USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 578 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 35 LYS NZ :NH3+ 176:sc= 0.619 (180deg=0.598) USER MOD Set 1.2: A 38 MET CE :methyl 157:sc= -3.54 (180deg=-5.2!) USER MOD Set 2.1: A 29 TYR OH : rot 180:sc= -0.0383 USER MOD Set 2.2: A 70 SER OG : rot -92:sc= 1.52 USER MOD Single : A 24 MET CE :methyl -154:sc= -0.143 (180deg=-0.666) USER MOD Single : A 30 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.0029) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00662) USER MOD Single : A 59 HIS : no HE2:sc= 0.0501 K(o=0.05,f=-1.4) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -139:sc= -0.603 (180deg=-2.54!) USER MOD Single : A 72 LYS NZ :NH3+ -110:sc= 0.454 (180deg=0.00548) USER MOD Single : A 76 THR OG1 : rot -85:sc= 1.02 USER MOD Single : A 88 LYS NZ :NH3+ 174:sc=-0.000448 (180deg=-0.027) USER MOD Single : A 90 MET CE :methyl -146:sc= -1.59 (180deg=-4.52!) USER MOD Single : A 92 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00553) USER MOD Single : A 93 LYS NZ :NH3+ 172:sc=-0.00217 (180deg=-0.0852) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -10.187 8.247 0.212 1.00 12.51 N ATOM 369 CA MET A 24 -9.700 6.914 -0.172 1.00 63.12 C ATOM 370 C MET A 24 -8.219 6.797 0.219 1.00 64.31 C ATOM 371 O MET A 24 -7.713 7.635 0.978 1.00 33.42 O ATOM 372 CB MET A 24 -9.925 6.739 -1.697 1.00 10.13 C ATOM 373 CG MET A 24 -11.415 6.666 -2.108 1.00 73.14 C ATOM 374 SD MET A 24 -11.689 7.073 -3.841 1.00 63.31 S ATOM 375 CE MET A 24 -11.280 8.823 -3.831 1.00 21.20 C ATOM 0 HA MET A 24 -10.239 6.120 0.345 1.00 63.12 H new ATOM 0 HB2 MET A 24 -9.454 7.571 -2.221 1.00 10.13 H new ATOM 0 HB3 MET A 24 -9.423 5.829 -2.026 1.00 10.13 H new ATOM 0 HG2 MET A 24 -11.791 5.662 -1.913 1.00 73.14 H new ATOM 0 HG3 MET A 24 -11.992 7.349 -1.485 1.00 73.14 H new ATOM 0 HE1 MET A 24 -11.808 9.325 -4.642 1.00 21.20 H new ATOM 0 HE2 MET A 24 -11.578 9.261 -2.878 1.00 21.20 H new ATOM 0 HE3 MET A 24 -10.206 8.946 -3.967 1.00 21.20 H new ATOM 385 N GLY A 25 -7.532 5.752 -0.280 1.00 51.13 N ATOM 386 CA GLY A 25 -6.125 5.515 0.065 1.00 43.30 C ATOM 387 C GLY A 25 -6.002 4.699 1.336 1.00 2.20 C ATOM 388 O GLY A 25 -5.439 3.610 1.319 1.00 43.35 O ATOM 0 H GLY A 25 -7.929 5.064 -0.920 1.00 51.13 H new ATOM 0 HA2 GLY A 25 -5.630 4.994 -0.754 1.00 43.30 H new ATOM 0 HA3 GLY A 25 -5.613 6.469 0.191 1.00 43.30 H new ATOM 392 N ARG A 26 -6.532 5.245 2.444 1.00 34.03 N ATOM 393 CA ARG A 26 -6.691 4.510 3.712 1.00 3.11 C ATOM 394 C ARG A 26 -7.688 3.354 3.518 1.00 11.24 C ATOM 395 O ARG A 26 -7.443 2.237 3.979 1.00 43.43 O ATOM 396 CB ARG A 26 -7.159 5.475 4.827 1.00 2.31 C ATOM 397 CG ARG A 26 -7.435 4.819 6.199 1.00 61.33 C ATOM 398 CD ARG A 26 -7.848 5.854 7.256 1.00 44.21 C ATOM 399 NE ARG A 26 -8.968 6.705 6.795 1.00 50.33 N ATOM 400 CZ ARG A 26 -9.123 8.012 7.087 1.00 31.32 C ATOM 401 NH1 ARG A 26 -8.248 8.648 7.867 1.00 14.52 N ATOM 402 NH2 ARG A 26 -10.155 8.678 6.585 1.00 73.45 N ATOM 0 H ARG A 26 -6.863 6.209 2.486 1.00 34.03 H new ATOM 0 HA ARG A 26 -5.733 4.088 4.014 1.00 3.11 H new ATOM 0 HB2 ARG A 26 -6.400 6.247 4.958 1.00 2.31 H new ATOM 0 HB3 ARG A 26 -8.068 5.975 4.493 1.00 2.31 H new ATOM 0 HG2 ARG A 26 -8.223 4.074 6.093 1.00 61.33 H new ATOM 0 HG3 ARG A 26 -6.542 4.293 6.536 1.00 61.33 H new ATOM 0 HD2 ARG A 26 -8.138 5.340 8.172 1.00 44.21 H new ATOM 0 HD3 ARG A 26 -6.992 6.483 7.500 1.00 44.21 H new ATOM 0 HE ARG A 26 -9.679 6.268 6.210 1.00 50.33 H new ATOM 0 HH11 ARG A 26 -7.448 8.145 8.252 1.00 14.52 H new ATOM 0 HH12 ARG A 26 -8.379 9.637 8.079 1.00 14.52 H new ATOM 0 HH21 ARG A 26 -10.825 8.201 5.982 1.00 73.45 H new ATOM 0 HH22 ARG A 26 -10.278 9.667 6.802 1.00 73.45 H new ATOM 416 N ALA A 27 -8.795 3.648 2.799 1.00 63.43 N ATOM 417 CA ALA A 27 -9.785 2.636 2.384 1.00 50.03 C ATOM 418 C ALA A 27 -9.131 1.565 1.484 1.00 2.32 C ATOM 419 O ALA A 27 -9.361 0.376 1.672 1.00 73.12 O ATOM 420 CB ALA A 27 -10.958 3.304 1.647 1.00 74.20 C ATOM 0 H ALA A 27 -9.024 4.593 2.492 1.00 63.43 H new ATOM 0 HA ALA A 27 -10.166 2.146 3.280 1.00 50.03 H new ATOM 0 HB1 ALA A 27 -11.680 2.544 1.347 1.00 74.20 H new ATOM 0 HB2 ALA A 27 -11.441 4.023 2.309 1.00 74.20 H new ATOM 0 HB3 ALA A 27 -10.585 3.819 0.762 1.00 74.20 H new ATOM 426 N LEU A 28 -8.285 2.033 0.537 1.00 60.32 N ATOM 427 CA LEU A 28 -7.557 1.176 -0.436 1.00 13.21 C ATOM 428 C LEU A 28 -6.543 0.262 0.297 1.00 3.22 C ATOM 429 O LEU A 28 -6.331 -0.895 -0.088 1.00 52.11 O ATOM 430 CB LEU A 28 -6.823 2.083 -1.489 1.00 42.43 C ATOM 431 CG LEU A 28 -6.950 1.669 -2.988 1.00 30.13 C ATOM 432 CD1 LEU A 28 -6.195 2.658 -3.895 1.00 41.13 C ATOM 433 CD2 LEU A 28 -6.496 0.221 -3.238 1.00 4.43 C ATOM 0 H LEU A 28 -8.085 3.027 0.423 1.00 60.32 H new ATOM 0 HA LEU A 28 -8.273 0.538 -0.954 1.00 13.21 H new ATOM 0 HB2 LEU A 28 -7.203 3.099 -1.384 1.00 42.43 H new ATOM 0 HB3 LEU A 28 -5.764 2.111 -1.233 1.00 42.43 H new ATOM 0 HG LEU A 28 -8.009 1.710 -3.243 1.00 30.13 H new ATOM 0 HD11 LEU A 28 -6.298 2.349 -4.935 1.00 41.13 H new ATOM 0 HD12 LEU A 28 -6.612 3.657 -3.770 1.00 41.13 H new ATOM 0 HD13 LEU A 28 -5.140 2.669 -3.622 1.00 41.13 H new ATOM 0 HD21 LEU A 28 -6.604 -0.017 -4.296 1.00 4.43 H new ATOM 0 HD22 LEU A 28 -5.451 0.112 -2.947 1.00 4.43 H new ATOM 0 HD23 LEU A 28 -7.110 -0.460 -2.648 1.00 4.43 H new ATOM 445 N TYR A 29 -5.954 0.827 1.368 1.00 64.55 N ATOM 446 CA TYR A 29 -4.965 0.159 2.222 1.00 44.11 C ATOM 447 C TYR A 29 -5.628 -1.026 2.942 1.00 42.12 C ATOM 448 O TYR A 29 -5.042 -2.101 3.026 1.00 35.21 O ATOM 449 CB TYR A 29 -4.393 1.183 3.250 1.00 72.31 C ATOM 450 CG TYR A 29 -3.335 0.628 4.218 1.00 15.15 C ATOM 451 CD1 TYR A 29 -2.042 0.370 3.775 1.00 61.51 C ATOM 452 CD2 TYR A 29 -3.631 0.368 5.559 1.00 15.30 C ATOM 453 CE1 TYR A 29 -1.084 -0.125 4.624 1.00 31.54 C ATOM 454 CE2 TYR A 29 -2.673 -0.131 6.415 1.00 4.12 C ATOM 455 CZ TYR A 29 -1.402 -0.375 5.940 1.00 14.54 C ATOM 456 OH TYR A 29 -0.441 -0.885 6.787 1.00 41.32 O ATOM 0 H TYR A 29 -6.160 1.780 1.666 1.00 64.55 H new ATOM 0 HA TYR A 29 -4.143 -0.220 1.615 1.00 44.11 H new ATOM 0 HB2 TYR A 29 -3.956 2.017 2.701 1.00 72.31 H new ATOM 0 HB3 TYR A 29 -5.220 1.585 3.835 1.00 72.31 H new ATOM 0 HD1 TYR A 29 -1.787 0.563 2.743 1.00 61.51 H new ATOM 0 HD2 TYR A 29 -4.627 0.561 5.930 1.00 15.30 H new ATOM 0 HE1 TYR A 29 -0.085 -0.318 4.261 1.00 31.54 H new ATOM 0 HE2 TYR A 29 -2.916 -0.329 7.449 1.00 4.12 H new ATOM 0 HH TYR A 29 -0.823 -1.004 7.682 1.00 41.32 H new ATOM 466 N ASN A 30 -6.872 -0.800 3.432 1.00 53.34 N ATOM 467 CA ASN A 30 -7.651 -1.817 4.173 1.00 34.14 C ATOM 468 C ASN A 30 -7.995 -3.019 3.281 1.00 21.10 C ATOM 469 O ASN A 30 -7.994 -4.163 3.750 1.00 4.55 O ATOM 470 CB ASN A 30 -8.945 -1.198 4.767 1.00 45.15 C ATOM 471 CG ASN A 30 -8.697 0.002 5.691 1.00 1.51 C ATOM 472 OD1 ASN A 30 -9.534 0.903 5.787 1.00 50.04 O ATOM 473 ND2 ASN A 30 -7.561 0.037 6.391 1.00 71.24 N ATOM 0 H ASN A 30 -7.360 0.089 3.324 1.00 53.34 H new ATOM 0 HA ASN A 30 -7.028 -2.173 4.993 1.00 34.14 H new ATOM 0 HB2 ASN A 30 -9.594 -0.885 3.949 1.00 45.15 H new ATOM 0 HB3 ASN A 30 -9.481 -1.967 5.323 1.00 45.15 H new ATOM 0 HD21 ASN A 30 -7.373 0.818 7.019 1.00 71.24 H new ATOM 0 HD22 ASN A 30 -6.881 -0.718 6.298 1.00 71.24 H new ATOM 480 N ILE A 31 -8.279 -2.733 1.992 1.00 3.41 N ATOM 481 CA ILE A 31 -8.544 -3.767 0.976 1.00 44.41 C ATOM 482 C ILE A 31 -7.266 -4.607 0.749 1.00 41.32 C ATOM 483 O ILE A 31 -7.319 -5.838 0.720 1.00 21.50 O ATOM 484 CB ILE A 31 -9.006 -3.146 -0.406 1.00 72.44 C ATOM 485 CG1 ILE A 31 -10.132 -2.086 -0.213 1.00 73.54 C ATOM 486 CG2 ILE A 31 -9.478 -4.256 -1.384 1.00 14.13 C ATOM 487 CD1 ILE A 31 -10.456 -1.270 -1.455 1.00 51.43 C ATOM 0 H ILE A 31 -8.330 -1.781 1.630 1.00 3.41 H new ATOM 0 HA ILE A 31 -9.355 -4.392 1.350 1.00 44.41 H new ATOM 0 HB ILE A 31 -8.140 -2.643 -0.838 1.00 72.44 H new ATOM 0 HG12 ILE A 31 -11.038 -2.594 0.118 1.00 73.54 H new ATOM 0 HG13 ILE A 31 -9.838 -1.405 0.586 1.00 73.54 H new ATOM 0 HG21 ILE A 31 -9.790 -3.803 -2.325 1.00 14.13 H new ATOM 0 HG22 ILE A 31 -8.658 -4.950 -1.569 1.00 14.13 