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+ -149:sc= 0.385 (180deg=-0.208) USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 TYR OH : rot 180:sc= -1.13 USER MOD Set 2.2: A 70 SER OG : rot -85:sc= -0.2 USER MOD Single : A 24 MET CE :methyl -156:sc= -0.131 (180deg=-0.648) USER MOD Single : A 30 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.1) USER MOD Single : A 36 ASN : amide:sc=-0.00125 K(o=-0.0013,f=-0.73) USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= 0.63 (180deg=0.52) USER MOD Single : A 38 MET CE :methyl -179:sc= -0.343 (180deg=-0.347) USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 0.176 (180deg=0.172) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 169:sc= -0.0321 (180deg=-0.178) USER MOD Single : A 59 HIS : no HE2:sc= 0.189 K(o=0.19,f=-0.68) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00926 USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00436) USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= 0.888 (180deg=0.615) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -145:sc= -0.9 (180deg=-1.66) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= -0.0153 (180deg=-0.142) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -10.835 8.730 1.046 1.00 61.03 N ATOM 369 CA MET A 24 -10.533 7.390 0.507 1.00 14.14 C ATOM 370 C MET A 24 -9.022 7.142 0.629 1.00 11.05 C ATOM 371 O MET A 24 -8.423 7.600 1.606 1.00 2.11 O ATOM 372 CB MET A 24 -11.048 7.334 -0.959 1.00 12.13 C ATOM 373 CG MET A 24 -12.581 7.417 -1.087 1.00 15.13 C ATOM 374 SD MET A 24 -13.113 8.128 -2.652 1.00 31.33 S ATOM 375 CE MET A 24 -12.548 9.828 -2.476 1.00 52.33 C ATOM 0 HA MET A 24 -11.033 6.597 1.063 1.00 14.14 H new ATOM 0 HB2 MET A 24 -10.602 8.154 -1.522 1.00 12.13 H new ATOM 0 HB3 MET A 24 -10.705 6.407 -1.419 1.00 12.13 H new ATOM 0 HG2 MET A 24 -13.004 6.418 -0.985 1.00 15.13 H new ATOM 0 HG3 MET A 24 -12.977 8.016 -0.267 1.00 15.13 H new ATOM 0 HE1 MET A 24 -13.142 10.477 -3.119 1.00 52.33 H new ATOM 0 HE2 MET A 24 -12.661 10.143 -1.439 1.00 52.33 H new ATOM 0 HE3 MET A 24 -11.499 9.894 -2.763 1.00 52.33 H new ATOM 385 N GLY A 25 -8.407 6.401 -0.319 1.00 4.05 N ATOM 386 CA GLY A 25 -6.967 6.100 -0.277 1.00 42.24 C ATOM 387 C GLY A 25 -6.660 4.950 0.665 1.00 53.04 C ATOM 388 O GLY A 25 -6.297 3.849 0.229 1.00 55.32 O ATOM 0 H GLY A 25 -8.891 6.001 -1.123 1.00 4.05 H new ATOM 0 HA2 GLY A 25 -6.618 5.852 -1.279 1.00 42.24 H new ATOM 0 HA3 GLY A 25 -6.419 6.987 0.041 1.00 42.24 H new ATOM 392 N ARG A 26 -6.861 5.223 1.968 1.00 1.24 N ATOM 393 CA ARG A 26 -6.656 4.261 3.064 1.00 24.23 C ATOM 394 C ARG A 26 -7.567 3.028 2.925 1.00 61.55 C ATOM 395 O ARG A 26 -7.254 1.970 3.466 1.00 52.04 O ATOM 396 CB ARG A 26 -6.881 4.962 4.440 1.00 5.40 C ATOM 397 CG ARG A 26 -5.886 6.118 4.728 1.00 54.15 C ATOM 398 CD ARG A 26 -6.013 6.747 6.125 1.00 25.41 C ATOM 399 NE ARG A 26 -5.023 7.825 6.343 1.00 71.32 N ATOM 400 CZ ARG A 26 -4.812 8.460 7.509 1.00 3.11 C ATOM 401 NH1 ARG A 26 -5.513 8.150 8.603 1.00 42.42 N ATOM 402 NH2 ARG A 26 -3.892 9.411 7.570 1.00 54.21 N ATOM 0 H ARG A 26 -7.177 6.137 2.293 1.00 1.24 H new ATOM 0 HA ARG A 26 -5.627 3.907 3.009 1.00 24.23 H new ATOM 0 HB2 ARG A 26 -7.898 5.354 4.475 1.00 5.40 H new ATOM 0 HB3 ARG A 26 -6.798 4.219 5.233 1.00 5.40 H new ATOM 0 HG2 ARG A 26 -4.870 5.743 4.605 1.00 54.15 H new ATOM 0 HG3 ARG A 26 -6.030 6.897 3.980 1.00 54.15 H new ATOM 0 HD2 ARG A 26 -7.019 7.148 6.251 1.00 25.41 H new ATOM 0 HD3 ARG A 26 -5.880 5.975 6.883 