0.00 C ATOM 1086 O VAL A 73 5.886 18.252 -14.590 1.00 0.00 O ATOM 1087 CB VAL A 73 7.442 18.505 -17.445 1.00 0.00 C ATOM 1088 CG1 VAL A 73 8.839 18.035 -17.033 1.00 0.00 C ATOM 1089 CG2 VAL A 73 7.330 18.473 -18.971 1.00 0.00 C ATOM 0 H VAL A 73 4.708 18.853 -16.480 1.00 0.00 H new ATOM 0 HA VAL A 73 6.479 16.563 -17.215 1.00 0.00 H new ATOM 0 HB VAL A 73 7.279 19.521 -17.085 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.588 18.696 -17.469 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.924 18.056 -15.947 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.001 17.018 -17.390 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.083 19.131 -19.405 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.490 17.455 -19.326 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.338 18.810 -19.270 1.00 0.00 H new ATOM 1099 N LEU A 74 7.373 16.649 -14.813 1.00 0.00 N ATOM 1100 CA LEU A 74 7.546 16.554 -13.335 1.00 0.00 C ATOM 1101 C LEU A 74 9.004 16.818 -12.955 1.00 0.00 C ATOM 1102 O LEU A 74 9.908 16.143 -13.408 1.00 0.00 O ATOM 1103 CB LEU A 74 7.140 15.122 -12.982 1.00 0.00 C ATOM 1104 CG LEU A 74 5.683 14.892 -13.380 1.00 0.00 C ATOM 1105 CD1 LEU A 74 5.626 14.353 -14.812 1.00 0.00 C ATOM 1106 CD2 LEU A 74 5.048 13.877 -12.426 1.00 0.00 C ATOM 0 H LEU A 74 7.943 16.006 -15.362 1.00 0.00 H new ATOM 0 HA LEU A 74 6.946 17.288 -12.798 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.786 14.412 -13.499 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.268 14.950 -11.913 1.00 0.00 H new ATOM 0 HG LEU A 74 5.137 15.834 -13.324 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.587 14.188 -15.098 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.079 15.075 -15.491 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.171 13.411 -14.868 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.008 13.712 -12.709 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.593 12.935 -12.482 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.090 14.260 -11.406 1.00 0.00 H new ATOM 1118 N ILE A 75 9.239 17.802 -12.127 1.00 0.00 N ATOM 1119 CA ILE A 75 10.637 18.120 -11.716 1.00 0.00 C ATOM 1120 C ILE A 75 11.105 17.135 -10.642 1.00 0.00 C ATOM 1121 O ILE A 75 10.730 17.232 -9.490 1.00 0.00 O ATOM 1122 CB ILE A 75 10.570 19.547 -11.158 1.00 0.00 C ATOM 1123 CG1 ILE A 75 10.315 20.532 -12.304 1.00 0.00 C ATOM 1124 CG2 ILE A 75 11.891 19.902 -10.466 1.00 0.00 C ATOM 1125 CD1 ILE A 75 11.459 20.461 -13.320 1.00 0.00 C ATOM 0 H ILE A 75 8.521 18.400 -11.717 1.00 0.00 H new ATOM 0 HA ILE A 75 11.343 18.043 -12.542 1.00 0.00 H new ATOM 0 HB ILE A 75 9.758 19.609 -10.433 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.369 20.298 -12.792 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.229 21.545 -11.911 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.834 20.917 -10.073 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.072 19.205 -9.647 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.708 19.836 -11.185 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.270 21.164 -14.131 1.00 0.00 H new ATOM 0 HD12 ILE A 75 12.398 20.717 -12.829 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.525 19.451 -13.724 1.00 0.00 H new ATOM 1137 N PHE A 76 11.925 16.191 -11.015 1.00 0.00 N ATOM 1138 CA PHE A 76 12.425 15.198 -10.019 1.00 0.00 C ATOM 1139 C PHE A 76 13.926 15.397 -9.786 1.00 0.00 C ATOM 1140 O PHE A 76 14.724 15.298 -10.699 1.00 0.00 O ATOM 1141 CB PHE A 76 12.147 13.829 -10.650 1.00 0.00 C ATOM 1142 CG PHE A 76 12.623 12.708 -9.743 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.926 12.952 -8.394 1.00 0.00 C ATOM 1144 CD2 PHE A 76 12.761 