USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 559 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 84 ASN : amide:sc= -4.01! C(o=-4.1!,f=-11!) USER MOD Set 1.2: A 94 LYS NZ :NH3+ 150:sc= -0.115 (180deg=-0.561) USER MOD Set 2.1: A 81 ASN : amide:sc= -0.538 K(o=0.042,f=-4.3!) USER MOD Set 2.2: A 82 THR OG1 : rot 55:sc= 0.58 USER MOD Set 3.1: A 32 ASN : amide:sc= 0.147 K(o=-0.025,f=-4.2!) USER MOD Set 3.2: A 89 GLN :FLIP amide:sc= -0.172 F(o=-2.9,f=-0.025) USER MOD Set 4.1: A 22 THR OG1 : rot 94:sc= 1.3 USER MOD Set 4.2: A 69 ASN : amide:sc= 2.15 K(o=3.5,f=-2.9!) USER MOD Single : A 23 ASN : amide:sc= -1.87! X(o=-1.9!,f=-2.1) USER MOD Single : A 27 ASN : amide:sc= 0.0437 K(o=0.044,f=-0.84) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.102 F(o=-1.1,f=-0.1) USER MOD Single : A 33 MET CE :methyl -109:sc= -3.77! (180deg=-5.51!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.785 USER MOD Single : A 35 GLN :FLIP amide:sc= -4.03! C(o=-6!,f=-4!) USER MOD Single : A 40 SER OG : rot -97:sc= 1.13 USER MOD Single : A 43 SER OG : rot -42:sc= 0.0104 USER MOD Single : A 44 SER OG : rot -105:sc= 1.28 USER MOD Single : A 50 SER OG : rot -92:sc= 1.26 USER MOD Single : A 52 LYS NZ :NH3+ -168:sc= -0.0182 (180deg=-0.187) USER MOD Single : A 62 SER OG : rot 22:sc= 0.246 USER MOD Single : A 65 TYR OH : rot 180:sc=-0.00917 USER MOD Single : A 70 TYR OH : rot 17:sc= -1.17 USER MOD Single : A 72 THR OG1 : rot -171:sc= 0.149 USER MOD Single : A 74 LYS NZ :NH3+ -146:sc= 1.26 (180deg=0.178) USER MOD Single : A 90 SER OG : rot -42:sc= 0.034 USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.022) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0332 USER MOD Single : A 96 SER OG : rot 4:sc= 0.555 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 8.181 -2.149 5.396 1.00 0.00 N ATOM 302 CA THR A 22 7.313 -3.238 4.993 1.00 0.00 C ATOM 303 C THR A 22 5.873 -2.743 4.902 1.00 0.00 C ATOM 304 O THR A 22 5.018 -3.365 4.274 1.00 0.00 O ATOM 305 CB THR A 22 7.403 -4.390 6.008 1.00 0.00 C ATOM 306 OG1 THR A 22 7.049 -3.911 7.311 1.00 0.00 O ATOM 307 CG2 THR A 22 8.810 -4.959 6.054 1.00 0.00 C ATOM 0 HA THR A 22 7.632 -3.601 4.016 1.00 0.00 H new ATOM 0 HB THR A 22 6.714 -5.176 5.698 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.097 -4.076 7.473 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.850 -5.772 6.779 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.082 -5.337 5.069 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.509 -4.176 6.348 1.00 0.00 H new ATOM 315 N ASN A 23 5.634 -1.609 5.550 1.00 0.00 N ATOM 316 CA ASN A 23 4.325 -0.974 5.581 1.00 0.00 C ATOM 317 C ASN A 23 4.042 -0.323 4.239 1.00 0.00 C ATOM 318 O ASN A 23 4.830 0.498 3.769 1.00 0.00 O ATOM 319 CB ASN A 23 4.309 0.098 6.665 1.00 0.00 C ATOM 320 CG ASN A 23 2.915 0.601 6.986 1.00 0.00 C ATOM 321 OD1 ASN A 23 1.927 -0.120 6.842 1.00 0.00 O ATOM 322 ND2 ASN A 23 2.828 1.841 7.441 1.00 0.00 N ATOM 0 H ASN A 23 6.349 -1.102 6.072 1.00 0.00 H new ATOM 0 HA ASN A 23 3.565 -1.726 5.791 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.761 -0.304 7.572 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.927 0.937 6.346 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.918 2.231 7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.671 2.406 7.546 1.00 0.00 H new ATOM 329 N LEU A 24 2.936 -0.680 3.626 1.00 0.00 N ATOM 330 CA LEU A 24 2.616 -0.168 2.310 1.00 0.00 C ATOM 331 C LEU A 24 1.337 0.648 2.322 1.00 0.00 C ATOM 332 O LEU A 24 0.253 0.133 2.593 1.00 0.00 O ATOM 333 CB LEU A 24 2.501 -1.318 1.313 1.00 0.00 C ATOM 334 CG LEU A 24 3.485 -1.274 0.145 1.00 0.00 C ATOM 335 CD1 LEU A 24 4.909 -1.090 0.634 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.377 -2.544 -0.660 1.00 0.00 C ATOM 0 H LEU A 24 2.244 -1.321 4.015 1.00 0.00 H new ATOM 0 HA LEU A 24 3.426 0.493 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.642 -2.257 1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.488 -1.329 0.912 1.00 0.00 H new ATOM 0 HG LEU A 24 3.231 -0.421 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.586 -1.063 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.985 -0.154 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.180 -1.921 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.080 -2.508 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.610 -3.398 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.363 -2.645 -1.046 1.00 0.00 H new ATOM 348 N ILE A 25 1.483 1.929 2.031 1.00 0.00 N ATOM 349 CA ILE A 25 0.348 2.800 1.853 1.00 0.00 C ATOM 350 C ILE A 25 -0.206 2.592 0.450 1.00 0.00 C ATOM 351 O ILE A 25 0.504 2.735 -0.546 1.00 0.00 O ATOM 352 CB ILE A 25 0.707 4.292 2.077 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.573 5.123 2.085 1.00 0.00 C ATOM 354 CG2 ILE A 25 1.704 4.797 1.040 1.00 0.00 C ATOM 355 CD1 ILE A 25 -0.349 6.615 2.172 1.00 0.00 C ATOM 0 H ILE A 25 2.387 2.386 1.913 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.402 2.546 2.602 1.00 0.00 H new ATOM 0 HB ILE A 25 1.199 4.394 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.139 4.905 1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.189 4.811 2.928 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.929 5.846 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.621 4.212 1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.275 4.695 0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.311 7.128 2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.187 6.849 3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.238 6.945 1.315 1.00 0.00 H new ATOM 367 N VAL A 26 -1.451 2.194 0.371 1.00 0.00 N ATOM 368 CA VAL A 26 -2.066 1.938 -0.909 1.00 0.00 C ATOM 369 C VAL A 26 -3.178 2.931 -1.144 1.00 0.00 C ATOM 370 O VAL A 26 -4.238 2.855 -0.529 1.00 0.00 O ATOM 371 CB VAL A 26 -2.613 0.513 -1.000 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.991 0.185 -2.435 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.585 -0.462 -0.473 1.00 0.00 C ATOM 0 H VAL A 26 -2.058 2.040 1.176 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.301 2.049 -1.678 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.512 0.432 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.379 -0.832 -2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.755 0.882 -2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.110 0.270 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.978 -1.476 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.674 -0.386 -1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.361 -0.227 0.567 1.00 0.00 H new ATOM 383 N ASN A 27 -2.919 3.869 -2.016 1.00 0.00 N ATOM 384 CA ASN A 27 -3.864 4.924 -2.294 1.00 0.00 C ATOM 385 C ASN A 27 -4.725 4.534 -3.474 1.00 0.00 C ATOM 386 O ASN A 27 -4.497 3.498 -4.102 1.00 0.00 O ATOM 387 CB ASN A 27 -3.132 6.226 -2.603 1.00 0.00 C ATOM 388 CG ASN A 27 -3.793 7.432 -1.970 1.00 0.00 C ATOM 389 OD1 ASN A 27 -4.712 8.025 -2.535 1.00 0.00 O ATOM 390 ND2 ASN A 27 -3.305 7.815 -0.802 1.00 0.00 N ATOM 0 H ASN A 27 -2.053 3.926 -2.552 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.492 5.074 -1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.104 6.153 -2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.088 6.366 -3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.691 8.633 -0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.542 7.292 -0.372 1.00 0.00 H new ATOM 397 N TYR A 28 -5.705 5.372 -3.762 1.00 0.00 N ATOM 398 CA TYR A 28 -6.582 5.192 -4.912 1.00 0.00 C ATOM 399 C TYR A 28 -7.351 3.875 -4.829 1.00 0.00 C ATOM 400 O TYR A 28 -7.722 3.295 -5.850 1.00 0.00 O ATOM 401 CB TYR A 28 -5.769 5.263 -6.205 1.00 0.00 C ATOM 402 CG TYR A 28 -4.995 6.556 -6.350 1.00 0.00 C ATOM 403 CD1 TYR A 28 -5.580 7.694 -6.885 1.00 0.00 C ATOM 404 CD2 TYR A 28 -3.674 6.634 -5.933 1.00 0.00 C ATOM 405 CE1 TYR A 28 -4.869 8.874 -6.996 1.00 0.00 C ATOM 406 CE2 TYR A 28 -2.953 7.807 -6.041 1.00 0.00 C ATOM 407 CZ TYR A 28 -3.557 8.927 -6.572 1.00 0.00 C ATOM 408 OH TYR A 28 -2.846 10.100 -6.679 1.00 0.00 O ATOM 0 H TYR A 28 -5.918 6.200 -3.205 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.316 5.998 -4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.073 4.425 -6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.441 5.151 -7.056 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.606 7.658 -7.220 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.199 5.759 -5.515 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.339 9.752 -7.413 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.925 7.847 -5.712 