1.00 25.41 H new ATOM 0 HE ARG A 26 -4.455 8.109 5.545 1.00 71.32 H new ATOM 0 HH11 ARG A 26 -6.224 7.419 8.563 1.00 42.42 H new ATOM 0 HH12 ARG A 26 -5.338 8.644 9.478 1.00 42.42 H new ATOM 0 HH21 ARG A 26 -3.354 9.654 6.738 1.00 54.21 H new ATOM 0 HH22 ARG A 26 -3.722 9.901 8.449 1.00 54.21 H new ATOM 416 N ALA A 27 -8.692 3.183 2.193 1.00 12.32 N ATOM 417 CA ALA A 27 -9.613 2.076 1.891 1.00 53.13 C ATOM 418 C ALA A 27 -8.900 0.939 1.131 1.00 10.12 C ATOM 419 O ALA A 27 -9.045 -0.226 1.510 1.00 21.52 O ATOM 420 CB ALA A 27 -10.834 2.587 1.120 1.00 22.43 C ATOM 0 H ALA A 27 -8.982 4.078 1.798 1.00 12.32 H new ATOM 0 HA ALA A 27 -9.961 1.659 2.836 1.00 53.13 H new ATOM 0 HB1 ALA A 27 -11.504 1.754 0.906 1.00 22.43 H new ATOM 0 HB2 ALA A 27 -11.359 3.329 1.721 1.00 22.43 H new ATOM 0 HB3 ALA A 27 -10.509 3.042 0.184 1.00 22.43 H new ATOM 426 N LEU A 28 -8.097 1.294 0.090 1.00 23.31 N ATOM 427 CA LEU A 28 -7.272 0.305 -0.646 1.00 13.15 C ATOM 428 C LEU A 28 -6.231 -0.344 0.278 1.00 20.14 C ATOM 429 O LEU A 28 -5.964 -1.542 0.161 1.00 11.21 O ATOM 430 CB LEU A 28 -6.553 0.924 -1.880 1.00 3.13 C ATOM 431 CG LEU A 28 -7.446 1.190 -3.129 1.00 43.12 C ATOM 432 CD1 LEU A 28 -6.640 1.874 -4.250 1.00 32.54 C ATOM 433 CD2 LEU A 28 -8.121 -0.103 -3.638 1.00 74.33 C ATOM 0 H LEU A 28 -8.006 2.250 -0.253 1.00 23.31 H new ATOM 0 HA LEU A 28 -7.964 -0.456 -1.008 1.00 13.15 H new ATOM 0 HB2 LEU A 28 -6.099 1.867 -1.576 1.00 3.13 H new ATOM 0 HB3 LEU A 28 -5.741 0.259 -2.174 1.00 3.13 H new ATOM 0 HG LEU A 28 -8.241 1.870 -2.821 1.00 43.12 H new ATOM 0 HD11 LEU A 28 -7.287 2.048 -5.109 1.00 32.54 H new ATOM 0 HD12 LEU A 28 -6.252 2.827 -3.890 1.00 32.54 H new ATOM 0 HD13 LEU A 28 -5.810 1.232 -4.545 1.00 32.54 H new ATOM 0 HD21 LEU A 28 -8.735 0.126 -4.509 1.00 74.33 H new ATOM 0 HD22 LEU A 28 -7.356 -0.829 -3.913 1.00 74.33 H new ATOM 0 HD23 LEU A 28 -8.750 -0.519 -2.851 1.00 74.33 H new ATOM 445 N TYR A 29 -5.660 0.464 1.193 1.00 14.14 N ATOM 446 CA TYR A 29 -4.636 0.002 2.149 1.00 43.24 C ATOM 447 C TYR A 29 -5.161 -1.176 3.000 1.00 51.15 C ATOM 448 O TYR A 29 -4.461 -2.184 3.175 1.00 14.14 O ATOM 449 CB TYR A 29 -4.171 1.170 3.063 1.00 13.15 C ATOM 450 CG TYR A 29 -3.099 0.756 4.070 1.00 21.41 C ATOM 451 CD1 TYR A 29 -1.843 0.371 3.629 1.00 1.31 C ATOM 452 CD2 TYR A 29 -3.347 0.702 5.447 1.00 53.21 C ATOM 453 CE1 TYR A 29 -0.876 -0.044 4.503 1.00 74.23 C ATOM 454 CE2 TYR A 29 -2.373 0.277 6.327 1.00 20.01 C ATOM 455 CZ TYR A 29 -1.141 -0.092 5.843 1.00 42.42 C ATOM 456 OH TYR A 29 -0.174 -0.544 6.698 1.00 32.01 O ATOM 0 H TYR A 29 -5.895 1.452 1.290 1.00 14.14 H new ATOM 0 HA TYR A 29 -3.778 -0.351 1.576 1.00 43.24 H new ATOM 0 HB2 TYR A 29 -3.784 1.977 2.441 1.00 13.15 H new ATOM 0 HB3 TYR A 29 -5.032 1.567 3.601 1.00 13.15 H new ATOM 0 HD1 TYR A 29 -1.623 0.399 2.572 1.00 1.31 H new ATOM 0 HD2 TYR A 29 -4.314 0.997 5.826 1.00 53.21 H new ATOM 0 HE1 TYR A 29 0.097 -0.334 4.134 1.00 74.23 H new ATOM 0 HE2 TYR A 29 -2.577 0.235 7.387 1.00 20.01 H new ATOM 0 HH TYR A 29 -0.512 -0.518 7.617 1.00 32.01 H new ATOM 466 N ASN A 30 -6.405 -1.042 3.502 1.00 14.45 N ATOM 467 CA ASN A 30 -7.052 -2.079 4.336 1.00 13.30 C ATOM 468 C ASN A 30 -7.336 -3.361 3.524 1.00 33.11 C ATOM 469 O ASN A 30 -7.234 -4.470 4.063 1.00 65.13 O ATOM 470 CB ASN A 30 -8.356 -1.549 4.980 1.00 34.00 C ATOM 471 CG ASN A 30 -8.123 -0.420 5.986 1.00 33.31 C ATOM 472 OD1 ASN A 30 -7.733 -0.667 7.125 1.00 4.24 O ATOM 473 ND2 ASN A 30 -8.420 0.809 5.606 1.00 62.33 