11.413 -10.263 1.00 0.00 C ATOM 1145 CE1 PHE A 76 13.365 11.905 -7.572 1.00 0.00 C ATOM 1146 CE2 PHE A 76 13.198 10.369 -9.440 1.00 0.00 C ATOM 1147 CZ PHE A 76 13.500 10.615 -8.097 1.00 0.00 C ATOM 0 H PHE A 76 12.271 16.063 -11.966 1.00 0.00 H new ATOM 0 HA PHE A 76 11.940 15.301 -9.048 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.079 13.721 -10.838 1.00 0.00 H new ATOM 0 HB3 PHE A 76 12.650 13.760 -11.615 1.00 0.00 H new ATOM 0 HD1 PHE A 76 12.821 13.948 -7.989 1.00 0.00 H new ATOM 0 HD2 PHE A 76 12.530 11.221 -11.300 1.00 0.00 H new ATOM 0 HE1 PHE A 76 13.599 12.094 -6.535 1.00 0.00 H new ATOM 0 HE2 PHE A 76 13.302 9.372 -9.843 1.00 0.00 H new ATOM 0 HZ PHE A 76 13.838 9.808 -7.464 1.00 0.00 H new ATOM 1157 N ALA A 77 14.313 15.679 -8.569 1.00 0.00 N ATOM 1158 CA ALA A 77 15.762 15.889 -8.263 1.00 0.00 C ATOM 1159 C ALA A 77 16.332 17.019 -9.125 1.00 0.00 C ATOM 1160 O ALA A 77 17.505 17.033 -9.447 1.00 0.00 O ATOM 1161 CB ALA A 77 16.443 14.559 -8.598 1.00 0.00 C ATOM 0 H ALA A 77 13.686 15.774 -7.770 1.00 0.00 H new ATOM 0 HA ALA A 77 15.922 16.175 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 77 17.512 14.637 -8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.016 13.767 -7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.287 14.325 -9.651 1.00 0.00 H new ATOM 1167 N GLY A 78 15.514 17.968 -9.497 1.00 0.00 N ATOM 1168 CA GLY A 78 16.012 19.098 -10.334 1.00 0.00 C ATOM 1169 C GLY A 78 16.188 18.627 -11.778 1.00 0.00 C ATOM 1170 O GLY A 78 17.015 19.134 -12.509 1.00 0.00 O ATOM 0 H GLY A 78 14.523 18.009 -9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.309 19.930 -10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.961 19.464 -9.942 1.00 0.00 H new ATOM 1174 N LYS A 79 15.415 17.660 -12.194 1.00 0.00 N ATOM 1175 CA LYS A 79 15.535 17.154 -13.591 1.00 0.00 C ATOM 1176 C LYS A 79 14.163 17.149 -14.268 1.00 0.00 C ATOM 1177 O LYS A 79 13.189 17.631 -13.722 1.00 0.00 O ATOM 1178 CB LYS A 79 16.072 15.729 -13.454 1.00 0.00 C ATOM 1179 CG LYS A 79 17.040 15.436 -14.602 1.00 0.00 C ATOM 1180 CD LYS A 79 18.061 14.383 -14.158 1.00 0.00 C ATOM 1181 CE LYS A 79 17.785 13.063 -14.883 1.00 0.00 C ATOM 1182 NZ LYS A 79 16.783 12.361 -14.034 1.00 0.00 N ATOM 0 H LYS A 79 14.705 17.198 -11.626 1.00 0.00 H new ATOM 0 HA LYS A 79 16.189 17.777 -14.201 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.580 15.611 -12.497 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.248 15.016 -13.468 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.490 15.079 -15.473 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.552 16.350 -14.901 1.00 0.00 H new ATOM 0 HD2 LYS A 79 19.072 14.726 -14.378 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.002 14.237 -13.079 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.399 13.237 -15.887 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.695 12.473 -14.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.174 11.451 -13.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.556 12.949 -13.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.918 12.192 -14.586 1.00 0.00 H new ATOM 1196 N ILE A 80 14.077 16.595 -15.448 1.00 0.00 N ATOM 1197 CA ILE A 80 12.760 16.551 -16.157 1.00 0.00 C ATOM 1198 C ILE A 80 12.154 15.154 -16.065 1.00 0.00 C ATOM 1199 O ILE A 80 12.260 14.362 -16.981 1.00 0.00 O ATOM 1200 CB ILE A 80 13.010 16.918 -17.637 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.443 16.574 -18.075 1.00 0.00 C ATOM 1202 CG2 ILE A 80 12.780 18.417 -17.829 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.663 15.061 -17.997 1.00 0.00 C ATOM 0 H ILE A 80 14.857 16.172 -15.952 1.00 