USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 TYR OH : rot 0:sc= -0.626 USER MOD Set 2.2: A 70 SER OG : rot 80:sc= 0.304 USER MOD Single : A 24 MET CE :methyl 159:sc= -0.136 (180deg=-0.72) USER MOD Single : A 30 ASN : amide:sc= -0.743 K(o=-0.74,f=-1.4) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0.00591 (180deg=0) USER MOD Single : A 38 MET CE :methyl -144:sc= -0.707 (180deg=-1.66) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.0115 K(o=0.012,f=-1.3) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 0.653 (180deg=0.581) USER MOD Single : A 76 THR OG1 : rot 7:sc= -0.0652 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -152:sc= -0.29 (180deg=-0.833) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -9.919 9.023 0.554 1.00 4.32 N ATOM 369 CA MET A 24 -9.422 7.733 0.032 1.00 31.33 C ATOM 370 C MET A 24 -7.892 7.589 0.202 1.00 33.02 C ATOM 371 O MET A 24 -7.228 8.450 0.785 1.00 53.33 O ATOM 372 CB MET A 24 -9.836 7.549 -1.452 1.00 0.13 C ATOM 373 CG MET A 24 -11.315 7.194 -1.667 1.00 40.15 C ATOM 374 SD MET A 24 -12.460 8.502 -1.204 1.00 52.24 S ATOM 375 CE MET A 24 -11.926 9.822 -2.276 1.00 5.55 C ATOM 0 HA MET A 24 -9.884 6.942 0.622 1.00 31.33 H new ATOM 0 HB2 MET A 24 -9.615 8.469 -1.993 1.00 0.13 H new ATOM 0 HB3 MET A 24 -9.220 6.764 -1.892 1.00 0.13 H new ATOM 0 HG2 MET A 24 -11.469 6.946 -2.717 1.00 40.15 H new ATOM 0 HG3 MET A 24 -11.550 6.299 -1.091 1.00 40.15 H new ATOM 0 HE1 MET A 24 -12.731 10.548 -2.388 1.00 5.55 H new ATOM 0 HE2 MET A 24 -11.054 10.312 -1.843 1.00 5.55 H new ATOM 0 HE3 MET A 24 -11.666 9.415 -3.253 1.00 5.55 H new ATOM 385 N GLY A 25 -7.354 6.466 -0.313 1.00 64.15 N ATOM 386 CA GLY A 25 -5.962 6.070 -0.098 1.00 41.24 C ATOM 387 C GLY A 25 -5.859 5.154 1.104 1.00 50.01 C ATOM 388 O GLY A 25 -5.402 4.012 0.989 1.00 2.44 O ATOM 0 H GLY A 25 -7.881 5.811 -0.891 1.00 64.15 H new ATOM 0 HA2 GLY A 25 -5.579 5.564 -0.984 1.00 41.24 H new ATOM 0 HA3 GLY A 25 -5.344 6.955 0.056 1.00 41.24 H new ATOM 392 N ARG A 26 -6.351 5.660 2.255 1.00 31.12 N ATOM 393 CA ARG A 26 -6.383 4.915 3.523 1.00 44.42 C ATOM 394 C ARG A 26 -7.167 3.606 3.373 1.00 24.12 C ATOM 395 O ARG A 26 -6.792 2.592 3.960 1.00 41.55 O ATOM 396 CB ARG A 26 -6.991 5.792 4.651 1.00 41.33 C ATOM 397 CG ARG A 26 -6.935 5.160 6.065 1.00 10.20 C ATOM 398 CD ARG A 26 -7.647 6.020 7.120 1.00 21.24 C ATOM 399 NE ARG A 26 -7.063 7.369 7.236 1.00 14.40 N ATOM 400 CZ ARG A 26 -7.716 8.463 7.669 1.00 12.34 C ATOM 401 NH1 ARG A 26 -8.994 8.389 8.044 1.00 10.10 N ATOM 402 NH2 ARG A 26 -7.086 9.626 7.721 1.00 51.23 N ATOM 0 H ARG A 26 -6.738 6.601 2.327 1.00 31.12 H new ATOM 0 HA ARG A 26 -5.358 4.662 3.794 1.00 44.42 H new ATOM 0 HB2 ARG A 26 -6.465 6.747 4.674 1.00 41.33 H new ATOM 0 HB3 ARG A 26 -8.031 6.007 4.405 1.00 41.33 H new ATOM 0 HG2 ARG A 26 -7.393 4.172 6.036 1.00 10.20 H new ATOM 0 HG3 ARG A 26 -5.894 5.020 6.356 1.00 10.20 H new ATOM 0 HD2 ARG A 26 -8.703 6.105 6.862 1.00 21.24 H new ATOM 0 HD3 ARG A 26 -7.594 5.520 8.087 1.00 21.24 H new ATOM 0 HE ARG A 26 -6.086 7.482 6.966 1.00 14.40 H new ATOM 0 HH11 ARG A 26 -9.486 7.497 8.004 1.00 10.10 H new ATOM 0 HH12 ARG A 26 -9.479 9.225 8.371 1.00 10.10 H new ATOM 0 HH21 ARG A 26 -6.109 9.690 7.433 1.00 51.23 H new ATOM 0 HH22 ARG A 26 -7.577 10.458 8.049 1.00 51.23 H new ATOM 416 N ALA A 27 -8.233 3.643 2.539 1.00 72.22 N ATOM 417 CA ALA A 27 -9.072 2.473 2.262 1.00 51.32 C ATOM 418 C ALA A 27 -8.243 1.367 1.615 1.00 13.21 C ATOM 419 O ALA A 27 -8.174 0.278 2.162 1.00 35.43 O ATOM 420 CB ALA A 27 -10.276 2.840 1.383 1.00 55.12 C ATOM 0 H ALA A 27 -8.527 4.486 2.045 1.00 72.22 H new ATOM 0 HA ALA A 27 -9.461 2.106 3.212 1.00 51.32 H new ATOM 0 HB1 ALA A 27 -10.876 1.949 1.198 1.00 55.12 H new ATOM 0 HB2 ALA A 27 -10.884 3.588 1.892 1.00 55.12 H new ATOM 0 HB3 ALA A 27 -9.924 3.244 0.434 1.00 55.12 H new ATOM 426 N LEU A 28 -7.541 1.686 0.496 1.00 5.11 N ATOM 427 CA LEU A 28 -6.723 0.687 -0.225 1.00 13.41 C ATOM 428 C LEU A 28 -5.645 0.066 0.695 1.00 55.43 C ATOM 429 O LEU A 28 -5.364 -1.127 0.605 1.00 62.33 O ATOM 430 CB LEU A 28 -6.065 1.271 -1.503 1.00 53.34 C ATOM 431 CG LEU A 28 -6.983 1.386 -2.757 1.00 71.14 C ATOM 432 CD1 LEU A 28 -6.235 2.029 -3.933 1.00 23.14 C ATOM 433 CD2 LEU A 28 -7.581 0.024 -3.161 1.00 15.35 C ATOM 0 H LEU A 28 -7.527 2.618 0.081 1.00 5.11 H new ATOM 0 HA LEU A 28 -7.410 -0.100 -0.538 1.00 13.41 H new ATOM 0 HB2 LEU A 28 -5.680 2.263 -1.268 1.00 53.34 H new ATOM 0 HB3 LEU A 28 -5.208 0.650 -1.762 1.00 53.34 H new ATOM 0 HG LEU A 28 -7.815 2.037 -2.487 1.00 71.14 H new ATOM 0 HD11 LEU A 28 -6.900 2.096 -4.794 1.00 23.14 H new ATOM 0 HD12 LEU A 28 -5.904 3.029 -3.651 1.00 23.14 H new ATOM 0 HD13 LEU A 28 -5.369 1.419 -4.190 1.00 23.14 H new ATOM 0 HD21 LEU A 28 -8.214 0.151 -4.039 1.00 15.35 H new ATOM 0 HD22 LEU A 28 -6.775 -0.673 -3.392 1.00 15.35 H new ATOM 0 HD23 LEU A 28 -8.177 -0.370 -2.338 1.00 15.35 H new ATOM 445 N TYR A 29 -5.080 0.893 1.598 1.00 53.44 N ATOM 446 CA TYR A 29 -4.097 0.446 2.600 1.00 43.21 C ATOM 447 C TYR A 29 -4.721 -0.627 3.543 1.00 71.52 C ATOM 448 O TYR A 29 -4.178 -1.727 3.678 1.00 34.13 O ATOM 449 CB TYR A 29 -3.554 1.662 3.420 1.00 14.13 C ATOM 450 CG TYR A 29 -2.696 1.242 4.624 1.00 5.21 C ATOM 451 CD1 TYR A 29 -1.421 0.702 4.443 1.00 62.50 C ATOM 452 CD2 TYR A 29 -3.196 1.307 5.933 1.00 31.10 C ATOM 453 CE1 TYR A 29 -0.680 0.263 5.514 1.00 62.51 C ATOM 454 CE2 TYR A 29 -2.456 0.849 7.002 1.00 1.03 C ATOM 455 CZ TYR A 29 -1.200 0.330 6.785 1.00 61.01 C ATOM 456 OH TYR A 29 -0.471 -0.159 7.843 1.00 73.04 O ATOM 0 H TYR A 29 -5.294 1.889 1.651 1.00 53.44 H new ATOM 0 HA TYR A 29 -3.257 -0.012 2.077 1.00 43.21 H new ATOM 0 HB2 TYR A 29 -2.961 2.300 2.764 1.00 14.13 H new ATOM 0 HB3 TYR A 29 -4.395 2.260 3.771 1.00 14.13 H new ATOM 0 HD1 TYR A 29 -1.011 0.628 3.447 1.00 62.50 H new ATOM 0 HD2 TYR A 29 -4.178 1.723 6.106 1.00 31.10 H new ATOM 0 HE1 TYR A 29 0.312 -0.135 5.357 1.00 62.51 H new ATOM 0 HE2 TYR A 29 -2.859 0.897 8.003 1.00 1.03 H new ATOM 0 HH TYR A 29 0.382 -0.515 7.516 1.00 73.04 H new ATOM 466 N ASN A 30 -5.879 -0.291 4.156 1.00 74.53 N ATOM 467 CA ASN A 30 -6.538 -1.143 5.182 1.00 12.30 C ATOM 468 C ASN A 30 -7.031 -2.478 4.592 1.00 12.34 C ATOM 469 O ASN A 30 -6.853 -3.543 5.199 1.00 63.11 O ATOM 470 CB ASN A 30 -7.727 -0.387 5.834 1.00 54.21 C ATOM 471 CG ASN A 30 -7.349 0.939 6.522 1.00 63.33 C ATOM 472 OD1 ASN A 30 -8.139 1.884 6.535 1.00 11.52 O ATOM 473 ND2 ASN A 30 -6.165 1.030 7.124 1.00 61.31 N ATOM 0 H ASN A 30 -6.384 0.573 3.957 1.00 74.53 H new ATOM 0 HA ASN A 30 -5.790 -1.368 5.942 1.00 12.30 H new ATOM 0 HB2 ASN A 30 -8.474 -0.182 5.067 1.00 54.21 H new ATOM 0 HB3 ASN A 30 -8.196 -1.041 6.569 1.00 54.21 H new ATOM 0 HD21 ASN A 30 -5.902 1.891 7.604 1.00 61.31 H new ATOM 0 HD22 ASN A 30 -5.521 0.239 7.105 1.00 61.31 H new ATOM 480 N ILE A 31 -7.646 -2.389 3.402 1.00 11.30 N ATOM 481 CA ILE A 31 -8.178 -3.552 2.663 1.00 52.41 C ATOM 482 C ILE A 31 -7.005 -4.408 2.138 1.00 63.12 C ATOM 483 O ILE A 31 -7.079 -5.635 2.121 1.00 55.34 O ATOM 484 CB ILE A 31 -9.085 -3.095 1.451 1.00 12.13 C ATOM 485 CG1 ILE A 31 -10.120 -2.019 1.893 1.00 32.43 C ATOM 486 CG2 ILE A 31 -9.817 -4.296 0.806 1.00 33.41 C ATOM 487 CD1 ILE A 31 -10.750 -1.257 0.739 1.00 64.50 C ATOM 0 H ILE A 31 -7.791 -1.502 2.919 1.00 11.30 H new ATOM 0 HA ILE A 31 -8.793 -4.139 3.345 1.00 52.41 H new ATOM 0 HB ILE A 31 -8.422 -2.655 0.706 1.00 12.13 H new ATOM 0 HG12 ILE A 31 -10.909 -2.503 2.469 1.00 32.43 H new ATOM 0 HG13 ILE A 31 -9.629 -1.309 2.559 1.00 32.43 H new ATOM 0 HG21 ILE A 31 -10.431 -3.945 -0.023 1.00 33.41 H new ATOM 0 HG22 ILE A 31 -9.084 -5.013 0.437 1.00 33.41 H new ATOM 0 HG23 ILE A 31 -10.452 -4.777 1.550 1.00 33.41 H new ATOM 0 HD11 ILE A 31 -11.459 -0.527 1.129 1.00 64.50 H new ATOM 0 HD12 ILE A 31 -9.972 -0.742 0.175 1.00 64.50 H new ATOM 0 HD13 ILE A 31 -11.272 -1.955 0.084 1.00 64.50 H new ATOM 499 N GLY A 32 -5.913 -3.717 1.744 1.00 1.24 N ATOM 500 CA GLY A 32 -4.699 -4.361 1.236 1.00 64.31 C ATOM 501 C GLY A 