N ATOM 0 H ASN A 30 -6.987 -0.219 3.343 1.00 14.45 H new ATOM 0 HA ASN A 30 -6.354 -2.331 5.134 1.00 13.30 H new ATOM 0 HB2 ASN A 30 -9.022 -1.193 4.194 1.00 34.00 H new ATOM 0 HB3 ASN A 30 -8.866 -2.372 5.481 1.00 34.00 H new ATOM 0 HD21 ASN A 30 -8.328 1.583 6.264 1.00 62.33 H new ATOM 0 HD22 ASN A 30 -8.741 0.985 4.654 1.00 62.33 H new ATOM 480 N ILE A 31 -7.671 -3.193 2.227 1.00 64.15 N ATOM 481 CA ILE A 31 -7.894 -4.315 1.288 1.00 12.05 C ATOM 482 C ILE A 31 -6.577 -5.100 1.080 1.00 75.33 C ATOM 483 O ILE A 31 -6.581 -6.336 0.967 1.00 44.44 O ATOM 484 CB ILE A 31 -8.425 -3.777 -0.094 1.00 20.14 C ATOM 485 CG1 ILE A 31 -9.747 -2.976 0.094 1.00 51.43 C ATOM 486 CG2 ILE A 31 -8.622 -4.919 -1.114 1.00 23.12 C ATOM 487 CD1 ILE A 31 -10.187 -2.199 -1.131 1.00 51.01 C ATOM 0 H ILE A 31 -7.795 -2.275 1.800 1.00 64.15 H new ATOM 0 HA ILE A 31 -8.643 -4.983 1.713 1.00 12.05 H new ATOM 0 HB ILE A 31 -7.666 -3.104 -0.494 1.00 20.14 H new ATOM 0 HG12 ILE A 31 -10.541 -3.669 0.375 1.00 51.43 H new ATOM 0 HG13 ILE A 31 -9.622 -2.281 0.925 1.00 51.43 H new ATOM 0 HG21 ILE A 31 -8.989 -4.508 -2.054 1.00 23.12 H new ATOM 0 HG22 ILE A 31 -7.670 -5.422 -1.285 1.00 23.12 H new ATOM 0 HG23 ILE A 31 -9.346 -5.634 -0.724 1.00 23.12 H new ATOM 0 HD11 ILE A 31 -11.115 -1.671 -0.913 1.00 51.01 H new ATOM 0 HD12 ILE A 31 -9.415 -1.479 -1.402 1.00 51.01 H new ATOM 0 HD13 ILE A 31 -10.348 -2.888 -1.960 1.00 51.01 H new ATOM 499 N GLY A 32 -5.456 -4.346 1.041 1.00 44.23 N ATOM 500 CA GLY A 32 -4.120 -4.914 0.889 1.00 74.10 C ATOM 501 C GLY A 32 -3.704 -5.759 2.086 1.00 33.15 C ATOM 502 O GLY A 32 -3.134 -6.838 1.914 1.00 42.33 O ATOM 0 H GLY A 32 -5.464 -3.329 1.115 1.00 44.23 H new ATOM 0 HA2 GLY A 32 -4.090 -5.527 -0.012 1.00 74.10 H new ATOM 0 HA3 GLY A 32 -3.400 -4.108 0.750 1.00 74.10 H new ATOM 506 N LEU A 33 -4.019 -5.264 3.305 1.00 55.15 N ATOM 507 CA LEU A 33 -3.742 -5.980 4.571 1.00 21.30 C ATOM 508 C LEU A 33 -4.445 -7.357 4.587 1.00 51.03 C ATOM 509 O LEU A 33 -3.905 -8.348 5.106 1.00 60.01 O ATOM 510 CB LEU A 33 -4.205 -5.119 5.782 1.00 4.53 C ATOM 511 CG LEU A 33 -3.518 -3.720 5.952 1.00 70.34 C ATOM 512 CD1 LEU A 33 -4.101 -2.954 7.165 1.00 23.53 C ATOM 513 CD2 LEU A 33 -1.977 -3.848 6.060 1.00 71.22 C ATOM 0 H LEU A 33 -4.471 -4.359 3.438 1.00 55.15 H new ATOM 0 HA LEU A 33 -2.668 -6.147 4.647 1.00 21.30 H new ATOM 0 HB2 LEU A 33 -5.280 -4.962 5.697 1.00 4.53 H new ATOM 0 HB3 LEU A 33 -4.037 -5.694 6.693 1.00 4.53 H new ATOM 0 HG LEU A 33 -3.734 -3.141 5.054 1.00 70.34 H new ATOM 0 HD11 LEU A 33 -3.605 -1.988 7.258 1.00 23.53 H new ATOM 0 HD12 LEU A 33 -5.170 -2.801 7.019 1.00 23.53 H new ATOM 0 HD13 LEU A 33 -3.939 -3.534 8.074 1.00 23.53 H new ATOM 0 HD21 LEU A 33 -1.537 -2.858 6.177 1.00 71.22 H new ATOM 0 HD22 LEU A 33 -1.723 -4.462 6.924 1.00 71.22 H new ATOM 0 HD23 LEU A 33 -1.586 -4.314 5.156 1.00 71.22 H new ATOM 525 N GLU A 34 -5.653 -7.396 3.988 1.00 74.32 N ATOM 526 CA GLU A 34 -6.454 -8.627 3.860 1.00 42.03 C ATOM 527 C GLU A 34 -5.797 -9.624 2.884 1.00 62.54 C ATOM 528 O GLU A 34 -5.679 -10.819 3.198 1.00 10.43 O ATOM 529 CB GLU A 34 -7.897 -8.287 3.414 1.00 43.20 C ATOM 530 CG GLU A 34 -8.678 -7.402 4.412 1.00 34.34 C ATOM 531 CD GLU A 34 -8.796 -8.018 5.819 1.00 55.22 C ATOM 532 OE1 GLU A 34 -9.504 -9.041 5.974 1.00 22.12 O ATOM 533 OE2 GLU A 34 -8.167 -7.500 6.776 1.00 33.11 O ATOM 0 H GLU A 34 -6.099 -6.574 3.580 1.00 74.32 H new ATOM 0 HA GLU A 34 -6.498 -9.106 4.838 1.00 42.03 H new ATOM 0 HB2 GLU A 