0.00 H new ATOM 0 HA ILE A 80 12.063 17.253 -15.699 1.00 0.00 H new ATOM 0 HB ILE A 80 12.318 16.338 -18.248 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.615 16.923 -19.093 1.00 0.00 H new ATOM 0 HG13 ILE A 80 15.161 17.088 -17.436 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.955 18.681 -18.872 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.753 18.665 -17.559 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.467 18.975 -17.193 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.680 14.825 -18.309 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.510 14.723 -16.972 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.955 14.556 -18.655 1.00 0.00 H new ATOM 1215 N LEU A 81 11.501 14.847 -14.976 1.00 0.00 N ATOM 1216 CA LEU A 81 10.874 13.505 -14.849 1.00 0.00 C ATOM 1217 C LEU A 81 9.745 13.395 -15.871 1.00 0.00 C ATOM 1218 O LEU A 81 8.591 13.632 -15.566 1.00 0.00 O ATOM 1219 CB LEU A 81 10.324 13.441 -13.423 1.00 0.00 C ATOM 1220 CG LEU A 81 10.305 11.987 -12.937 1.00 0.00 C ATOM 1221 CD1 LEU A 81 9.622 11.910 -11.569 1.00 0.00 C ATOM 1222 CD2 LEU A 81 9.531 11.118 -13.934 1.00 0.00 C ATOM 0 H LEU A 81 11.376 15.465 -14.174 1.00 0.00 H new ATOM 0 HA LEU A 81 11.574 12.690 -15.032 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.939 14.048 -12.759 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.317 13.857 -13.393 1.00 0.00 H new ATOM 0 HG LEU A 81 11.330 11.626 -12.856 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.610 10.875 -11.226 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.170 12.523 -10.854 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.599 12.277 -11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.520 10.086 -13.585 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.508 11.484 -14.018 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.014 11.166 -14.910 1.00 0.00 H new ATOM 1234 N LYS A 82 10.074 13.057 -17.087 1.00 0.00 N ATOM 1235 CA LYS A 82 9.031 12.948 -18.140 1.00 0.00 C ATOM 1236 C LYS A 82 9.423 11.875 -19.168 1.00 0.00 C ATOM 1237 O LYS A 82 10.038 10.882 -18.834 1.00 0.00 O ATOM 1238 CB LYS A 82 8.967 14.341 -18.778 1.00 0.00 C ATOM 1239 CG LYS A 82 10.335 14.711 -19.360 1.00 0.00 C ATOM 1240 CD LYS A 82 10.177 15.117 -20.827 1.00 0.00 C ATOM 1241 CE LYS A 82 9.876 16.616 -20.913 1.00 0.00 C ATOM 1242 NZ LYS A 82 8.799 16.733 -21.935 1.00 0.00 N ATOM 0 H LYS A 82 11.024 12.851 -17.396 1.00 0.00 H new ATOM 0 HA LYS A 82 8.062 12.648 -17.741 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.212 14.356 -19.564 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.667 15.078 -18.033 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.774 15.530 -18.791 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.017 13.865 -19.278 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.088 14.886 -21.379 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.371 14.546 -21.288 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.551 17.010 -19.950 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.761 17.181 -21.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.538 17.733 -22.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.139 16.357 -22.