32 -4.055 -5.287 2.255 1.00 22.23 C ATOM 502 O GLY A 32 -3.561 -6.355 1.894 1.00 5.02 O ATOM 0 H GLY A 32 -5.856 -2.699 1.772 1.00 1.24 H new ATOM 0 HA2 GLY A 32 -4.943 -4.929 0.338 1.00 64.31 H new ATOM 0 HA3 GLY A 32 -3.981 -3.594 0.943 1.00 64.31 H new ATOM 506 N LEU A 33 -4.077 -4.866 3.540 1.00 72.24 N ATOM 507 CA LEU A 33 -3.595 -5.686 4.672 1.00 72.31 C ATOM 508 C LEU A 33 -4.379 -7.013 4.758 1.00 0.14 C ATOM 509 O LEU A 33 -3.798 -8.072 5.020 1.00 2.12 O ATOM 510 CB LEU A 33 -3.728 -4.894 6.004 1.00 64.12 C ATOM 511 CG LEU A 33 -2.843 -3.610 6.145 1.00 4.25 C ATOM 512 CD1 LEU A 33 -3.208 -2.830 7.420 1.00 3.41 C ATOM 513 CD2 LEU A 33 -1.334 -3.952 6.124 1.00 54.51 C ATOM 0 H LEU A 33 -4.429 -3.950 3.820 1.00 72.24 H new ATOM 0 HA LEU A 33 -2.544 -5.919 4.504 1.00 72.31 H new ATOM 0 HB2 LEU A 33 -4.772 -4.604 6.126 1.00 64.12 H new ATOM 0 HB3 LEU A 33 -3.486 -5.567 6.827 1.00 64.12 H new ATOM 0 HG LEU A 33 -3.048 -2.975 5.283 1.00 4.25 H new ATOM 0 HD11 LEU A 33 -2.580 -1.942 7.496 1.00 3.41 H new ATOM 0 HD12 LEU A 33 -4.255 -2.531 7.376 1.00 3.41 H new ATOM 0 HD13 LEU A 33 -3.048 -3.463 8.292 1.00 3.41 H new ATOM 0 HD21 LEU A 33 -0.752 -3.036 6.224 1.00 54.51 H new ATOM 0 HD22 LEU A 33 -1.101 -4.622 6.952 1.00 54.51 H new ATOM 0 HD23 LEU A 33 -1.084 -4.439 5.181 1.00 54.51 H new ATOM 525 N GLU A 34 -5.695 -6.931 4.501 1.00 3.52 N ATOM 526 CA GLU A 34 -6.608 -8.086 4.539 1.00 61.14 C ATOM 527 C GLU A 34 -6.296 -9.103 3.419 1.00 41.01 C ATOM 528 O GLU A 34 -6.368 -10.321 3.647 1.00 10.51 O ATOM 529 CB GLU A 34 -8.071 -7.597 4.439 1.00 1.43 C ATOM 530 CG GLU A 34 -8.530 -6.679 5.588 1.00 1.24 C ATOM 531 CD GLU A 34 -8.388 -7.323 6.973 1.00 14.23 C ATOM 532 OE1 GLU A 34 -9.236 -8.166 7.330 1.00 25.22 O ATOM 533 OE2 GLU A 34 -7.420 -7.016 7.702 1.00 61.13 O ATOM 0 H GLU A 34 -6.159 -6.055 4.259 1.00 3.52 H new ATOM 0 HA GLU A 34 -6.463 -8.601 5.489 1.00 61.14 H new ATOM 0 HB2 GLU A 34 -8.197 -7.065 3.496 1.00 1.43 H new ATOM 0 HB3 GLU A 34 -8.727 -8.466 4.404 1.00 1.43 H new ATOM 0 HG2 GLU A 34 -7.948 -5.758 5.562 1.00 1.24 H new ATOM 0 HG3 GLU A 34 -9.572 -6.403 5.429 1.00 1.24 H new ATOM 540 N LYS A 35 -5.952 -8.590 2.217 1.00 50.43 N ATOM 541 CA LYS A 35 -5.480 -9.421 1.086 1.00 44.33 C ATOM 542 C LYS A 35 -4.169 -10.137 1.472 1.00 4.22 C ATOM 543 O LYS A 35 -4.057 -11.363 1.340 1.00 70.41 O ATOM 544 CB LYS A 35 -5.245 -8.551 -0.193 1.00 1.15 C ATOM 545 CG LYS A 35 -6.484 -8.273 -1.079 1.00 32.41 C ATOM 546 CD LYS A 35 -7.620 -7.549 -0.340 1.00 53.33 C ATOM 547 CE LYS A 35 -8.668 -6.946 -1.289 1.00 4.51 C ATOM 548 NZ LYS A 35 -9.374 -7.946 -2.114 1.00 60.42 N ATOM 0 H LYS A 35 -5.993 -7.593 2.004 1.00 50.43 H new ATOM 0 HA LYS A 35 -6.250 -10.160 0.864 1.00 44.33 H new ATOM 0 HB2 LYS A 35 -4.827 -7.594 0.118 1.00 1.15 H new ATOM 0 HB3 LYS A 35 -4.491 -9.044 -0.807 1.00 1.15 H new ATOM 0 HG2 LYS A 35 -6.180 -7.673 -1.937 1.00 32.41 H new ATOM 0 HG3 LYS A 35 -6.861 -9.219 -1.469 1.00 32.41 H new ATOM 0 HD2 LYS A 35 -8.111 -8.250 0.335 1.00 53.33 H new ATOM 0 HD3 LYS A 35 -7.197 -6.755 0.276 1.00 53.33 H new ATOM 0 HE2 LYS A 35 -9.400 -6.392 -0.701 1.00 4.51 H new ATOM 0 HE3 LYS A 35 -8.178 -6.228 -1.946 1.00 4.51 H new ATOM 0 HZ1 LYS A 35 -10.063 -7.466 -2.727 1.00 60.42 H new ATOM 0 HZ2 LYS A 35 -8.686 -8.459 -2.702 1.00 60.42 H new ATOM 0 HZ3 LYS A 35 -9.871 -8.618 -1.495 1.00 60.42 H new ATOM 562 N ASN A 36 -3.220 -9.336 1.997 1.00 52.54 N ATOM 563 CA ASN A 36 -1.861 -9.786 2.363 1.00 51.11 C ATOM 564 C ASN A 36 -1.921 -10.929 3.397 1.00 41.13 C ATOM 565 O ASN A 36 -1.197 -11.916 3.287 1.00 74.52 O ATOM 566 CB ASN A 36 -1.052 -8.574 2.917 1.00 74.44 C ATOM 567 CG ASN A 36 0.445 -8.837 3.100 1.00 14.15 C ATOM 568 OD1 ASN A 36 1.059 -9.606 2.357 1.00 23.14 O ATOM 569 ND2 ASN A 36 1.041 -8.183 4.083 1.00 62.04 N ATOM 0 H ASN A 36 -3.378 -8.345 2.181 1.00 52.54 H new ATOM 0 HA ASN A 36 -1.360 -10.175 1.476 1.00 51.11 H new ATOM 0 HB2 ASN A 36 -1.179 -7.729 2.240 1.00 74.44 H new ATOM 0 HB3 ASN A 36 -1.476 -8.279 3.877 1.00 74.44 H new ATOM 0 HD21 ASN A 36 2.040 -8.307 4.246 1.00 62.04 H new ATOM 0 HD22 ASN A 36 0.501 -7.555 4.678 1.00 62.04 H new ATOM 576 N LYS A 37 -2.861 -10.789 4.346 1.00 50.11 N ATOM 577 CA LYS A 37 -3.112 -11.759 5.431 1.00 40.41 C ATOM 578 C LYS A 37 -3.468 -13.167 4.895 1.00 64.40 C ATOM 579 O LYS A 37 -3.041 -14.176 5.465 1.00 14.20 O ATOM 580 CB LYS A 37 -4.238 -11.194 6.342 1.00 23.11 C ATOM 581 CG LYS A 37 -4.885 -12.202 7.325 1.00 55.50 C ATOM 582 CD LYS A 37 -5.752 -11.527 8.418 1.00 54.12 C ATOM 583 CE LYS A 37 -6.739 -10.469 7.878 1.00 0.40 C ATOM 584 NZ LYS A 37 -7.686 -10.994 6.863 1.00 40.31 N ATOM 0 H LYS A 37 -3.483 -9.981 4.383 1.00 50.11 H new ATOM 0 HA LYS A 37 -2.197 -11.888 6.009 1.00 40.41 H new ATOM 0 HB2 LYS A 37 -3.829 -10.365 6.919 1.00 23.11 H new ATOM 0 HB3 LYS A 37 -5.022 -10.783 5.705 1.00 23.11 H new ATOM 0 HG2 LYS A 37 -5.503 -12.901 6.762 1.00 55.50 H new ATOM 0 HG3 LYS A 37 -4.099 -12.786 7.804 1.00 55.50 H new ATOM 0 HD2 LYS A 37 -6.315 -12.297 8.946 1.00 54.12 H new ATOM 0 HD3 LYS A 37 -5.094 -11.055 9.148 1.00 54.12 H new ATOM 0 HE2 LYS A 37 -7.307 -10.057 8.712 1.00 0.40 H new ATOM 0 HE3 LYS A 37 -6.172 -9.647 7.441 1.00 0.40 H new ATOM 0 HZ1 LYS A 37 -8.430 -10.289 6.684 1.00 40.31 H new ATOM 0 HZ2 LYS A 37 -7.174 -11.189 5.979 1.00 40.31 H new ATOM 0 HZ3 LYS A 37 -8.119 -11.872 7.213 1.00 40.31 H new ATOM 598 N MET A 38 -4.228 -13.218 3.786 1.00 21.04 N ATOM 599 CA MET A 38 -4.663 -14.500 3.171 1.00 35.03 C ATOM 600 C MET A 38 -3.589 -15.080 2.235 1.00 21.31 C ATOM 601 O MET A 38 -3.644 -16.265 1.879 1.00 63.21 O ATOM 602 CB MET A 38 -5.974 -14.295 2.383 1.00 64.45 C ATOM 603 CG MET A 38 -7.143 -13.757 3.210 1.00 51.03 C ATOM 604 SD MET A 38 -8.651 -13.613 2.237 1.00 34.32 S ATOM 605 CE MET A 38 -8.102 -12.551 0.900 1.00 2.45 C ATOM 0 H MET A 38 -4.558 -12.389 3.292 1.00 21.04 H new ATOM 0 HA MET A 38 -4.825 -15.210 3.982 1.00 35.03 H new ATOM 0 HB2 MET A 38 -5.783 -13.607 1.560 1.00 64.45 H new ATOM 0 HB3 MET A 38 -6.268 -15.247 1.941 1.00 64.45 H new ATOM 0 HG2 MET A 38 -7.321 -14.418 4.058 1.00 51.03 H new ATOM 0 HG3 MET A 38 -6.880 -12.781 3.617 1.00 51.03 H new ATOM 0 HE1 MET A 38 -8.911 -11.879 0.614 1.00 2.45 H new ATOM 0 HE2 MET A 38 -7.243 -11.966 1.229 1.00 2.45 H new ATOM 0 HE3 MET A 38 -7.818 -13.162 0.043 1.00 2.45 H new ATOM 615 N GLY A 39 -2.631 -14.230 1.836 1.00 15.14 N ATOM 616 CA GLY A 39 -1.584 -14.616 0.889 1.00 30.41 C ATOM 617 C GLY A 39 -1.791 -14.022 -0.496 1.00 24.21 C ATOM 618 O GLY A 39 -1.102 -14.416 -1.445 1.00 34.22 O ATOM 0 H GLY A 39 -2.563 -13.265 2.159 1.00 15.14 H new ATOM 0 HA2 GLY A 39 -0.616 -14.296 1.275 1.00 30.41 H new ATOM 0 HA3 GLY A 39 -1.553 -15.703 0.812 1.00 30.41 H new ATOM 622 N LYS A 40 -2.745 -13.075 -0.619 1.00 60.21 N ATOM 623 CA LYS A 40 -2.937 -12.288 -1.856 1.00 53.35 C ATOM 624 C LYS A 40 -1.940 -11.103 -1.834 1.00 3.15 C ATOM 625 O LYS A 40 -2.342 -9.944 -1.912 1.00 54.52 O ATOM 626 CB LYS A 40 -4.400 -11.752 -1.959 1.00 1.10 C ATOM 627 CG LYS A 40 -5.523 -12.767 -1.691 1.00 11.25 C ATOM 628 CD LYS A 40 -5.600 -13.904 -2.729 1.00 60.00 C ATOM 629 CE LYS A 40 -6.888 -14.724 -2.582 1.00 1.03 C ATOM 630 NZ LYS A 40 -6.984 -15.797 -3.602 1.00 41.02 N ATOM 0 H LYS A 40 -3.398 -12.836 0.128 1.00 60.21 H new ATOM 0 HA LYS A 40 -2.757 -12.924 -2.723 1.00 53.35 H new ATOM 0 HB2 LYS A 40 -4.511 -10.927 -1.256 1.00 1.10 H new ATOM 0 HB3 LYS A 40 -4.543 -11.341 -2.958 1.00 1.10 H new ATOM 0 HG2 LYS A 40 -5.378 -13.201 -0.702 1.00 11.25 H new ATOM 0 HG3 LYS A 40 -6.477 -12.241 -1.672 1.00 11.25 H new ATOM 0 HD2 LYS A 40 -5.550 -13.483 -3.733 1.00 60.00 H new ATOM 0 HD3 LYS A 40 -4.737 -14.560 -2.615 1.00 60.00 H new ATOM 0 HE2 LYS A 40 -6.924 -15.166 -1.586 1.00 1.03 H new ATOM 0 HE3 LYS A 40 -7.750 -14.063 -2.669 1.00 1.03 H new ATOM 0 HZ1 LYS A 40 -7.869 -16.327 -3.467 1.00 41.02 H new ATOM 0 HZ2 LYS A 40 -6.975 -15.374 -4.552 1.00 41.02 H new ATOM 0 HZ3 LYS A 40 -6.175 -16.443 -3.503 1.00 41.02 H new ATOM 644 N ALA A 41 -0.636 -11.423 -1.715 1.00 74.13 N ATOM 645 CA ALA A 41 0.428 -10.434 -1.450 1.00 44.13 C ATOM 646 C ALA A 41 0.739 -9.581 -2.695 1.00 45.12 C ATOM 647 O ALA A 41 1.182 -8.436 -2.570 1.00 12.42 O ATOM 648 CB ALA A 41 1.680 -11.154 -0.934 1.00 62.44 C ATOM 0 H ALA A 41 -0.290 -12.379 -1.800 1.00 74.13 H new ATOM 0 HA ALA A 41 0.077 -9.744 -0.683 1.00 44.13 H new ATOM 0 HB1 ALA A 41 2.465 -10.424 -0.739 1.00 62.44 H new ATOM 0 HB2 ALA A 41 1.441 -11.685 -0.013 1.00 62.44 H new ATOM 0 HB3 ALA A 41 2.025 -11.866 -1.684 1.00 62.44 H new ATOM 654 N ARG A 42 0.506 -10.165 -3.889 1.00 23.41 N ATOM 655 CA ARG A 42 0.582 -9.449 -5.181 1.00 21.24 C ATOM 656 C ARG A 42 -0.511 -8.368 -5.246 1.00 74.34 C ATOM 657 O ARG A 42 -0.224 -7.189 -5.491 1.00 30.21 O ATOM 658 CB ARG A 42 0.449 -10.471 -6.355 1.00 62.33 C ATOM 659 CG ARG A 42 0.183 -9.878 -7.767 1.00 12.14 C ATOM 660 CD ARG A 42 1.230 -8.840 -8.207 1.00 33.32 C ATOM 661 NE ARG A 42 0.986 -8.378 -9.582 1.00 75.43 N ATOM 662 CZ ARG A 42 1.531 -7.290 -10.143 1.00 21.02 C ATOM 663 NH1 ARG A 42 2.365 -6.520 -9.458 1.00 11.22 N ATOM 664 NH2 ARG A 42 1.258 -7.003 -11.405 1.00 0.04 N ATOM 0 H ARG A 42 0.259 -11.150 -3.985 1.00 23.41 H new ATOM 0 HA ARG A 42 1.548 -8.952 -5.272 1.00 21.24 H new ATOM 0 HB2 ARG A 42 1.365 -11.060 -6.400 1.00 62.33 H new ATOM 0 HB3 ARG A 42 -0.361 -11.160 -6.117 1.00 62.33 H new ATOM 0 HG2 ARG A 42 0.160 -10.690 -8.494 1.00 12.14 H new ATOM 0 HG3 ARG A 42 -0.803 -9.414 -7.777 1.00 12.14 H new ATOM 0 HD2 ARG A 42 1.208 -7.989 -7.527 1.00 33.32 H new ATOM 0 HD3 ARG A 42 2.227 -9.276 -8.140 1.00 33.32 H new ATOM 0 HE ARG A 42 0.350 -8.931 -10.156 1.00 75.43 H new ATOM 0 HH11 ARG A 42 2.598 -6.753 -8.493 1.00 11.22 H new ATOM 0 HH12 ARG A 42 2.773 -5.694 -9.896 1.00 11.22 H new ATOM 0 HH21 ARG A 42 0.637 -7.608 -11.943 1.00 0.04 H new ATOM 0 HH22 ARG A 42 1.668 -6.177 -11.840 1.00 0.04 H new ATOM 678 N GLU A 43 -1.754 -8.800 -4.983 1.00 31.22 N ATOM 679 CA GLU A 43 -2.943 -7.937 -5.015 1.00 74.44 C ATOM 680 C GLU A 43 -2.882 -6.880 -3.901 1.00 62.14 C ATOM 681 O GLU A 43 -3.336 -5.755 -4.082 1.00 20.14 O ATOM 682 CB GLU A 43 -4.211 -8.810 -4.883 1.00 10.42 C ATOM 683 CG GLU A 43 -4.343 -9.877 -5.994 1.00 15.25 C ATOM 684 CD GLU A 43 -5.538 -10.816 -5.796 1.00 34.21 C ATOM 685 OE1 GLU A 43 -6.689 -10.358 -5.928 1.00 34.43 O ATOM 686 OE2 GLU A 43 -5.333 -12.014 -5.508 1.00 44.41 O ATOM 0 H GLU A 43 -1.963 -9.768 -4.740 1.00 31.22 H new ATOM 0 HA GLU A 43 -2.975 -7.406 -5.966 1.00 74.44 H new ATOM 0 HB2 GLU A 43 -4.201 -9.306 -3.913 1.00 10.42 H new ATOM 0 HB3 GLU A 43 -5.090 -8.166 -4.903 1.00 10.42 H new ATOM 0 HG2 GLU A 43 -4.439 -9.377 -6.958 1.00 15.25 H new ATOM 0 HG3 GLU A 43 -3.428 -10.468 -6.031 1.00 15.25 H new ATOM 693 N ALA A 44 -2.263 -7.258 -2.773 1.00 41.45 N ATOM 694 CA ALA A 44 -2.083 -6.380 -1.614 1.00 2.05 C ATOM 695 C ALA A 44 -1.119 -5.243 -1.946 1.00 43.55 C ATOM 696 O ALA A 44 -1.395 -4.083 -1.638 1.00 32.34 O ATOM 697 CB ALA A 44 -1.559 -7.191 -0.429 1.00 10.11 C ATOM 0 H ALA A 44 -1.871 -8.190 -2.641 1.00 41.45 H new ATOM 0 HA ALA A 44 -3.046 -5.944 -1.350 1.00 2.05 H new ATOM 0 HB1 ALA A 44 -1.426 -6.535 0.431 1.00 10.11 H new ATOM 0 HB2 ALA A 44 -2.274 -7.975 -0.180 1.00 10.11 H new ATOM 0 HB3 ALA A 44 -0.602 -7.642 -0.692 1.00 10.11 H new ATOM 703 N ALA A 45 -0.002 -5.608 -2.609 1.00 21.00 N ATOM 704 CA ALA A 45 1.051 -4.664 -3.012 1.00 55.34 C ATOM 705 C ALA A 45 0.496 -3.587 -3.957 1.00 34.44 C ATOM 706 O ALA A 45 0.903 -2.423 -3.879 1.00 54.23 O ATOM 707 CB ALA A 45 2.209 -5.428 -3.669 1.00 73.11 C ATOM 0 H ALA A 45 0.192 -6.572 -2.879 1.00 21.00 H new ATOM 0 HA ALA A 45 1.424 -4.157 -2.123 1.00 55.34 H new ATOM 0 HB1 ALA A 45 2.987 -4.725 -3.966 1.00 73.11 H new ATOM 0 HB2 ALA A 45 2.620 -6.146 -2.959 1.00 73.11 H new ATOM 0 HB3 ALA A 45 1.843 -5.957 -4.549 1.00 73.11 H new ATOM 713 N GLU A 46 -0.447 -3.999 -4.837 1.00 22.13 N ATOM 714 CA GLU A 46 -1.187 -3.086 -5.732 1.00 61.01 C ATOM 715 C GLU A 46 -1.923 -2.013 -4.917 1.00 11.12 C ATOM 716 O GLU A 46 -1.803 -0.820 -5.188 1.00 41.53 O ATOM 717 CB GLU A 46 -2.216 -3.881 -6.578 1.00 43.34 C ATOM 718 CG GLU A 46 -1.604 -4.920 -7.537 1.00 13.23 C ATOM 719 CD GLU A 46 -0.831 -4.289 -8.709 1.00 12.14 C ATOM 720 OE1 GLU A 46 -1.490 -3.806 -9.663 1.00 31.30 O ATOM 721 OE2 GLU A 46 0.419 -4.251 -8.679 1.00 40.43 O ATOM 0 H GLU A 46 -0.715 -4.977 -4.944 1.00 22.13 H new ATOM 0 HA GLU A 46 -0.469 -2.603 -6.394 1.00 61.01 H new ATOM 0 HB2 GLU A 46 -2.902 -4.392 -5.903 1.00 43.34 H new ATOM 0 HB3 GLU A 46 -2.808 -3.175 -7.160 1.00 43.34 H new ATOM 0 HG2 GLU A 46 -0.932 -5.570 -6.976 1.00 13.23 H new ATOM 0 HG3 GLU A 46 -2.400 -5.550 -7.934 1.00 13.23 H new ATOM 728 N TYR A 47 -2.655 -2.479 -3.891 1.00 45.13 N ATOM 729 CA TYR A 47 -3.463 -1.626 -3.004 1.00 51.15 C ATOM 730 C TYR A 47 -2.590 -0.610 -2.250 1.00 11.10 C ATOM 731 O TYR A 47 -2.924 0.571 -2.211 1.00 2.02 O ATOM 732 CB TYR A 47 -4.271 -2.508 -2.008 1.00 71.21 C ATOM 733 CG TYR A 47 -5.536 -3.157 -2.592 1.00 64.32 C ATOM 734 CD1 TYR A 47 -5.519 -3.789 -3.835 1.00 64.43 C ATOM 735 CD2 TYR A 47 -6.753 -3.123 -1.902 1.00 23.42 C ATOM 736 CE1 TYR A 47 -6.648 -4.371 -4.364 1.00 13.12 C ATOM 737 CE2 TYR A 47 -7.885 -3.699 -2.432 1.00 63.11 C ATOM 738 CZ TYR A 47 -7.831 -4.320 -3.664 1.00 21.13 C ATOM 739 OH TYR A 47 -8.961 -4.904 -4.192 1.00 74.23 O ATOM 0 H TYR A 47 -2.703 -3.469 -3.652 1.00 45.13 H new ATOM 0 HA TYR A 47 -4.161 -1.059 -3.620 1.00 51.15 H new ATOM 0 HB2 TYR A 47 -3.618 -3.295 -1.631 1.00 71.21 H new ATOM 0 HB3 TYR A 47 -4.557 -1.895 -1.153 1.00 71.21 H new ATOM 0 HD1 TYR A 47 -4.597 -3.822 -4.396 1.00 64.43 H new ATOM 0 HD2 TYR A 47 -6.805 -2.637 -0.939 1.00 23.42 H new ATOM 0 HE1 TYR A 47 -6.606 -4.865 -5.323 1.00 13.12 H new ATOM 0 HE2 TYR A 47 -8.815 -3.665 -1.884 1.00 63.11 H new ATOM 0 HH TYR A 47 -9.712 -4.781 -3.574 1.00 74.23 H new ATOM 749 N PHE A 48 -1.457 -1.079 -1.690 1.00 13.42 N ATOM 750 CA PHE A 48 -0.526 -0.224 -0.918 1.00 71.41 C ATOM 751 C PHE A 48 0.142 0.838 -1.810 1.00 72.51 C ATOM 752 O PHE A 48 0.462 1.930 -1.337 1.00 43.10 O ATOM 753 CB PHE A 48 0.572 -1.068 -0.229 1.00 4.45 C ATOM 754 CG PHE A 48 0.065 -2.111 0.759 1.00 73.14 C ATOM 755 CD1 PHE A 48 -0.862 -1.771 1.740 1.00 52.54 C ATOM 756 CD2 PHE A 48 0.537 -3.425 0.721 1.00 63.33 C ATOM 757 CE1 PHE A 48 -1.305 -2.712 2.640 1.00 10.11 C ATOM 758 CE2 PHE A 48 0.088 -4.364 1.623 1.00 1.13 C ATOM 759 CZ PHE A 48 -0.828 -4.009 2.582 1.00 25.50 C ATOM 0 H PHE A 48 -1.161 -2.053 -1.758 1.00 13.42 H new ATOM 0 HA PHE A 48 -1.124 0.278 -0.158 1.00 71.41 H new ATOM 0 HB2 PHE A 48 1.156 -1.573 -0.998 1.00 4.45 H new ATOM 0 HB3 PHE A 48 1.250 -0.394 0.295 1.00 4.45 H new ATOM 0 HD1 PHE A 48 -1.237 -0.760 1.795 1.00 52.54 H new ATOM 0 HD2 PHE A 48 1.264 -3.709 -0.026 1.00 63.33 H new ATOM 0 HE1 PHE A 48 -2.028 -2.437 3.394 1.00 10.11 H new ATOM 0 HE2 PHE A 48 0.456 -5.378 1.576 1.00 1.13 H new ATOM 0 HZ PHE A 48 -1.177 -4.744 3.292 1.00 25.50 H new ATOM 769 N PHE A 49 0.352 0.487 -3.094 1.00 30.32 N ATOM 770 CA PHE A 49 0.990 1.369 -4.082 1.00 33.51 C ATOM 771 C PHE A 49 0.060 2.521 -4.475 1.00 25.31 C ATOM 772 O PHE A 49 0.450 3.686 -4.430 1.00 61.32 O ATOM 773 CB PHE A 49 1.383 0.561 -5.340 1.00 34.24 C ATOM 774 CG PHE A 49 2.088 1.388 -6.411 1.00 32.20 C ATOM 775 CD1 PHE A 49 3.310 1.992 -6.135 1.00 53.42 C ATOM 776 CD2 PHE A 49 1.539 1.568 -7.684 1.00 54.22 C ATOM 777 CE1 PHE A 49 3.958 2.735 -7.088 1.00 0.34 C ATOM 778 CE2 PHE A 49 2.198 2.321 -8.638 1.00 3.25 C ATOM 779 CZ PHE A 49 3.412 2.905 -8.336 1.00 74.31 C ATOM 0 H PHE A 49 0.082 -0.421 -3.473 1.00 30.32 H new ATOM 0 HA PHE A 49 1.887 1.791 -3.628 1.00 33.51 H new ATOM 0 HB2 PHE A 49 2.034 -0.261 -5.043 1.00 34.24 H new ATOM 0 HB3 PHE A 49 0.485 0.117 -5.770 1.00 34.24 H new ATOM 0 HD1 PHE A 49 3.754 1.874 -5.158 1.00 53.42 H new ATOM 0 HD2 PHE A 49 0.589 1.114 -7.925 1.00 54.22 H new ATOM 0 HE1 PHE A 49 4.908 3.192 -6.854 1.00 0.34 H new ATOM 0 HE2 PHE A 49 1.764 2.452 -9.618 1.00 3.25 H new ATOM 0 HZ PHE A 49 