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.939 9.965 -6.334 1.00 0.00 H new ATOM 418 N LEU A 29 -7.580 3.409 -3.607 1.00 0.00 N ATOM 419 CA LEU A 29 -8.393 2.221 -3.383 1.00 0.00 C ATOM 420 C LEU A 29 -9.826 2.504 -3.794 1.00 0.00 C ATOM 421 O LEU A 29 -10.321 3.618 -3.599 1.00 0.00 O ATOM 422 CB LEU A 29 -8.365 1.809 -1.908 1.00 0.00 C ATOM 423 CG LEU A 29 -7.003 1.385 -1.368 1.00 0.00 C ATOM 424 CD1 LEU A 29 -7.154 0.751 0.006 1.00 0.00 C ATOM 425 CD2 LEU A 29 -6.322 0.426 -2.326 1.00 0.00 C ATOM 0 H LEU A 29 -7.214 3.836 -2.756 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.984 1.407 -3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.729 2.644 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.065 0.985 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.378 2.273 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.174 0.453 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.600 1.471 0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.796 -0.127 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.352 0.136 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.942 -0.461 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.182 0.914 -3.291 1.00 0.00 H new ATOM 437 N PRO A 30 -10.514 1.509 -4.371 1.00 0.00 N ATOM 438 CA PRO A 30 -11.906 1.670 -4.774 1.00 0.00 C ATOM 439 C PRO A 30 -12.764 2.104 -3.591 1.00 0.00 C ATOM 440 O PRO A 30 -12.652 1.548 -2.494 1.00 0.00 O ATOM 441 CB PRO A 30 -12.325 0.279 -5.237 1.00 0.00 C ATOM 442 CG PRO A 30 -11.056 -0.443 -5.538 1.00 0.00 C ATOM 443 CD PRO A 30 -9.997 0.158 -4.662 1.00 0.00 C ATOM 0 HA PRO A 30 -12.027 2.430 -5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.895 -0.236 -4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.963 0.335 -6.119 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.162 -1.510 -5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.792 -0.339 -6.590 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.854 -0.422 -3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.033 0.198 -5.169 1.00 0.00 H new ATOM 451 N GLN A 31 -13.623 3.082 -3.824 1.00 0.00 N ATOM 452 CA GLN A 31 -14.396 3.713 -2.762 1.00 0.00 C ATOM 453 C GLN A 31 -15.317 2.725 -2.038 1.00 0.00 C ATOM 454 O GLN A 31 -15.752 2.980 -0.916 1.00 0.00 O ATOM 455 CB GLN A 31 -15.219 4.865 -3.334 1.00 0.00 C ATOM 456 CG GLN A 31 -14.373 6.007 -3.877 1.00 0.00 C ATOM 457 CD GLN A 31 -13.519 6.663 -2.808 1.00 0.00 C ATOM 458 OE1 GLN A 31 -12.284 6.208 -2.672 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -13.958 7.588 -2.126 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.806 3.462 -4.753 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.685 4.090 -2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.856 4.484 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.879 5.250 -2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.728 5.630 -4.671 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.026 6.756 -4.325 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.916 7.911 -2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.364 8.032 -1.426 1.00 0.00 H new ATOM 468 N ASN A 32 -15.609 1.599 -2.674 1.00 0.00 N ATOM 469 CA ASN A 32 -16.521 0.616 -2.100 1.00 0.00 C ATOM 470 C ASN A 32 -15.786 -0.651 -1.654 1.00 0.00 C ATOM 471 O ASN A 32 -16.414 -1.617 -1.218 1.00 0.00 O ATOM 472 CB ASN A 32 -17.607 0.244 -3.117 1.00 0.00 C ATOM 473 CG ASN A 32 -17.067 -0.526 -4.313 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.921 -0.340 -4.729 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.893 -1.394 -4.875 1.00 0.00 N ATOM 0 H ASN A 32 -15.229 1.343 -3.585 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.977 1.071 -1.221 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.370 -0.356 -2.621 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -18.094 1.154 -3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.589 -1.938 -5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.834 -1.519 -4.501 1.00 0.00 H new ATOM 482 N MET A 33 -14.460 -0.645 -1.744 1.00 0.00 N ATOM 483 CA MET A 33 -13.678 -1.841 -1.453 1.00 0.00 C ATOM 484 C MET A 33 -13.523 -2.083 0.053 1.00 0.00 C ATOM 485 O MET A 33 -13.799 -1.200 0.862 1.00 0.00 O ATOM 486 CB MET A 33 -12.315 -1.735 -2.112 1.00 0.00 C ATOM 487 CG MET A 33 -11.581 -3.048 -2.125 1.00 0.00 C ATOM 488 SD MET A 33 -10.120 -3.026 -3.154 1.00 0.00 S ATOM 489 CE MET A 33 -9.041 -2.155 -2.045 1.00 0.00 C ATOM 0 H MET A 33 -13.908 0.169 -2.014 1.00 0.00 H new ATOM 0 HA MET A 33 -14.218 -2.696 -1.860 1.00 0.00 H new ATOM 0 HB2 MET A 33 -12.436 -1.379 -3.135 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.716 -0.992 -1.585 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.296 -3.308 -1.106 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.254 -3.830 -2.477 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.858 -1.151 -2.429 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.507 -2.088 -1.062 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.095 -2.690 -1.963 1.00 0.00 H new ATOM 499 N THR A 34 -13.072 -3.290 0.408 1.00 0.00 N ATOM 500 CA THR A 34 -12.950 -3.713 1.799 1.00 0.00 C ATOM 501 C THR A 34 -11.489 -3.944 2.176 1.00 0.00 C ATOM 502 O THR A 34 -10.617 -3.964 1.302 1.00 0.00 O ATOM 503 CB THR A 34 -13.718 -5.028 2.037 1.00 0.00 C ATOM 504 OG1 THR A 34 -13.023 -6.115 1.411 1.00 0.00 O ATOM 505 CG2 THR A 34 -15.117 -4.945 1.458 1.00 0.00 C ATOM 0 H THR A 34 -12.782 -3.999 -0.265 1.00 0.00 H new ATOM 0 HA THR A 34 -13.368 -2.916 2.414 1.00 0.00 H new ATOM 0 HB THR A 34 -13.785 -5.194 3.112 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.513 -6.949 1.566 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.641 -5.884 1.637 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.660 -4.129 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.056 -4.762 0.385 1.00 0.00 H new ATOM 513 N GLN A 35 -11.223 -4.113 3.473 1.00 0.00 N ATOM 514 CA GLN A 35 -9.903 -4.542 3.931 1.00 0.00 C ATOM 515 C GLN A 35 -9.511 -5.819 3.235 1.00 0.00 C ATOM 516 O GLN A 35 -8.427 -5.926 2.693 1.00 0.00 O ATOM 517 CB GLN A 35 -9.866 -4.824 5.434 1.00 0.00 C ATOM 518 CG GLN A 35 -10.117 -3.626 6.327 1.00 0.00 C ATOM 519 CD GLN A 35 -11.564 -3.154 6.329 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.503 -4.065 6.096 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -11.834 -1.975 6.539 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.901 -3.960 4.220 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.219 -3.725 3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.610 -5.587 5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.892 -5.244 5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.825 -3.877 7.347 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.477 -2.804 6.005 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.086 -1.304 6.714 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.806 -1.667 6.538 1.00 0.00 H new ATOM 530 N ASP A 36 -10.429 -6.770 3.240 1.00 0.00 N ATOM 531 CA ASP A 36 -10.157 -8.114 2.749 1.00 0.00 C ATOM 532 C ASP A 36 -9.732 -8.096 1.286 1.00 0.00 C ATOM 533 O ASP A 36 -8.933 -8.920 0.863 1.00 0.00 O ATOM 534 CB ASP A 36 -11.394 -8.988 2.933 1.00 0.00 C ATOM 535 CG ASP A 36 -11.128 -10.446 2.610 1.00 0.00 C ATOM 536 OD1 ASP A 36 -11.638 -10.938 1.581 1.00 0.00 O ATOM 537 OD2 ASP A 36 -10.406 -11.106 3.384 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.380 -6.636 3.582 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.331 -8.530 3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.744 -8.905 3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.195 -8.618 2.293 1.00 0.00 H new ATOM 542 N GLU A 37 -10.254 -7.146 0.521 1.00 0.00 N ATOM 543 CA GLU A 37 -9.867 -6.999 -0.876 1.00 0.00 C ATOM 544 C GLU A 37 -8.486 -6.362 -0.968 1.00 0.00 C ATOM 545 O GLU A 37 -7.616 -6.839 -1.696 1.00 0.00 O ATOM 546 CB GLU A 37 -10.890 -6.141 -1.612 1.00 0.00 C ATOM 547 CG GLU A 37 -12.300 -6.710 -1.571 1.00 0.00 C ATOM 548 CD GLU A 37 -12.483 -7.857 -2.546 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.137 -9.003 -2.196 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.967 -7.614 -3.671 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.944 -6.468 0.843 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.833 -7.984 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.897 -5.142 -1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.581 -6.032 -2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.522 -7.055 -0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.015 -5.921 -1.802 1.00 0.00 H new ATOM 