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.967 16.191 -21.626 1.00 0.00 H new ATOM 1256 N ASP A 83 9.059 12.062 -20.406 1.00 0.00 N ATOM 1257 CA ASP A 83 9.392 11.045 -21.453 1.00 0.00 C ATOM 1258 C ASP A 83 10.882 11.083 -21.813 1.00 0.00 C ATOM 1259 O ASP A 83 11.395 10.181 -22.445 1.00 0.00 O ATOM 1260 CB ASP A 83 8.526 11.414 -22.659 1.00 0.00 C ATOM 1261 CG ASP A 83 8.860 12.835 -23.121 1.00 0.00 C ATOM 1262 OD1 ASP A 83 9.973 13.045 -23.574 1.00 0.00 O ATOM 1263 OD2 ASP A 83 7.995 13.689 -23.014 1.00 0.00 O ATOM 0 H ASP A 83 8.544 12.876 -20.742 1.00 0.00 H new ATOM 0 HA ASP A 83 9.195 10.031 -21.106 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.698 10.708 -23.471 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.471 11.346 -22.395 1.00 0.00 H new ATOM 1268 N GLN A 84 11.578 12.117 -21.424 1.00 0.00 N ATOM 1269 CA GLN A 84 13.034 12.210 -21.751 1.00 0.00 C ATOM 1270 C GLN A 84 13.766 10.936 -21.317 1.00 0.00 C ATOM 1271 O GLN A 84 14.711 10.507 -21.950 1.00 0.00 O ATOM 1272 CB GLN A 84 13.543 13.410 -20.953 1.00 0.00 C ATOM 1273 CG GLN A 84 15.016 13.660 -21.284 1.00 0.00 C ATOM 1274 CD GLN A 84 15.129 14.814 -22.282 1.00 0.00 C ATOM 1275 OE1 GLN A 84 15.678 15.852 -21.968 1.00 0.00 O ATOM 1276 NE2 GLN A 84 14.628 14.677 -23.479 1.00 0.00 N ATOM 0 H GLN A 84 11.203 12.903 -20.893 1.00 0.00 H new ATOM 0 HA GLN A 84 13.204 12.324 -22.822 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.952 14.294 -21.190 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.426 13.225 -19.885 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.568 13.897 -20.375 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.463 12.759 -21.703 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.167 13.806 -23.742 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.697 15.441 -24.151 1.00 0.00 H new ATOM 1285 N ASP A 85 13.337 10.329 -20.243 1.00 0.00 N ATOM 1286 CA ASP A 85 14.007 9.083 -19.771 1.00 0.00 C ATOM 1287 C ASP A 85 12.961 8.013 -19.455 1.00 0.00 C ATOM 1288 O ASP A 85 11.778 8.214 -19.654 1.00 0.00 O ATOM 1289 CB ASP A 85 14.756 9.491 -18.501 1.00 0.00 C ATOM 1290 CG ASP A 85 16.221 9.777 -18.840 1.00 0.00 C ATOM 1291 OD1 ASP A 85 16.460 10.447 -19.830 1.00 0.00 O ATOM 1292 OD2 ASP A 85 17.078 9.322 -18.101 1.00 0.00 O ATOM 0 H ASP A 85 12.552 10.642 -19.672 1.00 0.00 H new ATOM 0 HA ASP A 85 14.677 8.664 -20.521 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.294 10.375 -18.062 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.692 8.696 -17.758 1.00 0.00 H new ATOM 1297 N THR A 86 13.384 6.880 -18.964 1.00 0.00 N ATOM 1298 CA THR A 86 12.407 5.801 -18.635 1.00 0.00 C ATOM 1299 C THR A 86 12.062 5.848 -17.145 1.00 0.00 C ATOM 1300 O THR A 86 12.897 6.144 -16.312 1.00 0.00 O ATOM 1301 CB THR A 86 13.108 4.485 -18.989 1.00 0.00 C ATOM 1302 OG1 THR A 86 14.506 4.705 -19.131 1.00 0.00 O ATOM 1303 CG2 THR A 86 12.542 3.940 -20.301 1.00 0.00 C ATOM 0 H THR A 86 14.361 6.654 -18.777 1.00 0.00 H new ATOM 0 HA THR A 86 11.473 5.912 -19.185 1.00 0.00 H new ATOM 0 HB THR A 86 12.937 3.763 -18.190 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.873 4.068 -19.779 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.041 3.004 -20.552 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.472 3.762 -20.190 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.708 4.665 -21.098 1.00 0.00 H new ATOM 1311 N LEU A 87 10.834 5.563 -16.808 1.00 0.00 N ATOM 1312 CA LEU A 87 10.420 5.596 -15.375 1.00 0.00 C ATOM 1313 C LEU A 87 11.306 4.672 -14.535 1.00 0.00 C ATOM 1314 O LEU A 87 11.774 5.040 -13.476 1.00 0.00 O ATOM 1315 CB LEU A 87 8.969 5.101 -15.380 1.00 0.00 C ATOM 1316 CG LEU A 87 8.215 5.675 -14.179 1.00 0.00 C ATOM 1317 CD1 LEU A 87 8.322 7.203 -14.179 1.00 0.00 C ATOM 1318 CD2 LEU A 87 6.742 5.270 -14.267 1.00 0.00 C ATOM 0 H LEU A 87 10.097 5.308 -17.465 1.00 0.00 H new ATOM 0 HA LEU A 87 10.515 6.591 -14.940 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.477 5.401 -16.305 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.948 4.012 -15.346 1.00 0.00 H new ATOM 0 