H new ATOM 0 HG23 ILE A 31 -10.318 -4.795 -0.945 1.00 14.13 H new ATOM 0 HD11 ILE A 31 -11.250 -0.559 -1.226 1.00 51.43 H new ATOM 0 HD12 ILE A 31 -9.566 -0.729 -1.777 1.00 51.43 H new ATOM 0 HD13 ILE A 31 -10.784 -1.936 -2.253 1.00 51.43 H new ATOM 499 N GLY A 32 -6.119 -3.898 0.623 1.00 34.23 N ATOM 500 CA GLY A 32 -4.811 -4.517 0.390 1.00 5.42 C ATOM 501 C GLY A 32 -4.353 -5.415 1.537 1.00 43.43 C ATOM 502 O GLY A 32 -3.686 -6.427 1.305 1.00 55.43 O ATOM 0 H GLY A 32 -6.085 -2.880 0.682 1.00 34.23 H new ATOM 0 HA2 GLY A 32 -4.853 -5.105 -0.527 1.00 5.42 H new ATOM 0 HA3 GLY A 32 -4.069 -3.734 0.233 1.00 5.42 H new ATOM 506 N LEU A 33 -4.711 -5.022 2.779 1.00 11.00 N ATOM 507 CA LEU A 33 -4.453 -5.821 4.002 1.00 65.23 C ATOM 508 C LEU A 33 -5.102 -7.203 3.879 1.00 52.43 C ATOM 509 O LEU A 33 -4.509 -8.215 4.258 1.00 41.22 O ATOM 510 CB LEU A 33 -4.998 -5.093 5.272 1.00 31.32 C ATOM 511 CG LEU A 33 -4.272 -3.775 5.684 1.00 22.33 C ATOM 512 CD1 LEU A 33 -5.011 -3.068 6.843 1.00 24.45 C ATOM 513 CD2 LEU A 33 -2.793 -4.045 6.038 1.00 30.32 C ATOM 0 H LEU A 33 -5.188 -4.140 2.964 1.00 11.00 H new ATOM 0 HA LEU A 33 -3.374 -5.938 4.106 1.00 65.23 H new ATOM 0 HB2 LEU A 33 -6.052 -4.866 5.109 1.00 31.32 H new ATOM 0 HB3 LEU A 33 -4.948 -5.787 6.111 1.00 31.32 H new ATOM 0 HG LEU A 33 -4.289 -3.101 4.827 1.00 22.33 H new ATOM 0 HD11 LEU A 33 -4.481 -2.153 7.108 1.00 24.45 H new ATOM 0 HD12 LEU A 33 -6.026 -2.822 6.531 1.00 24.45 H new ATOM 0 HD13 LEU A 33 -5.047 -3.730 7.709 1.00 24.45 H new ATOM 0 HD21 LEU A 33 -2.310 -3.110 6.322 1.00 30.32 H new ATOM 0 HD22 LEU A 33 -2.740 -4.747 6.870 1.00 30.32 H new ATOM 0 HD23 LEU A 33 -2.283 -4.469 5.173 1.00 30.32 H new ATOM 525 N GLU A 34 -6.317 -7.210 3.321 1.00 64.53 N ATOM 526 CA GLU A 34 -7.125 -8.420 3.148 1.00 54.43 C ATOM 527 C GLU A 34 -6.611 -9.307 2.006 1.00 23.54 C ATOM 528 O GLU A 34 -6.829 -10.521 2.016 1.00 55.23 O ATOM 529 CB GLU A 34 -8.595 -8.025 2.935 1.00 44.54 C ATOM 530 CG GLU A 34 -9.229 -7.311 4.133 1.00 54.23 C ATOM 531 CD GLU A 34 -9.131 -8.147 5.419 1.00 41.40 C ATOM 532 OE1 GLU A 34 -9.756 -9.221 5.468 1.00 14.34 O ATOM 533 OE2 GLU A 34 -8.407 -7.760 6.364 1.00 3.43 O ATOM 0 H GLU A 34 -6.771 -6.366 2.973 1.00 64.53 H new ATOM 0 HA GLU A 34 -7.042 -9.019 4.055 1.00 54.43 H new ATOM 0 HB2 GLU A 34 -8.663 -7.377 2.061 1.00 44.54 H new ATOM 0 HB3 GLU A 34 -9.173 -8.922 2.712 1.00 44.54 H new ATOM 0 HG2 GLU A 34 -8.735 -6.351 4.286 1.00 54.23 H new ATOM 0 HG3 GLU A 34 -10.276 -7.100 3.917 1.00 54.23 H new ATOM 540 N LYS A 35 -5.941 -8.689 1.017 1.00 2.20 N ATOM 541 CA LYS A 35 -5.209 -9.423 -0.037 1.00 43.43 C ATOM 542 C LYS A 35 -4.046 -10.206 0.602 1.00 0.23 C ATOM 543 O LYS A 35 -3.832 -11.381 0.290 1.00 21.01 O ATOM 544 CB LYS A 35 -4.711 -8.444 -1.149 1.00 33.32 C ATOM 545 CG LYS A 35 -5.723 -8.145 -2.285 1.00 2.24 C ATOM 546 CD LYS A 35 -7.123 -7.717 -1.804 1.00 74.31 C ATOM 547 CE LYS A 35 -8.062 -7.339 -2.965 1.00 63.34 C ATOM 548 NZ LYS A 35 -8.236 -8.443 -3.948 1.00 62.02 N ATOM 0 H LYS A 35 -5.890 -7.675 0.924 1.00 2.20 H new ATOM 0 HA LYS A 35 -5.879 -10.135 -0.519 1.00 43.43 H new ATOM 0 HB2 LYS A 35 -4.432 -7.501 -0.679 1.00 33.32 H new ATOM 0 HB3 LYS A 35 -3.806 -8.859 -1.593 1.00 33.32 H new ATOM 0 HG2 LYS A 35 -5.315 -7.358 -2.919 1.00 2.24 H new ATOM 0 HG3 LYS A 35 -5.824 -9.034 -2.907 1.00 2.24 H new ATOM 0 HD2 LYS A 35 -7.570 -8.530 -1.231 1.00 74.31 H new ATOM 0 HD3 LYS A 35 -7.026 -6.867 -1.129 1.00 74.31 H new ATOM 0 HE2 LYS A 35 -9.036 -7.060 -2.563 1.00 63.34 H new ATOM 0 HE3 LYS A 35 -7.665 -6.462 -3.477 1.00 63.34 H new ATOM 0 HZ1 LYS A 35 -8.929 -8.159 -4.670 1.00 62.02 H new ATOM 0 HZ2 LYS A 35 -7.324 -8.648 -4.405 1.00 62.02 H new ATOM 0 HZ3 LYS A 35 -8.577 -9.294 -3.457 1.00 62.02 H new ATOM 562 N ASN A 36 -3.352 -9.544 1.549 1.00 32.13 N ATOM 563 CA ASN A 36 -2.249 -10.147 2.332 1.00 71.44 C ATOM 564 C ASN A 36 -2.790 -11.255 3.274 1.00 33.21 C ATOM 565 O ASN A 36 -2.089 -12.237 3.551 1.00 4.33 O ATOM 566 CB ASN A 36 -1.512 -9.043 3.152 1.00 23.50 C ATOM 567 CG ASN A 36 -0.214 -9.510 3.825 1.00 45.21 C ATOM 568 OD1 ASN A 36 0.489 -10.391 3.322 1.00 52.22 O ATOM 569 ND2 ASN A 36 0.125 -8.904 4.957 1.00 12.32 N ATOM 0 H ASN A 36 -3.540 -8.572 1.795 1.00 32.13 H new ATOM 0 HA ASN A 36 -1.540 -10.605 1.642 1.00 71.44 H new ATOM 0 HB2 ASN A 36 -1.283 -8.208 2.490 1.00 23.50 H new ATOM 0 HB3 ASN A 36 -2.188 -8.665 3.919 1.00 23.50 H new ATOM 0 HD21 ASN A 36 0.988 -9.163 5.436 1.00 12.32 H new ATOM 0 HD22 ASN A 36 -0.477 -8.179 5.348 1.00 12.32 H new ATOM 576 N LYS A 37 -4.055 -11.091 3.737 1.00 11.11 N ATOM 577 CA LYS A 37 -4.769 -12.094 4.565 1.00 43.42 C ATOM 578 C LYS A 37 -5.105 -13.363 3.751 1.00 21.30 C ATOM 579 O LYS A 37 -5.274 -14.445 4.326 1.00 55.51 O ATOM 580 CB LYS A 37 -6.079 -11.491 5.157 1.00 51.41 C ATOM 581 CG LYS A 37 -5.875 -10.390 6.223 1.00 2.22 C ATOM 582 CD LYS A 37 -5.204 -10.907 7.516 1.00 34.33 C ATOM 583 CE LYS A 37 -6.047 -11.980 8.229 1.00 45.05 C ATOM 584 NZ LYS A 37 -5.421 -12.434 9.495 1.00 44.22 N ATOM 0 H LYS A 37 -4.609 -10.257 3.546 1.00 11.11 H new ATOM 0 HA LYS A 37 -4.102 -12.373 5.381 1.00 43.42 H new ATOM 0 HB2 LYS A 37 -6.671 -11.078 4.340 1.00 51.41 H new ATOM 0 HB3 LYS A 37 -6.664 -12.298 5.599 1.00 51.41 H new ATOM 0 HG2 LYS A 37 -5.265 -9.592 5.799 1.00 2.22 H new ATOM 0 HG3 LYS A 37 -6.842 -9.953 6.473 1.00 2.22 H new ATOM 0 HD2 LYS A 37 -4.225 -11.321 7.273 1.00 34.33 H new ATOM 0 HD3 LYS A 37 -5.037 -10.070 8.195 1.00 34.33 H new ATOM 0 HE2 LYS A 37 -7.039 -11.580 8.439 1.00 45.05 H new ATOM 0 HE3 LYS A 37 -6.182 -12.834 7.565 1.00 45.05 H new ATOM 0 HZ1 LYS A 37 -6.023 -13.156 9.941 1.00 44.22 H new ATOM 0 HZ2 LYS A 37 -4.485 -12.840 9.293 1.00 44.22 H new ATOM 0 HZ3 LYS A 37 -5.316 -11.625 10.140 1.00 44.22 H new ATOM 598 N MET A 38 -5.228 -13.217 2.420 1.00 43.55 N ATOM 599 CA MET A 38 -5.474 -14.355 1.501 1.00 75.32 C ATOM 600 C MET A 38 -4.161 -15.019 1.057 1.00 11.23 C ATOM 601 O MET A 38 -4.187 -16.023 0.333 1.00 10.55 O ATOM 602 CB MET A 38 -6.265 -13.891 0.243 1.00 74.31 C ATOM 603 CG MET A 38 -7.648 -13.304 0.532 1.00 25.11 C ATOM 604 SD MET A 38 -8.570 -12.911 -0.972 1.00 23.15 S ATOM 605 CE MET A 38 -7.517 -11.687 -1.747 1.00 72.01 C ATOM 0 H MET A 38 -5.161 -12.315 1.948 1.00 43.55 H new ATOM 0 HA MET A 38 -6.065 -15.086 2.052 1.00 75.32 H new ATOM 0 HB2 MET A 38 -5.673 -13.144 -0.286 1.00 74.31 H new ATOM 0 HB3 MET A 38 -6.380 -14.741 -0.430 1.00 74.31 H new ATOM 0 HG2 MET A 38 -8.221 -14.013 1.129 1.00 25.11 H new ATOM 0 HG3 MET A 38 -7.536 -12.400 1.131 1.00 25.11 H new ATOM 0 HE1 MET A 38 -7.720 -11.657 -2.817 1.00 72.01 H new ATOM 0 HE2 MET A 38 -7.717 -10.708 -1.313 1.00 72.01 H new ATOM 0 HE3 MET A 38 -6.472 -11.950 -1.583 1.00 72.01 H new ATOM 615 N GLY A 39 -3.020 -14.443 1.462 1.00 40.54 N ATOM 616 CA GLY A 39 -1.710 -14.897 0.992 1.00 2.24 C ATOM 617 C GLY A 39 -1.339 -14.303 -0.362 1.00 1.12 C ATOM 618 O GLY A 39 -0.249 -14.564 -0.877 1.00 62.24 O ATOM 0 H GLY A 39 -2.982 -13.661 2.115 1.00 40.54 H new ATOM 0 HA2 GLY A 39 -0.950 -14.626 1.725 1.00 2.24 H new ATOM 0 HA3 GLY A 39 -1.710 -15.985 0.921 1.00 2.24 H new ATOM 622 N LYS A 40 -2.255 -13.495 -0.945 1.00 60.11 N ATOM 623 CA LYS A 40 -2.015 -12.763 -2.199 1.00 42.14 C ATOM 624 C LYS A 40 -1.292 -11.452 -1.863 1.00 43.04 C ATOM 625 O LYS A 40 -1.852 -10.357 -1.967 1.00 50.33 O ATOM 626 CB LYS A 40 -3.353 -12.514 -2.953 1.00 12.54 C ATOM 627 CG LYS A 40 -4.075 -13.804 -3.398 1.00 14.12 C ATOM 628 CD LYS A 40 -5.406 -13.515 -4.133 1.00 32.41 C ATOM 629 CE LYS A 40 -6.142 -14.787 -4.567 1.00 25.04 C ATOM 630 NZ LYS A 40 -7.426 -14.484 -5.244 1.00 12.33 N ATOM 0 H LYS A 40 -3.183 -13.336 -0.553 1.00 60.11 H new ATOM 0 HA LYS A 40 -1.386 -13.352 -2.867 1.00 42.14 H new ATOM 0 HB2 LYS A 40 -4.020 -11.941 -2.308 1.00 12.54 H new ATOM 0 HB3 LYS A 40 -3.154 -11.900 -3.832 1.00 12.54 H new ATOM 0 HG2 LYS A 40 -3.419 -14.376 -4.054 1.00 14.12 H new ATOM 0 HG3 LYS A 40 -4.273 -14.425 -2.525 1.00 14.12 H new ATOM 0 HD2 LYS A 40 -6.055 -12.932 -3.480 1.00 32.41 H new ATOM 0 HD3 LYS A 40 -5.203 -12.902 -5.011 1.00 32.41 H new ATOM 0 HE2 LYS A 40 -5.505 -15.363 -5.239 1.00 25.04 H new ATOM 0 HE3 LYS A 40 -6.331 -15.412 -3.694 1.00 25.04 H new ATOM 0 HZ1 LYS A 40 -7.891 -15.372 -5.521 1.00 12.33 H new ATOM 0 HZ2 LYS A 40 -8.045 -13.957 -4.595 1.00 12.33 H new ATOM 0 HZ3 LYS A 40 -7.244 -13.910 -6.092 1.00 12.33 H new ATOM 644 N ALA A 41 -0.037 -11.608 -1.404 1.00 34.44 N ATOM 645 CA ALA A 41 0.822 -10.511 -0.958 1.00 22.50 C ATOM 646 C ALA A 41 1.309 -9.650 -2.137 1.00 62.35 C ATOM 647 O ALA A 41 1.790 -8.534 -1.932 1.00 21.21 O ATOM 648 CB ALA A 41 1.997 -11.081 -0.159 1.00 1.35 C ATOM 0 H ALA A 41 0.412 -12.521 -1.334 1.00 34.44 H new ATOM 0 HA ALA A 41 0.240 -9.851 -0.314 1.00 22.50 H new ATOM 0 HB1 ALA A 41 2.639 -10.266 0.175 1.00 1.35 H new ATOM 0 HB2 ALA A 41 1.619 -11.623 0.708 1.00 1.35 H new ATOM 0 HB3 ALA A 41 2.571 -11.760 -0.790 1.00 1.35 H new ATOM 654 N ARG A 42 1.185 -10.192 -3.373 1.00 0.04 N ATOM 655 CA ARG A 42 1.473 -9.457 -4.614 1.00 34.22 C ATOM 656 C ARG A 42 0.357 -8.439 -4.847 1.00 53.02 C ATOM 657 O ARG A 42 0.636 -7.260 -5.055 1.00 53.51 O ATOM 658 CB ARG A 42 1.637 -10.443 -5.820 1.00 12.24 C ATOM 659 CG ARG A 42 2.564 -9.946 -6.967 1.00 71.34 C ATOM 660 CD ARG A 42 1.988 -8.812 -7.834 1.00 73.24 C ATOM 661 NE ARG A 42 0.798 -9.257 -8.562 1.00 21.51 N ATOM 662 CZ ARG A 42 0.249 -8.643 -9.619 1.00 0.32 C ATOM 663 NH1 ARG A 42 0.767 -7.525 -10.125 1.00 3.41 N ATOM 664 NH2 ARG A 42 -0.834 -9.161 -10.169 1.00 15.40 N ATOM 0 H ARG A 42 0.882 -11.153 -3.530 1.00 0.04 H new ATOM 0 HA ARG A 42 2.419 -8.923 -4.523 1.00 34.22 H new ATOM 0 HB2 ARG A 42 2.028 -11.388 -5.444 1.00 12.24 H new ATOM 0 HB3 ARG A 42 0.651 -10.649 -6.236 1.00 12.24 H new ATOM 0 HG2 ARG A 42 3.504 -9.606 -6.531 1.00 71.34 H new ATOM 0 HG3 ARG A 42 2.800 -10.791 -7.613 1.00 71.34 H new ATOM 0 HD2 ARG A 42 1.734 -7.960 -7.203 1.00 73.24 H new ATOM 0 HD3 ARG A 42 2.744 -8.471 -8.541 1.00 73.24 H new ATOM 0 HE ARG A 42 0.346 -10.111 -8.235 1.00 21.51 H new ATOM 0 HH11 ARG A 42 1.602 -7.115 -9.707 1.00 3.41 H new ATOM 0 HH12 ARG A 42 0.328 -7.079 -10.930 1.00 3.41 H new ATOM 0 HH21 ARG A 42 -1.240 -10.016 -9.789 1.00 15.40 H new ATOM 0 HH22 ARG A 42 -1.264 -8.706 -10.974 1.00 15.40 H new ATOM 678 N GLU A 43 -0.905 -8.918 -4.774 1.00 53.30 N ATOM 679 CA GLU A 43 -2.102 -8.051 -4.829 1.00 11.01 C ATOM 680 C GLU A 43 -2.120 -7.054 -3.659 1.00 64.41 C ATOM 681 O GLU A 43 -2.590 -5.929 -3.811 1.00 45.22 O ATOM 682 CB GLU A 43 -3.413 -8.877 -4.818 1.00 4.44 C ATOM 683 CG GLU A 43 -3.759 -9.593 -6.132 1.00 51.15 C ATOM 684 CD GLU A 43 -5.137 -10.278 -6.105 1.00 43.41 C ATOM 685 OE1 GLU A 43 -6.071 -9.755 -5.440 1.00 25.34 O ATOM 686 OE2 GLU A 43 -5.306 -11.327 -6.753 1.00 35.03 O ATOM 0 H GLU A 43 -1.121 -9.910 -4.676 1.00 53.30 H new ATOM 0 HA GLU A 43 -2.045 -7.502 -5.769 1.00 11.01 H new ATOM 0 HB2 GLU A 43 -3.344 -9.623 -4.026 1.00 4.44 H new ATOM 0 HB3 GLU A 43 -4.237 -8.213 -4.559 1.00 4.44 H new ATOM 0 HG2 GLU A 43 -3.735 -8.871 -6.949 1.00 51.15 H new ATOM 0 HG3 GLU A 43 -2.994 -10.339 -6.344 1.00 51.15 H new ATOM 693 N ALA A 44 -1.614 -7.492 -2.487 1.00 23.00 N ATOM 694 CA ALA A 44 -1.481 -6.631 -1.302 1.00 3.34 C ATOM 695 C ALA A 44 -0.583 -5.449 -1.635 1.00 25.54 C ATOM 696 O ALA A 44 -0.989 -4.298 -1.473 1.00 54.11 O ATOM 697 CB ALA A 44 -0.926 -7.420 -0.104 1.00 72.31 C ATOM 0 H ALA A 44 -1.289 -8.448 -2.340 1.00 23.00 H new ATOM 0 HA ALA A 44 -2.467 -6.263 -1.020 1.00 3.34 H new ATOM 0 HB1 ALA A 44 -0.838 -6.759 0.758 1.00 72.31 H new ATOM 0 HB2 ALA A 44 -1.602 -8.241 0.136 1.00 72.31 H new ATOM 0 HB3 ALA A 44 0.056 -7.821 -0.356 1.00 72.31 H new ATOM 703 N ALA A 45 0.607 -5.775 -2.185 1.00 75.55 N ATOM 704 CA ALA A 45 1.612 -4.799 -2.607 1.00 61.25 C ATOM 705 C ALA A 45 1.032 -3.806 -3.621 1.00 51.05 C ATOM 706 O ALA A 45 1.286 -2.604 -3.523 1.00 21.23 O ATOM 707 CB ALA A 45 2.832 -5.527 -3.197 1.00 61.40 C ATOM 0 H ALA A 45 0.892 -6.741 -2.347 1.00 75.55 H new ATOM 0 HA ALA A 45 1.927 -4.229 -1.732 1.00 61.25 H new ATOM 0 HB1 ALA A 45 3.577 -4.795 -3.509 1.00 61.40 H new ATOM 0 HB2 ALA A 45 3.264 -6.184 -2.442 1.00 61.40 H new ATOM 0 HB3 ALA A 45 2.521 -6.119 -4.058 1.00 61.40 H new ATOM 713 N GLU A 46 0.246 -4.335 -4.590 1.00 71.34 N ATOM 714 CA GLU A 46 -0.426 -3.530 -5.626 1.00 60.52 C ATOM 715 C GLU A 46 -1.257 -2.406 -4.983 1.00 5.33 C ATOM 716 O GLU A 46 -1.075 -1.229 -5.288 1.00 61.23 O ATOM 717 CB GLU A 46 -1.348 -4.419 -6.511 1.00 54.51 C ATOM 718 CG GLU A 46 -0.631 -5.482 -7.363 1.00 14.12 C ATOM 719 CD GLU A 46 0.387 -4.906 -8.364 1.00 3.23 C ATOM 720 OE1 GLU A 46 -0.009 -4.071 -9.212 1.00 41.03 O ATOM 721 OE2 GLU A 46 1.578 -5.298 -8.326 1.00 3.33 O ATOM 0 H GLU A 46 0.063 -5.335 -4.671 1.00 71.34 H new ATOM 0 HA GLU A 46 0.346 -3.089 -6.256 1.00 60.52 H new ATOM 0 HB2 GLU A 46 -2.067 -4.922 -5.864 1.00 54.51 H new ATOM 0 HB3 GLU A 46 -1.918 -3.770 -7.176 1.00 54.51 H new ATOM 0 HG2 GLU A 46 -0.118 -6.178 -6.699 1.00 14.12 H new ATOM 0 HG3 GLU A 46 -1.378 -6.057 -7.911 1.00 14.12 H new ATOM 728 N TYR A 47 -2.121 -2.808 -4.042 1.00 34.32 N ATOM 729 CA TYR A 47 -3.096 -1.925 -3.383 1.00 53.30 C ATOM 730 C TYR A 47 -2.413 -0.956 -2.393 1.00 52.43 C ATOM 731 O TYR A 47 -2.916 0.147 -2.181 1.00 21.34 O ATOM 732 CB TYR A 47 -4.207 -2.774 -2.695 1.00 44.44 C ATOM 733 CG TYR A 47 -5.186 -3.464 -3.680 1.00 54.43 C ATOM 734 CD1 TYR A 47 -4.723 -4.171 -4.800 1.00 51.41 C ATOM 735 CD2 TYR A 47 -6.566 -3.392 -3.502 1.00 61.33 C ATOM 736 CE1 TYR A 47 -5.584 -4.780 -5.683 1.00 33.41 C ATOM 737 CE2 TYR A 47 -7.434 -4.003 -4.390 1.00 34.33 C ATOM 738 CZ TYR A 47 -6.935 -4.692 -5.477 1.00 11.25 C ATOM 739 OH TYR A 47 -7.796 -5.307 -6.357 1.00 73.42 O ATOM 0 H TYR A 47 -2.164 -3.772 -3.711 1.00 34.32 H new ATOM 0 HA TYR A 47 -3.567 -1.304 -4.145 1.00 53.30 H new ATOM 0 HB2 TYR A 47 -3.734 -3.537 -2.077 1.00 44.44 H new ATOM 0 HB3 TYR A 47 -4.777 -2.130 -2.026 1.00 44.44 H new ATOM 0 HD1 TYR A 47 -3.659 -4.239 -4.974 1.00 51.41 H new ATOM 0 HD2 TYR A 47 -6.965 -2.850 -2.657 1.00 61.33 H new ATOM 0 HE1 TYR A 47 -5.197 -5.324 -6.532 1.00 33.41 H new ATOM 0 HE2 TYR A 47 -8.501 -3.941 -4.233 1.00 34.33 H new ATOM 0 HH TYR A 47 -8.721 -5.152 -6.072 1.00 73.42 H new ATOM 749 N PHE A 48 -1.269 -1.377 -1.794 1.00 20.43 N ATOM 750 CA PHE A 48 -0.467 -0.519 -0.882 1.00 14.14 C ATOM 751 C PHE A 48 0.260 0.576 -1.665 1.00 21.13 C ATOM 752 O PHE A 48 0.471 1.678 -1.155 1.00 23.24 O ATOM 753 CB PHE A 48 0.573 -1.347 -0.073 1.00 24.42 C ATOM 754 CG PHE A 48 -0.037 -2.375 0.876 1.00 12.42 C ATOM 755 CD1 PHE A 48 -1.234 -2.107 1.541 1.00 44.43 C ATOM 756 CD2 PHE A 48 0.587 -3.599 1.115 1.00 13.11 C ATOM 757 CE1 PHE A 48 -1.787 -3.020 2.403 1.00 21.04 C ATOM 758 CE2 PHE A 48 0.027 -4.521 1.983 1.00 12.15 C ATOM 759 CZ PHE A 48 -1.159 -4.232 2.624 1.00 41.44 C ATOM 0 H PHE A 48 -0.880 -2.310 -1.927 1.00 20.43 H new ATOM 0 HA PHE A 48 -1.167 -0.064 -0.181 1.00 14.14 H new ATOM 0 HB2 PHE A 48 1.231 -1.862 -0.772 1.00 24.42 H new ATOM 0 HB3 PHE A 48 1.194 -0.662 0.504 1.00 24.42 H new ATOM 0 HD1 PHE A 48 -1.734 -1.164 1.374 1.00 44.43 H new ATOM 0 HD2 PHE A 48 1.517 -3.830 0.618 1.00 13.11 H new ATOM 0 HE1 PHE A 48 -2.713 -2.792 2.909 1.00 21.04 H new ATOM 0 HE2 PHE A 48 0.519 -5.466 2.158 1.00 12.15 H new ATOM 0 HZ PHE A 48 -1.598 -4.952 3.299 1.00 41.44 H new ATOM 769 N PHE A 49 0.649 0.241 -2.906 1.00 2.51 N ATOM 770 CA PHE A 49 1.281 1.185 -3.837 1.00 55.42 C ATOM 771 C PHE A 49 0.278 2.263 -4.256 1.00 34.44 C ATOM 772 O PHE A 49 0.566 3.454 -4.176 1.00 24.22 O ATOM 773 CB PHE A 49 1.806 0.425 -5.082 1.00 62.45 C ATOM 774 CG PHE A 49 2.361 1.334 -6.185 1.00 72.33 C ATOM 775 CD1 PHE A 49 3.512 2.078 -5.965 1.00 1.42 C ATOM 776 CD2 PHE A 49 1.735 1.449 -7.430 1.00 24.33 C ATOM 777 CE1 PHE A 49 4.017 2.892 -6.944 1.00 40.31 C ATOM 778 CE2 PHE A 49 2.254 2.275 -8.408 1.00 31.43 C ATOM 779 CZ PHE A 49 3.399 2.998 -8.160 1.00 23.23 C ATOM 0 H PHE A 49 0.533 -0.696 -3.291 1.00 2.51 H new ATOM 0 HA PHE A 49 2.122 1.668 -3.338 1.00 55.42 H new ATOM 0 HB2 PHE A 49 2.588 -0.266 -4.769 1.00 62.45 H new ATOM 0 HB3 PHE A 