34 -7.857 -7.780 2.450 1.00 43.20 H new ATOM 0 HB3 GLU A 34 -8.447 -9.216 3.263 1.00 43.20 H new ATOM 0 HG2 GLU A 34 -8.185 -6.433 4.489 1.00 34.34 H new ATOM 0 HG3 GLU A 34 -9.678 -7.221 4.019 1.00 34.34 H new ATOM 540 N LYS A 35 -5.356 -9.113 1.711 1.00 53.34 N ATOM 541 CA LYS A 35 -4.695 -9.929 0.666 1.00 11.00 C ATOM 542 C LYS A 35 -3.377 -10.557 1.179 1.00 34.32 C ATOM 543 O LYS A 35 -3.027 -11.681 0.792 1.00 32.33 O ATOM 544 CB LYS A 35 -4.391 -9.071 -0.591 1.00 41.23 C ATOM 545 CG LYS A 35 -5.620 -8.528 -1.356 1.00 41.25 C ATOM 546 CD LYS A 35 -6.574 -9.640 -1.861 1.00 53.02 C ATOM 547 CE LYS A 35 -7.600 -9.124 -2.891 1.00 74.20 C ATOM 548 NZ LYS A 35 -8.434 -8.009 -2.378 1.00 64.13 N ATOM 0 H LYS A 35 -5.448 -8.128 1.463 1.00 53.34 H new ATOM 0 HA LYS A 35 -5.386 -10.731 0.405 1.00 11.00 H new ATOM 0 HB2 LYS A 35 -3.774 -8.225 -0.288 1.00 41.23 H new ATOM 0 HB3 LYS A 35 -3.795 -9.670 -1.280 1.00 41.23 H new ATOM 0 HG2 LYS A 35 -6.175 -7.853 -0.704 1.00 41.25 H new ATOM 0 HG3 LYS A 35 -5.277 -7.940 -2.207 1.00 41.25 H new ATOM 0 HD2 LYS A 35 -5.986 -10.441 -2.310 1.00 53.02 H new ATOM 0 HD3 LYS A 35 -7.104 -10.071 -1.012 1.00 53.02 H new ATOM 0 HE2 LYS A 35 -7.072 -8.793 -3.785 1.00 74.20 H new ATOM 0 HE3 LYS A 35 -8.249 -9.947 -3.191 1.00 74.20 H new ATOM 0 HZ1 LYS A 35 -9.374 -8.046 -2.822 1.00 64.13 H new ATOM 0 HZ2 LYS A 35 -8.534 -8.097 -1.347 1.00 64.13 H new ATOM 0 HZ3 LYS A 35 -7.979 -7.102 -2.606 1.00 64.13 H new ATOM 562 N ASN A 36 -2.678 -9.808 2.057 1.00 63.50 N ATOM 563 CA ASN A 36 -1.359 -10.191 2.603 1.00 32.23 C ATOM 564 C ASN A 36 -1.495 -11.433 3.512 1.00 20.10 C ATOM 565 O ASN A 36 -0.674 -12.354 3.438 1.00 24.12 O ATOM 566 CB ASN A 36 -0.732 -8.991 3.383 1.00 72.41 C ATOM 567 CG ASN A 36 0.784 -9.107 3.602 1.00 4.24 C ATOM 568 OD1 ASN A 36 1.516 -9.640 2.764 1.00 25.53 O ATOM 569 ND2 ASN A 36 1.263 -8.603 4.723 1.00 64.03 N ATOM 0 H ASN A 36 -3.016 -8.913 2.410 1.00 63.50 H new ATOM 0 HA ASN A 36 -0.694 -10.447 1.778 1.00 32.23 H new ATOM 0 HB2 ASN A 36 -0.940 -8.070 2.839 1.00 72.41 H new ATOM 0 HB3 ASN A 36 -1.223 -8.906 4.353 1.00 72.41 H new ATOM 0 HD21 ASN A 36 2.264 -8.648 4.916 1.00 64.03 H new ATOM 0 HD22 ASN A 36 0.633 -8.168 5.397 1.00 64.03 H new ATOM 576 N LYS A 37 -2.564 -11.451 4.348 1.00 11.21 N ATOM 577 CA LYS A 37 -2.889 -12.605 5.229 1.00 13.11 C ATOM 578 C LYS A 37 -3.199 -13.855 4.392 1.00 51.25 C ATOM 579 O LYS A 37 -2.764 -14.963 4.713 1.00 54.31 O ATOM 580 CB LYS A 37 -4.132 -12.316 6.109 1.00 15.32 C ATOM 581 CG LYS A 37 -3.987 -11.177 7.133 1.00 14.41 C ATOM 582 CD LYS A 37 -5.287 -10.982 7.964 1.00 71.43 C ATOM 583 CE LYS A 37 -6.512 -10.653 7.081 1.00 41.13 C ATOM 584 NZ LYS A 37 -7.759 -10.490 7.871 1.00 51.02 N ATOM 0 H LYS A 37 -3.220 -10.675 4.431 1.00 11.21 H new ATOM 0 HA LYS A 37 -2.017 -12.770 5.862 1.00 13.11 H new ATOM 0 HB2 LYS A 37 -4.970 -12.082 5.452 1.00 15.32 H new ATOM 0 HB3 LYS A 37 -4.392 -13.228 6.645 1.00 15.32 H new ATOM 0 HG2 LYS A 37 -3.156 -11.394 7.804 1.00 14.41 H new ATOM 0 HG3 LYS A 37 -3.744 -10.250 6.614 1.00 14.41 H new ATOM 0 HD2 LYS A 37 -5.488 -11.888 8.535 1.00 71.43 H new ATOM 0 HD3 LYS A 37 -5.136 -10.178 8.684 1.00 71.43 H new ATOM 0 HE2 LYS A 37 -6.317 -9.737 6.523 1.00 41.13 H new ATOM 0 HE3 LYS A 37 -6.652 -11.448 6.349 1.00 41.13 H new ATOM 0 HZ1 LYS A 37 -8.499 -10.076 7.270 1.00 51.02 H new ATOM 0 HZ2 LYS A 37 -8.074 -11.418 8.218 1.00 51.02 H new ATOM 0 HZ3 LYS A 37 -7.578 -9.862 8.680 1.00 51.02 H new ATOM 598 