HG LEU A 87 8.651 5.285 -13.260 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.783 7.605 -13.321 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.371 7.494 -14.118 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.889 7.598 -15.098 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.201 5.677 -13.413 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.312 5.661 -15.189 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.663 4.183 -14.262 1.00 0.00 H new ATOM 1330 N ILE A 88 11.538 3.476 -15.002 1.00 0.00 N ATOM 1331 CA ILE A 88 12.395 2.525 -14.231 1.00 0.00 C ATOM 1332 C ILE A 88 13.863 2.950 -14.272 1.00 0.00 C ATOM 1333 O ILE A 88 14.698 2.370 -13.605 1.00 0.00 O ATOM 1334 CB ILE A 88 12.247 1.170 -14.924 1.00 0.00 C ATOM 1335 CG1 ILE A 88 12.532 1.321 -16.436 1.00 0.00 C ATOM 1336 CG2 ILE A 88 10.842 0.613 -14.677 1.00 0.00 C ATOM 1337 CD1 ILE A 88 11.250 1.163 -17.266 1.00 0.00 C ATOM 0 H ILE A 88 11.173 3.114 -15.883 1.00 0.00 H new ATOM 0 HA ILE A 88 12.090 2.495 -13.185 1.00 0.00 H new ATOM 0 HB ILE A 88 12.969 0.466 -14.511 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.974 2.299 -16.629 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.263 0.574 -16.746 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.741 -0.353 -15.173 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.683 0.489 -13.606 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.101 1.305 -15.077 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.486 1.275 -18.324 1.00 0.00 H new ATOM 0 HD12 ILE A 88 10.823 0.175 -17.092 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.530 1.927 -16.972 1.00 0.00 H new ATOM 1349 N GLN A 89 14.200 3.929 -15.066 1.00 0.00 N ATOM 1350 CA GLN A 89 15.628 4.339 -15.155 1.00 0.00 C ATOM 1351 C GLN A 89 15.872 5.710 -14.521 1.00 0.00 C ATOM 1352 O GLN A 89 16.993 6.179 -14.497 1.00 0.00 O ATOM 1353 CB GLN A 89 15.928 4.393 -16.652 1.00 0.00 C ATOM 1354 CG GLN A 89 15.705 3.012 -17.273 1.00 0.00 C ATOM 1355 CD GLN A 89 16.771 2.751 -18.339 1.00 0.00 C ATOM 1356 OE1 GLN A 89 17.910 3.143 -18.185 1.00 0.00 O ATOM 1357 NE2 GLN A 89 16.448 2.099 -19.422 1.00 0.00 N ATOM 0 H GLN A 89 13.554 4.458 -15.652 1.00 0.00 H new ATOM 0 HA GLN A 89 16.270 3.641 -14.617 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.284 5.128 -17.135 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.957 4.714 -16.815 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.752 2.243 -16.502 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.711 2.958 -17.717 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.492 1.769 -19.553 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.152 1.919 -20.138 1.00 0.00 H new ATOM 1366 N HIS A 90 14.858 6.373 -14.009 1.00 0.00 N ATOM 1367 CA HIS A 90 15.119 7.722 -13.400 1.00 0.00 C ATOM 1368 C HIS A 90 13.832 8.390 -12.931 1.00 0.00 C ATOM 1369 O HIS A 90 13.836 9.169 -11.998 1.00 0.00 O ATOM 1370 CB HIS A 90 15.735 8.556 -14.525 1.00 0.00 C ATOM 1371 CG HIS A 90 17.167 8.881 -14.195 1.00 0.00 C ATOM 1372 ND1 HIS A 90 17.730 9.614 -13.179 1.00 0.00 N flip ATOM 1373 CD2 HIS A 90 18.225 8.423 -14.962 1.00 0.00 C flip ATOM 1374 CE1 HIS A 90 19.115 9.612 -13.313 1.00 0.00 C flip ATOM 1375 NE2 HIS A 90 19.361 8.880 -14.403 1.00 0.00 N flip ATOM 0 H HIS A 90 13.890 6.052 -13.985 1.00 0.00 H new ATOM 0 HA HIS A 90 15.765 7.632 -12.526 1.00 0.00 H new ATOM 0 HB2 HIS A 90 15.685 8.008 -15.466 1.00 0.00 H new ATOM 0 HB3 HIS A 90 15.166 9.476 -14.661 1.00 0.00 H new ATOM 0 HD2 HIS A 90 18.152 7.810 -15.848 1.00 0.00 H new ATOM 0 HE1 HIS A 90 19.836 10.098 -12.673 1.00 0.00 H new ATOM 0 HE2 HIS A 90 20.295 8.691 -14.767 