49 0.996 -0.176 -5.495 1.00 62.45 H new ATOM 0 HD1 PHE A 49 4.015 2.014 -5.011 1.00 1.42 H new ATOM 0 HD2 PHE A 49 0.835 0.886 -7.629 1.00 24.33 H new ATOM 0 HE1 PHE A 49 4.916 3.459 -6.753 1.00 40.31 H new ATOM 0 HE2 PHE A 49 1.762 2.354 -9.366 1.00 31.43 H new ATOM 0 HZ PHE A 49 3.807 3.646 -8.922 1.00 23.23 H new ATOM 789 N ARG A 50 -0.906 1.803 -4.694 1.00 44.43 N ATOM 790 CA ARG A 50 -2.003 2.671 -5.166 1.00 22.10 C ATOM 791 C ARG A 50 -2.536 3.542 -4.007 1.00 45.44 C ATOM 792 O ARG A 50 -2.953 4.683 -4.219 1.00 2.54 O ATOM 793 CB ARG A 50 -3.120 1.791 -5.782 1.00 45.11 C ATOM 794 CG ARG A 50 -2.631 0.889 -6.943 1.00 4.53 C ATOM 795 CD ARG A 50 -3.634 -0.216 -7.328 1.00 54.24 C ATOM 796 NE ARG A 50 -2.988 -1.271 -8.134 1.00 21.35 N ATOM 797 CZ ARG A 50 -3.600 -2.351 -8.635 1.00 31.00 C ATOM 798 NH1 ARG A 50 -4.901 -2.566 -8.446 1.00 20.31 N ATOM 799 NH2 ARG A 50 -2.886 -3.252 -9.288 1.00 73.35 N ATOM 0 H ARG A 50 -1.133 0.809 -4.732 1.00 44.43 H new ATOM 0 HA ARG A 50 -1.634 3.349 -5.936 1.00 22.10 H new ATOM 0 HB2 ARG A 50 -3.548 1.163 -5.001 1.00 45.11 H new ATOM 0 HB3 ARG A 50 -3.920 2.436 -6.146 1.00 45.11 H new ATOM 0 HG2 ARG A 50 -2.434 1.510 -7.817 1.00 4.53 H new ATOM 0 HG3 ARG A 50 -1.685 0.427 -6.660 1.00 4.53 H new ATOM 0 HD2 ARG A 50 -4.059 -0.654 -6.425 1.00 54.24 H new ATOM 0 HD3 ARG A 50 -4.460 0.220 -7.890 1.00 54.24 H new ATOM 0 HE ARG A 50 -1.991 -1.168 -8.325 1.00 21.35 H new ATOM 0 HH11 ARG A 50 -5.455 -1.899 -7.909 1.00 20.31 H new ATOM 0 HH12 ARG A 50 -5.343 -3.397 -8.839 1.00 20.31 H new ATOM 0 HH21 ARG A 50 -1.881 -3.120 -9.405 1.00 73.35 H new ATOM 0 HH22 ARG A 50 -3.340 -4.080 -9.675 1.00 73.35 H new ATOM 813 N ALA A 51 -2.481 2.979 -2.781 1.00 13.22 N ATOM 814 CA ALA A 51 -2.800 3.701 -1.542 1.00 14.43 C ATOM 815 C ALA A 51 -1.761 4.810 -1.306 1.00 13.32 C ATOM 816 O ALA A 51 -2.133 5.950 -1.030 1.00 24.33 O ATOM 817 CB ALA A 51 -2.844 2.729 -0.351 1.00 22.52 C ATOM 0 H ALA A 51 -2.212 2.007 -2.628 1.00 13.22 H new ATOM 0 HA ALA A 51 -3.784 4.159 -1.638 1.00 14.43 H new ATOM 0 HB1 ALA A 51 -3.082 3.279 0.559 1.00 22.52 H new ATOM 0 HB2 ALA A 51 -3.608 1.972 -0.527 1.00 22.52 H new ATOM 0 HB3 ALA A 51 -1.873 2.246 -0.240 1.00 22.52 H new ATOM 823 N ALA A 52 -0.461 4.449 -1.467 1.00 44.24 N ATOM 824 CA ALA A 52 0.681 5.369 -1.275 1.00 50.14 C ATOM 825 C ALA A 52 0.623 6.559 -2.250 1.00 22.41 C ATOM 826 O ALA A 52 1.055 7.659 -1.907 1.00 5.13 O ATOM 827 CB ALA A 52 2.018 4.615 -1.426 1.00 42.32 C ATOM 0 H ALA A 52 -0.179 3.506 -1.735 1.00 44.24 H new ATOM 0 HA ALA A 52 0.614 5.766 -0.262 1.00 50.14 H new ATOM 0 HB1 ALA A 52 2.846 5.309 -1.281 1.00 42.32 H new ATOM 0 HB2 ALA A 52 2.075 3.822 -0.680 1.00 42.32 H new ATOM 0 HB3 ALA A 52 2.080 4.180 -2.423 1.00 42.32 H new ATOM 833 N ILE A 53 0.081 6.305 -3.470 1.00 65.54 N ATOM 834 CA ILE A 53 -0.192 7.345 -4.481 1.00 4.24 C ATOM 835 C ILE A 53 -1.179 8.387 -3.916 1.00 53.54 C ATOM 836 O ILE A 53 -0.904 9.580 -3.960 1.00 75.10 O ATOM 837 CB ILE A 53 -0.762 6.720 -5.821 1.00 4.44 C ATOM 838 CG1 ILE A 53 0.282 5.749 -6.452 1.00 3.34 C ATOM 839 CG2 ILE A 53 -1.187 7.813 -6.841 1.00 34.20 C ATOM 840 CD1 ILE A 53 -0.160 5.054 -7.724 1.00 52.52 C ATOM 0 H ILE A 53 -0.178 5.367 -3.775 1.00 65.54 H new ATOM 0 HA ILE A 53 0.752 7.836 -4.719 1.00 4.24 H new ATOM 0 HB ILE A 53 -1.659 6.156 -5.565 1.00 4.44 H new ATOM 0 HG12 ILE A 53 1.193 6.309 -6.662 1.00 3.34 H new ATOM 0 HG13 ILE A 53 0.539 4.989 -5.714 1.00 3.34 H new ATOM 0 HG21 ILE A 53 -1.571 7.338 -7.744 1.00 34.20 H new ATOM 0 HG22 ILE A 53 -1.964 8.439 -6.401 1.00 34.20 H new ATOM 0 HG23 ILE A 53 -0.324 8.429 -7.094 1.00 34.20 H new ATOM 0 HD11 ILE A 53 0.639 4.403 -8.079 1.00 52.52 H new ATOM 0 HD12 ILE A 53 -1.051 4.459 -7.523 1.00 52.52 H new ATOM 0 HD13 ILE A 53 -0.386 5.800 -8.486 1.00 52.52 H new ATOM 852 N VAL A 54 -2.300 7.904 -3.346 1.00 70.35 N ATOM 853 CA VAL A 54 -3.352 8.768 -2.763 1.00 65.23 C ATOM 854 C VAL A 54 -2.781 9.644 -1.629 1.00 65.25 C ATOM 855 O VAL A 54 -3.001 10.861 -1.596 1.00 51.23 O ATOM 856 CB VAL A 54 -4.568 7.921 -2.233 1.00 32.35 C ATOM 857 CG1 VAL A 54 -5.651 8.832 -1.610 1.00 13.22 C ATOM 858 CG2 VAL A 54 -5.154 7.035 -3.363 1.00 35.31 C ATOM 0 H VAL A 54 -2.504 6.907 -3.275 1.00 70.35 H new ATOM 0 HA VAL A 54 -3.714 9.418 -3.560 1.00 65.23 H new ATOM 0 HB VAL A 54 -4.205 7.260 -1.446 1.00 32.35 H new ATOM 0 HG11 VAL A 54 -6.479 8.220 -1.252 1.00 13.22 H new ATOM 0 HG12 VAL A 54 -5.223 9.387 -0.775 1.00 13.22 H new ATOM 0 HG13 VAL A 54 -6.015 9.531 -2.363 1.00 13.22 H new ATOM 0 HG21 VAL A 54 -5.993 6.458 -2.975 1.00 35.31 H new ATOM 0 HG22 VAL A 54 -5.497 7.668 -4.181 1.00 35.31 H new ATOM 0 HG23 VAL A 54 -4.384 6.355 -3.728 1.00 35.31 H new ATOM 868 N PHE A 55 -1.994 8.993 -0.745 1.00 51.34 N ATOM 869 CA PHE A 55 -1.337 9.658 0.396 1.00 13.43 C ATOM 870 C PHE A 55 -0.324 10.704 -0.084 1.00 12.44 C ATOM 871 O PHE A 55 -0.159 11.739 0.551 1.00 5.21 O ATOM 872 CB PHE A 55 -0.627 8.624 1.308 1.00 53.00 C ATOM 873 CG PHE A 55 -1.563 7.620 1.979 1.00 64.03 C ATOM 874 CD1 PHE A 55 -2.668 8.055 2.713 1.00 11.55 C ATOM 875 CD2 PHE A 55 -1.324 6.245 1.907 1.00 2.43 C ATOM 876 CE1 PHE A 55 -3.496 7.147 3.348 1.00 23.35 C ATOM 877 CE2 PHE A 55 -2.155 5.343 2.538 1.00 25.04 C ATOM 878 CZ PHE A 55 -3.236 5.795 3.261 1.00 43.44 C ATOM 0 H PHE A 55 -1.798 7.994 -0.804 1.00 51.34 H new ATOM 0 HA PHE A 55 -2.114 10.161 0.972 1.00 13.43 H new ATOM 0 HB2 PHE A 55 0.105 8.077 0.714 1.00 53.00 H new ATOM 0 HB3 PHE A 55 -0.075 9.159 2.081 1.00 53.00 H new ATOM 0 HD1 PHE A 55 -2.879 9.112 2.786 1.00 11.55 H new ATOM 0 HD2 PHE A 55 -0.474 5.883 1.348 1.00 2.43 H new ATOM 0 HE1 PHE A 55 -4.347 7.497 3.913 1.00 23.35 H new ATOM 0 HE2 PHE A 55 -1.958 4.284 2.465 1.00 25.04 H new ATOM 0 HZ PHE A 55 -3.882 5.089 3.761 1.00 43.44 H new ATOM 888 N TYR A 56 0.337 10.419 -1.221 1.00 33.12 N ATOM 889 CA TYR A 56 1.336 11.316 -1.811 1.00 21.22 C ATOM 890 C TYR A 56 0.674 12.578 -2.422 1.00 41.23 C ATOM 891 O TYR A 56 1.250 13.668 -2.328 1.00 33.14 O ATOM 892 CB TYR A 56 2.186 10.581 -2.882 1.00 12.41 C ATOM 893 CG TYR A 56 3.179 11.515 -3.591 1.00 4.24 C ATOM 894 CD1 TYR A 56 4.296 12.009 -2.916 1.00 13.11 C ATOM 895 CD2 TYR A 56 2.957 11.961 -4.896 1.00 74.22 C ATOM 896 CE1 TYR A 56 5.157 12.891 -3.520 1.00 71.11 C ATOM 897 CE2 TYR A 56 3.802 12.850 -5.498 1.00 72.11 C ATOM 898 CZ TYR A 56 4.901 13.313 -4.814 1.00 44.11 C ATOM 899 OH TYR A 56 5.734 14.222 -5.413 1.00 32.41 O ATOM 0 H TYR A 56 0.191 9.561 -1.752 1.00 33.12 H new ATOM 0 HA TYR A 56 1.998 11.636 -1.006 1.00 21.22 H new ATOM 0 HB2 TYR A 56 2.734 9.766 -2.409 1.00 12.41 H new ATOM 0 HB3 TYR A 56 1.523 10.133 -3.622 1.00 12.41 H new ATOM 0 HD1 TYR A 56 4.486 11.692 -1.901 1.00 13.11 H new ATOM 0 HD2 TYR A 56 2.099 11.595 -5.441 1.00 74.22 H new ATOM 0 HE1 TYR A 56 6.026 13.253 -2.991 1.00 71.11 H new ATOM 0 HE2 TYR A 56 3.608 13.187 -6.505 1.00 72.11 H new ATOM 0 HH TYR A 56 5.414 14.411 -6.320 1.00 32.41 H new ATOM 909 N LYS A 57 -0.494 12.408 -3.093 1.00 1.40 N ATOM 910 CA LYS A 57 -1.307 13.542 -3.614 1.00 4.35 C ATOM 911 C LYS A 57 -1.625 14.546 -2.495 1.00 40.12 C ATOM 912 O LYS A 57 -1.483 15.760 -2.673 1.00 55.43 O ATOM 913 CB LYS A 57 -2.643 13.038 -4.288 1.00 55.01 C ATOM 914 CG LYS A 57 -2.627 12.915 -5.841 1.00 54.43 C ATOM 915 CD LYS A 57 -2.037 11.581 -6.377 1.00 54.24 C ATOM 916 CE LYS A 57 -0.501 11.475 -6.309 1.00 65.23 C ATOM 917 NZ LYS A 57 0.169 12.386 -7.253 1.00 65.13 N ATOM 0 H LYS A 57 -0.897 11.492 -3.288 1.00 1.40 H new ATOM 0 HA LYS A 57 -0.712 14.043 -4.378 1.00 4.35 H new ATOM 0 HB2 LYS A 57 -2.891 12.062 -3.870 1.00 55.01 H new ATOM 0 HB3 LYS A 57 -3.446 13.719 -4.007 1.00 55.01 H new ATOM 0 HG2 LYS A 57 -3.647 13.021 -6.212 1.00 54.43 H new ATOM 0 HG3 LYS A 57 -2.050 13.744 -6.252 1.00 54.43 H new ATOM 0 HD2 LYS A 57 -2.469 10.756 -5.810 1.00 54.24 H new ATOM 0 HD3 LYS A 57 -2.350 11.453 -7.413 1.00 54.24 H new ATOM 0 HE2 LYS A 57 -0.169 11.699 -5.295 1.00 65.23 H new ATOM 0 HE3 LYS A 57 -0.201 10.449 -6.524 1.00 65.23 H new ATOM 0 HZ1 LYS A 57 1.198 12.241 -7.205 1.00 