557 N LEU A 38 -8.298 -5.295 -0.200 1.00 0.00 N ATOM 558 CA LEU A 38 -7.014 -4.615 -0.097 1.00 0.00 C ATOM 559 C LEU A 38 -5.956 -5.596 0.428 1.00 0.00 C ATOM 560 O LEU A 38 -4.787 -5.546 0.059 1.00 0.00 O ATOM 561 CB LEU A 38 -7.187 -3.390 0.836 1.00 0.00 C ATOM 562 CG LEU A 38 -5.969 -2.477 1.031 1.00 0.00 C ATOM 563 CD1 LEU A 38 -5.154 -2.917 2.227 1.00 0.00 C ATOM 564 CD2 LEU A 38 -5.118 -2.453 -0.226 1.00 0.00 C ATOM 0 H LEU A 38 -9.034 -4.877 0.370 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.675 -4.263 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.005 -2.783 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.497 -3.753 1.816 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.325 -1.465 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.296 -2.255 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.772 -2.874 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.806 -3.939 2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.258 -1.801 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.772 -3.462 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.712 -2.079 -1.060 1.00 0.00 H new ATOM 576 N ARG A 39 -6.407 -6.506 1.265 1.00 0.00 N ATOM 577 CA ARG A 39 -5.548 -7.485 1.903 1.00 0.00 C ATOM 578 C ARG A 39 -5.243 -8.652 0.957 1.00 0.00 C ATOM 579 O ARG A 39 -4.089 -9.050 0.824 1.00 0.00 O ATOM 580 CB ARG A 39 -6.239 -7.969 3.190 1.00 0.00 C ATOM 581 CG ARG A 39 -5.333 -8.653 4.203 1.00 0.00 C ATOM 582 CD ARG A 39 -4.947 -10.048 3.762 1.00 0.00 C ATOM 583 NE ARG A 39 -4.254 -10.790 4.815 1.00 0.00 N ATOM 584 CZ ARG A 39 -4.095 -12.113 4.814 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.578 -12.844 3.815 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.453 -12.705 5.813 1.00 0.00 N ATOM 0 H ARG A 39 -7.390 -6.589 1.525 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.590 -7.029 2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.712 -7.113 3.671 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.035 -8.661 2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.433 -8.055 4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.839 -8.704 5.167 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.843 -10.594 3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.306 -9.985 2.883 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.869 -10.262 5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.072 -12.393 3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.454 -13.856 3.818 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.081 -12.147 6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.331 -13.718 5.812 1.00 0.00 H new ATOM 600 N SER A 40 -6.264 -9.187 0.290 1.00 0.00 N ATOM 601 CA SER A 40 -6.089 -10.371 -0.554 1.00 0.00 C ATOM 602 C SER A 40 -5.281 -10.057 -1.810 1.00 0.00 C ATOM 603 O SER A 40 -4.483 -10.875 -2.265 1.00 0.00 O ATOM 604 CB SER A 40 -7.446 -10.971 -0.932 1.00 0.00 C ATOM 605 OG SER A 40 -8.326 -9.976 -1.426 1.00 0.00 O ATOM 0 H SER A 40 -7.217 -8.823 0.316 1.00 0.00 H new ATOM 0 HA SER A 40 -5.528 -11.103 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.307 -11.745 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.889 -11.452 -0.060 1.00 0.00 H new ATOM 0 HG SER A 40 -8.910 -9.667 -0.702 1.00 0.00 H new ATOM 611 N LEU A 41 -5.485 -8.869 -2.358 1.00 0.00 N ATOM 612 CA LEU A 41 -4.749 -8.423 -3.527 1.00 0.00 C ATOM 613 C LEU A 41 -3.268 -8.313 -3.208 1.00 0.00 C ATOM 614 O LEU A 41 -2.425 -8.651 -4.030 1.00 0.00 O ATOM 615 CB LEU A 41 -5.337 -7.088 -3.985 1.00 0.00 C ATOM 616 CG LEU A 41 -4.923 -6.586 -5.368 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.813 -5.562 -5.253 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.494 -7.739 -6.270 1.00 0.00 C ATOM 0 H LEU A 41 -6.162 -8.192 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.843 -9.146 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.424 -7.172 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.063 -6.328 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.791 -6.109 -5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.532 -5.217 -6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.159 -4.716 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.948 -6.016 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.206 -7.349 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.646 -8.256 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.323 -8.436 -6.388 1.00 0.00 H new ATOM 630 N PHE A 42 -2.949 -7.870 -2.014 1.00 0.00 N ATOM 631 CA PHE A 42 -1.566 -7.811 -1.587 1.00 0.00 C ATOM 632 C PHE A 42 -1.095 -9.174 -1.102 1.00 0.00 C ATOM 633 O PHE A 42 0.084 -9.504 -1.176 1.00 0.00 O ATOM 634 CB PHE A 42 -1.384 -6.711 -0.546 1.00 0.00 C ATOM 635 CG PHE A 42 -1.389 -5.354 -1.186 1.00 0.00 C ATOM 636 CD1 PHE A 42 -2.556 -4.838 -1.733 1.00 0.00 C ATOM 637 CD2 PHE A 42 -0.223 -4.609 -1.284 1.00 0.00 C ATOM 638 CE1 PHE A 42 -2.556 -3.617 -2.363 1.00 0.00 C ATOM 639 CE2 PHE A 42 -0.227 -3.377 -1.908 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.392 -2.891 -2.447 1.00 0.00 C ATOM 0 H PHE A 42 -3.624 -7.546 -1.322 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.934 -7.552 -2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.183 -6.770 0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.445 -6.862 -0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.474 -5.403 -1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.696 -4.996 -0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.468 -3.229 -2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.683 -2.798 -1.972 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.394 -1.931 -2.941 1.00 0.00 H new ATOM 650 N SER A 43 -2.031 -9.991 -0.651 1.00 0.00 N ATOM 651 CA SER A 43 -1.718 -11.363 -0.303 1.00 0.00 C ATOM 652 C SER A 43 -1.412 -12.150 -1.578 1.00 0.00 C ATOM 653 O SER A 43 -0.898 -13.265 -1.530 1.00 0.00 O ATOM 654 CB SER A 43 -2.879 -12.004 0.464 1.00 0.00 C ATOM 655 OG SER A 43 -2.467 -13.192 1.124 1.00 0.00 O ATOM 0 H SER A 43 -3.008 -9.729 -0.518 1.00 0.00 H new ATOM 0 HA SER A 43 -0.842 -11.378 0.346 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.270 -11.296 1.195 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.692 -12.232 -0.226 1.00 0.00 H new ATOM 0 HG SER A 43 -1.889 -13.713 0.529 1.00 0.00 H new ATOM 661 N SER A 44 -1.734 -11.555 -2.727 1.00 0.00 N ATOM 662 CA SER A 44 -1.401 -12.155 -4.005 1.00 0.00 C ATOM 663 C SER A 44 0.106 -12.069 -4.223 1.00 0.00 C ATOM 664 O SER A 44 0.728 -13.000 -4.734 1.00 0.00 O ATOM 665 CB SER A 44 -2.163 -11.463 -5.147 1.00 0.00 C ATOM 666 OG SER A 44 -1.443 -10.358 -5.671 1.00 0.00 O ATOM 0 H SER A 44 -2.223 -10.662 -2.792 1.00 0.00 H new ATOM 0 HA SER A 44 -1.700 -13.203 -4.000 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.354 -12.182 -5.944 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.133 -11.124 -4.783 1.00 0.00 H new ATOM 0 HG SER A 44 -1.849 -9.524 -5.356 1.00 0.00 H new ATOM 672 N ILE A 45 0.683 -10.943 -3.811 1.00 0.00 N ATOM 673 CA ILE A 45 2.132 -10.758 -3.830 1.00 0.00 C ATOM 674 C ILE A 45 2.818 -11.754 -2.904 1.00 0.00 C ATOM 675 O ILE A 45 3.790 -12.404 -3.288 1.00 0.00 O ATOM 676 CB ILE A 45 2.514 -9.311 -3.425 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.186 -8.349 -4.560 1.00 0.00 C ATOM 678 CG2 ILE A 45 3.994 -9.197 -3.051 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.206 -8.361 -5.662 1.00 0.00 C ATOM 0 H ILE A 45 0.165 -10.139 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 45 2.473 -10.935 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 45 1.929 -9.048 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.211 -8.605 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.106 -7.339 -4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.221 -8.168 -2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.208 -9.855 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.608 -9.487 -3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.912 -7.654 -6.438 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.178 -8.076 -5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.269 -9.362 -6.088 1.00 0.00 H new ATOM 691 N GLY A 46 2.283 -11.902 -1.703 1.00 0.00 N ATOM 692 CA GLY A 46 2.912 -12.755 -0.718 1.00 0.00 C ATOM 693 C GLY A 46 2.183 -12.734 0.602 1.00 0.00 C ATOM 694 O GLY A 46 0.956 -12.831 0.642 1.00 0.00 O ATOM 0 H GLY A 46 1.425 -11.447 -1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.948 -13.777 -1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.943 -12.434 -0.567 1.00 0.00 H new ATOM 698 N GLU A 47 