1.00 0.00 H new ATOM 1383 N GLY A 91 12.740 8.124 -13.583 1.00 0.00 N ATOM 1384 CA GLY A 91 11.470 8.781 -13.183 1.00 0.00 C ATOM 1385 C GLY A 91 11.154 8.458 -11.723 1.00 0.00 C ATOM 1386 O GLY A 91 10.825 9.332 -10.946 1.00 0.00 O ATOM 0 H GLY A 91 12.671 7.482 -14.373 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.551 9.860 -13.316 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.657 8.441 -13.824 1.00 0.00 H new ATOM 1390 N ILE A 92 11.242 7.213 -11.344 1.00 0.00 N ATOM 1391 CA ILE A 92 10.934 6.842 -9.931 1.00 0.00 C ATOM 1392 C ILE A 92 11.854 5.713 -9.470 1.00 0.00 C ATOM 1393 O ILE A 92 12.445 5.012 -10.269 1.00 0.00 O ATOM 1394 CB ILE A 92 9.475 6.355 -9.923 1.00 0.00 C ATOM 1395 CG1 ILE A 92 8.777 6.692 -11.257 1.00 0.00 C ATOM 1396 CG2 ILE A 92 8.722 7.003 -8.756 1.00 0.00 C ATOM 1397 CD1 ILE A 92 8.354 8.167 -11.291 1.00 0.00 C ATOM 0 H ILE A 92 11.513 6.437 -11.948 1.00 0.00 H new ATOM 0 HA ILE A 92 11.081 7.689 -9.260 1.00 0.00 H new ATOM 0 HB ILE A 92 9.470 5.272 -9.800 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.450 6.482 -12.088 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.902 6.055 -11.387 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.689 6.656 -8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.200 6.727 -7.816 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.741 8.087 -8.868 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.864 8.383 -12.240 1.00 0.00 H new ATOM 0 HD12 ILE A 92 7.663 8.366 -10.472 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.235 8.801 -11.185 1.00 0.00 H new ATOM 1409 N HIS A 93 11.964 5.524 -8.185 1.00 0.00 N ATOM 1410 CA HIS A 93 12.828 4.431 -7.658 1.00 0.00 C ATOM 1411 C HIS A 93 11.988 3.498 -6.781 1.00 0.00 C ATOM 1412 O HIS A 93 12.112 2.291 -6.844 1.00 0.00 O ATOM 1413 CB HIS A 93 13.903 5.132 -6.822 1.00 0.00 C ATOM 1414 CG HIS A 93 14.629 6.149 -7.664 1.00 0.00 C ATOM 1415 ND1 HIS A 93 14.865 6.226 -9.016 1.00 0.00 N flip ATOM 1416 CD2 HIS A 93 15.225 7.271 -7.112 1.00 0.00 C flip ATOM 1417 CE1 HIS A 93 15.595 7.378 -9.298 1.00 0.00 C flip ATOM 1418 NE2 HIS A 93 15.784 7.970 -8.116 1.00 0.00 N flip ATOM 0 H HIS A 93 11.491 6.082 -7.474 1.00 0.00 H new ATOM 0 HA HIS A 93 13.270 3.828 -8.451 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.445 5.620 -5.962 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.609 4.398 -6.434 1.00 0.00 H new ATOM 0 HD1 HIS A 93 14.553 5.544 -9.707 1.00 0.00 H new ATOM 0 HD2 HIS A 93 15.238 7.536 -6.065 1.00 0.00 H new ATOM 0 HE1 HIS A 93 15.935 7.719 -10.265 1.00 0.00 H new ATOM 1426 N ASP A 94 11.127 4.058 -5.969 1.00 0.00 N ATOM 1427 CA ASP A 94 10.260 3.223 -5.081 1.00 0.00 C ATOM 1428 C ASP A 94 9.355 4.124 -4.233 1.00 0.00 C ATOM 1429 O ASP A 94 9.062 3.826 -3.092 1.00 0.00 O ATOM 1430 CB ASP A 94 11.219 2.435 -4.180 1.00 0.00 C ATOM 1431 CG ASP A 94 12.186 3.397 -3.484 1.00 0.00 C ATOM 1432 OD1 ASP A 94 11.714 4.331 -2.858 1.00 0.00 O ATOM 1433 OD2 ASP A 94 13.382 3.182 -3.590 1.00 0.00 O ATOM 0 H ASP A 94 10.986 5.065 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 94 9.614 2.559 -5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.654 1.872 -3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.777 1.710 -4.773 1.00 0.00 H new ATOM 1438 N GLY A 95 8.911 5.226 -4.782 1.00 0.00 N ATOM 1439 CA GLY A 95 8.027 6.145 -4.007 1.00 0.00 C ATOM 1440 C GLY A 95 8.771 7.450 -3.710 1.00 0.00 C ATOM 1441 O GLY A 95 9.089 7.748 -2.575 1.00 0.00 O ATOM 0 H GLY A 95 9.123 5.528 -5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.119 6.354 -4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.720 5.670 -3.075 1.00 0.00 