3.930 3.493 -9.079 1.00 74.31 H new ATOM 789 N ARG A 50 -1.167 2.158 -4.868 1.00 32.34 N ATOM 790 CA ARG A 50 -2.198 3.116 -5.309 1.00 2.31 C ATOM 791 C ARG A 50 -2.650 3.993 -4.124 1.00 43.35 C ATOM 792 O ARG A 50 -3.026 5.154 -4.305 1.00 52.11 O ATOM 793 CB ARG A 50 -3.393 2.345 -5.910 1.00 50.32 C ATOM 794 CG ARG A 50 -3.029 1.378 -7.059 1.00 71.22 C ATOM 795 CD ARG A 50 -4.181 0.415 -7.409 1.00 52.52 C ATOM 796 NE ARG A 50 -3.745 -0.660 -8.320 1.00 23.03 N ATOM 797 CZ ARG A 50 -4.496 -1.208 -9.289 1.00 10.03 C ATOM 798 NH1 ARG A 50 -5.742 -0.787 -9.497 1.00 43.23 N ATOM 799 NH2 ARG A 50 -4.002 -2.192 -10.027 1.00 72.12 N ATOM 0 H ARG A 50 -1.478 1.187 -4.890 1.00 32.34 H new ATOM 0 HA ARG A 50 -1.782 3.771 -6.075 1.00 2.31 H new ATOM 0 HB2 ARG A 50 -3.877 1.777 -5.116 1.00 50.32 H new ATOM 0 HB3 ARG A 50 -4.124 3.065 -6.278 1.00 50.32 H new ATOM 0 HG2 ARG A 50 -2.761 1.955 -7.944 1.00 71.22 H new ATOM 0 HG3 ARG A 50 -2.149 0.799 -6.777 1.00 71.22 H new ATOM 0 HD2 ARG A 50 -4.577 -0.024 -6.493 1.00 52.52 H new ATOM 0 HD3 ARG A 50 -4.994 0.975 -7.872 1.00 52.52 H new ATOM 0 HE ARG A 50 -2.796 -1.016 -8.205 1.00 23.03 H new ATOM 0 HH11 ARG A 50 -6.132 -0.043 -8.918 1.00 43.23 H new ATOM 0 HH12 ARG A 50 -6.306 -1.208 -10.235 1.00 43.23 H new ATOM 0 HH21 ARG A 50 -3.055 -2.530 -9.858 1.00 72.12 H new ATOM 0 HH22 ARG A 50 -4.569 -2.611 -10.764 1.00 72.12 H new ATOM 813 N ALA A 51 -2.597 3.397 -2.912 1.00 12.20 N ATOM 814 CA ALA A 51 -2.805 4.109 -1.646 1.00 60.24 C ATOM 815 C ALA A 51 -1.722 5.172 -1.470 1.00 72.40 C ATOM 816 O ALA A 51 -2.025 6.330 -1.189 1.00 30.02 O ATOM 817 CB ALA A 51 -2.777 3.129 -0.462 1.00 10.53 C ATOM 0 H ALA A 51 -2.407 2.402 -2.792 1.00 12.20 H new ATOM 0 HA ALA A 51 -3.783 4.590 -1.671 1.00 60.24 H new ATOM 0 HB1 ALA A 51 -2.933 3.677 0.467 1.00 10.53 H new ATOM 0 HB2 ALA A 51 -3.567 2.388 -0.584 1.00 10.53 H new ATOM 0 HB3 ALA A 51 -1.811 2.626 -0.429 1.00 10.53 H new ATOM 823 N ALA A 52 -0.459 4.744 -1.687 1.00 61.11 N ATOM 824 CA ALA A 52 0.734 5.596 -1.551 1.00 24.24 C ATOM 825 C ALA A 52 0.730 6.757 -2.570 1.00 65.13 C ATOM 826 O ALA A 52 1.257 7.826 -2.279 1.00 42.31 O ATOM 827 CB ALA A 52 2.006 4.746 -1.688 1.00 13.11 C ATOM 0 H ALA A 52 -0.241 3.787 -1.964 1.00 61.11 H new ATOM 0 HA ALA A 52 0.716 6.045 -0.558 1.00 24.24 H new ATOM 0 HB1 ALA A 52 2.883 5.385 -1.586 1.00 13.11 H new ATOM 0 HB2 ALA A 52 2.020 3.984 -0.909 1.00 13.11 H new ATOM 0 HB3 ALA A 52 2.019 4.265 -2.666 1.00 13.11 H new ATOM 833 N ILE A 53 0.125 6.527 -3.759 1.00 32.52 N ATOM 834 CA ILE A 53 -0.085 7.574 -4.787 1.00 73.53 C ATOM 835 C ILE A 53 -0.973 8.714 -4.228 1.00 64.01 C ATOM 836 O ILE A 53 -0.666 9.903 -4.408 1.00 20.12 O ATOM 837 CB ILE A 53 -0.731 6.963 -6.101 1.00 20.05 C ATOM 838 CG1 ILE A 53 0.254 5.962 -6.789 1.00 33.43 C ATOM 839 CG2 ILE A 53 -1.179 8.070 -7.094 1.00 20.50 C ATOM 840 CD1 ILE A 53 -0.304 5.249 -8.012 1.00 4.44 C ATOM 0 H ILE A 53 -0.231 5.611 -4.033 1.00 32.52 H new ATOM 0 HA ILE A 53 0.889 7.987 -5.050 1.00 73.53 H new ATOM 0 HB ILE A 53 -1.625 6.416 -5.801 1.00 20.05 H new ATOM 0 HG12 ILE A 53 1.153 6.504 -7.082 1.00 33.43 H new ATOM 0 HG13 ILE A 53 0.557 5.213 -6.057 1.00 33.43 H new ATOM 0 HG21 ILE A 53 -1.616 7.609 -7.980 1.00 20.50 H new ATOM 0 HG22 ILE A 53 -1.920 8.710 -6.615 1.00 20.50 H new ATOM 0 HG23 ILE A 53 -0.316 8.669 -7.385 1.00 20.50 H new ATOM 0 HD11 ILE A 53 0.452 4.577 -8.418 1.00 4.44 H new ATOM 0 HD12 ILE A 53 -1.185 4.674 -7.727 1.00 4.44 H new ATOM 0 HD13 ILE A 53 -0.580 5.985 -8.768 1.00 4.44 H new ATOM 852 N VAL A 54 -2.058 8.329 -3.530 1.00 30.42 N ATOM 853 CA VAL A 54 -2.995 9.282 -2.911 1.00 22.01 C ATOM 854 C VAL A 54 -2.321 9.987 -1.717 1.00 62.41 C ATOM 855 O VAL A 54 -2.405 11.201 -1.594 1.00 3.51 O ATOM 856 CB VAL A 54 -4.326 8.582 -2.455 1.00 62.54 C ATOM 857 CG1 VAL A 54 -5.345 9.599 -1.871 1.00 72.54 C ATOM 858 CG2 VAL A 54 -4.945 7.788 -3.630 1.00 74.02 C ATOM 0 H VAL A 54 -2.308 7.352 -3.380 1.00 30.42 H new ATOM 0 HA VAL A 54 -3.260 10.024 -3.664 1.00 22.01 H new ATOM 0 HB VAL A 54 -4.078 7.885 -1.655 1.00 62.54 H new ATOM 0 HG11 VAL A 54 -6.251 9.073 -1.568 1.00 72.54 H new ATOM 0 HG12 VAL A 54 -4.907 10.096 -1.005 1.00 72.54 H new ATOM 0 HG13 VAL A 54 -5.593 10.342 -2.629 1.00 72.54 H new ATOM 0 HG21 VAL A 54 -5.866 7.308 -3.300 1.00 74.02 H new ATOM 0 HG22 VAL A 54 -5.165 8.468 -4.453 1.00 74.02 H new ATOM 0 HG23 VAL A 54 -4.240 7.027 -3.966 1.00 74.02 H new ATOM 868 N PHE A 55 -1.597 9.213 -0.886 1.00 11.43 N ATOM 869 CA PHE A 55 -0.877 9.746 0.295 1.00 75.03 C ATOM 870 C PHE A 55 0.241 10.724 -0.115 1.00 60.43 C ATOM 871 O PHE A 55 0.589 11.622 0.644 1.00 73.14 O ATOM 872 CB PHE A 55 -0.270 8.602 1.144 1.00 13.35 C ATOM 873 CG PHE A 55 -1.280 7.702 1.861 1.00 4.33 C ATOM 874 CD1 PHE A 55 -2.322 8.249 2.614 1.00 72.55 C ATOM 875 CD2 PHE A 55 -1.155 6.310 1.825 1.00 10.20 C ATOM 876 CE1 PHE A 55 -3.205 7.430 3.292 1.00 0.15 C ATOM 877 CE2 PHE A 55 -2.042 5.498 2.499 1.00 73.32 C ATOM 878 CZ PHE A 55 -3.059 6.056 3.236 1.00 45.24 C ATOM 0 H PHE A 55 -1.493 8.206 -1.010 1.00 11.43 H new ATOM 0 HA PHE A 55 -1.612 10.285 0.893 1.00 75.03 H new ATOM 0 HB2 PHE A 55 0.347 7.980 0.495 1.00 13.35 H new ATOM 0 HB3 PHE A 55 0.393 9.040 1.890 1.00 13.35 H new ATOM 0 HD1 PHE A 55 -2.439 9.321 2.667 1.00 72.55 H new ATOM 0 HD2 PHE A 55 -0.350 5.863 1.260 1.00 10.20 H new ATOM 0 HE1 PHE A 55 -4.010 7.864 3.866 1.00 0.15 H new ATOM 0 HE2 PHE A 55 -1.938 4.424 2.448 1.00 73.32 H new ATOM 0 HZ PHE A 55 -3.746 5.419 3.773 1.00 45.24 H new ATOM 888 N TYR A 56 0.792 10.520 -1.315 1.00 24.15 N ATOM 889 CA TYR A 56 1.870 11.357 -1.860 1.00 13.31 C ATOM 890 C TYR A 56 1.337 12.745 -2.274 1.00 40.02 C ATOM 891 O TYR A 56 1.869 13.776 -1.843 1.00 22.42 O ATOM 892 CB TYR A 56 2.534 10.647 -3.066 1.00 31.13 C ATOM 893 CG TYR A 56 3.640 11.469 -3.730 1.00 21.32 C ATOM 894 CD1 TYR A 56 4.776 11.851 -3.014 1.00 52.15 C ATOM 895 CD2 TYR A 56 3.532 11.898 -5.051 1.00 62.14 C ATOM 896 CE1 TYR A 56 5.767 12.603 -3.597 1.00 11.32 C ATOM 897 CE2 TYR A 56 4.519 12.654 -5.634 1.00 21.52 C ATOM 898 CZ TYR A 56 5.633 13.012 -4.905 1.00 35.42 C ATOM 899 OH TYR A 56 6.626 13.769 -5.496 1.00 11.35 O ATOM 0 H TYR A 56 0.503 9.767 -1.940 1.00 24.15 H new ATOM 0 HA TYR A 56 2.619 11.505 -1.082 1.00 13.31 H new ATOM 0 HB2 TYR A 56 2.950 9.696 -2.733 1.00 31.13 H new ATOM 0 HB3 TYR A 56 1.769 10.417 -3.808 1.00 31.13 H new ATOM 0 HD1 TYR A 56 4.878 11.550 -1.982 1.00 52.15 H new ATOM 0 HD2 TYR A 56 2.658 11.632 -5.626 1.00 62.14 H new ATOM 0 HE1 TYR A 56 6.647 12.872 -3.032 1.00 11.32 H new ATOM 0 HE2 TYR A 56 4.423 12.968 -6.663 1.00 21.52 H new ATOM 0 HH TYR A 56 6.375 13.972 -6.421 1.00 11.35 H new ATOM 909 N LYS A 57 0.289 12.754 -3.122 1.00 44.32 N ATOM 910 CA LYS A 57 -0.342 14.008 -3.604 1.00 34.42 C ATOM 911 C LYS A 57 -1.032 14.771 -2.456 1.00 23.01 C ATOM 912 O LYS A 57 -1.082 16.005 -2.468 1.00 50.13 O ATOM 913 CB LYS A 57 -1.350 13.724 -4.758 1.00 71.14 C ATOM 914 CG LYS A 57 -2.528 12.799 -4.386 1.00 60.43 C ATOM 915 CD LYS A 57 -3.607 12.711 -5.493 1.00 12.30 C ATOM 916 CE LYS A 57 -3.070 12.181 -6.833 1.00 1.51 C ATOM 917 NZ LYS A 57 -4.099 12.245 -7.911 1.00 64.01 N ATOM 0 H LYS A 57 -0.142 11.906 -3.490 1.00 44.32 H new ATOM 0 HA LYS A 57 0.454 14.641 -3.995 1.00 34.42 H new ATOM 0 HB2 LYS A 57 -1.752 14.674 -5.111 1.00 71.14 H new ATOM 0 HB3 LYS A 57 -0.808 13.278 -5.592 1.00 71.14 H new ATOM 0 HG2 LYS A 57 -2.146 11.799 -4.180 1.00 60.43 H new ATOM 0 HG3 LYS A 57 -2.989 13.160 -3.466 1.00 60.43 H new ATOM 0 HD2 LYS A 57 -4.414 12.062 -5.152 1.00 12.30 H new ATOM 0 HD3 LYS A 57 -4.038 13.700 -5.649 1.00 12.30 H new ATOM 0 HE2 LYS A 57 -2.197 12.763 -7.130 1.00 1.51 H new ATOM 0 HE3 LYS A 57 -2.739 11.150 -6.709 1.00 1.51 H new ATOM 0 HZ1 LYS A 57 -3.697 11.879 -8.797 1.00 64.01 H new ATOM 0 HZ2 LYS A 57 -4.922 11.669 -7.640 1.00 64.01 H new ATOM 0 HZ3 LYS A 57 -4.397 13.232 -8.048 1.00 64.01 H new ATOM 931 N GLU A 58 -1.559 14.026 -1.463 1.00 73.32 N ATOM 932 CA GLU A 58 -2.169 14.618 -0.251 