65.13 H new ATOM 0 HZ2 LYS A 57 -0.164 12.191 -8.219 1.00 65.13 H new ATOM 0 HZ3 LYS A 57 -0.053 13.371 -7.002 1.00 65.13 H new ATOM 931 N GLU A 58 -2.026 14.003 -1.339 1.00 41.20 N ATOM 932 CA GLU A 58 -2.344 14.788 -0.130 1.00 32.13 C ATOM 933 C GLU A 58 -1.081 15.137 0.673 1.00 71.41 C ATOM 934 O GLU A 58 -1.160 15.920 1.619 1.00 3.41 O ATOM 935 CB GLU A 58 -3.394 14.024 0.744 1.00 62.40 C ATOM 936 CG GLU A 58 -4.873 14.240 0.331 1.00 32.12 C ATOM 937 CD GLU A 58 -5.167 13.943 -1.148 1.00 35.21 C ATOM 938 OE1 GLU A 58 -5.433 12.777 -1.490 1.00 53.12 O ATOM 939 OE2 GLU A 58 -5.142 14.891 -1.982 1.00 61.31 O ATOM 0 H GLU A 58 -2.141 12.998 -1.211 1.00 41.20 H new ATOM 0 HA GLU A 58 -2.782 15.736 -0.443 1.00 32.13 H new ATOM 0 HB2 GLU A 58 -3.173 12.958 0.701 1.00 62.40 H new ATOM 0 HB3 GLU A 58 -3.274 14.333 1.782 1.00 62.40 H new ATOM 0 HG2 GLU A 58 -5.507 13.605 0.950 1.00 32.12 H new ATOM 0 HG3 GLU A 58 -5.150 15.272 0.544 1.00 32.12 H new ATOM 946 N HIS A 59 0.073 14.538 0.285 1.00 21.14 N ATOM 947 CA HIS A 59 1.399 14.763 0.915 1.00 13.10 C ATOM 948 C HIS A 59 1.400 14.391 2.410 1.00 53.22 C ATOM 949 O HIS A 59 2.195 14.911 3.204 1.00 43.41 O ATOM 950 CB HIS A 59 1.895 16.218 0.659 1.00 60.01 C ATOM 951 CG HIS A 59 2.256 16.484 -0.777 1.00 32.33 C ATOM 952 ND1 HIS A 59 3.539 16.357 -1.255 1.00 63.22 N ATOM 953 CD2 HIS A 59 1.501 16.832 -1.837 1.00 33.44 C ATOM 954 CE1 HIS A 59 3.558 16.623 -2.536 1.00 23.12 C ATOM 955 NE2 HIS A 59 2.332 16.911 -2.917 1.00 2.54 N ATOM 0 H HIS A 59 0.109 13.873 -0.488 1.00 21.14 H new ATOM 0 HA HIS A 59 2.113 14.090 0.440 1.00 13.10 H new ATOM 0 HB2 HIS A 59 1.118 16.918 0.966 1.00 60.01 H new ATOM 0 HB3 HIS A 59 2.765 16.413 1.286 1.00 60.01 H new ATOM 0 HD1 HIS A 59 4.351 16.095 -0.697 1.00 63.22 H new ATOM 0 HD2 HIS A 59 0.437 17.014 -1.833 1.00 33.44 H new ATOM 0 HE1 HIS A 59 4.431 16.609 -3.172 1.00 23.12 H new ATOM 964 N ASP A 60 0.534 13.420 2.749 1.00 5.11 N ATOM 965 CA ASP A 60 0.375 12.875 4.096 1.00 12.33 C ATOM 966 C ASP A 60 1.487 11.845 4.327 1.00 41.04 C ATOM 967 O ASP A 60 1.404 10.711 3.831 1.00 62.32 O ATOM 968 CB ASP A 60 -1.039 12.230 4.226 1.00 30.00 C ATOM 969 CG ASP A 60 -1.372 11.811 5.666 1.00 43.22 C ATOM 970 OD1 ASP A 60 -0.997 10.694 6.089 1.00 64.15 O ATOM 971 OD2 ASP A 60 -2.003 12.608 6.392 1.00 61.03 O ATOM 0 H ASP A 60 -0.089 12.985 2.069 1.00 5.11 H new ATOM 0 HA ASP A 60 0.455 13.657 4.851 1.00 12.33 H new ATOM 0 HB2 ASP A 60 -1.790 12.938 3.876 1.00 30.00 H new ATOM 0 HB3 ASP A 60 -1.096 11.357 3.576 1.00 30.00 H new ATOM 976 N THR A 61 2.544 12.282 5.029 1.00 73.12 N ATOM 977 CA THR A 61 3.758 11.489 5.257 1.00 54.33 C ATOM 978 C THR A 61 3.487 10.206 6.043 1.00 63.41 C ATOM 979 O THR A 61 4.051 9.183 5.712 1.00 54.11 O ATOM 980 CB THR A 61 4.851 12.325 6.003 1.00 52.44 C ATOM 981 OG1 THR A 61 4.294 12.907 7.193 1.00 0.01 O ATOM 982 CG2 THR A 61 5.428 13.424 5.108 1.00 53.03 C ATOM 0 H THR A 61 2.578 13.207 5.458 1.00 73.12 H new ATOM 0 HA THR A 61 4.120 11.210 4.267 1.00 54.33 H new ATOM 0 HB THR A 61 5.664 11.650 6.271 1.00 52.44 H new ATOM 0 HG1 THR A 61 4.983 13.427 7.656 1.00 0.01 H new ATOM 0 HG21 THR A 61 6.183 13.983 5.660 1.00 53.03 H new ATOM 0 HG22 THR A 61 5.883 12.973 4.226 1.00 53.03 H new ATOM 0 HG23 THR A 61 4.630 14.099 4.800 1.00 53.03 H new ATOM 990 N ASP A 62 2.617 10.281 7.072 1.00 70.12 N ATOM 991 CA ASP A 62 2.348 9.137 7.981 1.00 10.13 C ATOM 992 C ASP A 62 1.685 7.964 7.232 1.00 32.22 C ATOM 993 O ASP A 62 2.020 6.795 7.478 1.00 14.03 O ATOM 994 CB ASP A 62 1.469 9.568 9.197 1.00 12.41 C ATOM 995 CG ASP A 62 2.203 10.500 10.181 1.00 13.23 C ATOM 996 OD1 ASP A 62 2.952 9.996 11.051 1.00 20.05 O ATOM 997 OD2 ASP A 62 2.042 11.740 10.091 1.00 32.13 O ATOM 0 H ASP A 62 2.086 11.122 7.298 1.00 70.12 H new ATOM 0 HA ASP A 62 3.312 8.798 8.360 1.00 10.13 H new ATOM 0 HB2 ASP A 62 0.575 10.071 8.830 1.00 12.41 H new ATOM 0 HB3 ASP A 62 1.137 8.677 9.730 1.00 12.41 H new ATOM 1002 N GLY A 63 0.756 8.294 6.318 1.00 33.54 N ATOM 1003 CA GLY A 63 0.063 7.296 5.507 1.00 0.31 C ATOM 1004 C GLY A 63 0.967 6.708 4.435 1.00 3.11 C ATOM 1005 O GLY A 63 0.989 5.492 4.240 1.00 61.44 O ATOM 0 H GLY A 63 0.471 9.254 6.127 1.00 33.54 H new ATOM 0 HA2 GLY A 63 -0.304 6.497 6.151 1.00 0.31 H new ATOM 0 HA3 GLY A 63 -0.808 7.752 5.037 1.00 0.31 H new ATOM 1009 N LEU A 64 1.708 7.597 3.750 1.00 41.32 N ATOM 1010 CA LEU A 64 2.704 7.244 2.708 1.00 71.14 C ATOM 1011 C LEU A 64 3.811 6.331 3.293 1.00 73.14 C ATOM 1012 O LEU A 64 4.287 5.402 2.641 1.00 73.35 O ATOM 1013 CB LEU A 64 3.309 8.568 2.160 1.00 34.21 C ATOM 1014 CG LEU A 64 4.411 8.455 1.057 1.00 4.12 C ATOM 1015 CD1 LEU A 64 3.863 7.841 -0.243 1.00 12.31 C ATOM 1016 CD2 LEU A 64 5.054 9.831 0.792 1.00 32.33 C ATOM 0 H LEU A 64 1.634 8.603 3.904 1.00 41.32 H new ATOM 0 HA LEU A 64 2.225 6.690 1.901 1.00 71.14 H new ATOM 0 HB2 LEU A 64 2.493 9.171 1.760 1.00 34.21 H new ATOM 0 HB3 LEU A 64 3.730 9.119 3.001 1.00 34.21 H new ATOM 0 HG LEU A 64 5.181 7.779 1.429 1.00 4.12 H new ATOM 0 HD11 LEU A 64 4.662 7.781 -0.982 1.00 12.31 H new ATOM 0 HD12 LEU A 64 3.481 6.841 -0.040 1.00 12.31 H new ATOM 0 HD13 LEU A 64 3.058 8.466 -0.629 1.00 12.31 H new ATOM 0 HD21 LEU A 64 5.819 9.733 0.021 1.00 32.33 H new ATOM 0 HD22 LEU A 64 4.289 10.532 0.457 1.00 32.33 H new ATOM 0 HD23 LEU A 64 5.509 10.203 1.710 1.00 32.33 H new ATOM 1028 N ARG A 65 4.155 6.630 4.551 1.00 10.44 N ATOM 1029 CA ARG A 65 5.139 5.902 5.373 1.00 45.33 C ATOM 1030 C ARG A 65 4.636 4.486 5.673 1.00 20.24 C ATOM 1031 O ARG A 65 5.344 3.516 5.434 1.00 13.44 O ATOM 1032 CB ARG A 65 5.351 6.712 6.683 1.00 72.22 C ATOM 1033 CG ARG A 65 6.149 6.058 7.833 1.00 24.14 C ATOM 1034 CD ARG A 65 6.115 6.968 9.080 1.00 25.41 C ATOM 1035 NE ARG A 65 6.795 6.407 10.255 1.00 21.14 N ATOM 1036 CZ ARG A 65 6.660 6.891 11.505 1.00 35.01 C ATOM 1037 NH1 ARG A 65 5.879 7.940 11.754 1.00 12.00 N ATOM 1038 NH2 ARG A 65 7.325 6.331 12.501 1.00 25.11 N ATOM 0 H ARG A 65 3.740 7.418 5.048 1.00 10.44 H new ATOM 0 HA ARG A 65 6.086 5.802 4.843 1.00 45.33 H new ATOM 0 HB2 ARG A 65 5.852 7.643 6.419 1.00 72.22 H new ATOM 0 HB3 ARG A 65 4.368 6.978 7.071 1.00 72.22 H new ATOM 0 HG2 ARG A 65 5.726 5.083 8.072 1.00 24.14 H new ATOM 0 HG3 ARG A 65 7.180 5.890 7.522 1.00 24.14 H new ATOM 0 HD2 ARG A 65 6.575 7.924 8.830 1.00 25.41 H new ATOM 0 HD3 ARG A 65 5.076 7.172 9.339 1.00 25.41 H new ATOM 0 HE ARG A 65 7.406 5.602 10.116 1.00 21.14 H new ATOM 0 HH11 ARG A 65 5.371 8.390 10.992 1.00 12.00 H new ATOM 0 HH12 ARG A 65 5.788 8.294 12.706 1.00 12.00 H new ATOM 0 HH21 ARG A 65 7.938 5.535 12.322 1.00 25.11 H new ATOM 0 HH22 ARG A 65 7.225 6.695 13.449 1.00 25.11 H new ATOM 1052 N ARG A 66 3.391 4.395 6.169 1.00 43.52 N ATOM 1053 CA ARG A 66 2.762 3.118 6.546 1.00 33.21 C ATOM 1054 C ARG A 66 2.574 2.215 5.313 1.00 11.43 C ATOM 1055 O ARG A 66 2.824 1.019 5.375 1.00 61.15 O ATOM 1056 CB ARG A 66 1.411 3.384 7.250 1.00 20.12 C ATOM 1057 CG ARG A 66 0.714 2.113 7.803 1.00 14.15 C ATOM 1058 CD ARG A 66 -0.581 2.427 8.570 1.00 1.33 C ATOM 1059 NE ARG A 66 -0.323 3.344 9.699 1.00 54.02 N ATOM 1060 CZ ARG A 66 -1.136 4.325 10.106 1.00 21.22 C ATOM 1061 NH1 ARG A 66 -2.302 4.548 9.503 1.00 33.35 N ATOM 1062 NH2 ARG A 66 -0.763 5.094 11.117 1.00 23.23 N ATOM 0 H ARG A 66 2.791 5.206 6.320 1.00 43.52 H new ATOM 0 HA ARG A 66 3.419 2.595 7.241 1.00 33.21 H new ATOM 0 HB2 ARG A 66 1.575 4.080 8.072 1.00 20.12 H new ATOM 0 HB3 ARG A 66 0.739 3.875 6.546 1.00 20.12 H new ATOM 0 HG2 ARG A 66 0.487 1.440 6.976 1.00 14.15 H new ATOM 0 HG3 ARG A 66 1.402 1.585 8.463 1.00 14.15 H new ATOM 0 HD2 ARG A 66 -1.308 2.875 7.893 1.00 1.33 H new ATOM 0 HD3 ARG A 66 -1.020 1.501 8.943 1.00 1.33 H new ATOM 0 HE ARG A 66 0.550 3.218 10.212 1.00 54.02 H new ATOM 0 HH11 ARG A 66 -2.589 3.966 8.716 1.00 33.35 H new ATOM 0 HH12 ARG A 66 -2.908 5.301 9.828 1.00 33.35 H new ATOM 0 HH21 ARG A 66 0.134 4.935 11.575 1.00 23.23 H new ATOM 0 HH22 ARG A 66 -1.373 5.846 11.438 1.00 23.23 H new ATOM 1076 N ALA A 67 2.174 2.828 4.187 1.00 70.24 N ATOM 1077 CA ALA A 67 1.959 2.121 2.916 