2.925 -12.605 1.690 1.00 0.00 N ATOM 699 CA GLU A 47 2.323 -12.602 3.010 1.00 0.00 C ATOM 700 C GLU A 47 2.159 -11.208 3.558 1.00 0.00 C ATOM 701 O GLU A 47 3.122 -10.458 3.738 1.00 0.00 O ATOM 702 CB GLU A 47 3.113 -13.463 3.983 1.00 0.00 C ATOM 703 CG GLU A 47 2.755 -14.928 3.889 1.00 0.00 C ATOM 704 CD GLU A 47 3.660 -15.803 4.722 1.00 0.00 C ATOM 705 OE1 GLU A 47 3.197 -16.331 5.756 1.00 0.00 O ATOM 706 OE2 GLU A 47 4.842 -15.967 4.352 1.00 0.00 O1- ATOM 0 H GLU A 47 3.940 -12.502 1.684 1.00 0.00 H new ATOM 0 HA GLU A 47 1.328 -13.032 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.178 -13.340 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.933 -13.114 5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.723 -15.067 4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.808 -15.245 2.847 1.00 0.00 H new ATOM 713 N VAL A 48 0.919 -10.893 3.835 1.00 0.00 N ATOM 714 CA VAL A 48 0.547 -9.609 4.381 1.00 0.00 C ATOM 715 C VAL A 48 0.389 -9.710 5.868 1.00 0.00 C ATOM 716 O VAL A 48 -0.453 -10.444 6.380 1.00 0.00 O ATOM 717 CB VAL A 48 -0.755 -9.088 3.746 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.231 -7.816 4.429 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.553 -8.870 2.258 1.00 0.00 C ATOM 0 H VAL A 48 0.132 -11.524 3.687 1.00 0.00 H new ATOM 0 HA VAL A 48 1.342 -8.900 4.150 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.533 -9.838 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.152 -7.473 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.416 -8.017 5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.467 -7.045 4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.478 -8.501 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.240 -8.139 2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.276 -9.813 1.786 1.00 0.00 H new ATOM 729 N GLU A 49 1.231 -8.962 6.542 1.00 0.00 N ATOM 730 CA GLU A 49 1.248 -8.914 7.966 1.00 0.00 C ATOM 731 C GLU A 49 -0.071 -8.356 8.484 1.00 0.00 C ATOM 732 O GLU A 49 -0.703 -8.939 9.364 1.00 0.00 O ATOM 733 CB GLU A 49 2.411 -8.072 8.412 1.00 0.00 C ATOM 734 CG GLU A 49 2.663 -8.154 9.895 1.00 0.00 C ATOM 735 CD GLU A 49 1.797 -7.214 10.717 1.00 0.00 C ATOM 736 OE1 GLU A 49 1.132 -7.683 11.663 1.00 0.00 O ATOM 737 OE2 GLU A 49 1.768 -6.006 10.413 1.00 0.00 O1- ATOM 0 H GLU A 49 1.930 -8.365 6.100 1.00 0.00 H new ATOM 0 HA GLU A 49 1.365 -9.918 8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.307 -8.389 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.227 -7.033 8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.489 -9.177 10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.712 -7.930 10.089 1.00 0.00 H new ATOM 744 N SER A 50 -0.483 -7.226 7.922 1.00 0.00 N ATOM 745 CA SER A 50 -1.758 -6.618 8.277 1.00 0.00 C ATOM 746 C SER A 50 -2.183 -5.607 7.218 1.00 0.00 C ATOM 747 O SER A 50 -1.403 -4.736 6.840 1.00 0.00 O ATOM 748 CB SER A 50 -1.651 -5.935 9.643 1.00 0.00 C ATOM 749 OG SER A 50 -0.591 -4.987 9.663 1.00 0.00 O ATOM 0 H SER A 50 0.048 -6.713 7.218 1.00 0.00 H new ATOM 0 HA SER A 50 -2.513 -7.402 8.329 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.592 -5.437 9.878 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.486 -6.686 10.416 1.00 0.00 H new ATOM 0 HG SER A 50 0.230 -5.421 9.977 1.00 0.00 H new ATOM 755 N ALA A 51 -3.410 -5.719 6.737 1.00 0.00 N ATOM 756 CA ALA A 51 -3.909 -4.778 5.751 1.00 0.00 C ATOM 757 C ALA A 51 -5.087 -3.994 6.295 1.00 0.00 C ATOM 758 O ALA A 51 -6.093 -4.560 6.723 1.00 0.00 O ATOM 759 CB ALA A 51 -4.266 -5.475 4.454 1.00 0.00 C ATOM 0 H ALA A 51 -4.072 -6.445 7.010 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.109 -4.071 5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.636 -4.742 3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.381 -5.964 4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.038 -6.221 4.642 1.00 0.00 H new ATOM 765 N LYS A 52 -4.939 -2.686 6.291 1.00 0.00 N ATOM 766 CA LYS A 52 -5.927 -1.789 6.832 1.00 0.00 C ATOM 767 C LYS A 52 -6.586 -0.993 5.713 1.00 0.00 C ATOM 768 O LYS A 52 -5.902 -0.408 4.877 1.00 0.00 O ATOM 769 CB LYS A 52 -5.227 -0.849 7.802 1.00 0.00 C ATOM 770 CG LYS A 52 -6.138 0.117 8.519 1.00 0.00 C ATOM 771 CD LYS A 52 -5.342 1.307 9.005 1.00 0.00 C ATOM 772 CE LYS A 52 -4.317 0.915 10.054 1.00 0.00 C ATOM 773 NZ LYS A 52 -4.946 0.336 11.272 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.120 -2.215 5.907 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.705 -2.353 7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.697 -1.445 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.476 -0.279 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.932 0.448 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.619 -0.380 9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.836 1.774 8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.021 2.052 9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.623 0.191 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.732 1.792 10.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.238 0.273 12.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.731 0.944 11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.309 -0.615 11.057 1.00 0.00 H new ATOM 787 N LEU A 53 -7.903 -0.983 5.699 1.00 0.00 N ATOM 788 CA LEU A 53 -8.656 -0.200 4.737 1.00 0.00 C ATOM 789 C LEU A 53 -9.201 1.032 5.429 1.00 0.00 C ATOM 790 O LEU A 53 -9.798 0.934 6.502 1.00 0.00 O ATOM 791 CB LEU A 53 -9.802 -1.024 4.159 1.00 0.00 C ATOM 792 CG LEU A 53 -10.781 -0.259 3.273 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.455 -0.452 1.802 1.00 0.00 C ATOM 794 CD2 LEU A 53 -12.200 -0.701 3.566 1.00 0.00 C ATOM 0 H LEU A 53 -8.481 -1.514 6.350 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.001 0.095 3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.380 -1.845 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.358 -1.470 4.984 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.688 0.804 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.169 0.105 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.447 -0.088 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.514 -1.511 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.892 -0.150 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.297 -1.769 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.434 -0.503 4.612 1.00 0.00 H new ATOM 806 N ILE A 54 -8.994 2.186 4.834 1.00 0.00 N ATOM 807 CA ILE A 54 -9.407 3.425 5.465 1.00 0.00 C ATOM 808 C ILE A 54 -10.765 3.857 4.959 1.00 0.00 C ATOM 809 O ILE A 54 -10.972 4.002 3.754 1.00 0.00 O ATOM 810 CB ILE A 54 -8.410 4.564 5.211 1.00 0.00 C ATOM 811 CG1 ILE A 54 -7.000 4.165 5.645 1.00 0.00 C ATOM 812 CG2 ILE A 54 -8.854 5.831 5.931 1.00 0.00 C ATOM 813 CD1 ILE A 54 -6.909 3.626 7.054 1.00 0.00 C ATOM 0 H ILE A 54 -8.547 2.295 3.924 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.449 3.226 6.536 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.389 4.763 4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.621 3.411 4.955 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.347 5.033 5.558 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.136 6.629 5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.836 6.132 5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.908 5.640 7.003 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.874 3.368 7.279 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.255 4.384 7.757 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.532 2.736 7.144 1.00 0.00 H new ATOM 934 N SER A 62 -14.793 3.897 1.943 1.00 0.00 N ATOM 935 CA SER A 62 -13.360 3.869 1.710 1.00 0.00 C ATOM 936 C SER A 62 -12.880 5.251 1.285 1.00 0.00 C ATOM 937 O SER A 62 -13.332 5.793 0.279 1.00 0.00 O ATOM 938 CB SER A 62 -13.008 2.830 0.647 1.00 0.00 C ATOM 939 OG SER A 62 -13.672 1.606 0.906 1.00 0.00 O ATOM 0 HA SER A 62 -12.858 3.589 2.636 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.289 3.201 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.930 2.669 0.631 1.00 0.00 H new ATOM 0 HG SER A 62 -14.454 1.772 1.473 1.00 0.00 H new ATOM 945 N LEU A 63 -11.973 5.821 2.060 1.00 0.00 N ATOM 946 CA LEU A 63 -11.549 7.195 1.845 1.00 0.00 C ATOM 947 C LEU A 63 -10.438 7.271 0.803 1.00 0.00 C ATOM 948 O LEU A 63 -9.707 8.259 0.721 1.00 0.00 O ATOM 949 CB LEU A 63 -11.110 7.835 3.166 1.00 0.00 C ATOM 950 CG LEU A 63 -12.190 7.896 4.258 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.752 8.826 5.374 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.532 8.333 3.677 1.00 0.00 C ATOM 0 H LEU A 63 -11.516 