1.00 4.32 C ATOM 933 C GLU A 58 -1.108 14.894 0.823 1.00 62.14 C ATOM 934 O GLU A 58 -1.440 15.397 1.903 1.00 55.13 O ATOM 935 CB GLU A 58 -3.298 13.710 0.309 1.00 74.41 C ATOM 936 CG GLU A 58 -4.438 13.407 -0.694 1.00 51.14 C ATOM 937 CD GLU A 58 -5.012 14.667 -1.371 1.00 50.12 C ATOM 938 OE1 GLU A 58 -5.796 15.398 -0.729 1.00 23.53 O ATOM 939 OE2 GLU A 58 -4.658 14.949 -2.537 1.00 24.01 O ATOM 0 H GLU A 58 -1.575 13.006 -1.476 1.00 73.32 H new ATOM 0 HA GLU A 58 -2.615 15.571 -0.537 1.00 4.32 H new ATOM 0 HB2 GLU A 58 -2.859 12.767 0.636 1.00 74.41 H new ATOM 0 HB3 GLU A 58 -3.725 14.186 1.192 1.00 74.41 H new ATOM 0 HG2 GLU A 58 -4.065 12.729 -1.462 1.00 51.14 H new ATOM 0 HG3 GLU A 58 -5.241 12.886 -0.173 1.00 51.14 H new ATOM 946 N HIS A 59 0.155 14.525 0.521 1.00 1.11 N ATOM 947 CA HIS A 59 1.346 14.830 1.351 1.00 74.24 C ATOM 948 C HIS A 59 1.215 14.281 2.787 1.00 34.10 C ATOM 949 O HIS A 59 1.847 14.776 3.728 1.00 30.31 O ATOM 950 CB HIS A 59 1.660 16.351 1.311 1.00 51.21 C ATOM 951 CG HIS A 59 2.028 16.831 -0.068 1.00 35.25 C ATOM 952 ND1 HIS A 59 3.281 16.675 -0.609 1.00 22.21 N ATOM 953 CD2 HIS A 59 1.286 17.422 -1.025 1.00 14.33 C ATOM 954 CE1 HIS A 59 3.289 17.149 -1.835 1.00 43.42 C ATOM 955 NE2 HIS A 59 2.091 17.610 -2.114 1.00 12.13 N ATOM 0 H HIS A 59 0.382 13.997 -0.321 1.00 1.11 H new ATOM 0 HA HIS A 59 2.201 14.309 0.920 1.00 74.24 H new ATOM 0 HB2 HIS A 59 0.792 16.907 1.665 1.00 51.21 H new ATOM 0 HB3 HIS A 59 2.479 16.567 1.997 1.00 51.21 H new ATOM 0 HD1 HIS A 59 4.081 16.257 -0.133 1.00 22.21 H new ATOM 0 HD2 HIS A 59 0.245 17.697 -0.946 1.00 14.33 H new ATOM 0 HE1 HIS A 59 4.139 17.158 -2.502 1.00 43.42 H new ATOM 964 N ASP A 60 0.421 13.205 2.903 1.00 53.33 N ATOM 965 CA ASP A 60 0.145 12.504 4.148 1.00 52.01 C ATOM 966 C ASP A 60 1.306 11.538 4.431 1.00 61.03 C ATOM 967 O ASP A 60 1.267 10.362 4.052 1.00 11.22 O ATOM 968 CB ASP A 60 -1.220 11.771 4.028 1.00 31.10 C ATOM 969 CG ASP A 60 -1.714 11.178 5.357 1.00 64.01 C ATOM 970 OD1 ASP A 60 -2.262 11.939 6.182 1.00 41.41 O ATOM 971 OD2 ASP A 60 -1.564 9.963 5.583 1.00 65.13 O ATOM 0 H ASP A 60 -0.058 12.793 2.102 1.00 53.33 H new ATOM 0 HA ASP A 60 0.070 13.197 4.986 1.00 52.01 H new ATOM 0 HB2 ASP A 60 -1.967 12.469 3.651 1.00 31.10 H new ATOM 0 HB3 ASP A 60 -1.131 10.971 3.293 1.00 31.10 H new ATOM 976 N THR A 61 2.367 12.100 5.035 1.00 51.12 N ATOM 977 CA THR A 61 3.605 11.388 5.392 1.00 43.33 C ATOM 978 C THR A 61 3.340 10.159 6.279 1.00 52.15 C ATOM 979 O THR A 61 4.010 9.137 6.144 1.00 44.42 O ATOM 980 CB THR A 61 4.572 12.363 6.134 1.00 51.25 C ATOM 981 OG1 THR A 61 3.869 13.022 7.203 1.00 71.41 O ATOM 982 CG2 THR A 61 5.149 13.425 5.188 1.00 63.52 C ATOM 0 H THR A 61 2.387 13.086 5.295 1.00 51.12 H new ATOM 0 HA THR A 61 4.056 11.033 4.465 1.00 43.33 H new ATOM 0 HB THR A 61 5.398 11.771 6.528 1.00 51.25 H new ATOM 0 HG1 THR A 61 4.479 13.632 7.668 1.00 71.41 H new ATOM 0 HG21 THR A 61 5.817 14.083 5.744 1.00 63.52 H new ATOM 0 HG22 THR A 61 5.705 12.936 4.388 1.00 63.52 H new ATOM 0 HG23 THR A 61 4.336 14.011 4.760 1.00 63.52 H new ATOM 990 N ASP A 62 2.342 10.301 7.160 1.00 11.34 N ATOM 991 CA ASP A 62 1.899 9.259 8.102 1.00 55.23 C ATOM 992 C ASP A 62 1.508 7.966 7.361 1.00 3.35 C ATOM 993 O ASP A 62 2.025 6.878 7.664 1.00 3.11 O ATOM 994 CB ASP A 62 0.680 9.786 8.912 1.00 10.24 C ATOM 995 CG ASP A 62 0.999 10.996 9.805 1.00 2.53 C ATOM 996 OD1 ASP A 62 1.329 12.072 9.267 1.00 72.14 O ATOM 997 OD2 ASP A 62 0.909 10.884 11.048 1.00 41.34 O ATOM 0 H ASP A 62 1.805 11.164 7.242 1.00 11.34 H new ATOM 0 HA ASP A 62 2.725 9.027 8.774 1.00 55.23 H new ATOM 0 HB2 ASP A 62 -0.114 10.059 8.217 1.00 10.24 H new ATOM 0 HB3 ASP A 62 0.294 8.979 9.535 1.00 10.24 H new ATOM 1002 N GLY A 63 0.591 8.117 6.390 1.00 54.24 N ATOM 1003 CA GLY A 63 0.062 6.992 5.630 1.00 52.05 C ATOM 1004 C GLY A 63 1.034 6.481 4.591 1.00 70.32 C ATOM 1005 O GLY A 63 1.135 5.277 4.402 1.00 13.53 O ATOM 0 H GLY A 63 0.203 9.020 6.118 1.00 54.24 H new ATOM 0 HA2 GLY A 63 -0.190 6.182 6.315 1.00 52.05 H new ATOM 0 HA3 GLY A 63 -0.863 7.294 5.139 1.00 52.05 H new ATOM 1009 N LEU A 64 1.751 7.410 3.925 1.00 14.10 N ATOM 1010 CA LEU A 64 2.724 7.081 2.860 1.00 63.43 C ATOM 1011 C LEU A 64 3.871 6.212 3.410 1.00 14.52 C ATOM 1012 O LEU A 64 4.283 5.239 2.776 1.00 23.11 O ATOM 1013 CB LEU A 64 3.290 8.390 2.249 1.00 11.41 C ATOM 1014 CG LEU A 64 4.342 8.239 1.097 1.00 74.12 C ATOM 1015 CD1 LEU A 64 3.733 7.686 -0.203 1.00 33.22 C ATOM 1016 CD2 LEU A 64 5.043 9.568 0.825 1.00 21.12 C ATOM 0 H LEU A 64 1.672 8.410 4.110 1.00 14.10 H new ATOM 0 HA LEU A 64 2.211 6.511 2.085 1.00 63.43 H new ATOM 0 HB2 LEU A 64 2.453 8.976 1.869 1.00 11.41 H new ATOM 0 HB3 LEU A 64 3.747 8.969 3.052 1.00 11.41 H new ATOM 0 HG LEU A 64 5.073 7.509 1.444 1.00 74.12 H new ATOM 0 HD11 LEU A 64 4.510 7.604 -0.963 1.00 33.22 H new ATOM 0 HD12 LEU A 64 3.305 6.701 -0.014 1.00 33.22 H new ATOM 0 HD13 LEU A 64 2.952 8.360 -0.554 1.00 33.22 H new ATOM 0 HD21 LEU A 64 5.769 9.439 0.022 1.00 21.12 H new ATOM 0 HD22 LEU A 64 4.306 10.315 0.531 1.00 21.12 H new ATOM 0 HD23 LEU A 64 5.556 9.900 1.728 1.00 21.12 H new ATOM 1028 N ARG A 65 4.345 6.575 4.618 1.00 11.03 N ATOM 1029 CA ARG A 65 5.456 5.887 5.308 1.00 15.33 C ATOM 1030 C ARG A 65 5.051 4.462 5.688 1.00 53.05 C ATOM 1031 O ARG A 65 5.789 3.506 5.445 1.00 63.35 O ATOM 1032 CB ARG A 65 5.851 6.693 6.577 1.00 71.32 C ATOM 1033 CG ARG A 65 7.121 6.209 7.307 1.00 63.13 C ATOM 1034 CD ARG A 65 7.482 7.115 8.502 1.00 73.30 C ATOM 1035 NE ARG A 65 8.755 6.729 9.131 1.00 11.00 N ATOM 1036 CZ ARG A 65 9.452 7.479 10.006 1.00 70.13 C ATOM 1037 NH1 ARG A 65 9.009 8.682 10.388 1.00 62.22 N ATOM 1038 NH2 ARG A 65 10.599 7.018 10.485 1.00 63.10 N ATOM 0 H ARG A 65 3.965 7.360 5.147 1.00 11.03 H new ATOM 0 HA ARG A 65 6.312 5.828 4.636 1.00 15.33 H new ATOM 0 HB2 ARG A 65 5.992 7.736 6.294 1.00 71.32 H new ATOM 0 HB3 ARG A 65 5.017 6.663 7.278 1.00 71.32 H new ATOM 0 HG2 ARG A 65 6.970 5.188 7.659 1.00 63.13 H new ATOM 0 HG3 ARG A 65 7.955 6.185 6.606 1.00 63.13 H new ATOM 0 HD2 ARG A 65 7.545 8.150 8.165 1.00 73.30 H new ATOM 0 HD3 ARG A 65 6.684 7.070 9.244 1.00 73.30 H new ATOM 0 HE ARG A 65 9.142 5.818 8.884 1.00 11.00 H new ATOM 0 HH11 ARG A 65 8.131 9.044 10.016 1.00 62.22 H new ATOM 0 HH12 ARG A 65 9.549 9.237 11.052 1.00 62.22 H new ATOM 0 HH21 ARG A 65 10.944 6.105 10.190 1.00 63.10 H new ATOM 0 HH22 ARG A 65 11.136 7.577 11.148 1.00 63.10 H new ATOM 1052 N ARG A 66 3.841 4.350 6.249 1.00 61.32 N ATOM 1053 CA ARG A 66 3.295 3.084 6.754 1.00 24.31 C ATOM 1054 C ARG A 66 2.856 2.168 5.586 1.00 23.13 C ATOM 1055 O ARG A 66 2.906 0.937 5.697 1.00 62.41 O ATOM 1056 CB ARG A 66 2.134 3.382 7.735 1.00 31.44 C ATOM 1057 CG ARG A 66 1.639 2.155 8.528 1.00 60.52 C ATOM 1058 CD ARG A 66 0.580 2.498 9.593 1.00 22.12 C ATOM 1059 NE ARG A 66 0.050 1.283 10.240 1.00 55.41 N ATOM 1060 CZ ARG A 66 -0.849 1.260 11.234 1.00 73.34 C ATOM 1061 NH1 ARG A 66 -1.346 2.390 11.738 1.00 3.22 N ATOM 1062 NH2 ARG A 66 -1.259 0.094 11.715 1.00 51.43 N ATOM 0 H ARG A 66 3.208 5.141 6.366 1.00 61.32 H new ATOM 0 HA ARG A 66 4.069 2.542 7.298 1.00 24.31 H new ATOM 0 HB2 ARG A 66 2.457 4.148 8.439 1.00 31.44 H new ATOM 0 HB3 ARG A 66 1.298 3.798 7.173 1.00 31.44 H new ATOM 0 HG2 ARG A 66 1.221 1.427 7.832 1.00 60.52 H new ATOM 0 HG3 ARG A 66 2.491 1.679 9.014 1.00 60.52 H new ATOM 0 HD2 ARG A 66 1.019 3.151 10.347 1.00 22.12 H new ATOM 0 HD3 ARG A 66 -0.237 3.051 9.130 1.00 22.12 H new ATOM 0 HE ARG A 66 0.397 0.385 9.903 1.00 55.41 H new ATOM 0 HH11 ARG A 66 -1.043 3.291 11.367 1.00 3.22 H new ATOM 0 HH12 ARG A 66 -2.029 2.354 12.494 1.00 3.22 H new ATOM 0 HH21 ARG A 66 -0.890 -0.775 11.329 1.00 51.43 H new ATOM 0 HH22 ARG A 66 -1.943 0.066 12.471 1.00 51.43 H new ATOM 1076 N ALA A 67 2.436 2.791 4.466 1.00 33.23 N ATOM 1077 CA ALA A 67 2.063 2.075 3.229 1.00 20.52 C ATOM 1078 C ALA A 67 3.318 1.580 2.496 1.00 21.20 C ATOM 1079 O ALA A 67 3.269 0.541 1.852 1.00 2.55 O ATOM 1080 CB ALA A 67 1.212 2.965 2.308 