N MET A 38 -3.956 -13.637 3.303 1.00 23.43 N ATOM 599 CA MET A 38 -4.449 -14.710 2.424 1.00 54.55 C ATOM 600 C MET A 38 -3.361 -15.183 1.438 1.00 63.31 C ATOM 601 O MET A 38 -3.622 -16.041 0.591 1.00 24.50 O ATOM 602 CB MET A 38 -5.728 -14.224 1.688 1.00 14.30 C ATOM 603 CG MET A 38 -6.871 -13.843 2.647 1.00 52.25 C ATOM 604 SD MET A 38 -8.417 -13.413 1.809 1.00 22.52 S ATOM 605 CE MET A 38 -7.982 -11.920 0.915 1.00 3.34 C ATOM 0 H MET A 38 -4.245 -12.705 3.006 1.00 23.43 H new ATOM 0 HA MET A 38 -4.705 -15.577 3.033 1.00 54.55 H new ATOM 0 HB2 MET A 38 -5.478 -13.362 1.070 1.00 14.30 H new ATOM 0 HB3 MET A 38 -6.073 -15.009 1.015 1.00 14.30 H new ATOM 0 HG2 MET A 38 -7.056 -14.676 3.325 1.00 52.25 H new ATOM 0 HG3 MET A 38 -6.553 -12.998 3.258 1.00 52.25 H new ATOM 0 HE1 MET A 38 -8.855 -11.551 0.376 1.00 3.34 H new ATOM 0 HE2 MET A 38 -7.642 -11.160 1.619 1.00 3.34 H new ATOM 0 HE3 MET A 38 -7.184 -12.140 0.206 1.00 3.34 H new ATOM 615 N GLY A 39 -2.148 -14.594 1.548 1.00 21.45 N ATOM 616 CA GLY A 39 -0.960 -15.081 0.849 1.00 73.41 C ATOM 617 C GLY A 39 -0.642 -14.304 -0.414 1.00 31.35 C ATOM 618 O GLY A 39 0.510 -14.297 -0.856 1.00 31.31 O ATOM 0 H GLY A 39 -1.977 -13.770 2.125 1.00 21.45 H new ATOM 0 HA2 GLY A 39 -0.105 -15.030 1.523 1.00 73.41 H new ATOM 0 HA3 GLY A 39 -1.103 -16.131 0.594 1.00 73.41 H new ATOM 622 N LYS A 40 -1.658 -13.648 -0.999 1.00 44.10 N ATOM 623 CA LYS A 40 -1.520 -12.921 -2.271 1.00 73.23 C ATOM 624 C LYS A 40 -0.924 -11.525 -2.025 1.00 44.41 C ATOM 625 O LYS A 40 -1.640 -10.513 -2.014 1.00 43.34 O ATOM 626 CB LYS A 40 -2.894 -12.844 -2.986 1.00 5.20 C ATOM 627 CG LYS A 40 -3.568 -14.223 -3.190 1.00 13.20 C ATOM 628 CD LYS A 40 -4.836 -14.158 -4.069 1.00 42.45 C ATOM 629 CE LYS A 40 -5.956 -13.295 -3.465 1.00 14.33 C ATOM 630 NZ LYS A 40 -7.049 -13.076 -4.447 1.00 71.44 N ATOM 0 H LYS A 40 -2.597 -13.607 -0.603 1.00 44.10 H new ATOM 0 HA LYS A 40 -0.833 -13.459 -2.924 1.00 73.23 H new ATOM 0 HB2 LYS A 40 -3.560 -12.206 -2.405 1.00 5.20 H new ATOM 0 HB3 LYS A 40 -2.762 -12.367 -3.957 1.00 5.20 H new ATOM 0 HG2 LYS A 40 -2.852 -14.906 -3.647 1.00 13.20 H new ATOM 0 HG3 LYS A 40 -3.829 -14.640 -2.217 1.00 13.20 H new ATOM 0 HD2 LYS A 40 -4.570 -13.761 -5.048 1.00 42.45 H new ATOM 0 HD3 LYS A 40 -5.212 -15.169 -4.227 1.00 42.45 H new ATOM 0 HE2 LYS A 40 -6.355 -13.781 -2.575 1.00 14.33 H new ATOM 0 HE3 LYS A 40 -5.549 -12.335 -3.148 1.00 14.33 H new ATOM 0 HZ1 LYS A 40 -7.776 -12.463 -4.026 1.00 71.44 H new ATOM 0 HZ2 LYS A 40 -6.664 -12.622 -5.300 1.00 71.44 H new ATOM 0 HZ3 LYS A 40 -7.473 -13.990 -4.704 1.00 71.44 H new ATOM 644 N ALA A 41 0.395 -11.492 -1.791 1.00 73.11 N ATOM 645 CA ALA A 41 1.104 -10.268 -1.409 1.00 24.35 C ATOM 646 C ALA A 41 1.488 -9.403 -2.625 1.00 3.13 C ATOM 647 O ALA A 41 2.026 -8.314 -2.443 1.00 11.44 O ATOM 648 CB ALA A 41 2.305 -10.614 -0.525 1.00 22.54 C ATOM 0 H ALA A 41 0.997 -12.312 -1.862 1.00 73.11 H new ATOM 0 HA ALA A 41 0.423 -9.649 -0.824 1.00 24.35 H new ATOM 0 HB1 ALA A 41 2.827 -9.699 -0.245 1.00 22.54 H new ATOM 0 HB2 ALA A 41 1.960 -11.124 0.374 1.00 22.54 H new ATOM 0 HB3 ALA A 41 2.985 -11.266 -1.074 1.00 22.54 H new ATOM 654 N ARG A 42 1.228 -9.891 -3.869 1.00 25.54 N ATOM 655 CA ARG A 42 1.267 -9.032 -5.079 1.00 43.40 C ATOM 656 C ARG A 42 0.049 -8.110 -5.102 1.00 40.14 C ATOM 657 O ARG A 42 0.162 -6.914 -5.392 1.00 62.32 O ATOM 658 CB ARG A 42 1.322 -9.844 -6.405 1.00 52.45 C ATOM 659 CG ARG A 42 2.723 -10.382 -6.739 1.00 33.22 C