5.354 2.843 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.400 7.757 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.256 7.279 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.765 8.849 2.962 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.320 6.896 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.525 8.862 6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.823 8.459 5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.593 9.827 4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.278 8.368 4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.430 9.322 3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.847 7.621 2.914 1.00 0.00 H new ATOM 964 N GLY A 64 -10.318 6.208 0.019 1.00 0.00 N ATOM 965 CA GLY A 64 -9.443 6.217 -1.130 1.00 0.00 C ATOM 966 C GLY A 64 -8.015 5.821 -0.819 1.00 0.00 C ATOM 967 O GLY A 64 -7.113 6.132 -1.591 1.00 0.00 O ATOM 0 H GLY A 64 -10.819 5.331 0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.842 5.537 -1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.445 7.215 -1.568 1.00 0.00 H new ATOM 971 N TYR A 65 -7.795 5.129 0.292 1.00 0.00 N ATOM 972 CA TYR A 65 -6.452 4.672 0.634 1.00 0.00 C ATOM 973 C TYR A 65 -6.481 3.658 1.773 1.00 0.00 C ATOM 974 O TYR A 65 -7.505 3.482 2.437 1.00 0.00 O ATOM 975 CB TYR A 65 -5.527 5.854 0.982 1.00 0.00 C ATOM 976 CG TYR A 65 -5.844 6.572 2.265 1.00 0.00 C ATOM 977 CD1 TYR A 65 -6.971 7.371 2.389 1.00 0.00 C ATOM 978 CD2 TYR A 65 -4.988 6.471 3.347 1.00 0.00 C ATOM 979 CE1 TYR A 65 -7.236 8.049 3.560 1.00 0.00 C ATOM 980 CE2 TYR A 65 -5.245 7.140 4.521 1.00 0.00 C ATOM 981 CZ TYR A 65 -6.368 7.929 4.627 1.00 0.00 C ATOM 982 OH TYR A 65 -6.626 8.600 5.801 1.00 0.00 O ATOM 0 H TYR A 65 -8.518 4.874 0.965 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.047 4.176 -0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.502 5.486 1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.565 6.574 0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.651 7.463 1.555 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.103 5.857 3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.116 8.669 3.642 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.568 7.047 5.357 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.918 8.407 6.451 1.00 0.00 H new ATOM 992 N GLY A 66 -5.355 2.986 1.966 1.00 0.00 N ATOM 993 CA GLY A 66 -5.227 1.987 3.006 1.00 0.00 C ATOM 994 C GLY A 66 -3.776 1.683 3.308 1.00 0.00 C ATOM 995 O GLY A 66 -2.881 2.256 2.685 1.00 0.00 O ATOM 0 H GLY A 66 -4.512 3.120 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.722 2.338 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.735 1.073 2.698 1.00 0.00 H new ATOM 999 N PHE A 67 -3.540 0.784 4.251 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.185 0.467 4.685 1.00 0.00 C ATOM 1001 C PHE A 67 -2.022 -1.035 4.869 1.00 0.00 C ATOM 1002 O PHE A 67 -2.557 -1.611 5.814 1.00 0.00 O ATOM 1003 CB PHE A 67 -1.872 1.167 6.015 1.00 0.00 C ATOM 1004 CG PHE A 67 -1.969 2.664 5.971 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -0.865 3.431 5.647 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -3.161 3.304 6.264 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -0.947 4.810 5.611 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -3.251 4.681 6.229 1.00 0.00 C ATOM 1009 CZ PHE A 67 -2.143 5.436 5.903 1.00 0.00 C ATOM 0 H PHE A 67 -4.270 0.259 4.732 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.496 0.816 3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.557 0.794 6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.865 0.890 6.328 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.073 2.946 5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.031 2.719 6.523 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.077 5.397 5.355 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.188 5.167 6.457 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.211 6.514 5.876 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.285 -1.669 3.974 1.00 0.00 N ATOM 1020 CA VAL A 68 -0.984 -3.078 4.109 1.00 0.00 C ATOM 1021 C VAL A 68 0.491 -3.286 4.421 1.00 0.00 C ATOM 1022 O VAL A 68 1.372 -2.973 3.628 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.441 -3.903 2.874 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.756 -3.002 1.705 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.429 -4.974 2.469 1.00 0.00 C ATOM 0 H VAL A 68 -0.885 -1.227 3.146 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.561 -3.456 4.953 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.351 -4.423 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.073 -3.606 0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.556 -2.315 1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.867 -2.433 1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.802 -5.518 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.521 -4.501 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.283 -5.668 3.297 1.00 0.00 H new ATOM 1035 N ASN A 69 0.734 -3.762 5.624 1.00 0.00 N ATOM 1036 CA ASN A 69 2.065 -4.096 6.074 1.00 0.00 C ATOM 1037 C ASN A 69 2.412 -5.493 5.616 1.00 0.00 C ATOM 1038 O ASN A 69 1.637 -6.421 5.826 1.00 0.00 O ATOM 1039 CB ASN A 69 2.131 -4.040 7.595 1.00 0.00 C ATOM 1040 CG ASN A 69 3.554 -4.079 8.111 1.00 0.00 C ATOM 1041 OD1 ASN A 69 4.463 -3.536 7.497 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.758 -4.746 9.226 1.00 0.00 N ATOM 0 H ASN A 69 0.007 -3.928 6.320 1.00 0.00 H new ATOM 0 HA ASN A 69 2.772 -3.380 5.656 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.645 -3.129 7.944 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.573 -4.878 8.012 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.700 -4.824 9.608 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.974 -5.185 9.709 1.00 0.00 H new ATOM 1049 N TYR A 70 3.545 -5.643 4.972 1.00 0.00 N ATOM 1050 CA TYR A 70 4.024 -6.955 4.605 1.00 0.00 C ATOM 1051 C TYR A 70 4.958 -7.490 5.669 1.00 0.00 C ATOM 1052 O TYR A 70 5.422 -6.756 6.541 1.00 0.00 O ATOM 1053 CB TYR A 70 4.761 -6.908 3.269 1.00 0.00 C ATOM 1054 CG TYR A 70 3.880 -6.977 2.048 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.292 -8.176 1.673 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.658 -5.860 1.255 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.509 -8.261 0.544 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.872 -5.939 0.129 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.299 -7.139 -0.223 1.00 0.00 C ATOM 1060 OH TYR A 70 1.527 -7.220 -1.351 1.00 0.00 O ATOM 0 H TYR A 70 4.152 -4.873 4.691 1.00 0.00 H new ATOM 0 HA TYR A 70 3.160 -7.614 4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.344 -5.988 3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.469 -7.736 3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.451 -9.057 2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.108 -4.916 1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.062 -9.203 0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.705 -5.061 -0.477 1.00 0.00 H new ATOM 0 HH TYR A 70 0.990 -8.039 -1.322 1.00 0.00 H new ATOM 1070 N VAL A 71 5.222 -8.783 5.593 1.00 0.00 N ATOM 1071 CA VAL A 71 6.177 -9.420 6.479 1.00 0.00 C ATOM 1072 C VAL A 71 7.591 -9.215 5.945 1.00 0.00 C ATOM 1073 O VAL A 71 8.579 -9.538 6.598 1.00 0.00 O ATOM 1074 CB VAL A 71 5.889 -10.927 6.618 1.00 0.00 C ATOM 1075 CG1 VAL A 71 4.487 -11.137 7.168 1.00 0.00 C ATOM 1076 CG2 VAL A 71 6.051 -11.638 5.282 1.00 0.00 C ATOM 0 H VAL A 71 4.785 -9.414 4.922 1.00 0.00 H new ATOM 0 HA VAL A 71 6.085 -8.962 7.464 1.00 0.00 H new ATOM 0 HB VAL A 71 6.611 -11.355 7.314 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.290 -12.205 7.264 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.405 -10.664 8.146 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.759 -10.693 6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.842 -12.700 5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.355 -11.214 4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.072 -11.509 4.923 1.00 0.00 H new ATOM 1086 N THR A 72 7.654 -8.669 4.740 1.00 0.00 N ATOM 1087 CA THR A 72 8.904 -8.411 4.048 1.00 0.00 C ATOM 1088 C THR A 72 8.893 -7.028 3.422 1.00 0.00 C ATOM 1089 O THR A 72 7.844 -6.522 3.026 1.00 0.00 O ATOM 1090 CB THR A 72 9.112 -9.418 2.909 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.843 -9.730 2.327 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.799 -10.687 3.374 1.00 0.00 C ATOM 0 H THR A 72 6.828 -8.390 4.211 1.00 0.00 H new ATOM 0 HA THR A 72 9.702 -8.495 