1.00 55.52 C ATOM 0 H ALA A 67 2.346 3.804 4.394 1.00 33.23 H new ATOM 0 HA ALA A 67 1.460 1.210 3.508 1.00 20.52 H new ATOM 0 HB1 ALA A 67 0.952 2.412 1.406 1.00 55.52 H new ATOM 0 HB2 ALA A 67 0.300 3.260 2.828 1.00 55.52 H new ATOM 0 HB3 ALA A 67 1.779 3.855 2.037 1.00 55.52 H new ATOM 1086 N ALA A 68 4.432 2.345 2.610 1.00 72.31 N ATOM 1087 CA ALA A 68 5.751 1.966 2.050 1.00 13.34 C ATOM 1088 C ALA A 68 6.316 0.750 2.794 1.00 42.44 C ATOM 1089 O ALA A 68 6.897 -0.160 2.184 1.00 12.44 O ATOM 1090 CB ALA A 68 6.726 3.154 2.140 1.00 72.50 C ATOM 0 H ALA A 68 4.440 3.243 3.094 1.00 72.31 H new ATOM 0 HA ALA A 68 5.624 1.699 1.001 1.00 13.34 H new ATOM 0 HB1 ALA A 68 7.692 2.864 1.726 1.00 72.50 H new ATOM 0 HB2 ALA A 68 6.327 3.996 1.575 1.00 72.50 H new ATOM 0 HB3 ALA A 68 6.851 3.444 3.183 1.00 72.50 H new ATOM 1096 N LYS A 69 6.131 0.773 4.126 1.00 22.25 N ATOM 1097 CA LYS A 69 6.446 -0.348 5.025 1.00 40.51 C ATOM 1098 C LYS A 69 5.664 -1.615 4.620 1.00 34.13 C ATOM 1099 O LYS A 69 6.258 -2.657 4.357 1.00 11.22 O ATOM 1100 CB LYS A 69 6.093 0.060 6.485 1.00 30.45 C ATOM 1101 CG LYS A 69 7.148 0.957 7.181 1.00 30.43 C ATOM 1102 CD LYS A 69 8.359 0.151 7.700 1.00 53.32 C ATOM 1103 CE LYS A 69 7.964 -0.843 8.814 1.00 43.12 C ATOM 1104 NZ LYS A 69 9.114 -1.678 9.243 1.00 63.23 N ATOM 0 H LYS A 69 5.752 1.585 4.614 1.00 22.25 H new ATOM 0 HA LYS A 69 7.509 -0.576 4.953 1.00 40.51 H new ATOM 0 HB2 LYS A 69 5.137 0.584 6.480 1.00 30.45 H new ATOM 0 HB3 LYS A 69 5.958 -0.845 7.078 1.00 30.45 H new ATOM 0 HG2 LYS A 69 7.494 1.716 6.480 1.00 30.43 H new ATOM 0 HG3 LYS A 69 6.681 1.482 8.014 1.00 30.43 H new ATOM 0 HD2 LYS A 69 8.812 -0.395 6.872 1.00 53.32 H new ATOM 0 HD3 LYS A 69 9.115 0.838 8.080 1.00 53.32 H new ATOM 0 HE2 LYS A 69 7.575 -0.293 9.671 1.00 43.12 H new ATOM 0 HE3 LYS A 69 7.160 -1.487 8.458 1.00 43.12 H new ATOM 0 HZ1 LYS A 69 8.808 -2.332 9.992 1.00 63.23 H new ATOM 0 HZ2 LYS A 69 9.469 -2.223 8.431 1.00 63.23 H new ATOM 0 HZ3 LYS A 69 9.871 -1.065 9.607 1.00 63.23 H new ATOM 1118 N SER A 70 4.333 -1.472 4.502 1.00 23.42 N ATOM 1119 CA SER A 70 3.428 -2.590 4.174 1.00 13.41 C ATOM 1120 C SER A 70 3.631 -3.098 2.734 1.00 32.42 C ATOM 1121 O SER A 70 3.416 -4.284 2.465 1.00 65.02 O ATOM 1122 CB SER A 70 1.969 -2.159 4.408 1.00 73.41 C ATOM 1123 OG SER A 70 1.768 -1.817 5.762 1.00 23.54 O ATOM 0 H SER A 70 3.854 -0.581 4.631 1.00 23.42 H new ATOM 0 HA SER A 70 3.667 -3.424 4.834 1.00 13.41 H new ATOM 0 HB2 SER A 70 1.728 -1.307 3.772 1.00 73.41 H new ATOM 0 HB3 SER A 70 1.295 -2.968 4.127 1.00 73.41 H new ATOM 0 HG SER A 70 2.099 -0.909 5.923 1.00 23.54 H new ATOM 1129 N LEU A 71 4.055 -2.189 1.831 1.00 13.12 N ATOM 1130 CA LEU A 71 4.268 -2.493 0.403 1.00 23.23 C ATOM 1131 C LEU A 71 5.394 -3.531 0.260 1.00 1.30 C ATOM 1132 O LEU A 71 5.179 -4.609 -0.291 1.00 55.15 O ATOM 1133 CB LEU A 71 4.594 -1.186 -0.402 1.00 45.14 C ATOM 1134 CG LEU A 71 3.855 -1.001 -1.770 1.00 25.20 C ATOM 1135 CD1 LEU A 71 4.110 0.403 -2.332 1.00 4.42 C ATOM 1136 CD2 LEU A 71 4.228 -2.091 -2.795 1.00 13.11 C ATOM 0 H LEU A 71 4.260 -1.220 2.075 1.00 13.12 H new ATOM 0 HA LEU A 71 3.352 -2.912 -0.014 1.00 23.23 H new ATOM 0 HB2 LEU A 71 4.360 -0.329 0.230 1.00 45.14 H new ATOM 0 HB3 LEU A 71 5.668 -1.160 -0.589 1.00 45.14 H new ATOM 0 HG LEU A 71 2.787 -1.111 -1.579 1.00 25.20 H new ATOM 0 HD11 LEU A 71 3.589 0.514 -3.283 1.00 4.42 H new ATOM 0 HD12 LEU A 71 3.743 1.149 -1.627 1.00 4.42 H new ATOM 0 HD13 LEU A 71 5.180 0.545 -2.486 1.00 4.42 H new ATOM 0 HD21 LEU A 71 3.688 -1.916 -3.725 1.00 13.11 H new ATOM 0 HD22 LEU A 71 5.301 -2.059 -2.986 1.00 13.11 H new ATOM 0 HD23 LEU A 71 3.959 -3.070 -2.399 1.00 13.11 H new ATOM 1148 N LYS A 72 6.567 -3.210 0.841 1.00 0.31 N ATOM 1149 CA LYS A 72 7.778 -4.049 0.717 1.00 53.43 C ATOM 1150 C LYS A 72 7.635 -5.389 1.463 1.00 30.42 C ATOM 1151 O LYS A 72 8.138 -6.416 0.999 1.00 35.32 O ATOM 1152 CB LYS A 72 9.035 -3.285 1.222 1.00 22.02 C ATOM 1153 CG LYS A 72 8.992 -2.868 2.714 1.00 24.42 C ATOM 1154 CD LYS A 72 10.331 -2.294 3.228 1.00 23.01 C ATOM 1155 CE LYS A 72 10.784 -1.031 2.485 1.00 74.42 C ATOM 1156 NZ LYS A 72 12.148 -0.611 2.904 1.00 24.54 N ATOM 0 H LYS A 72 6.703 -2.371 1.404 1.00 0.31 H new ATOM 0 HA LYS A 72 7.901 -4.273 -0.343 1.00 53.43 H new ATOM 0 HB2 LYS A 72 9.912 -3.912 1.061 1.00 22.02 H new ATOM 0 HB3 LYS A 72 9.167 -2.390 0.614 1.00 22.02 H new ATOM 0 HG2 LYS A 72 8.208 -2.123 2.853 1.00 24.42 H new ATOM 0 HG3 LYS A 72 8.720 -3.734 3.318 1.00 24.42 H new ATOM 0 HD2 LYS A 72 10.235 -2.066 4.290 1.00 23.01 H new ATOM 0 HD3 LYS A 72 11.104 -3.057 3.134 1.00 23.01 H new ATOM 0 HE2 LYS A 72 10.773 -1.216 1.411 1.00 74.42 H new ATOM 0 HE3 LYS A 72 10.078 -0.222 2.676 1.00 74.42 H new ATOM 0 HZ1 LYS A 72 12.396 0.283 2.433 1.00 24.54 H new ATOM 0 HZ2 LYS A 72 12.168 -0.477 3.935 1.00 24.54 H new ATOM 0 HZ3 LYS A 72 12.835 -1.345 2.637 1.00 24.54 H new ATOM 1170 N GLU A 73 6.931 -5.365 2.613 1.00 35.00 N ATOM 1171 CA GLU A 73 6.720 -6.556 3.458 1.00 50.33 C ATOM 1172 C GLU A 73 5.669 -7.500 2.841 1.00 11.33 C ATOM 1173 O GLU A 73 5.686 -8.709 3.109 1.00 11.20 O ATOM 1174 CB GLU A 73 6.366 -6.118 4.906 1.00 22.41 C ATOM 1175 CG GLU A 73 7.535 -5.378 5.608 1.00 62.23 C ATOM 1176 CD GLU A 73 7.195 -4.816 6.998 1.00 10.01 C ATOM 1177 OE1 GLU A 73 7.237 -5.579 7.990 1.00 73.43 O ATOM 1178 OE2 GLU A 73 6.916 -3.602 7.110 1.00 73.41 O ATOM 0 H GLU A 73 6.494 -4.520 2.981 1.00 35.00 H new ATOM 0 HA GLU A 73 7.645 -7.131 3.507 1.00 50.33 H new ATOM 0 HB2 GLU A 73 5.492 -5.468 4.881 1.00 22.41 H new ATOM 0 HB3 GLU A 73 6.093 -6.996 5.491 1.00 22.41 H new ATOM 0 HG2 GLU A 73 8.376 -6.064 5.704 1.00 62.23 H new ATOM 0 HG3 GLU A 73 7.864 -4.558 4.970 1.00 62.23 H new ATOM 1185 N ALA A 74 4.783 -6.942 1.990 1.00 51.52 N ATOM 1186 CA ALA A 74 3.854 -7.744 1.165 1.00 51.54 C ATOM 1187 C ALA A 74 4.605 -8.399 -0.012 1.00 3.13 C ATOM 1188 O ALA A 74 4.316 -9.528 -0.389 1.00 61.42 O ATOM 1189 CB ALA A 74 2.694 -6.875 0.647 1.00 30.05 C ATOM 0 H ALA A 74 4.691 -5.935 1.856 1.00 51.52 H new ATOM 0 HA ALA A 74 3.436 -8.532 1.791 1.00 51.54 H new ATOM 0 HB1 ALA A 74 2.023 -7.486 0.043 1.00 30.05 H new ATOM 0 HB2 ALA A 74 2.144 -6.460 1.492 1.00 30.05 H new ATOM 0 HB3 ALA A 74 3.092 -6.062 0.039 1.00 30.05 H new ATOM 1195 N ILE A 75 5.589 -7.679 -0.562 1.00 14.53 N ATOM 1196 CA ILE A 75 6.389 -8.144 -1.715 1.00 23.34 C ATOM 1197 C ILE A 75 7.352 -9.279 -1.330 1.00 1.43 C ATOM 1198 O ILE A 75 7.553 -10.223 -2.104 1.00 34.24 O ATOM 1199 CB ILE A 75 7.165 -6.950 -2.356 1.00 54.14 C ATOM 1200 CG1 ILE A 75 6.151 -5.916 -2.938 1.00 23.30 C ATOM 1201 CG2 ILE A 75 8.153 -7.435 -3.442 1.00 3.41 C ATOM 1202 CD1 ILE A 75 6.751 -4.570 -3.248 1.00 62.25 C ATOM 0 H ILE A 75 5.858 -6.755 -0.224 1.00 14.53 H new ATOM 0 HA ILE A 75 5.696 -8.550 -2.452 1.00 23.34 H new ATOM 0 HB ILE A 75 7.757 -6.465 -1.580 1.00 54.14 H new ATOM 0 HG12 ILE A 75 5.715 -6.325 -3.849 1.00 23.30 H new ATOM 0 HG13 ILE A 75 5.336 -5.783 -2.226 1.00 23.30 H new ATOM 0 HG21 ILE A 75 8.676 -6.578 -3.867 1.00 3.41 H new ATOM 0 HG22 ILE A 75 8.877 -8.118 -2.997 1.00 3.41 H new ATOM 0 HG23 ILE A 75 7.604 -7.952 -4.229 1.00 3.41 H new ATOM 0 HD11 ILE A 75 5.980 -3.911 -3.648 1.00 62.25 H new ATOM 0 HD12 ILE A 75 7.162 -4.136 -2.336 1.00 62.25 H new ATOM 0 HD13 ILE A 75 7.546 -4.687 -3.984 1.00 62.25 H new ATOM 1214 N THR A 76 7.937 -9.186 -0.127 1.00 2.45 N ATOM 1215 CA THR A 76 8.782 -10.259 0.425 1.00 52.30 C ATOM 1216 C THR A 76 7.935 -11.494 0.783 1.00 72.32 C ATOM 1217 O THR A 76 8.471 -12.589 0.983 1.00 0.30 O ATOM 1218 CB THR A 76 9.580 -9.755 1.669 1.00 72.05 C ATOM 1219 OG1 THR A 76 8.683 -9.191 2.645 1.00 31.12 O ATOM 1220 CG2 THR A 76 10.630 -8.703 1.264 1.00 3.23 C ATOM 0 H THR A 76 7.841 -8.376 0.486 1.00 2.45 H new ATOM 0 HA THR A 76 9.500 -10.551 -0.342 1.00 52.30 H new ATOM 0 HB THR A 76 10.095 -10.611 2.104 1.00 72.05 H new ATOM 0 HG1 THR A 76 7.756 -9.343 2.364 1.00 31.12 H new ATOM 0 HG21 THR A 76 11.171 -8.369 2.149 1.00 3.23 H new ATOM 0 HG22 