ATOM 660 CD ARG A 42 2.931 -10.621 -8.235 1.00 22.35 C ATOM 661 NE ARG A 42 2.150 -11.757 -8.769 1.00 12.33 N ATOM 662 CZ ARG A 42 1.697 -11.858 -10.033 1.00 64.31 C ATOM 663 NH1 ARG A 42 1.914 -10.892 -10.926 1.00 71.33 N ATOM 664 NH2 ARG A 42 1.033 -12.944 -10.404 1.00 52.12 N ATOM 0 H ARG A 42 0.992 -10.865 -4.056 1.00 25.54 H new ATOM 0 HA ARG A 42 2.188 -8.451 -5.018 1.00 43.40 H new ATOM 0 HB2 ARG A 42 0.627 -10.681 -6.338 1.00 52.45 H new ATOM 0 HB3 ARG A 42 0.980 -9.211 -7.224 1.00 52.45 H new ATOM 0 HG2 ARG A 42 3.472 -9.675 -6.382 1.00 33.22 H new ATOM 0 HG3 ARG A 42 2.885 -11.316 -6.202 1.00 33.22 H new ATOM 0 HD2 ARG A 42 2.659 -9.717 -8.780 1.00 22.35 H new ATOM 0 HD3 ARG A 42 3.990 -10.800 -8.422 1.00 22.35 H new ATOM 0 HE ARG A 42 1.938 -12.524 -8.130 1.00 12.33 H new ATOM 0 HH11 ARG A 42 2.432 -10.056 -10.657 1.00 71.33 H new ATOM 0 HH12 ARG A 42 1.562 -10.989 -11.878 1.00 71.33 H new ATOM 0 HH21 ARG A 42 0.869 -13.695 -9.734 1.00 52.12 H new ATOM 0 HH22 ARG A 42 0.686 -13.028 -11.360 1.00 52.12 H new ATOM 678 N GLU A 43 -1.122 -8.708 -4.810 1.00 45.14 N ATOM 679 CA GLU A 43 -2.384 -7.971 -4.690 1.00 24.34 C ATOM 680 C GLU A 43 -2.323 -7.028 -3.474 1.00 62.24 C ATOM 681 O GLU A 43 -2.764 -5.888 -3.564 1.00 24.02 O ATOM 682 CB GLU A 43 -3.595 -8.938 -4.644 1.00 43.02 C ATOM 683 CG GLU A 43 -3.787 -9.728 -5.961 1.00 44.43 C ATOM 684 CD GLU A 43 -5.066 -10.583 -6.001 1.00 63.30 C ATOM 685 OE1 GLU A 43 -6.145 -10.073 -5.655 1.00 41.31 O ATOM 686 OE2 GLU A 43 -5.007 -11.761 -6.408 1.00 3.13 O ATOM 0 H GLU A 43 -1.214 -9.711 -4.652 1.00 45.14 H new ATOM 0 HA GLU A 43 -2.527 -7.353 -5.576 1.00 24.34 H new ATOM 0 HB2 GLU A 43 -3.461 -9.640 -3.821 1.00 43.02 H new ATOM 0 HB3 GLU A 43 -4.500 -8.369 -4.433 1.00 43.02 H new ATOM 0 HG2 GLU A 43 -3.807 -9.025 -6.794 1.00 44.43 H new ATOM 0 HG3 GLU A 43 -2.924 -10.377 -6.112 1.00 44.43 H new ATOM 693 N ALA A 44 -1.699 -7.488 -2.371 1.00 72.23 N ATOM 694 CA ALA A 44 -1.415 -6.633 -1.201 1.00 44.20 C ATOM 695 C ALA A 44 -0.570 -5.421 -1.618 1.00 24.10 C ATOM 696 O ALA A 44 -0.942 -4.277 -1.348 1.00 20.14 O ATOM 697 CB ALA A 44 -0.707 -7.432 -0.100 1.00 71.52 C ATOM 0 H ALA A 44 -1.381 -8.451 -2.266 1.00 72.23 H new ATOM 0 HA ALA A 44 -2.363 -6.274 -0.801 1.00 44.20 H new ATOM 0 HB1 ALA A 44 -0.508 -6.781 0.751 1.00 71.52 H new ATOM 0 HB2 ALA A 44 -1.343 -8.259 0.216 1.00 71.52 H new ATOM 0 HB3 ALA A 44 0.234 -7.825 -0.484 1.00 71.52 H new ATOM 703 N ALA A 45 0.523 -5.714 -2.347 1.00 12.55 N ATOM 704 CA ALA A 45 1.504 -4.719 -2.809 1.00 64.32 C ATOM 705 C ALA A 45 0.863 -3.601 -3.661 1.00 75.43 C ATOM 706 O ALA A 45 1.146 -2.420 -3.447 1.00 73.25 O ATOM 707 CB ALA A 45 2.609 -5.423 -3.613 1.00 63.21 C ATOM 0 H ALA A 45 0.751 -6.665 -2.635 1.00 12.55 H new ATOM 0 HA ALA A 45 1.926 -4.242 -1.924 1.00 64.32 H new ATOM 0 HB1 ALA A 45 3.336 -4.686 -3.955 1.00 63.21 H new ATOM 0 HB2 ALA A 45 3.107 -6.157 -2.980 1.00 63.21 H new ATOM 0 HB3 ALA A 45 2.168 -5.925 -4.474 1.00 63.21 H new ATOM 713 N GLU A 46 -0.002 -3.988 -4.623 1.00 20.12 N ATOM 714 CA GLU A 46 -0.627 -3.030 -5.564 1.00 33.22 C ATOM 715 C GLU A 46 -1.663 -2.144 -4.869 1.00 75.34 C ATOM 716 O GLU A 46 -1.824 -0.987 -5.232 1.00 22.41 O ATOM 717 CB GLU A 46 -1.237 -3.761 -6.789 1.00 4.23 C ATOM 718 CG GLU A 46 -2.382 -4.733 -6.460 1.00 73.31 C ATOM 719 CD GLU A 46 -2.909 -5.544 -7.652 1.00 24.23 C ATOM 720 OE1 GLU A 46 -2.096 -5.985 -8.497 1.00 11.33 O ATOM 721 OE2 GLU A 46 -4.138 -5.756 -7.748 1.00 65.33 O