1.00 55.54 C ATOM 1078 C ALA A 67 3.293 1.618 2.333 1.00 72.31 C ATOM 1079 O ALA A 67 3.334 0.559 1.707 1.00 64.32 O ATOM 1080 CB ALA A 67 1.229 3.039 1.925 1.00 12.35 C ATOM 0 H ALA A 67 1.991 3.830 4.133 1.00 70.24 H new ATOM 0 HA ALA A 67 1.335 1.247 3.101 1.00 55.54 H new ATOM 0 HB1 ALA A 67 1.073 2.509 0.985 1.00 12.35 H new ATOM 0 HB2 ALA A 67 0.265 3.331 2.342 1.00 12.35 H new ATOM 0 HB3 ALA A 67 1.830 3.930 1.744 1.00 12.35 H new ATOM 1086 N ALA A 68 4.378 2.390 2.577 1.00 32.03 N ATOM 1087 CA ALA A 68 5.744 2.040 2.141 1.00 64.22 C ATOM 1088 C ALA A 68 6.310 0.858 2.953 1.00 14.15 C ATOM 1089 O ALA A 68 6.943 -0.036 2.384 1.00 10.14 O ATOM 1090 CB ALA A 68 6.676 3.258 2.258 1.00 24.03 C ATOM 0 H ALA A 68 4.327 3.274 3.083 1.00 32.03 H new ATOM 0 HA ALA A 68 5.689 1.735 1.096 1.00 64.22 H new ATOM 0 HB1 ALA A 68 7.679 2.981 1.932 1.00 24.03 H new ATOM 0 HB2 ALA A 68 6.300 4.065 1.630 1.00 24.03 H new ATOM 0 HB3 ALA A 68 6.710 3.592 3.295 1.00 24.03 H new ATOM 1096 N LYS A 69 6.081 0.889 4.283 1.00 62.31 N ATOM 1097 CA LYS A 69 6.506 -0.178 5.219 1.00 22.03 C ATOM 1098 C LYS A 69 5.731 -1.477 4.933 1.00 70.41 C ATOM 1099 O LYS A 69 6.296 -2.573 4.963 1.00 24.12 O ATOM 1100 CB LYS A 69 6.274 0.270 6.687 1.00 13.42 C ATOM 1101 CG LYS A 69 7.120 1.496 7.106 1.00 14.05 C ATOM 1102 CD LYS A 69 6.899 1.963 8.567 1.00 1.32 C ATOM 1103 CE LYS A 69 7.574 1.049 9.607 1.00 72.41 C ATOM 1104 NZ LYS A 69 6.900 -0.262 9.772 1.00 54.34 N ATOM 0 H LYS A 69 5.593 1.659 4.742 1.00 62.31 H new ATOM 0 HA LYS A 69 7.570 -0.365 5.074 1.00 22.03 H new ATOM 0 HB2 LYS A 69 5.218 0.505 6.823 1.00 13.42 H new ATOM 0 HB3 LYS A 69 6.503 -0.563 7.352 1.00 13.42 H new ATOM 0 HG2 LYS A 69 8.175 1.257 6.971 1.00 14.05 H new ATOM 0 HG3 LYS A 69 6.892 2.324 6.435 1.00 14.05 H new ATOM 0 HD2 LYS A 69 7.284 2.976 8.679 1.00 1.32 H new ATOM 0 HD3 LYS A 69 5.829 2.005 8.770 1.00 1.32 H new ATOM 0 HE2 LYS A 69 8.610 0.881 9.313 1.00 72.41 H new ATOM 0 HE3 LYS A 69 7.595 1.561 10.569 1.00 72.41 H new ATOM 0 HZ1 LYS A 69 6.870 -0.513 10.781 1.00 54.34 H new ATOM 0 HZ2 LYS A 69 5.930 -0.203 9.401 1.00 54.34 H new ATOM 0 HZ3 LYS A 69 7.426 -0.991 9.250 1.00 54.34 H new ATOM 1118 N SER A 70 4.434 -1.302 4.621 1.00 44.30 N ATOM 1119 CA SER A 70 3.514 -2.396 4.312 1.00 31.12 C ATOM 1120 C SER A 70 3.870 -3.025 2.956 1.00 14.45 C ATOM 1121 O SER A 70 3.694 -4.229 2.769 1.00 61.40 O ATOM 1122 CB SER A 70 2.064 -1.868 4.316 1.00 12.52 C ATOM 1123 OG SER A 70 1.136 -2.927 4.370 1.00 44.10 O ATOM 0 H SER A 70 3.996 -0.382 4.578 1.00 44.30 H new ATOM 0 HA SER A 70 3.604 -3.171 5.073 1.00 31.12 H new ATOM 0 HB2 SER A 70 1.917 -1.208 5.171 1.00 12.52 H new ATOM 0 HB3 SER A 70 1.889 -1.273 3.420 1.00 12.52 H new ATOM 0 HG SER A 70 0.885 -3.189 3.460 1.00 44.10 H new ATOM 1129 N LEU A 71 4.385 -2.179 2.023 1.00 14.42 N ATOM 1130 CA LEU A 71 4.933 -2.624 0.728 1.00 34.51 C ATOM 1131 C LEU A 71 6.132 -3.554 0.946 1.00 31.14 C ATOM 1132 O LEU A 71 6.225 -4.589 0.302 1.00 74.54 O ATOM 1133 CB LEU A 71 5.321 -1.404 -0.175 1.00 2.11 C ATOM 1134 CG LEU A 71 4.215 -0.957 -1.183 1.00 23.33 C ATOM 1135 CD1 LEU A 71 4.456 0.456 -1.706 1.00 30.15 C ATOM 1136 CD2 LEU A 71 4.111 -1.956 -2.350 1.00 12.34 C ATOM 0 H LEU A 71 4.428 -1.169 2.156 1.00 14.42 H new ATOM 0 HA LEU A 71 4.157 -3.183 0.205 1.00 34.51 H new ATOM 0 HB2 LEU A 71 5.570 -0.559 0.467 1.00 2.11 H new ATOM 0 HB3 LEU A 71 6.222 -1.656 -0.734 1.00 2.11 H new ATOM 0 HG LEU A 71 3.268 -0.946 -0.643 1.00 23.33 H new ATOM 0 HD11 LEU A 71 3.663 0.726 -2.404 1.00 30.15 H new ATOM 0 HD12 LEU A 71 4.459 1.157 -0.872 1.00 30.15 H new ATOM 0 HD13 LEU A 71 5.418 0.496 -2.217 1.00 30.15 H new ATOM 0 HD21 LEU A 71 3.335 -1.628 -3.042 1.00 12.34 H new ATOM 0 HD22 LEU A 71 5.066 -2.006 -2.873 1.00 12.34 H new ATOM 0 HD23 LEU A 71 3.858 -2.943 -1.963 1.00 12.34 H new ATOM 1148 N LYS A 72 7.028 -3.180 1.887 1.00 53.00 N ATOM 1149 CA LYS A 72 8.234 -3.979 2.206 1.00 11.50 C ATOM 1150 C LYS A 72 7.840 -5.386 2.673 1.00 12.52 C ATOM 1151 O LYS A 72 8.401 -6.370 2.202 1.00 10.33 O ATOM 1152 CB LYS A 72 9.112 -3.286 3.286 1.00 13.32 C ATOM 1153 CG LYS A 72 9.570 -1.862 2.905 1.00 0.42 C ATOM 1154 CD LYS A 72 10.359 -1.810 1.568 1.00 65.34 C ATOM 1155 CE LYS A 72 10.717 -0.374 1.153 1.00 61.25 C ATOM 1156 NZ LYS A 72 9.503 0.489 1.027 1.00 34.13 N ATOM 0 H LYS A 72 6.939 -2.328 2.440 1.00 53.00 H new ATOM 0 HA LYS A 72 8.824 -4.058 1.293 1.00 11.50 H new ATOM 0 HB2 LYS A 72 8.551 -3.238 4.219 1.00 13.32 H new ATOM 0 HB3 LYS A 72 9.992 -3.901 3.474 1.00 13.32 H new ATOM 0 HG2 LYS A 72 8.696 -1.214 2.829 1.00 0.42 H new ATOM 0 HG3 LYS A 72 10.195 -1.462 3.704 1.00 0.42 H new ATOM 0 HD2 LYS A 72 11.273 -2.395 1.666 1.00 65.34 H new ATOM 0 HD3 LYS A 72 9.766 -2.275 0.781 1.00 65.34 H new ATOM 0 HE2 LYS A 72 11.395 0.058 1.889 1.00 61.25 H new ATOM 0 HE3 LYS A 72 11.249 -0.393 0.202 1.00 61.25 H new ATOM 0 HZ1 LYS A 72 9.338 0.712 0.025 1.00 34.13 H new ATOM 0 HZ2 LYS A 72 8.678 -0.015 1.410 1.00 34.13 H new ATOM 0 HZ3 LYS A 72 9.647 1.371 1.559 1.00 34.13 H new ATOM 1170 N GLU A 73 6.824 -5.450 3.566 1.00 73.32 N ATOM 1171 CA GLU A 73 6.323 -6.724 4.128 1.00 44.34 C ATOM 1172 C GLU A 73 5.643 -7.569 3.042 1.00 55.54 C ATOM 1173 O GLU A 73 5.933 -8.759 2.907 1.00 14.42 O ATOM 1174 CB GLU A 73 5.326 -6.467 5.296 1.00 4.32 C ATOM 1175 CG GLU A 73 5.867 -5.537 6.399 1.00 71.44 C ATOM 1176 CD GLU A 73 7.259 -5.935 6.928 1.00 72.02 C ATOM 1177 OE1 GLU A 73 7.360 -6.901 7.713 1.00 63.14 O ATOM 1178 OE2 GLU A 73 8.260 -5.272 6.567 1.00 75.41 O ATOM 0 H GLU A 73 6.333 -4.626 3.914 1.00 73.32 H new ATOM 0 HA GLU A 73 7.181 -7.272 4.517 1.00 44.34 H new ATOM 0 HB2 GLU A 73 4.412 -6.035 4.889 1.00 4.32 H new ATOM 0 HB3 GLU A 73 5.055 -7.423 5.744 1.00 4.32 H new ATOM 0 HG2 GLU A 73 5.914 -4.520 6.011 1.00 71.44 H new ATOM 0 HG3 GLU A 73 5.162 -5.529 7.231 1.00 71.44 H new ATOM 1185 N ALA A 74 4.770 -6.912 2.256 1.00 62.21 N ATOM 1186 CA ALA A 74 3.954 -7.560 1.218 1.00 73.43 C ATOM 1187 C ALA A 74 4.838 -8.235 0.158 1.00 2.14 C ATOM 1188 O ALA A 74 4.633 -9.399 -0.168 1.00 70.45 O ATOM 1189 CB ALA A 74 3.008 -6.534 0.564 1.00 62.30 C ATOM 0 H ALA A 74 4.611 -5.907 2.326 1.00 62.21 H new ATOM 0 HA ALA A 74 3.353 -8.336 1.693 1.00 73.43 H new ATOM 0 HB1 ALA A 74 2.410 -7.027 -0.202 1.00 62.30 H new ATOM 0 HB2 ALA A 74 2.349 -6.112 1.323 1.00 62.30 H new ATOM 0 HB3 ALA A 74 3.595 -5.736 0.109 1.00 62.30 H new ATOM 1195 N ILE A 75 5.858 -7.504 -0.325 1.00 21.00 N ATOM 1196 CA ILE A 75 6.705 -7.963 -1.442 1.00 53.12 C ATOM 1197 C ILE A 75 7.691 -9.070 -1.010 1.00 40.15 C ATOM 1198 O ILE A 75 7.988 -9.996 -1.788 1.00 2.21 O ATOM 1199 CB ILE A 75 7.441 -6.775 -2.152 1.00 53.11 C ATOM 1200 CG1 ILE A 75 6.415 -5.660 -2.544 1.00 20.50 C ATOM 1201 CG2 ILE A 75 8.191 -7.273 -3.417 1.00 2.10 C ATOM 1202 CD1 ILE A 75 7.041 -4.327 -2.896 1.00 45.10 C ATOM 0 H ILE A 75 6.117 -6.588 0.042 1.00 21.00 H new ATOM 0 HA ILE A 75 6.033 -8.406 -2.177 1.00 53.12 H new ATOM 0 HB ILE A 75 8.170 -6.359 -1.457 1.00 53.11 H new ATOM 0 HG12 ILE A 75 5.827 -6.007 -3.394 1.00 20.50 H new ATOM 0 HG13 ILE A 75 5.722 -5.514 -1.716 1.00 20.50 H new ATOM 0 HG21 ILE A 75 8.695 -6.433 -3.895 1.00 2.10 H new ATOM 0 HG22 ILE A 75 8.928 -8.024 -3.131 1.00 2.10 H new ATOM 0 HG23 ILE A 75 7.477 -7.712 -4.114 1.00 2.10 H new ATOM 0 HD11 ILE A 75 6.258 -3.614 -3.155 1.00 45.10 H new ATOM 0 HD12 ILE A 75 7.605 -3.953 -2.041 1.00 45.10 H new ATOM 0 HD13 ILE A 75 7.712 -4.453 -3.746 1.00 45.10 H new ATOM 1214 N THR A 76 8.159 -9.000 0.240 1.00 24.31 N ATOM 1215 CA THR A 76 9.003 -10.058 0.815 1.00 72.32 C ATOM 1216 C THR A 76 8.150 -11.284 1.214 1.00 54.01 C ATOM 1217 O THR A 76 8.694 -12.369 1.442 1.00 1.23 O ATOM 1218 CB THR A 76 9.803 -9.533 2.038 1.00 73.32 C ATOM 1219 OG1 THR A 76 8.885 -9.022 3.017 1.00 11.13 O ATOM 1220 CG2 THR A 76 10.813 -8.432 1.633 1.00 2.23 C ATOM 0 H THR A 76 7.969 -8.224 0.874 1.00 24.31 H new ATOM 0 HA THR A 76 9.716 -10.367 0.051 1.00 72.32 H new ATOM 0 HB THR A 76 10.374 -10.362 2.456 1.00 73.32 H new ATOM 0 HG1 THR A 76 8.664 -8.091 2.804 1.00 