THR A 76 11.331 -9.143 0.555 1.00 3.23 H new ATOM 0 HG23 THR A 76 10.132 -7.851 0.801 1.00 3.23 H new ATOM 1228 N ALA A 77 6.604 -11.291 0.881 1.00 2.32 N ATOM 1229 CA ALA A 77 5.638 -12.374 1.083 1.00 64.41 C ATOM 1230 C ALA A 77 5.220 -13.013 -0.256 1.00 3.11 C ATOM 1231 O ALA A 77 4.719 -14.141 -0.266 1.00 33.22 O ATOM 1232 CB ALA A 77 4.424 -11.846 1.852 1.00 22.24 C ATOM 0 H ALA A 77 6.176 -10.367 0.821 1.00 2.32 H new ATOM 0 HA ALA A 77 6.112 -13.158 1.674 1.00 64.41 H new ATOM 0 HB1 ALA A 77 3.708 -12.654 2.000 1.00 22.24 H new ATOM 0 HB2 ALA A 77 4.745 -11.463 2.821 1.00 22.24 H new ATOM 0 HB3 ALA A 77 3.954 -11.044 1.283 1.00 22.24 H new ATOM 1238 N ILE A 78 5.415 -12.282 -1.383 1.00 25.12 N ATOM 1239 CA ILE A 78 5.253 -12.854 -2.741 1.00 50.32 C ATOM 1240 C ILE A 78 6.460 -13.778 -3.010 1.00 73.14 C ATOM 1241 O ILE A 78 7.601 -13.325 -2.842 1.00 21.31 O ATOM 1242 CB ILE A 78 5.208 -11.762 -3.892 1.00 42.45 C ATOM 1243 CG1 ILE A 78 4.227 -10.598 -3.563 1.00 72.02 C ATOM 1244 CG2 ILE A 78 4.827 -12.426 -5.244 1.00 32.54 C ATOM 1245 CD1 ILE A 78 4.295 -9.417 -4.531 1.00 72.23 C ATOM 0 H ILE A 78 5.684 -11.298 -1.377 1.00 25.12 H new ATOM 0 HA ILE A 78 4.298 -13.380 -2.759 1.00 50.32 H new ATOM 0 HB ILE A 78 6.205 -11.329 -3.970 1.00 42.45 H new ATOM 0 HG12 ILE A 78 3.209 -10.988 -3.557 1.00 72.02 H new ATOM 0 HG13 ILE A 78 4.436 -10.238 -2.556 1.00 72.02 H new ATOM 0 HG21 ILE A 78 4.799 -11.668 -6.027 1.00 32.54 H new ATOM 0 HG22 ILE A 78 5.568 -13.184 -5.499 1.00 32.54 H new ATOM 0 HG23 ILE A 78 3.846 -12.893 -5.156 1.00 32.54 H new ATOM 0 HD11 ILE A 78 3.579 -8.654 -4.225 1.00 72.23 H new ATOM 0 HD12 ILE A 78 5.300 -8.996 -4.521 1.00 72.23 H new ATOM 0 HD13 ILE A 78 4.055 -9.758 -5.538 1.00 72.23 H new ATOM 1369 N GLU A 86 8.904 -7.616 -10.174 1.00 21.33 N ATOM 1370 CA GLU A 86 7.754 -6.943 -10.828 1.00 53.44 C ATOM 1371 C GLU A 86 7.057 -5.941 -9.875 1.00 42.41 C ATOM 1372 O GLU A 86 7.183 -4.723 -10.050 1.00 42.31 O ATOM 1373 CB GLU A 86 6.757 -8.018 -11.339 1.00 31.14 C ATOM 1374 CG GLU A 86 5.435 -7.491 -11.966 1.00 64.02 C ATOM 1375 CD GLU A 86 5.639 -6.716 -13.271 1.00 14.53 C ATOM 1376 OE1 GLU A 86 5.902 -7.356 -14.314 1.00 33.35 O ATOM 1377 OE2 GLU A 86 5.535 -5.470 -13.263 1.00 64.22 O ATOM 0 HA GLU A 86 8.123 -6.363 -11.674 1.00 53.44 H new ATOM 0 HB2 GLU A 86 7.267 -8.632 -12.082 1.00 31.14 H new ATOM 0 HB3 GLU A 86 6.503 -8.672 -10.505 1.00 31.14 H new ATOM 0 HG2 GLU A 86 4.771 -8.335 -12.155 1.00 64.02 H new ATOM 0 HG3 GLU A 86 4.933 -6.846 -11.245 1.00 64.02 H new ATOM 1384 N ALA A 87 6.338 -6.472 -8.859 1.00 64.41 N ATOM 1385 CA ALA A 87 5.705 -5.649 -7.813 1.00 21.10 C ATOM 1386 C ALA A 87 6.757 -4.947 -6.941 1.00 31.13 C ATOM 1387 O ALA A 87 6.466 -3.917 -6.335 1.00 3.25 O ATOM 1388 CB ALA A 87 4.768 -6.497 -6.941 1.00 11.50 C ATOM 0 H ALA A 87 6.184 -7.474 -8.745 1.00 64.41 H new ATOM 0 HA ALA A 87 5.114 -4.882 -8.313 1.00 21.10 H new ATOM 0 HB1 ALA A 87 4.313 -5.867 -6.177 1.00 11.50 H new ATOM 0 HB2 ALA A 87 3.987 -6.933 -7.564 1.00 11.50 H new ATOM 0 HB3 ALA A 87 5.338 -7.294 -6.463 1.00 11.50 H new ATOM 1394 N LYS A 88 7.979 -5.534 -6.889 1.00 21.21 N ATOM 1395 CA LYS A 88 9.070 -5.113 -5.986 1.00 11.50 C ATOM 1396 C LYS A 88 9.486 -3.640 -6.214 1.00 4.24 C ATOM 1397 O LYS A 88 9.842 -2.937 -5.259 1.00 62.43 O ATOM 1398 CB LYS A 88 10.266 -6.099 -6.142 1.00 52.52 C ATOM 1399 CG LYS A 88 11.365 -6.063 -5.035 1.00 24.23 C ATOM 1400 CD LYS A 88 12.434 -4.969 -5.242 1.00 4.31 C ATOM 1401 CE LYS A 88 13.519 -4.975 -4.157 1.00 11.41 C ATOM 1402 NZ LYS A 88 14.512 -3.896 -4.385 1.00 22.54 N ATOM 0 H LYS A 88 8.234 -6.323 -7.483 1.00 21.21 H new ATOM 0 HA LYS A 88 8.713 -5.154 -4.957 1.00 11.50 H new ATOM 0 HB2 LYS A 88 9.866 -7.112 -6.189 1.00 52.52 H new ATOM 0 HB3 LYS A 88 10.745 -5.901 -7.101 1.00 52.52 H new ATOM 0 HG2 LYS A 88 10.886 -5.909 -4.068 1.00 24.23 H new ATOM 0 HG3 LYS A 88 11.858 -7.034 -4.996 1.00 24.23 H new ATOM 0 HD2 LYS A 88 12.902 -5.107 -6.217 1.00 4.31 H new ATOM 0 HD3 LYS A 88 11.949 -3.993 -5.257 1.00 4.31 H new ATOM 0 HE2 LYS A 88 13.058 -4.848 -3.177 1.00 11.41 H new ATOM 0 HE3 LYS A 88 14.023 -5.941 -4.149 1.00 11.41 H new ATOM 0 HZ1 LYS A 88 15.233 -3.924 -3.636 1.00 22.54 H new ATOM 0 HZ2 LYS A 88 14.967 -4.033 -5.310 1.00 22.54 H new ATOM 0 HZ3 LYS A 88 14.032 -2.973 -4.369 1.00 22.54 H new ATOM 1416 N GLU A 89 9.404 -3.190 -7.481 1.00 11.51 N ATOM 1417 CA GLU A 89 9.737 -1.808 -7.889 1.00 70.34 C ATOM 1418 C GLU A 89 8.828 -0.770 -7.191 1.00 63.01 C ATOM 1419 O GLU A 89 9.263 0.348 -6.893 1.00 23.22 O ATOM 1420 CB GLU A 89 9.631 -1.683 -9.430 1.00 73.44 C ATOM 1421 CG GLU A 89 9.933 -0.275 -9.974 1.00 61.31 C ATOM 1422 CD GLU A 89 9.981 -0.213 -11.501 1.00 50.42 C ATOM 1423 OE1 GLU A 89 8.907 -0.129 -12.132 1.00 73.23 O ATOM 1424 OE2 GLU A 89 11.097 -0.233 -12.075 1.00 71.21 O ATOM 0 H GLU A 89 9.103 -3.779 -8.258 1.00 11.51 H new ATOM 0 HA GLU A 89 10.760 -1.596 -7.579 1.00 70.34 H new ATOM 0 HB2 GLU A 89 10.320 -2.392 -9.889 1.00 73.44 H new ATOM 0 HB3 GLU A 89 8.626 -1.971 -9.738 1.00 73.44 H new ATOM 0 HG2 GLU A 89 9.172 0.417 -9.613 1.00 61.31 H new ATOM 0 HG3 GLU A 89 10.888 0.064 -9.573 1.00 61.31 H new ATOM 1431 N MET A 90 7.578 -1.175 -6.914 1.00 62.43 N ATOM 1432 CA MET A 90 6.580 -0.322 -6.251 1.00 51.21 C ATOM 1433 C MET A 90 6.988 0.025 -4.808 1.00 61.42 C ATOM 1434 O MET A 90 6.682 1.122 -4.334 1.00 63.31 O ATOM 1435 CB MET A 90 5.191 -0.986 -6.282 1.00 50.41 C ATOM 1436 CG MET A 90 4.670 -1.281 -7.694 1.00 70.02 C ATOM 1437 SD MET A 90 2.922 -1.735 -7.710 1.00 42.32 S ATOM 1438 CE MET A 90 2.873 -3.107 -6.554 1.00 53.43 C ATOM 0 H MET A 90 7.231 -2.106 -7.144 1.00 62.43 H new ATOM 0 HA MET A 90 6.530 0.614 -6.807 1.00 51.21 H new ATOM 0 HB2 MET A 90 5.233 -1.919 -5.720 1.00 50.41 H new ATOM 0 HB3 MET A 90 4.479 -0.338 -5.771 1.00 50.41 H new ATOM 0 HG2 MET A 90 4.819 -0.403 -8.323 1.00 70.02 H new ATOM 0 HG3 MET A 90 5.255 -2.090 -8.131 1.00 70.02 H new ATOM 0 HE1 MET A 90 2.053 -3.775 -6.817 1.00 53.43 H new ATOM 0 HE2 MET A 90 3.815 -3.654 -6.598 1.00 53.43 H new ATOM 0 HE3 MET A 90 2.721 -2.726 -5.544 1.00 53.43 H new ATOM 1448 N ALA A 91 7.675 -0.918 -4.125 1.00 45.23 N ATOM 1449 CA ALA A 91 8.243 -0.669 -2.783 1.00 73.32 C ATOM 1450 C ALA A 91 9.214 0.519 -2.827 1.00 24.22 C ATOM 1451 O ALA A 91 9.094 1.450 -2.028 1.00 1.10 O ATOM 1452 CB ALA A 91 8.956 -1.917 -2.249 1.00 71.13 C ATOM 0 H ALA A 91 7.849 -1.858 -4.482 1.00 45.23 H new ATOM 0 HA ALA A 91 7.423 -0.429 -2.107 1.00 73.32 H new ATOM 0 HB1 ALA A 91 9.365 -1.707 -1.261 1.00 71.13 H new ATOM 0 HB2 ALA A 91 8.245 -2.741 -2.181 1.00 71.13 H new ATOM 0 HB3 ALA A 91 9.765 -2.191 -2.926 1.00 71.13 H new ATOM 1458 N LYS A 92 10.125 0.488 -3.830 1.00 51.12 N ATOM 1459 CA LYS A 92 11.098 1.564 -4.087 1.00 73.10 C ATOM 1460 C LYS A 92 10.381 2.895 -4.349 1.00 15.14 C ATOM 1461 O LYS A 92 10.770 3.914 -3.793 1.00 74.31 O ATOM 1462 CB LYS A 92 12.000 1.203 -5.303 1.00 13.32 C ATOM 1463 CG LYS A 92 13.024 2.300 -5.695 1.00 33.12 C ATOM 1464 CD LYS A 92 13.864 1.936 -6.941 1.00 3.33 C ATOM 1465 CE LYS A 92 14.866 3.037 -7.327 1.00 12.31 C ATOM 1466 NZ LYS A 92 15.717 2.651 -8.490 1.00 60.21 N ATOM 0 H LYS A 92 10.201 -0.291 -4.484 1.00 51.12 H new ATOM 0 HA LYS A 92 11.723 1.672 -3.201 1.00 73.10 H new ATOM 0 HB2 LYS A 92 12.541 0.284 -5.078 1.00 13.32 H new ATOM 0 HB3 LYS A 92 11.363 0.995 -6.163 1.00 13.32 H new ATOM 0 HG2 LYS A 92 12.492 3.233 -5.884 1.00 33.12 H new ATOM 0 HG3 LYS A 92 13.694 2.479 -4.854 1.00 33.12 H new ATOM 0 HD2 LYS A 92 14.405 1.009 -6.751 1.00 3.33 H new ATOM 0 HD3 LYS A 92 13.196 1.748 -7.782 1.00 3.33 H new ATOM 0 HE2 LYS A 92 14.323 3.951 -7.566 1.00 12.31 H new ATOM 0 HE3 LYS A 92 15.504 3.260 -6.472 1.00 12.31 H new ATOM 0 HZ1 LYS A 92 16.375 3.425 -8.711 1.00 60.21 H new ATOM 0 HZ2 LYS A 92 16.257 1.794 -8.255 1.00 60.21 H new ATOM 0 HZ3 LYS A 92 15.113 2.464 -9.316 1.00 60.21 H new ATOM 1480 N LYS A 93 9.299 2.834 -5.155 1.00 63.31 N ATOM 1481 CA LYS A 93 8.499 4.010 -5.551 1.00 34.34 