ATOM 0 H GLU A 46 -0.284 -4.957 -4.769 1.00 20.12 H new ATOM 0 HA GLU A 46 0.163 -2.374 -5.929 1.00 33.22 H new ATOM 0 HB2 GLU A 46 -1.605 -3.014 -7.493 1.00 4.23 H new ATOM 0 HB3 GLU A 46 -0.445 -4.313 -7.295 1.00 4.23 H new ATOM 0 HG2 GLU A 46 -2.040 -5.426 -5.691 1.00 73.31 H new ATOM 0 HG3 GLU A 46 -3.209 -4.165 -6.033 1.00 73.31 H new ATOM 728 N TYR A 47 -2.355 -2.692 -3.854 1.00 75.23 N ATOM 729 CA TYR A 47 -3.314 -1.912 -3.041 1.00 75.21 C ATOM 730 C TYR A 47 -2.580 -0.904 -2.154 1.00 1.32 C ATOM 731 O TYR A 47 -3.070 0.209 -1.948 1.00 23.24 O ATOM 732 CB TYR A 47 -4.214 -2.829 -2.190 1.00 10.24 C ATOM 733 CG TYR A 47 -5.226 -3.634 -3.013 1.00 44.25 C ATOM 734 CD1 TYR A 47 -6.037 -3.017 -3.968 1.00 65.23 C ATOM 735 CD2 TYR A 47 -5.386 -5.002 -2.832 1.00 13.31 C ATOM 736 CE1 TYR A 47 -6.950 -3.738 -4.705 1.00 32.32 C ATOM 737 CE2 TYR A 47 -6.290 -5.722 -3.571 1.00 54.13 C ATOM 738 CZ TYR A 47 -7.072 -5.092 -4.498 1.00 0.15 C ATOM 739 OH TYR A 47 -7.982 -5.822 -5.220 1.00 61.40 O ATOM 0 H TYR A 47 -2.270 -3.670 -3.575 1.00 75.23 H new ATOM 0 HA TYR A 47 -3.957 -1.364 -3.730 1.00 75.21 H new ATOM 0 HB2 TYR A 47 -3.586 -3.519 -1.627 1.00 10.24 H new ATOM 0 HB3 TYR A 47 -4.752 -2.222 -1.462 1.00 10.24 H new ATOM 0 HD1 TYR A 47 -5.946 -1.953 -4.132 1.00 65.23 H new ATOM 0 HD2 TYR A 47 -4.785 -5.510 -2.093 1.00 13.31 H new ATOM 0 HE1 TYR A 47 -7.566 -3.243 -5.441 1.00 32.32 H new ATOM 0 HE2 TYR A 47 -6.384 -6.787 -3.420 1.00 54.13 H new ATOM 0 HH TYR A 47 -7.936 -6.763 -4.949 1.00 61.40 H new ATOM 749 N PHE A 48 -1.405 -1.309 -1.637 1.00 51.24 N ATOM 750 CA PHE A 48 -0.526 -0.421 -0.852 1.00 32.12 C ATOM 751 C PHE A 48 0.061 0.689 -1.740 1.00 44.54 C ATOM 752 O PHE A 48 0.303 1.793 -1.260 1.00 23.32 O ATOM 753 CB PHE A 48 0.632 -1.215 -0.185 1.00 51.04 C ATOM 754 CG PHE A 48 0.210 -2.291 0.815 1.00 22.44 C ATOM 755 CD1 PHE A 48 -0.931 -2.144 1.590 1.00 4.11 C ATOM 756 CD2 PHE A 48 0.979 -3.444 0.998 1.00 61.14 C ATOM 757 CE1 PHE A 48 -1.296 -3.100 2.506 1.00 33.11 C ATOM 758 CE2 PHE A 48 0.610 -4.409 1.916 1.00 44.14 C ATOM 759 CZ PHE A 48 -0.528 -4.236 2.671 1.00 2.40 C ATOM 0 H PHE A 48 -1.040 -2.255 -1.750 1.00 51.24 H new ATOM 0 HA PHE A 48 -1.137 0.029 -0.069 1.00 32.12 H new ATOM 0 HB2 PHE A 48 1.223 -1.687 -0.970 1.00 51.04 H new ATOM 0 HB3 PHE A 48 1.286 -0.508 0.325 1.00 51.04 H new ATOM 0 HD1 PHE A 48 -1.543 -1.262 1.471 1.00 4.11 H new ATOM 0 HD2 PHE A 48 1.876 -3.583 0.413 1.00 61.14 H new ATOM 0 HE1 PHE A 48 -2.188 -2.963 3.100 1.00 33.11 H new ATOM 0 HE2 PHE A 48 1.213 -5.296 2.041 1.00 44.14 H new ATOM 0 HZ PHE A 48 -0.820 -4.987 3.391 1.00 2.40 H new ATOM 769 N PHE A 49 0.285 0.368 -3.034 1.00 32.11 N ATOM 770 CA PHE A 49 0.882 1.300 -4.005 1.00 0.43 C ATOM 771 C PHE A 49 -0.120 2.365 -4.436 1.00 23.21 C ATOM 772 O PHE A 49 0.185 3.556 -4.395 1.00 33.33 O ATOM 773 CB PHE A 49 1.408 0.548 -5.255 1.00 32.44 C ATOM 774 CG PHE A 49 2.173 1.449 -6.229 1.00 71.55 C ATOM 775 CD1 PHE A 49 3.254 2.209 -5.779 1.00 63.35 C ATOM 776 CD2 PHE A 49 1.837 1.532 -7.587 1.00 34.03 C ATOM 777 CE1 PHE A 49 3.965 3.012 -6.642 1.00 30.43 C ATOM 778 CE2 PHE A 49 2.561 2.340 -8.451 1.00 3.45 C ATOM 779 CZ PHE A 49 3.627 3.082 -7.975 1.00 72.24 C ATOM 0 H PHE A 49 0.056 -0.544 -3.430 1.00 32.11 H new ATOM 0 HA PHE A 49 1.721 1.786 -3.507 1.00 0.43 H new ATOM 0 HB2 PHE A 49 2.060 -0.264 -4.934 1.00 32.44 H new ATOM 0 HB3 PHE A 49 0.566 0.093 -5.777 1.00 32.44 H new ATOM 0 HD1 PHE A 49 3.537 2.166 -4.738 1.00 63.35 H new