4.786 1.00 0.00 H new ATOM 0 HB THR A 72 9.768 -8.959 2.169 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.946 -10.474 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.922 -11.365 2.529 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.777 -10.441 3.787 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.193 -11.169 4.141 1.00 0.00 H new ATOM 1100 N ALA A 73 10.059 -6.413 3.331 1.00 0.00 N ATOM 1101 CA ALA A 73 10.209 -5.208 2.537 1.00 0.00 C ATOM 1102 C ALA A 73 10.436 -5.619 1.092 1.00 0.00 C ATOM 1103 O ALA A 73 10.262 -4.832 0.160 1.00 0.00 O ATOM 1104 CB ALA A 73 11.355 -4.350 3.053 1.00 0.00 C ATOM 0 H ALA A 73 10.912 -6.727 3.795 1.00 0.00 H new ATOM 0 HA ALA A 73 9.306 -4.601 2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.444 -3.454 2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.159 -4.064 4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.285 -4.917 3.004 1.00 0.00 H new ATOM 1110 N LYS A 74 10.815 -6.882 0.941 1.00 0.00 N ATOM 1111 CA LYS A 74 10.988 -7.521 -0.350 1.00 0.00 C ATOM 1112 C LYS A 74 9.660 -7.601 -1.103 1.00 0.00 C ATOM 1113 O LYS A 74 9.552 -7.135 -2.237 1.00 0.00 O ATOM 1114 CB LYS A 74 11.591 -8.908 -0.123 1.00 0.00 C ATOM 1115 CG LYS A 74 11.537 -9.815 -1.330 1.00 0.00 C ATOM 1116 CD LYS A 74 10.602 -10.978 -1.076 1.00 0.00 C ATOM 1117 CE LYS A 74 10.141 -11.590 -2.380 1.00 0.00 C ATOM 1118 NZ LYS A 74 9.153 -12.680 -2.163 1.00 0.00 N1+ ATOM 0 H LYS A 74 11.013 -7.499 1.729 1.00 0.00 H new ATOM 0 HA LYS A 74 11.663 -6.931 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.630 -8.793 0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.066 -9.389 0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.199 -9.252 -2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.536 -10.187 -1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.108 -11.732 -0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.739 -10.639 -0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.697 -10.817 -3.007 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.002 -11.983 -2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.281 -13.414 -2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.296 -13.096 -1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.190 -12.293 -2.228 1.00 0.00 H new ATOM 1132 N ASP A 75 8.644 -8.167 -0.462 1.00 0.00 N ATOM 1133 CA ASP A 75 7.323 -8.277 -1.076 1.00 0.00 C ATOM 1134 C ASP A 75 6.614 -6.928 -1.063 1.00 0.00 C ATOM 1135 O ASP A 75 5.649 -6.717 -1.793 1.00 0.00 O ATOM 1136 CB ASP A 75 6.479 -9.343 -0.373 1.00 0.00 C ATOM 1137 CG ASP A 75 7.010 -10.747 -0.613 1.00 0.00 C ATOM 1138 OD1 ASP A 75 7.567 -11.354 0.328 1.00 0.00 O ATOM 1139 OD2 ASP A 75 6.898 -11.243 -1.751 1.00 0.00 O1- ATOM 0 H ASP A 75 8.707 -8.556 0.479 1.00 0.00 H new ATOM 0 HA ASP A 75 7.454 -8.585 -2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.461 -9.141 0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.450 -9.280 -0.726 1.00 0.00 H new ATOM 1144 N ALA A 76 7.106 -6.011 -0.241 1.00 0.00 N ATOM 1145 CA ALA A 76 6.608 -4.640 -0.242 1.00 0.00 C ATOM 1146 C ALA A 76 6.950 -3.962 -1.562 1.00 0.00 C ATOM 1147 O ALA A 76 6.072 -3.449 -2.251 1.00 0.00 O ATOM 1148 CB ALA A 76 7.184 -3.861 0.931 1.00 0.00 C ATOM 0 H ALA A 76 7.849 -6.190 0.435 1.00 0.00 H new ATOM 0 HA ALA A 76 5.524 -4.660 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.801 -2.841 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.893 -4.342 1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.271 -3.842 0.856 1.00 0.00 H new ATOM 1154 N GLU A 77 8.227 -3.988 -1.926 1.00 0.00 N ATOM 1155 CA GLU A 77 8.662 -3.491 -3.225 1.00 0.00 C ATOM 1156 C GLU A 77 8.017 -4.309 -4.332 1.00 0.00 C ATOM 1157 O GLU A 77 7.680 -3.779 -5.391 1.00 0.00 O ATOM 1158 CB GLU A 77 10.187 -3.550 -3.329 1.00 0.00 C ATOM 1159 CG GLU A 77 10.714 -3.301 -4.731 1.00 0.00 C ATOM 1160 CD GLU A 77 12.225 -3.252 -4.785 1.00 0.00 C ATOM 1161 OE1 GLU A 77 12.795 -2.141 -4.718 1.00 0.00 O ATOM 1162 OE2 GLU A 77 12.854 -4.324 -4.900 1.00 0.00 O1- ATOM 0 H GLU A 77 8.979 -4.348 -1.339 1.00 0.00 H new ATOM 0 HA GLU A 77 8.352 -2.452 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.617 -2.812 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.528 -4.529 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.356 -4.088 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.310 -2.360 -5.105 1.00 0.00 H new ATOM 1169 N ARG A 78 7.800 -5.591 -4.058 1.00 0.00 N ATOM 1170 CA ARG A 78 7.184 -6.482 -5.015 1.00 0.00 C ATOM 1171 C ARG A 78 5.763 -6.022 -5.296 1.00 0.00 C ATOM 1172 O ARG A 78 5.290 -6.072 -6.424 1.00 0.00 O ATOM 1173 CB ARG A 78 7.200 -7.903 -4.474 1.00 0.00 C ATOM 1174 CG ARG A 78 6.766 -8.950 -5.473 1.00 0.00 C ATOM 1175 CD ARG A 78 7.134 -10.335 -4.987 1.00 0.00 C ATOM 1176 NE ARG A 78 6.691 -11.379 -5.905 1.00 0.00 N ATOM 1177 CZ ARG A 78 7.510 -12.167 -6.595 1.00 0.00 C ATOM 1178 NH1 ARG A 78 8.826 -11.985 -6.543 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 7.009 -13.128 -7.356 1.00 0.00 N ATOM 0 H ARG A 78 8.046 -6.032 -3.172 1.00 0.00 H new ATOM 0 HA ARG A 78 7.743 -6.465 -5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.208 -8.139 -4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.547 -7.956 -3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.689 -8.888 -5.629 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.239 -8.759 -6.436 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.215 -10.399 -4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.689 -10.504 -4.006 1.00 0.00 H new ATOM 0 HE ARG A 78 5.687 -11.513 -6.025 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.215 -11.236 -5.970 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.447 -12.594 -7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.999 -13.261 -7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.633 -13.735 -7.887 1.00 0.00 H new ATOM 1193 N ALA A 79 5.092 -5.540 -4.261 1.00 0.00 N ATOM 1194 CA ALA A 79 3.752 -5.013 -4.419 1.00 0.00 C ATOM 1195 C ALA A 79 3.782 -3.690 -5.162 1.00 0.00 C ATOM 1196 O ALA A 79 2.879 -3.382 -5.929 1.00 0.00 O ATOM 1197 CB ALA A 79 3.059 -4.858 -3.075 1.00 0.00 C ATOM 0 H ALA A 79 5.454 -5.504 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 79 3.179 -5.728 -5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.055 -4.461 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.994 -5.829 -2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.630 -4.173 -2.448 1.00 0.00 H new ATOM 1203 N ILE A 80 4.821 -2.903 -4.941 1.00 0.00 N ATOM 1204 CA ILE A 80 4.939 -1.622 -5.621 1.00 0.00 C ATOM 1205 C ILE A 80 5.224 -1.783 -7.107 1.00 0.00 C ATOM 1206 O ILE A 80 4.742 -1.006 -7.927 1.00 0.00 O ATOM 1207 CB ILE A 80 6.020 -0.747 -4.997 1.00 0.00 C ATOM 1208 CG1 ILE A 80 5.808 -0.650 -3.492 1.00 0.00 C ATOM 1209 CG2 ILE A 80 5.987 0.635 -5.621 1.00 0.00 C ATOM 1210 CD1 ILE A 80 6.898 0.093 -2.777 1.00 0.00 C ATOM 0 H ILE A 80 5.587 -3.123 -4.304 1.00 0.00 H new ATOM 0 HA ILE A 80 3.972 -1.133 -5.503 1.00 0.00 H new ATOM 0 HB ILE A 80 6.995 -1.196 -5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.856 -0.155 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.734 -1.656 -3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.762 1.256 -5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.164 0.554 -6.694 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.012 1.089 -5.447 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.679 0.122 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.850 -0.413 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.958 1.111 -3.163 1.00 0.00 H new ATOM 1222 N ASN A 81 6.002 -2.776 -7.471 1.00 0.00 N ATOM 1223 CA ASN A 81 6.324 -2.951 -8.871 1.00 0.00 C ATOM 1224 C ASN A 81 5.254 -3.760 -9.578 1.00 0.00 C ATOM 1225 O ASN A 81 5.038 -3.610 -10.780 1.00 0.00 O ATOM 1226 CB ASN A 81 7.706 -3.579 -9.054 1.00 0.00 C ATOM 1227 CG ASN A 81 7.910 -4.906 -8.340 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.103 -5.829 -8.446 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.009 -5.000 -7.605 1.00 0.00 N ATOM 0 H ASN A 81 6.415 -3.460 -6.837 1.00 0.00 H new ATOM 0 HA ASN A 81 6.353 -1.962 -9.329 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.883 -3.726 -10.119 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.458 -2.874 -8.700 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.212 -5.862 -7.100 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.651 -4.210 -7.545 1.00 0.00 H new ATOM 1236 N THR A 82 4.600 -4.622 -8.829 1.00 0.00 N ATOM 1237 CA THR A 82 3.561 -5.464 -9.372 