H new ATOM 1445 N LEU A 96 9.050 8.232 -4.720 1.00 0.00 N ATOM 1446 CA LEU A 96 9.772 9.518 -4.490 1.00 0.00 C ATOM 1447 C LEU A 96 8.797 10.697 -4.579 1.00 0.00 C ATOM 1448 O LEU A 96 7.633 10.529 -4.885 1.00 0.00 O ATOM 1449 CB LEU A 96 10.812 9.597 -5.612 1.00 0.00 C ATOM 1450 CG LEU A 96 12.118 8.927 -5.169 1.00 0.00 C ATOM 1451 CD1 LEU A 96 12.682 9.645 -3.937 1.00 0.00 C ATOM 1452 CD2 LEU A 96 11.850 7.458 -4.828 1.00 0.00 C ATOM 0 H LEU A 96 8.810 8.036 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 96 10.233 9.560 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.429 9.108 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.999 10.639 -5.872 1.00 0.00 H new ATOM 0 HG LEU A 96 12.843 8.986 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.610 9.163 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.879 10.689 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 96 11.959 9.594 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 96 12.779 6.982 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.120 7.399 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.460 6.946 -5.707 1.00 0.00 H new ATOM 1464 N THR A 97 9.268 11.886 -4.316 1.00 0.00 N ATOM 1465 CA THR A 97 8.372 13.079 -4.385 1.00 0.00 C ATOM 1466 C THR A 97 8.781 13.977 -5.557 1.00 0.00 C ATOM 1467 O THR A 97 9.902 14.443 -5.634 1.00 0.00 O ATOM 1468 CB THR A 97 8.564 13.806 -3.049 1.00 0.00 C ATOM 1469 OG1 THR A 97 7.734 14.958 -3.019 1.00 0.00 O ATOM 1470 CG2 THR A 97 10.029 14.226 -2.881 1.00 0.00 C ATOM 0 H THR A 97 10.234 12.084 -4.056 1.00 0.00 H new ATOM 0 HA THR A 97 7.330 12.804 -4.545 1.00 0.00 H new ATOM 0 HB THR A 97 8.294 13.134 -2.234 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.853 15.425 -2.165 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.153 14.741 -1.929 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.666 13.341 -2.900 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.312 14.894 -3.694 1.00 0.00 H new ATOM 1478 N VAL A 98 7.883 14.217 -6.475 1.00 0.00 N ATOM 1479 CA VAL A 98 8.222 15.078 -7.646 1.00 0.00 C ATOM 1480 C VAL A 98 7.212 16.222 -7.777 1.00 0.00 C ATOM 1481 O VAL A 98 6.057 16.086 -7.427 1.00 0.00 O ATOM 1482 CB VAL A 98 8.144 14.149 -8.860 1.00 0.00 C ATOM 1483 CG1 VAL A 98 9.154 13.011 -8.701 1.00 0.00 C ATOM 1484 CG2 VAL A 98 6.733 13.562 -8.969 1.00 0.00 C ATOM 0 H VAL A 98 6.930 13.854 -6.465 1.00 0.00 H new ATOM 0 HA VAL A 98 9.206 15.537 -7.547 1.00 0.00 H new ATOM 0 HB VAL A 98 8.373 14.717 -9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.097 12.350 -9.566 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.160 13.425 -8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.926 12.446 -7.797 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.680 12.901 -9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.503 12.997 -8.066 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.011 14.370 -9.085 1.00 0.00 H new ATOM 1494 N HIS A 99 7.643 17.347 -8.283 1.00 0.00 N ATOM 1495 CA HIS A 99 6.710 18.501 -8.441 1.00 0.00 C ATOM 1496 C HIS A 99 6.040 18.454 -9.818 1.00 0.00 C ATOM 1497 O HIS A 99 6.677 18.187 -10.818 1.00 0.00 O ATOM 1498 CB HIS A 99 7.593 19.744 -8.316 1.00 0.00 C ATOM 1499 CG HIS A 99 8.227 19.775 -6.952 1.00 0.00 C ATOM 1500 ND1 HIS A 99 9.506 19.292 -6.721 1.00 0.00 N ATOM 1501 CD2 HIS A 99 7.772 20.225 -5.738 1.00 0.00 C ATOM 1502 CE1 HIS A 99 9.774 19.464 -5.413 1.00 0.00 C ATOM 1503 NE2 HIS A 99 8.750 20.029 -4.767 1.00 0.00 N ATOM 0 H HIS A 99 8.600 17.517 -8.593 1.00 0.00 H new ATOM 0 HA HIS A 99 5.912 18.492 -7.699 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.364 19.734 -9.087 