11.13 H new ATOM 0 HG21 THR A 76 11.353 -8.091 2.516 1.00 2.23 H new ATOM 0 HG22 THR A 76 11.521 -8.836 0.909 1.00 2.23 H new ATOM 0 HG23 THR A 76 10.278 -7.593 1.188 1.00 2.23 H new ATOM 1228 N ALA A 77 6.811 -11.098 1.295 1.00 31.34 N ATOM 1229 CA ALA A 77 5.855 -12.186 1.569 1.00 34.21 C ATOM 1230 C ALA A 77 5.376 -12.857 0.270 1.00 43.52 C ATOM 1231 O ALA A 77 4.845 -13.969 0.332 1.00 14.52 O ATOM 1232 CB ALA A 77 4.656 -11.655 2.374 1.00 60.14 C ATOM 0 H ALA A 77 6.368 -10.188 1.172 1.00 31.34 H new ATOM 0 HA ALA A 77 6.371 -12.942 2.161 1.00 34.21 H new ATOM 0 HB1 ALA A 77 3.959 -12.470 2.569 1.00 60.14 H new ATOM 0 HB2 ALA A 77 5.007 -11.244 3.321 1.00 60.14 H new ATOM 0 HB3 ALA A 77 4.152 -10.875 1.804 1.00 60.14 H new ATOM 1238 N ILE A 78 5.551 -12.174 -0.891 1.00 35.02 N ATOM 1239 CA ILE A 78 5.239 -12.758 -2.223 1.00 55.04 C ATOM 1240 C ILE A 78 6.154 -13.985 -2.441 1.00 62.53 C ATOM 1241 O ILE A 78 7.382 -13.797 -2.505 1.00 22.53 O ATOM 1242 CB ILE A 78 5.475 -11.750 -3.421 1.00 22.01 C ATOM 1243 CG1 ILE A 78 4.718 -10.413 -3.210 1.00 3.13 C ATOM 1244 CG2 ILE A 78 5.064 -12.393 -4.779 1.00 33.31 C ATOM 1245 CD1 ILE A 78 5.044 -9.328 -4.232 1.00 33.41 C ATOM 0 H ILE A 78 5.906 -11.219 -0.932 1.00 35.02 H new ATOM 0 HA ILE A 78 4.181 -13.020 -2.221 1.00 55.04 H new ATOM 0 HB ILE A 78 6.542 -11.528 -3.446 1.00 22.01 H new ATOM 0 HG12 ILE A 78 3.646 -10.610 -3.238 1.00 3.13 H new ATOM 0 HG13 ILE A 78 4.947 -10.035 -2.214 1.00 3.13 H new ATOM 0 HG21 ILE A 78 5.236 -11.680 -5.586 1.00 33.31 H new ATOM 0 HG22 ILE A 78 5.660 -13.289 -4.953 1.00 33.31 H new ATOM 0 HG23 ILE A 78 4.008 -12.661 -4.750 1.00 33.31 H new ATOM 0 HD11 ILE A 78 4.469 -8.430 -4.006 1.00 33.41 H new ATOM 0 HD12 ILE A 78 6.108 -9.097 -4.191 1.00 33.41 H new ATOM 0 HD13 ILE A 78 4.788 -9.681 -5.231 1.00 33.41 H new ATOM 1369 N GLU A 86 8.140 -7.163 -10.401 1.00 40.13 N ATOM 1370 CA GLU A 86 7.312 -6.029 -10.862 1.00 72.31 C ATOM 1371 C GLU A 86 6.740 -5.260 -9.650 1.00 42.03 C ATOM 1372 O GLU A 86 6.654 -4.028 -9.667 1.00 41.31 O ATOM 1373 CB GLU A 86 6.171 -6.526 -11.801 1.00 55.23 C ATOM 1374 CG GLU A 86 5.131 -7.452 -11.131 1.00 35.41 C ATOM 1375 CD GLU A 86 4.012 -7.913 -12.076 1.00 43.03 C ATOM 1376 OE1 GLU A 86 3.007 -7.185 -12.227 1.00 52.43 O ATOM 1377 OE2 GLU A 86 4.145 -9.001 -12.683 1.00 23.04 O ATOM 0 HA GLU A 86 7.940 -5.347 -11.435 1.00 72.31 H new ATOM 0 HB2 GLU A 86 5.653 -5.658 -12.209 1.00 55.23 H new ATOM 0 HB3 GLU A 86 6.618 -7.055 -12.642 1.00 55.23 H new ATOM 0 HG2 GLU A 86 5.642 -8.329 -10.733 1.00 35.41 H new ATOM 0 HG3 GLU A 86 4.686 -6.930 -10.284 1.00 35.41 H new ATOM 1384 N ALA A 87 6.400 -6.014 -8.578 1.00 34.25 N ATOM 1385 CA ALA A 87 5.875 -5.443 -7.341 1.00 65.00 C ATOM 1386 C ALA A 87 6.985 -4.743 -6.548 1.00 11.15 C ATOM 1387 O ALA A 87 6.726 -3.731 -5.896 1.00 51.11 O ATOM 1388 CB ALA A 87 5.197 -6.522 -6.491 1.00 65.43 C ATOM 0 H ALA A 87 6.486 -7.030 -8.558 1.00 34.25 H new ATOM 0 HA ALA A 87 5.126 -4.696 -7.604 1.00 65.00 H new ATOM 0 HB1 ALA A 87 4.813 -6.075 -5.574 1.00 65.43 H new ATOM 0 HB2 ALA A 87 4.373 -6.963 -7.052 1.00 65.43 H new ATOM 0 HB3 ALA A 87 5.922 -7.297 -6.241 1.00 65.43 H new ATOM 1394 N LYS A 88 8.223 -5.286 -6.641 1.00 62.41 N ATOM 1395 CA LYS A 88 9.407 -4.757 -5.932 1.00 20.52 C ATOM 1396 C LYS A 88 9.690 -3.310 -6.360 1.00 54.32 C ATOM 1397 O LYS A 88 10.052 -2.476 -5.530 1.00 25.32 O ATOM 1398 CB LYS A 88 10.663 -5.648 -6.191 1.00 63.42 C ATOM 1399 CG LYS A 88 11.968 -5.198 -5.481 1.00 74.04 C ATOM 1400 CD LYS A 88 11.900 -5.235 -3.934 1.00 32.21 C ATOM 1401 CE LYS A 88 11.660 -6.646 -3.365 1.00 3.14 C ATOM 1402 NZ LYS A 88 12.701 -7.618 -3.782 1.00 72.54 N ATOM 0 H LYS A 88 8.426 -6.106 -7.213 1.00 62.41 H new ATOM 0 HA LYS A 88 9.190 -4.773 -4.864 1.00 20.52 H new ATOM 0 HB2 LYS A 88 10.434 -6.666 -5.877 1.00 63.42 H new ATOM 0 HB3 LYS A 88 10.848 -5.679 -7.265 1.00 63.42 H new ATOM 0 HG2 LYS A 88 12.786 -5.837 -5.812 1.00 74.04 H new ATOM 0 HG3 LYS A 88 12.208 -4.183 -5.798 1.00 74.04 H new ATOM 0 HD2 LYS A 88 12.831 -4.841 -3.527 1.00 32.21 H new ATOM 0 HD3 LYS A 88 11.101 -4.575 -3.597 1.00 32.21 H new ATOM 0 HE2 LYS A 88 11.633 -6.594 -2.277 1.00 3.14 H new ATOM 0 HE3 LYS A 88 10.684 -7.004 -3.692 1.00 3.14 H new ATOM 0 HZ1 LYS A 88 12.548 -8.522 -3.291 1.00 72.54 H new ATOM 0 HZ2 LYS A 88 12.644 -7.768 -4.810 1.00 72.54 H new ATOM 0 HZ3 LYS A 88 13.641 -7.246 -3.538 1.00 72.54 H new ATOM 1416 N GLU A 89 9.481 -3.040 -7.668 1.00 21.21 N ATOM 1417 CA GLU A 89 9.669 -1.706 -8.284 1.00 13.22 C ATOM 1418 C GLU A 89 8.844 -0.613 -7.562 1.00 42.34 C ATOM 1419 O GLU A 89 9.255 0.552 -7.480 1.00 24.21 O ATOM 1420 CB GLU A 89 9.254 -1.759 -9.781 1.00 71.04 C ATOM 1421 CG GLU A 89 9.952 -2.857 -10.613 1.00 73.23 C ATOM 1422 CD GLU A 89 11.494 -2.804 -10.560 1.00 74.43 C ATOM 1423 OE1 GLU A 89 12.086 -1.819 -11.061 1.00 13.53 O ATOM 1424 OE2 GLU A 89 12.127 -3.753 -10.032 1.00 3.34 O ATOM 0 H GLU A 89 9.174 -3.749 -8.333 1.00 21.21 H new ATOM 0 HA GLU A 89 10.724 -1.446 -8.192 1.00 13.22 H new ATOM 0 HB2 GLU A 89 8.176 -1.911 -9.839 1.00 71.04 H new ATOM 0 HB3 GLU A 89 9.464 -0.791 -10.235 1.00 71.04 H new ATOM 0 HG2 GLU A 89 9.620 -3.833 -10.258 1.00 73.23 H new ATOM 0 HG3 GLU A 89 9.632 -2.770 -11.651 1.00 73.23 H new ATOM 1431 N MET A 90 7.684 -1.032 -7.036 1.00 41.33 N ATOM 1432 CA MET A 90 6.724 -0.164 -6.338 1.00 1.35 C ATOM 1433 C MET A 90 7.229 0.223 -4.934 1.00 71.31 C ATOM 1434 O MET A 90 6.919 1.316 -4.449 1.00 73.44 O ATOM 1435 CB MET A 90 5.360 -0.875 -6.254 1.00 54.41 C ATOM 1436 CG MET A 90 4.793 -1.288 -7.623 1.00 34.13 C ATOM 1437 SD MET A 90 3.092 -1.881 -7.538 1.00 1.13 S ATOM 1438 CE MET A 90 3.222 -3.156 -6.291 1.00 31.44 C ATOM 0 H MET A 90 7.380 -2.005 -7.085 1.00 41.33 H new ATOM 0 HA MET A 90 6.614 0.761 -6.905 1.00 1.35 H new ATOM 0 HB2 MET A 90 5.461 -1.763 -5.630 1.00 54.41 H new ATOM 0 HB3 MET A 90 4.647 -0.216 -5.759 1.00 54.41 H new ATOM 0 HG2 MET A 90 4.840 -0.436 -8.301 1.00 34.13 H new ATOM 0 HG3 MET A 90 5.422 -2.069 -8.049 1.00 34.13 H new ATOM 0 HE1 MET A 90 2.531 -3.966 -6.525 1.00 31.44 H new ATOM 0 HE2 MET A 90 4.241 -3.543 -6.271 1.00 31.44 H new ATOM 0 HE3 MET A 90 2.974 -2.738 -5.316 1.00 31.44 H new ATOM 1448 N ALA A 91 7.983 -0.696 -4.283 1.00 22.31 N ATOM 1449 CA ALA A 91 8.645 -0.422 -2.990 1.00 34.32 C ATOM 1450 C ALA A 91 9.624 0.751 -3.133 1.00 51.23 C ATOM 1451 O ALA A 91 9.692 1.606 -2.255 1.00 13.44 O ATOM 1452 CB ALA A 91 9.389 -1.665 -2.459 1.00 21.43 C ATOM 0 H ALA A 91 8.147 -1.638 -4.638 1.00 22.31 H new ATOM 0 HA ALA A 91 7.869 -0.161 -2.270 1.00 34.32 H new ATOM 0 HB1 ALA A 91 9.863 -1.426 -1.507 1.00 21.43 H new ATOM 0 HB2 ALA A 91 8.680 -2.480 -2.316 1.00 21.43 H new ATOM 0 HB3 ALA A 91 10.150 -1.968 -3.178 1.00 21.43 H new ATOM 1458 N LYS A 92 10.358 0.775 -4.282 1.00 22.21 N ATOM 1459 CA LYS A 92 11.320 1.854 -4.612 1.00 5.21 C ATOM 1460 C LYS A 92 10.579 3.189 -4.787 1.00 32.34 C ATOM 1461 O LYS A 92 11.050 4.214 -4.310 1.00 11.31 O ATOM 1462 CB LYS A 92 12.157 1.542 -5.897 1.00 43.02 C ATOM 1463 CG LYS A 92 13.284 0.492 -5.717 1.00 51.42 C ATOM 1464 CD LYS A 92 12.766 -0.946 -5.491 1.00 43.44 C ATOM 1465 CE LYS A 92 13.888 -1.964 -5.223 1.00 41.53 C ATOM 1466 NZ LYS A 92 14.829 -2.090 -6.365 1.00 0.04 N ATOM 0 H LYS A 92 10.296 0.050 -4.997 1.00 22.21 H new ATOM 0 HA LYS A 92 12.018 1.922 -3.778 1.00 5.21 H new ATOM 0 HB2 LYS A 92 11.479 1.193 -6.676 1.00 43.02 H new ATOM 0 HB3 LYS A 92 12.602 2.470 -6.255 1.00 43.02 H new ATOM 0 HG2 LYS A 92 13.923 0.503 -6.600 1.00 51.42 H new ATOM 0 HG3 LYS A 92 13.906 0.782 -4.870 1.00 51.42 H new ATOM 0 HD2 LYS A 92 12.075 -0.947 -4.648 1.00 43.44 H new ATOM 0 HD3 LYS A 92 12.200 -1.262 -6.367 1.00 43.44 H new ATOM 0 HE2 LYS A 92 14.441 -1.664 -4.333 1.00 41.53 H new ATOM 0 HE3 LYS A 92 13.447 -2.938 -5.011 1.00 41.53 H new ATOM 0 HZ1 LYS A 92 15.545 -2.812 -6.147 1.00 0.04 H new ATOM 0 HZ2 LYS A 92 14.304 -2.370 -7.218 1.00 0.04 H new ATOM 0 HZ3 LYS A 92 15.298 -1.177 -6.531 1.00 0.04 H new ATOM 1480 N LYS A 93 9.408 3.134 -5.472 1.00 14.51 N ATOM 1481 