1.00 0.00 C ATOM 1238 C THR A 82 2.165 -4.838 -9.225 1.00 0.00 C ATOM 1239 O THR A 82 1.495 -4.542 -10.212 1.00 0.00 O ATOM 1240 CB THR A 82 3.600 -6.842 -8.693 1.00 0.00 C ATOM 1241 OG1 THR A 82 4.779 -7.549 -9.099 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.352 -7.669 -8.987 1.00 0.00 C ATOM 0 H THR A 82 4.774 -4.757 -7.833 1.00 0.00 H new ATOM 0 HA THR A 82 3.752 -5.574 -10.440 1.00 0.00 H new ATOM 0 HB THR A 82 3.624 -6.679 -7.615 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.570 -7.000 -8.914 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.428 -8.633 -8.485 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.471 -7.140 -8.624 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.264 -7.826 -10.062 1.00 0.00 H new ATOM 1250 N LEU A 83 1.751 -4.618 -7.982 1.00 0.00 N ATOM 1251 CA LEU A 83 0.375 -4.238 -7.669 1.00 0.00 C ATOM 1252 C LEU A 83 0.107 -2.742 -7.817 1.00 0.00 C ATOM 1253 O LEU A 83 -1.039 -2.332 -7.967 1.00 0.00 O ATOM 1254 CB LEU A 83 0.035 -4.650 -6.245 1.00 0.00 C ATOM 1255 CG LEU A 83 -0.057 -6.157 -5.988 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.507 -6.414 -4.565 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.998 -6.838 -6.967 1.00 0.00 C ATOM 0 H LEU A 83 2.356 -4.697 -7.165 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.253 -4.758 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.788 -4.233 -5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.918 -4.196 -5.974 1.00 0.00 H new ATOM 0 HG LEU A 83 0.936 -6.581 -6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.570 -7.488 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.211 -5.976 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.487 -5.963 -4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.036 -7.906 -6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.996 -6.412 -6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.637 -6.685 -7.984 1.00 0.00 H new ATOM 1269 N ASN A 84 1.135 -1.918 -7.726 1.00 0.00 N ATOM 1270 CA ASN A 84 0.942 -0.481 -7.853 1.00 0.00 C ATOM 1271 C ASN A 84 0.503 -0.127 -9.272 1.00 0.00 C ATOM 1272 O ASN A 84 1.281 -0.219 -10.224 1.00 0.00 O ATOM 1273 CB ASN A 84 2.221 0.245 -7.438 1.00 0.00 C ATOM 1274 CG ASN A 84 2.189 1.741 -7.663 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.129 2.360 -7.713 1.00 0.00 O ATOM 1276 ND2 ASN A 84 3.368 2.333 -7.761 1.00 0.00 N ATOM 0 H ASN A 84 2.099 -2.211 -7.567 1.00 0.00 H new ATOM 0 HA ASN A 84 0.145 -0.153 -7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.408 0.052 -6.382 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.060 -0.176 -7.992 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.422 3.344 -7.884 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.223 1.778 -7.714 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.759 0.270 -9.388 1.00 0.00 N ATOM 1284 CA GLY A 85 -1.385 0.475 -10.680 1.00 0.00 C ATOM 1285 C GLY A 85 -2.268 -0.697 -11.057 1.00 0.00 C ATOM 1286 O GLY A 85 -2.524 -0.942 -12.235 1.00 0.00 O ATOM 0 H GLY A 85 -1.370 0.457 -8.593 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.980 1.388 -10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.617 0.614 -11.441 1.00 0.00 H new ATOM 1290 N LEU A 86 -2.735 -1.419 -10.048 1.00 0.00 N ATOM 1291 CA LEU A 86 -3.594 -2.576 -10.259 1.00 0.00 C ATOM 1292 C LEU A 86 -5.040 -2.131 -10.377 1.00 0.00 C ATOM 1293 O LEU A 86 -5.470 -1.217 -9.674 1.00 0.00 O ATOM 1294 CB LEU A 86 -3.462 -3.555 -9.085 1.00 0.00 C ATOM 1295 CG LEU A 86 -3.259 -5.028 -9.449 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -4.466 -5.584 -10.187 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.995 -5.195 -10.276 1.00 0.00 C ATOM 0 H LEU A 86 -2.532 -1.222 -9.068 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.288 -3.073 -11.179 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.623 -3.237 -8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.359 -3.475 -8.470 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.148 -5.596 -8.525 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.292 -6.632 -10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.349 -5.501 -9.554 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.624 -5.018 -11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.862 -6.247 -10.529 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.079 -4.610 -11.192 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.136 -4.848 -9.702 1.00 0.00 H new ATOM 1309 N ARG A 87 -5.780 -2.768 -11.267 1.00 0.00 N ATOM 1310 CA ARG A 87 -7.197 -2.498 -11.400 1.00 0.00 C ATOM 1311 C ARG A 87 -7.995 -3.324 -10.398 1.00 0.00 C ATOM 1312 O ARG A 87 -8.421 -4.441 -10.689 1.00 0.00 O ATOM 1313 CB ARG A 87 -7.668 -2.790 -12.825 1.00 0.00 C ATOM 1314 CG ARG A 87 -7.155 -1.789 -13.847 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.794 -0.423 -13.659 1.00 0.00 C ATOM 1316 NE ARG A 87 -7.326 0.543 -14.653 1.00 0.00 N ATOM 1317 CZ ARG A 87 -7.941 1.698 -14.918 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -9.059 2.027 -14.279 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -7.436 2.525 -15.827 1.00 0.00 N ATOM 0 H ARG A 87 -5.421 -3.476 -11.908 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.365 -1.442 -11.190 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.340 -3.790 -13.110 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.758 -2.794 -12.846 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.072 -1.700 -13.759 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.364 -2.154 -14.852 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.878 -0.517 -13.728 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.569 -0.052 -12.659 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.479 0.321 -15.175 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.452 1.395 -13.581 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.524 2.911 -14.486 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.579 2.277 -16.322 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.905 3.408 -16.030 1.00 0.00 H new ATOM 1333 N LEU A 88 -8.176 -2.767 -9.214 1.00 0.00 N ATOM 1334 CA LEU A 88 -9.017 -3.364 -8.195 1.00 0.00 C ATOM 1335 C LEU A 88 -10.445 -2.904 -8.385 1.00 0.00 C ATOM 1336 O LEU A 88 -10.746 -1.728 -8.195 1.00 0.00 O ATOM 1337 CB LEU A 88 -8.530 -2.974 -6.803 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.717 -4.045 -6.086 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -7.141 -3.493 -4.799 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.593 -5.250 -5.792 1.00 0.00 C ATOM 0 H LEU A 88 -7.743 -1.887 -8.933 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.967 -4.449 -8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.924 -2.072 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -9.394 -2.722 -6.189 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.895 -4.353 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.563 -4.269 -4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.493 -2.646 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.952 -3.167 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.005 -6.011 -5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.427 -4.948 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.977 -5.657 -6.727 1.00 0.00 H new ATOM 1352 N GLN A 89 -11.316 -3.818 -8.796 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.713 -3.484 -9.053 1.00 0.00 C ATOM 1354 C GLN A 89 -12.800 -2.381 -10.103 1.00 0.00 C ATOM 1355 O GLN A 89 -13.699 -1.535 -10.064 1.00 0.00 O ATOM 1356 CB GLN A 89 -13.391 -3.044 -7.765 1.00 0.00 C ATOM 1357 CG GLN A 89 -13.415 -4.117 -6.692 1.00 0.00 C ATOM 1358 CD GLN A 89 -14.053 -3.646 -5.402 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.884 -2.376 -5.089 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.684 -4.417 -4.686 1.00 0.00 N flip ATOM 0 H GLN A 89 -11.080 -4.797 -8.959 1.00 0.00 H new ATOM 0 HA GLN A 89 -13.226 -4.368 -9.431 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.877 -2.165 -7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.414 -2.742 -7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.959 -4.985 -7.065 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.395 -4.444 -6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.794 -5.393 -4.960 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.098 -4.082 -3.816 1.00 0.00 H new ATOM 1369 N SER A 90 -11.817 -2.403 -11.003 1.00 0.00 N ATOM 1370 CA SER A 90 -11.701 -1.466 -12.125 1.00 0.00 C ATOM 1371 C SER A 90 -11.042 -0.153 -11.691 1.00 0.00 C ATOM 1372 O SER A 90 -10.732 0.703 -12.519 