C ATOM 1482 C LYS A 93 7.976 4.775 -4.324 1.00 65.32 C ATOM 1483 O LYS A 93 8.181 5.984 -4.208 1.00 0.51 O ATOM 1484 CB LYS A 93 7.302 3.558 -6.421 1.00 32.02 C ATOM 1485 CG LYS A 93 7.641 3.184 -7.878 1.00 20.51 C ATOM 1486 CD LYS A 93 7.977 4.425 -8.721 1.00 10.32 C ATOM 1487 CE LYS A 93 8.217 4.102 -10.197 1.00 2.11 C ATOM 1488 NZ LYS A 93 8.618 5.315 -10.957 1.00 74.22 N ATOM 0 H LYS A 93 8.955 1.960 -5.551 1.00 63.31 H new ATOM 0 HA LYS A 93 9.145 4.678 -6.120 1.00 34.34 H new ATOM 0 HB2 LYS A 93 6.833 2.697 -5.944 1.00 32.02 H new ATOM 0 HB3 LYS A 93 6.562 4.358 -6.433 1.00 32.02 H new ATOM 0 HG2 LYS A 93 8.487 2.496 -7.890 1.00 20.51 H new ATOM 0 HG3 LYS A 93 6.797 2.659 -8.325 1.00 20.51 H new ATOM 0 HD2 LYS A 93 7.161 5.143 -8.641 1.00 10.32 H new ATOM 0 HD3 LYS A 93 8.866 4.905 -8.311 1.00 10.32 H new ATOM 0 HE2 LYS A 93 8.994 3.343 -10.284 1.00 2.11 H new ATOM 0 HE3 LYS A 93 7.310 3.681 -10.632 1.00 2.11 H new ATOM 0 HZ1 LYS A 93 8.774 5.064 -11.954 1.00 74.22 H new ATOM 0 HZ2 LYS A 93 7.865 6.029 -10.893 1.00 74.22 H new ATOM 0 HZ3 LYS A 93 9.496 5.701 -10.556 1.00 74.22 H new ATOM 1502 N ALA A 94 7.331 4.032 -3.406 1.00 75.32 N ATOM 1503 CA ALA A 94 6.727 4.597 -2.189 1.00 13.40 C ATOM 1504 C ALA A 94 7.781 5.241 -1.269 1.00 24.31 C ATOM 1505 O ALA A 94 7.496 6.229 -0.587 1.00 21.33 O ATOM 1506 CB ALA A 94 5.945 3.510 -1.447 1.00 34.05 C ATOM 0 H ALA A 94 7.215 3.022 -3.489 1.00 75.32 H new ATOM 0 HA ALA A 94 6.042 5.390 -2.488 1.00 13.40 H new ATOM 0 HB1 ALA A 94 5.499 3.933 -0.547 1.00 34.05 H new ATOM 0 HB2 ALA A 94 5.158 3.122 -2.094 1.00 34.05 H new ATOM 0 HB3 ALA A 94 6.620 2.700 -1.172 1.00 34.05 H new ATOM 1512 N GLU A 95 9.001 4.671 -1.290 1.00 64.12 N ATOM 1513 CA GLU A 95 10.149 5.164 -0.511 1.00 1.11 C ATOM 1514 C GLU A 95 10.755 6.435 -1.148 1.00 11.34 C ATOM 1515 O GLU A 95 11.165 7.347 -0.430 1.00 35.13 O ATOM 1516 CB GLU A 95 11.213 4.050 -0.391 1.00 73.34 C ATOM 1517 CG GLU A 95 10.726 2.783 0.341 1.00 5.52 C ATOM 1518 CD GLU A 95 11.796 1.686 0.394 1.00 0.23 C ATOM 1519 OE1 GLU A 95 12.712 1.786 1.239 1.00 23.32 O ATOM 1520 OE2 GLU A 95 11.740 0.725 -0.405 1.00 32.51 O ATOM 0 H GLU A 95 9.217 3.849 -1.853 1.00 64.12 H new ATOM 0 HA GLU A 95 9.801 5.434 0.486 1.00 1.11 H new ATOM 0 HB2 GLU A 95 11.546 3.772 -1.391 1.00 73.34 H new ATOM 0 HB3 GLU A 95 12.081 4.448 0.135 1.00 73.34 H new ATOM 0 HG2 GLU A 95 10.429 3.046 1.356 1.00 5.52 H new ATOM 0 HG3 GLU A 95 9.839 2.396 -0.160 1.00 5.52 H new ATOM 1527 N GLU A 96 10.789 6.485 -2.500 1.00 5.42 N ATOM 1528 CA GLU A 96 11.285 7.660 -3.260 1.00 31.04 C ATOM 1529 C GLU A 96 10.391 8.873 -2.976 1.00 24.14 C ATOM 1530 O GLU A 96 10.870 10.003 -2.801 1.00 2.31 O ATOM 1531 CB GLU A 96 11.278 7.377 -4.784 1.00 50.25 C ATOM 1532 CG GLU A 96 12.239 6.271 -5.259 1.00 51.10 C ATOM 1533 CD GLU A 96 13.730 6.587 -5.045 1.00 73.50 C ATOM 1534 OE1 GLU A 96 14.255 7.499 -5.721 1.00 30.12 O ATOM 1535 OE2 GLU A 96 14.395 5.903 -4.242 1.00 42.31 O ATOM 0 H GLU A 96 10.475 5.717 -3.094 1.00 5.42 H new ATOM 0 HA GLU A 96 12.308 7.863 -2.943 1.00 31.04 H new ATOM 0 HB2 GLU A 96 10.265 7.105 -5.080 1.00 50.25 H new ATOM 0 HB3 GLU A 96 11.527 8.300 -5.308 1.00 50.25 H new ATOM 0 HG2 GLU A 96 11.997 5.347 -4.734 1.00 51.10 H new ATOM 0 HG3 GLU A 96 12.068 6.089 -6.320 1.00 51.10 H new ATOM 1542 N TRP A 97 9.081 8.595 -2.941 1.00 21.30 N ATOM 1543 CA TRP A 97 8.053 9.568 -2.598 1.00 51.13 C ATOM 1544 C TRP A 97 8.209 10.023 -1.141 1.00 64.43 C ATOM 1545 O TRP A 97 8.120 11.213 -0.844 1.00 12.01 O ATOM 1546 CB TRP A 97 6.654 8.947 -2.826 1.00 52.34 C ATOM 1547 CG TRP A 97 6.350 8.605 -4.273 1.00 5.31 C ATOM 1548 CD1 TRP A 97 6.926 9.134 -5.402 1.00 1.54 C ATOM 1549 CD2 TRP A 97 5.379 7.658 -4.737 1.00 25.53 C ATOM 1550 NE1 TRP A 97 6.388 8.556 -6.521 1.00 11.12 N ATOM 1551 CE2 TRP A 97 5.431 7.655 -6.142 1.00 1.25 C ATOM 1552 CE3 TRP A 97 4.468 6.813 -4.096 1.00 41.31 C ATOM 1553 CZ2 TRP A 97 4.629 6.827 -6.914 1.00 1.13 C ATOM 1554 CZ3 TRP A 97 3.662 6.001 -4.867 1.00 0.44 C ATOM 1555 CH2 TRP A 97 3.749 6.015 -6.262 1.00 64.55 C ATOM 0 H TRP A 97 8.707 7.671 -3.155 1.00 21.30 H new ATOM 0 HA TRP A 97 8.162 10.443 -3.239 1.00 51.13 H new ATOM 0 HB2 TRP A 97 6.569 8.041 -2.225 1.00 52.34 H new ATOM 0 HB3 TRP A 97 5.897 9.642 -2.463 1.00 52.34 H new ATOM 0 HD1 TRP A 97 7.692 9.895 -5.407 1.00 1.54 H new ATOM 0 HE1 TRP A 97 6.658 8.764 -7.483 1.00 11.12 H new ATOM 0 HE3 TRP A 97 4.397 6.796 -3.018 1.00 41.31 H new ATOM 0 HZ2 TRP A 97 4.699 6.826 -7.992 1.00 1.13 H new ATOM 0 HZ3 TRP A 97 2.953 5.344 -4.385 1.00 0.44 H new ATOM 0 HH2 TRP A 97 3.104 5.367 -6.837 1.00 64.55 H new ATOM 1566 N LEU A 98 8.488 9.041 -0.261 1.00 21.33 N ATOM 1567 CA LEU A 98 8.655 9.254 1.185 1.00 32.44 C ATOM 1568 C LEU A 98 9.858 10.171 1.486 1.00 64.13 C ATOM 1569 O LEU A 98 9.831 10.926 2.454 1.00 1.25 O ATOM 1570 CB LEU A 98 8.799 7.884 1.894 1.00 5.10 C ATOM 1571 CG LEU A 98 8.890 7.902 3.449 1.00 41.23 C ATOM 1572 CD1 LEU A 98 7.663 8.599 4.083 1.00 33.43 C ATOM 1573 CD2 LEU A 98 9.079 6.466 3.996 1.00 64.01 C ATOM 0 H LEU A 98 8.605 8.067 -0.541 1.00 21.33 H new ATOM 0 HA LEU A 98 7.770 9.760 1.570 1.00 32.44 H new ATOM 0 HB2 LEU A 98 7.948 7.264 1.611 1.00 5.10 H new ATOM 0 HB3 LEU A 98 9.693 7.394 1.507 1.00 5.10 H new ATOM 0 HG LEU A 98 9.765 8.488 3.731 1.00 41.23 H new ATOM 0 HD11 LEU A 98 7.761 8.592 5.169 1.00 33.43 H new ATOM 0 HD12 LEU A 98 7.607 9.629 3.730 1.00 33.43 H new ATOM 0 HD13 LEU A 98 6.755 8.068 3.798 1.00 33.43 H new ATOM 0 HD21 LEU A 98 9.141 6.496 5.084 1.00 64.01 H new ATOM 0 HD22 LEU A 98 8.232 5.849 3.698 1.00 64.01 H new ATOM 0 HD23 LEU A 98 9.998 6.041 3.592 1.00 64.01 H new ATOM 1585 N GLN A 99 10.895 10.106 0.626 1.00 4.23 N ATOM 1586 CA GLN A 99 12.064 11.000 0.712 1.00 4.54 C ATOM 1587 C GLN A 99 11.653 12.446 0.391 1.00 15.34 C ATOM 1588 O GLN A 99 11.954 13.366 1.154 1.00 12.45 O ATOM 1589 CB GLN A 99 13.191 10.526 -0.249 1.00 12.12 C ATOM 1590 CG GLN A 99 13.810 9.163 0.121 1.00 42.22 C ATOM 1591 CD GLN A 99 14.860 8.671 -0.880 1.00 21.40 C ATOM 1592 OE1 GLN A 99 14.790 8.967 -2.073 1.00 72.32 O ATOM 1593 NE2 GLN A 99 15.832 7.902 -0.411 1.00 53.25 N ATOM 0 H GLN A 99 10.944 9.437 -0.142 1.00 4.23 H new ATOM 0 HA GLN A 99 12.450 10.966 1.731 1.00 4.54 H new ATOM 0 HB2 GLN A 99 12.789 10.466 -1.260 1.00 12.12 H new ATOM 0 HB3 GLN A 99 13.980 11.278 -0.264 1.00 12.12 H new ATOM 0 HG2 GLN A 99 14.268 9.238 1.107 1.00 42.22 H new ATOM 0 HG3 GLN A 99 13.015 8.421 0.194 1.00 42.22 H new ATOM 0 HE21 GLN A 99 15.866 7.672 0.582 1.00 53.25 H new ATOM 0 HE22 GLN A 99 16.546 7.540 -1.043 1.00 53.25 H new ATOM 1602 N ALA A 100 10.922 12.622 -0.729 1.00 14.35 N ATOM 1603 CA ALA A 100 10.424 13.950 -1.178 1.00 10.13 C ATOM 1604 C ALA A 100 9.531 14.618 -0.114 1.00 43.30 C ATOM 1605 O ALA A 100 9.440 15.849 -0.039 1.00 51.31 O ATOM 1606 CB ALA A 100 9.671 13.810 -2.507 1.00 31.21 C ATOM 0 H ALA A 100 10.658 11.856 -1.348 1.00 14.35 H new ATOM 0 HA ALA A 100 11.289 14.597 -1.326 1.00 10.13 H new ATOM 0 HB1 ALA A 100 9.311 14.788 -2.826 1.00 31.21 H new ATOM 0 HB2 ALA A 100 10.342 13.406 -3.265 1.00 31.21 H new ATOM 0 HB3 ALA A 100 8.824 13.137 -2.376 1.00 31.21 H new ATOM 1612 N GLU A 101 8.889 13.777 0.705 1.00 14.23 N ATOM 1613 CA GLU A 101 8.036 14.212 1.811 1.00 32.14 C ATOM 1614 C GLU A 101 8.850 14.512 3.088 1.00 62.00 C ATOM 1615 O GLU A 101 8.542 15.465 3.814 1.00 41.34 O ATOM 1616 CB GLU A 101 6.983 13.120 2.093 1.00 11.23 C ATOM 1617 CG GLU A 101 5.998 12.861 0.937 1.00 44.45 C ATOM 1618 CD GLU A 101 5.208 14.104 0.510 1.00 3.01 C ATOM 1619 OE1 GLU A 101 4.625 14.771 1.387 1.00 25.22 O ATOM 1620 OE2 GLU A 101 5.148 14.412 -0.700 1.00 45.00 O ATOM 0 H GLU A 101 8.950 12.763 0.615 1.00 14.23 H new ATOM 0 HA GLU A 101 7.546 15.141 1.520 1.00 32.14 H new ATOM 0 HB2 GLU A 101 7.499 12.189 2.328 1.00 11.23 H new ATOM 0 HB3 GLU A 101 6.415 13.402 2.980 1.00 11.23 H new ATOM 0 HG2 GLU A 101 6.551 12.480 0.078 1.00 44.45 H new ATOM 0 HG3 GLU A 101 5.298 12.081 1.236 1.00 44.45 H new