CA LYS A 93 8.528 4.308 -5.712 1.00 20.15 C ATOM 1482 C LYS A 93 8.054 4.943 -4.405 1.00 71.43 C ATOM 1483 O LYS A 93 8.044 6.167 -4.270 1.00 42.43 O ATOM 1484 CB LYS A 93 7.297 3.890 -6.562 1.00 14.11 C ATOM 1485 CG LYS A 93 7.577 3.783 -8.069 1.00 3.05 C ATOM 1486 CD LYS A 93 7.726 5.179 -8.727 1.00 5.31 C ATOM 1487 CE LYS A 93 8.041 5.096 -10.226 1.00 11.33 C ATOM 1488 NZ LYS A 93 6.966 4.403 -10.979 1.00 40.44 N ATOM 0 H LYS A 93 9.046 2.270 -5.875 1.00 14.51 H new ATOM 0 HA LYS A 93 9.116 5.049 -6.253 1.00 20.15 H new ATOM 0 HB2 LYS A 93 6.932 2.928 -6.203 1.00 14.11 H new ATOM 0 HB3 LYS A 93 6.498 4.614 -6.403 1.00 14.11 H new ATOM 0 HG2 LYS A 93 8.488 3.206 -8.229 1.00 3.05 H new ATOM 0 HG3 LYS A 93 6.766 3.238 -8.552 1.00 3.05 H new ATOM 0 HD2 LYS A 93 6.805 5.744 -8.584 1.00 5.31 H new ATOM 0 HD3 LYS A 93 8.519 5.731 -8.223 1.00 5.31 H new ATOM 0 HE2 LYS A 93 8.174 6.101 -10.625 1.00 11.33 H new ATOM 0 HE3 LYS A 93 8.984 4.568 -10.370 1.00 11.33 H new ATOM 0 HZ1 LYS A 93 7.148 4.486 -12.000 1.00 40.44 H new ATOM 0 HZ2 LYS A 93 6.947 3.398 -10.711 1.00 40.44 H new ATOM 0 HZ3 LYS A 93 6.049 4.839 -10.755 1.00 40.44 H new ATOM 1502 N ALA A 94 7.646 4.074 -3.470 1.00 70.55 N ATOM 1503 CA ALA A 94 7.204 4.464 -2.126 1.00 61.20 C ATOM 1504 C ALA A 94 8.322 5.185 -1.365 1.00 70.00 C ATOM 1505 O ALA A 94 8.059 6.131 -0.621 1.00 32.54 O ATOM 1506 CB ALA A 94 6.717 3.228 -1.362 1.00 31.13 C ATOM 0 H ALA A 94 7.614 3.067 -3.629 1.00 70.55 H new ATOM 0 HA ALA A 94 6.374 5.165 -2.218 1.00 61.20 H new ATOM 0 HB1 ALA A 94 6.390 3.522 -0.365 1.00 31.13 H new ATOM 0 HB2 ALA A 94 5.884 2.774 -1.898 1.00 31.13 H new ATOM 0 HB3 ALA A 94 7.531 2.508 -1.279 1.00 31.13 H new ATOM 1512 N GLU A 95 9.566 4.734 -1.601 1.00 14.42 N ATOM 1513 CA GLU A 95 10.766 5.336 -1.019 1.00 64.12 C ATOM 1514 C GLU A 95 11.120 6.659 -1.721 1.00 43.45 C ATOM 1515 O GLU A 95 11.635 7.557 -1.078 1.00 4.42 O ATOM 1516 CB GLU A 95 11.957 4.352 -1.105 1.00 31.34 C ATOM 1517 CG GLU A 95 11.763 3.021 -0.353 1.00 15.25 C ATOM 1518 CD GLU A 95 11.515 3.215 1.145 1.00 53.34 C ATOM 1519 OE1 GLU A 95 12.502 3.351 1.894 1.00 73.13 O ATOM 1520 OE2 GLU A 95 10.339 3.236 1.577 1.00 54.43 O ATOM 0 H GLU A 95 9.763 3.936 -2.205 1.00 14.42 H new ATOM 0 HA GLU A 95 10.559 5.552 0.029 1.00 64.12 H new ATOM 0 HB2 GLU A 95 12.152 4.133 -2.155 1.00 31.34 H new ATOM 0 HB3 GLU A 95 12.846 4.847 -0.713 1.00 31.34 H new ATOM 0 HG2 GLU A 95 10.922 2.482 -0.789 1.00 15.25 H new ATOM 0 HG3 GLU A 95 12.647 2.398 -0.492 1.00 15.25 H new ATOM 1527 N GLU A 96 10.835 6.771 -3.039 1.00 1.44 N ATOM 1528 CA GLU A 96 11.094 8.013 -3.805 1.00 44.23 C ATOM 1529 C GLU A 96 10.238 9.153 -3.236 1.00 41.41 C ATOM 1530 O GLU A 96 10.748 10.228 -2.920 1.00 72.42 O ATOM 1531 CB GLU A 96 10.762 7.839 -5.325 1.00 23.24 C ATOM 1532 CG GLU A 96 11.592 6.786 -6.084 1.00 42.32 C ATOM 1533 CD GLU A 96 13.090 7.114 -6.146 1.00 54.11 C ATOM 1534 OE1 GLU A 96 13.456 8.135 -6.770 1.00 5.35 O ATOM 1535 OE2 GLU A 96 13.910 6.381 -5.555 1.00 72.21 O ATOM 0 H GLU A 96 10.427 6.018 -3.593 1.00 1.44 H new ATOM 0 HA GLU A 96 12.155 8.245 -3.711 1.00 44.23 H new ATOM 0 HB2 GLU A 96 9.708 7.577 -5.418 1.00 23.24 H new ATOM 0 HB3 GLU A 96 10.896 8.802 -5.818 1.00 23.24 H new ATOM 0 HG2 GLU A 96 11.460 5.816 -5.604 1.00 42.32 H new ATOM 0 HG3 GLU A 96 11.206 6.694 -7.099 1.00 42.32 H new ATOM 1542 N TRP A 97 8.936 8.867 -3.080 1.00 2.32 N ATOM 1543 CA TRP A 97 7.956 9.825 -2.560 1.00 31.44 C ATOM 1544 C TRP A 97 8.276 10.185 -1.105 1.00 70.33 C ATOM 1545 O TRP A 97 8.300 11.357 -0.755 1.00 1.31 O ATOM 1546 CB TRP A 97 6.523 9.253 -2.680 1.00 22.51 C ATOM 1547 CG TRP A 97 6.111 8.933 -4.099 1.00 25.44 C ATOM 1548 CD1 TRP A 97 6.458 9.613 -5.235 1.00 63.02 C ATOM 1549 CD2 TRP A 97 5.257 7.867 -4.527 1.00 0.34 C ATOM 1550 NE1 TRP A 97 5.901 9.015 -6.333 1.00 62.24 N ATOM 1551 CE2 TRP A 97 5.156 7.951 -5.927 1.00 23.42 C ATOM 1552 CE3 TRP A 97 4.573 6.855 -3.861 1.00 74.25 C ATOM 1553 CZ2 TRP A 97 4.404 7.061 -6.671 1.00 74.15 C ATOM 1554 CZ3 TRP A 97 3.824 5.967 -4.599 1.00 13.20 C ATOM 1555 CH2 TRP A 97 3.751 6.078 -5.992 1.00 11.03 C ATOM 0 H TRP A 97 8.534 7.959 -3.313 1.00 2.32 H new ATOM 0 HA TRP A 97 8.012 10.735 -3.157 1.00 31.44 H new ATOM 0 HB2 TRP A 97 6.452 8.347 -2.078 1.00 22.51 H new ATOM 0 HB3 TRP A 97 5.819 9.971 -2.260 1.00 22.51 H new ATOM 0 HD1 TRP A 97 7.081 10.494 -5.261 1.00 63.02 H new ATOM 0 HE1 TRP A 97 6.024 9.318 -7.299 1.00 62.24 H new ATOM 0 HE3 TRP A 97 4.629 6.768 -2.786 1.00 74.25 H new ATOM 0 HZ2 TRP A 97 4.337 7.142 -7.746 1.00 74.15 H new ATOM 0 HZ3 TRP A 97 3.287 5.176 -4.097 1.00 13.20 H new ATOM 0 HH2 TRP A 97 3.159 5.363 -6.545 1.00 11.03 H new ATOM 1566 N LEU A 98 8.573 9.151 -0.294 1.00 71.42 N ATOM 1567 CA LEU A 98 8.857 9.299 1.146 1.00 52.33 C ATOM 1568 C LEU A 98 10.112 10.164 1.398 1.00 25.25 C ATOM 1569 O LEU A 98 10.070 11.082 2.210 1.00 71.12 O ATOM 1570 CB LEU A 98 9.037 7.906 1.791 1.00 64.30 C ATOM 1571 CG LEU A 98 9.245 7.892 3.337 1.00 3.12 C ATOM 1572 CD1 LEU A 98 8.000 8.438 4.081 1.00 70.21 C ATOM 1573 CD2 LEU A 98 9.636 6.479 3.815 1.00 13.01 C ATOM 0 H LEU A 98 8.623 8.186 -0.621 1.00 71.42 H new ATOM 0 HA LEU A 98 8.008 9.808 1.602 1.00 52.33 H new ATOM 0 HB2 LEU A 98 8.160 7.303 1.556 1.00 64.30 H new ATOM 0 HB3 LEU A 98 9.893 7.419 1.324 1.00 64.30 H new ATOM 0 HG LEU A 98 10.070 8.562 3.580 1.00 3.12 H new ATOM 0 HD11 LEU A 98 8.179 8.414 5.156 1.00 70.21 H new ATOM 0 HD12 LEU A 98 7.810 9.464 3.767 1.00 70.21 H new ATOM 0 HD13 LEU A 98 7.134 7.820 3.844 1.00 70.21 H new ATOM 0 HD21 LEU A 98 9.777 6.487 4.896 1.00 13.01 H new ATOM 0 HD22 LEU A 98 8.844 5.776 3.558 1.00 13.01 H new ATOM 0 HD23 LEU A 98 10.563 6.174 3.330 1.00 13.01 H new ATOM 1585 N GLN A 99 11.215 9.853 0.678 1.00 61.24 N ATOM 1586 CA GLN A 99 12.499 10.587 0.793 1.00 33.45 C ATOM 1587 C GLN A 99 12.363 12.028 0.279 1.00 71.31 C ATOM 1588 O GLN A 99 13.104 12.918 0.708 1.00 13.25 O ATOM 1589 CB GLN A 99 13.635 9.851 0.021 1.00 62.34 C ATOM 1590 CG GLN A 99 14.002 8.467 0.608 1.00 74.50 C ATOM 1591 CD GLN A 99 15.151 7.752 -0.117 1.00 24.43 C ATOM 1592 OE1 GLN A 99 15.338 7.900 -1.322 1.00 11.01 O ATOM 1593 NE2 GLN A 99 15.925 6.957 0.607 1.00 32.45 N ATOM 0 H GLN A 99 11.241 9.089 0.003 1.00 61.24 H new ATOM 0 HA GLN A 99 12.761 10.621 1.850 1.00 33.45 H new ATOM 0 HB2 GLN A 99 13.331 9.724 -1.018 1.00 62.34 H new ATOM 0 HB3 GLN A 99 14.525 10.480 0.018 1.00 62.34 H new ATOM 0 HG2 GLN A 99 14.272 8.591 1.657 1.00 74.50 H new ATOM 0 HG3 GLN A 99 13.119 7.829 0.580 1.00 74.50 H new ATOM 0 HE21 GLN A 99 15.752 6.849 1.606 1.00 32.45 H new ATOM 0 HE22 GLN A 99 16.694 6.453 0.165 1.00 32.45 H new ATOM 1602 N ALA A 100 11.417 12.237 -0.656 1.00 11.23 N ATOM 1603 CA ALA A 100 11.094 13.567 -1.192 1.00 64.52 C ATOM 1604 C ALA A 100 10.317 14.398 -0.156 1.00 65.05 C ATOM 1605 O ALA A 100 10.520 15.615 -0.049 1.00 10.01 O ATOM 1606 CB ALA A 100 10.305 13.432 -2.500 1.00 71.12 C ATOM 0 H ALA A 100 10.857 11.486 -1.059 1.00 11.23 H new ATOM 0 HA ALA A 100 12.024 14.093 -1.407 1.00 64.52 H new ATOM 0 HB1 ALA A 100 10.071 14.423 -2.888 1.00 71.12 H new ATOM 0 HB2 ALA A 100 10.903 12.888 -3.231 1.00 71.12 H new ATOM 0 HB3 ALA A 100 9.379 12.888 -2.312 1.00 71.12 H new ATOM 1612 N GLU A 101 9.436 13.721 0.604 1.00 14.31 N ATOM 1613 CA GLU A 101 8.653 14.349 1.683 1.00 44.31 C ATOM 1614 C GLU A 101 9.545 14.689 2.892 1.00 1.43 C ATOM 1615 O GLU A 101 9.345 15.717 3.551 1.00 44.13 O ATOM 1616 CB GLU A 101 7.497 13.411 2.121 1.00 34.23 C ATOM 1617 CG GLU A 101 6.430 13.142 1.043 1.00 41.24 C ATOM 1618 CD GLU A 101 5.763 14.413 0.508 1.00 11.51 C ATOM 1619 OE1 GLU A 101 4.991 15.046 1.259 1.00 44.42 O ATOM 1620 OE2 GLU A 101 6.015 14.802 -0.655 1.00 1.35 O ATOM 0 H GLU A 101 9.248 12.725 0.487 1.00 14.31 H new ATOM 0 HA GLU A 101 8.234 15.279 1.299 1.00 44.31 H new ATOM 0 HB2 GLU A 101 7.922 12.458 2.435 1.00 34.23 H new ATOM 0 HB3 GLU A 101 7.008 13.845 2.993 1.00 34.23 H new ATOM 0 HG2 GLU A 101 6.891 12.607 0.213 1.00 41.24 H new ATOM 0 HG3 GLU A 101 5.664 12.487 1.458 1.00 41.24 H new