1.00 0.00 O ATOM 1373 CB SER A 90 -13.065 -1.211 -12.766 1.00 0.00 C ATOM 1374 OG SER A 90 -12.936 -0.703 -14.083 1.00 0.00 O ATOM 0 H SER A 90 -11.061 -3.087 -10.973 1.00 0.00 H new ATOM 0 HA SER A 90 -11.056 -1.925 -12.875 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.637 -2.139 -12.788 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.628 -0.504 -12.156 1.00 0.00 H new ATOM 0 HG SER A 90 -12.217 -0.037 -14.108 1.00 0.00 H new ATOM 1380 N LYS A 91 -10.804 -0.023 -10.399 1.00 0.00 N ATOM 1381 CA LYS A 91 -10.146 1.158 -9.844 1.00 0.00 C ATOM 1382 C LYS A 91 -8.638 0.929 -9.756 1.00 0.00 C ATOM 1383 O LYS A 91 -8.196 -0.107 -9.272 1.00 0.00 O ATOM 1384 CB LYS A 91 -10.696 1.455 -8.449 1.00 0.00 C ATOM 1385 CG LYS A 91 -11.265 2.841 -8.288 1.00 0.00 C ATOM 1386 CD LYS A 91 -10.183 3.877 -8.476 1.00 0.00 C ATOM 1387 CE LYS A 91 -10.112 4.820 -7.297 1.00 0.00 C ATOM 1388 NZ LYS A 91 -9.290 6.025 -7.597 1.00 0.00 N1+ ATOM 0 H LYS A 91 -11.057 -0.725 -9.704 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.343 2.006 -10.500 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.473 0.727 -8.215 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.898 1.316 -7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -12.061 3.001 -9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.710 2.946 -7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.221 3.381 -8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.375 4.444 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.120 5.128 -7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.690 4.297 -6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.210 6.612 -6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.341 5.730 -7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.744 6.575 -8.354 1.00 0.00 H new ATOM 1402 N THR A 92 -7.850 1.890 -10.214 1.00 0.00 N ATOM 1403 CA THR A 92 -6.401 1.732 -10.200 1.00 0.00 C ATOM 1404 C THR A 92 -5.803 2.246 -8.903 1.00 0.00 C ATOM 1405 O THR A 92 -5.912 3.426 -8.578 1.00 0.00 O ATOM 1406 CB THR A 92 -5.729 2.465 -11.364 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.705 2.794 -12.359 1.00 0.00 O ATOM 1408 CG2 THR A 92 -4.631 1.607 -11.981 1.00 0.00 C ATOM 0 H THR A 92 -8.182 2.776 -10.595 1.00 0.00 H new ATOM 0 HA THR A 92 -6.215 0.662 -10.298 1.00 0.00 H new ATOM 0 HB THR A 92 -5.278 3.381 -10.981 1.00 0.00 H new ATOM 0 HG1 THR A 92 -6.270 3.264 -13.101 1.00 0.00 H new ATOM 0 HG21 THR A 92 -4.167 2.148 -12.806 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.878 1.382 -11.226 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.062 0.677 -12.353 1.00 0.00 H new ATOM 1416 N ILE A 93 -5.147 1.356 -8.192 1.00 0.00 N ATOM 1417 CA ILE A 93 -4.591 1.658 -6.886 1.00 0.00 C ATOM 1418 C ILE A 93 -3.132 2.068 -6.984 1.00 0.00 C ATOM 1419 O ILE A 93 -2.494 1.885 -8.021 1.00 0.00 O ATOM 1420 CB ILE A 93 -4.700 0.438 -5.979 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.836 -0.692 -6.545 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -6.158 0.024 -5.884 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.875 -1.957 -5.736 1.00 0.00 C ATOM 0 H ILE A 93 -4.982 0.398 -8.502 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.161 2.489 -6.470 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.340 0.672 -4.977 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.165 -0.913 -7.561 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.804 -0.348 -6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.247 -0.849 -5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.743 0.845 -5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.532 -0.222 -6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.237 -2.708 -6.203 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.517 -1.754 -4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.899 -2.328 -5.690 1.00 0.00 H new ATOM 1435 N LYS A 94 -2.606 2.636 -5.913 1.00 0.00 N ATOM 1436 CA LYS A 94 -1.217 3.039 -5.891 1.00 0.00 C ATOM 1437 C LYS A 94 -0.561 2.641 -4.586 1.00 0.00 C ATOM 1438 O LYS A 94 -0.862 3.200 -3.537 1.00 0.00 O ATOM 1439 CB LYS A 94 -1.100 4.538 -6.076 1.00 0.00 C ATOM 1440 CG LYS A 94 0.292 4.978 -6.424 1.00 0.00 C ATOM 1441 CD LYS A 94 0.275 6.397 -6.940 1.00 0.00 C ATOM 1442 CE LYS A 94 1.335 6.599 -8.005 1.00 0.00 C ATOM 1443 NZ LYS A 94 1.055 5.778 -9.217 1.00 0.00 N1+ ATOM 0 H LYS A 94 -3.119 2.827 -5.053 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.708 2.532 -6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.783 4.856 -6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.415 5.037 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.933 4.910 -5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.714 4.314 -7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.708 6.627 -7.352 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.445 7.090 -6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.379 7.653 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.312 6.333 -7.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.430 6.262 -10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.512 4.849 -9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.028 5.650 -9.320 1.00 0.00 H new ATOM 1457 N VAL A 95 0.342 1.685 -4.653 1.00 0.00 N ATOM 1458 CA VAL A 95 0.995 1.195 -3.461 1.00 0.00 C ATOM 1459 C VAL A 95 2.409 1.774 -3.335 1.00 0.00 C ATOM 1460 O VAL A 95 3.104 1.987 -4.333 1.00 0.00 O ATOM 1461 CB VAL A 95 1.008 -0.354 -3.408 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.136 -0.949 -4.505 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.412 -0.898 -3.476 1.00 0.00 C ATOM 0 H VAL A 95 0.639 1.234 -5.518 1.00 0.00 H new ATOM 0 HA VAL A 95 0.416 1.537 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 95 0.587 -0.651 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.165 -2.037 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.891 -0.605 -4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.509 -0.631 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.383 -1.987 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.880 -0.581 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.990 -0.520 -2.633 1.00 0.00 H new ATOM 1473 N SER A 96 2.796 2.057 -2.102 1.00 0.00 N ATOM 1474 CA SER A 96 4.087 2.642 -1.776 1.00 0.00 C ATOM 1475 C SER A 96 4.394 2.379 -0.310 1.00 0.00 C ATOM 1476 O SER A 96 3.535 1.910 0.417 1.00 0.00 O ATOM 1477 CB SER A 96 4.064 4.150 -2.025 1.00 0.00 C ATOM 1478 OG SER A 96 3.873 4.442 -3.399 1.00 0.00 O ATOM 0 H SER A 96 2.211 1.884 -1.284 1.00 0.00 H new ATOM 0 HA SER A 96 4.853 2.192 -2.407 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.265 4.605 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.000 4.591 -1.684 1.00 0.00 H new ATOM 0 HG SER A 96 3.731 3.608 -3.894 1.00 0.00 H new ATOM 1484 N TYR A 97 5.607 2.676 0.125 1.00 0.00 N ATOM 1485 CA TYR A 97 5.952 2.544 1.538 1.00 0.00 C ATOM 1486 C TYR A 97 5.232 3.610 2.338 1.00 0.00 C ATOM 1487 O TYR A 97 5.439 4.805 2.113 1.00 0.00 O ATOM 1488 CB TYR A 97 7.457 2.697 1.763 1.00 0.00 C ATOM 1489 CG TYR A 97 8.317 2.020 0.726 1.00 0.00 C ATOM 1490 CD1 TYR A 97 8.408 0.636 0.648 1.00 0.00 C ATOM 1491 CD2 TYR A 97 9.050 2.778 -0.173 1.00 0.00 C ATOM 1492 CE1 TYR A 97 9.208 0.030 -0.301 1.00 0.00 C ATOM 1493 CE2 TYR A 97 9.847 2.185 -1.124 1.00 0.00 C ATOM 1494 CZ TYR A 97 9.927 0.809 -1.188 1.00 0.00 C ATOM 1495 OH TYR A 97 10.722 0.210 -2.136 1.00 0.00 O ATOM 0 H TYR A 97 6.366 3.007 -0.470 1.00 0.00 H new ATOM 0 HA TYR A 97 5.649 1.549 1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.702 3.759 1.783 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.708 2.293 2.744 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.846 0.025 1.339 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.994 3.856 -0.126 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.271 -1.047 -0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.408 2.794 -1.818 1.00 0.00 H new ATOM 0 HH TYR A 97 11.158 0.899 -2.680 1.00 0.00 H new ATOM 1505 N ALA A 98 4.384 3.184 3.250 1.00 0.00 N ATOM 1506 CA ALA A 98 3.706 4.110 4.131 1.00 0.00 C ATOM 1507 C ALA A 98 4.664 4.516 5.239 1.00 0.00 C ATOM 1508 O ALA A 98 5.359 3.662 5.788 1.00 0.00 O ATOM 1509 CB ALA A 98 2.444 3.488 4.711 1.00 0.00 C ATOM 0 H ALA A 98 4.148 2.203 3.400 1.00 0.00 H new ATOM 0 HA ALA A 98 3.402 4.991 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.954 4.205 5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.766 3.217 3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.706 2.595 5.278 1.00 0.00 H new