1.00 0.00 H new ATOM 0 HB3 HIS A 99 6.997 20.643 -8.472 1.00 0.00 H new ATOM 0 HD2 HIS A 99 6.801 20.665 -5.562 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.704 19.180 -4.943 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.696 20.266 -3.776 1.00 0.00 H new ATOM 1511 N LEU A 100 4.761 18.710 -9.875 1.00 0.00 N ATOM 1512 CA LEU A 100 4.047 18.682 -11.187 1.00 0.00 C ATOM 1513 C LEU A 100 4.020 20.085 -11.799 1.00 0.00 C ATOM 1514 O LEU A 100 3.491 21.015 -11.221 1.00 0.00 O ATOM 1515 CB LEU A 100 2.628 18.208 -10.853 1.00 0.00 C ATOM 1516 CG LEU A 100 1.960 17.602 -12.095 1.00 0.00 C ATOM 1517 CD1 LEU A 100 1.851 18.662 -13.194 1.00 0.00 C ATOM 1518 CD2 LEU A 100 2.791 16.421 -12.606 1.00 0.00 C ATOM 0 H LEU A 100 4.178 18.938 -9.070 1.00 0.00 H new ATOM 0 HA LEU A 100 4.532 18.029 -11.913 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.664 17.468 -10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.035 19.046 -10.485 1.00 0.00 H new ATOM 0 HG LEU A 100 0.962 17.254 -11.828 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.376 18.227 -14.073 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.252 19.498 -12.835 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.847 19.016 -13.458 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.313 15.994 -13.488 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.791 16.766 -12.867 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.861 15.661 -11.827 1.00 0.00 H new ATOM 1530 N VAL A 101 4.584 20.243 -12.966 1.00 0.00 N ATOM 1531 CA VAL A 101 4.592 21.585 -13.620 1.00 0.00 C ATOM 1532 C VAL A 101 4.557 21.430 -15.144 1.00 0.00 C ATOM 1533 O VAL A 101 4.941 20.409 -15.681 1.00 0.00 O ATOM 1534 CB VAL A 101 5.900 22.242 -13.174 1.00 0.00 C ATOM 1535 CG1 VAL A 101 5.887 22.425 -11.655 1.00 0.00 C ATOM 1536 CG2 VAL A 101 7.087 21.356 -13.567 1.00 0.00 C ATOM 0 H VAL A 101 5.040 19.500 -13.496 1.00 0.00 H new ATOM 0 HA VAL A 101 3.725 22.184 -13.342 1.00 0.00 H new ATOM 0 HB VAL A 101 5.997 23.213 -13.660 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.819 22.893 -11.337 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.047 23.060 -11.372 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.786 21.453 -11.172 1.00 0.00 H new ATOM 0 HG21 VAL A 101 8.016 21.829 -13.247 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.990 20.383 -13.085 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.101 21.225 -14.649 1.00 0.00 H new ATOM 1546 N ILE A 102 4.105 22.438 -15.842 1.00 0.00 N ATOM 1547 CA ILE A 102 4.055 22.350 -17.333 1.00 0.00 C ATOM 1548 C ILE A 102 5.135 23.242 -17.950 1.00 0.00 C ATOM 1549 O ILE A 102 5.350 24.359 -17.522 1.00 0.00 O ATOM 1550 CB ILE A 102 2.656 22.830 -17.745 1.00 0.00 C ATOM 1551 CG1 ILE A 102 2.340 24.185 -17.079 1.00 0.00 C ATOM 1552 CG2 ILE A 102 1.614 21.778 -17.346 1.00 0.00 C ATOM 1553 CD1 ILE A 102 1.560 23.983 -15.772 1.00 0.00 C ATOM 0 H ILE A 102 3.769 23.316 -15.447 1.00 0.00 H new ATOM 0 HA ILE A 102 4.238 21.333 -17.681 1.00 0.00 H new ATOM 0 HB ILE A 102 2.626 22.965 -18.826 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.268 24.720 -16.875 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.759 24.804 -17.762 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.621 22.120 -17.639 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.837 20.837 -17.848 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.642 21.629 -16.267 1.00 0.00 H new ATOM 0 HD11 ILE A 102 1.349 24.952 -15.321 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.622 23.469 -15.984 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.154 23.384 -15.082 1.00 0.00 H new