ATOM 0 HD2 PHE A 49 1.003 0.959 -7.966 1.00 34.03 H new ATOM 0 HE1 PHE A 49 4.796 3.593 -6.270 1.00 30.43 H new ATOM 0 HE2 PHE A 49 2.292 2.390 -9.496 1.00 3.45 H new ATOM 0 HZ PHE A 49 4.191 3.713 -8.646 1.00 72.24 H new ATOM 789 N ARG A 50 -1.304 1.912 -4.870 1.00 20.23 N ATOM 790 CA ARG A 50 -2.381 2.794 -5.347 1.00 33.22 C ATOM 791 C ARG A 50 -2.882 3.695 -4.203 1.00 34.22 C ATOM 792 O ARG A 50 -3.278 4.843 -4.435 1.00 63.53 O ATOM 793 CB ARG A 50 -3.539 1.953 -5.928 1.00 52.22 C ATOM 794 CG ARG A 50 -3.174 1.068 -7.146 1.00 42.34 C ATOM 795 CD ARG A 50 -4.346 0.149 -7.558 1.00 3.11 C ATOM 796 NE ARG A 50 -5.550 0.921 -7.912 1.00 51.40 N ATOM 797 CZ ARG A 50 -6.824 0.573 -7.666 1.00 22.22 C ATOM 798 NH1 ARG A 50 -7.127 -0.573 -7.054 1.00 62.02 N ATOM 799 NH2 ARG A 50 -7.795 1.408 -8.019 1.00 51.45 N ATOM 0 H ARG A 50 -1.544 0.921 -4.901 1.00 20.23 H new ATOM 0 HA ARG A 50 -1.988 3.433 -6.138 1.00 33.22 H new ATOM 0 HB2 ARG A 50 -3.930 1.311 -5.139 1.00 52.22 H new ATOM 0 HB3 ARG A 50 -4.344 2.627 -6.219 1.00 52.22 H new ATOM 0 HG2 ARG A 50 -2.897 1.703 -7.987 1.00 42.34 H new ATOM 0 HG3 ARG A 50 -2.302 0.460 -6.905 1.00 42.34 H new ATOM 0 HD2 ARG A 50 -4.045 -0.465 -8.407 1.00 3.11 H new ATOM 0 HD3 ARG A 50 -4.579 -0.532 -6.739 1.00 3.11 H new ATOM 0 HE ARG A 50 -5.401 1.809 -8.392 1.00 51.40 H new ATOM 0 HH11 ARG A 50 -6.383 -1.207 -6.762 1.00 62.02 H new ATOM 0 HH12 ARG A 50 -8.102 -0.815 -6.878 1.00 62.02 H new ATOM 0 HH21 ARG A 50 -7.567 2.295 -8.468 1.00 51.45 H new ATOM 0 HH22 ARG A 50 -8.769 1.162 -7.841 1.00 51.45 H new ATOM 813 N ALA A 51 -2.850 3.153 -2.968 1.00 75.30 N ATOM 814 CA ALA A 51 -3.130 3.920 -1.751 1.00 4.35 C ATOM 815 C ALA A 51 -2.024 4.964 -1.528 1.00 44.13 C ATOM 816 O ALA A 51 -2.319 6.130 -1.279 1.00 40.10 O ATOM 817 CB ALA A 51 -3.250 2.977 -0.546 1.00 65.22 C ATOM 0 H ALA A 51 -2.629 2.173 -2.794 1.00 75.30 H new ATOM 0 HA ALA A 51 -4.079 4.443 -1.865 1.00 4.35 H new ATOM 0 HB1 ALA A 51 -3.458 3.559 0.352 1.00 65.22 H new ATOM 0 HB2 ALA A 51 -4.062 2.270 -0.717 1.00 65.22 H new ATOM 0 HB3 ALA A 51 -2.315 2.431 -0.416 1.00 65.22 H new ATOM 823 N ALA A 52 -0.748 4.521 -1.656 1.00 51.34 N ATOM 824 CA ALA A 52 0.447 5.378 -1.466 1.00 64.11 C ATOM 825 C ALA A 52 0.492 6.545 -2.473 1.00 74.03 C ATOM 826 O ALA A 52 1.056 7.597 -2.167 1.00 5.24 O ATOM 827 CB ALA A 52 1.740 4.554 -1.539 1.00 35.12 C ATOM 0 H ALA A 52 -0.520 3.556 -1.895 1.00 51.34 H new ATOM 0 HA ALA A 52 0.368 5.809 -0.468 1.00 64.11 H new ATOM 0 HB1 ALA A 52 2.598 5.210 -1.396 1.00 35.12 H new ATOM 0 HB2 ALA A 52 1.731 3.793 -0.759 1.00 35.12 H new ATOM 0 HB3 ALA A 52 1.810 4.072 -2.514 1.00 35.12 H new ATOM 833 N ILE A 53 -0.083 6.329 -3.680 1.00 33.03 N ATOM 834 CA ILE A 53 -0.263 7.392 -4.689 1.00 21.33 C ATOM 835 C ILE A 53 -1.145 8.507 -4.095 1.00 60.54 C ATOM 836 O ILE A 53 -0.728 9.659 -4.008 1.00 74.14 O ATOM 837 CB ILE A 53 -0.916 6.828 -6.021 1.00 1.52 C ATOM 838 CG1 ILE A 53 0.041 5.821 -6.742 1.00 54.43 C ATOM 839 CG2 ILE A 53 -1.321 7.974 -6.985 1.00 64.44 C ATOM 840 CD1 ILE A 53 -0.556 5.124 -7.959 1.00 62.31 C ATOM 0 H ILE A 53 -0.432 5.418 -3.977 1.00 33.03 H new ATOM 0 HA ILE A 53 0.717 7.792 -4.950 1.00 21.33 H new ATOM 0 HB ILE A 53 -1.821 6.293 -5.733 1.00 1.52 H new ATOM 0 HG12 ILE A 53 0.939 6.355 -7.052 1.00 54.43 H new ATOM 0 HG13 ILE A 53 0.353 5.062 -6.024 1.00 54.43 H new ATOM 0 HG21 ILE A 53 -1.765 7.551 -7.886 1.00 64.44 H new ATOM 0 HG22 ILE A 53 -2.046 8.623 -6.494 1.00 64.44 H new ATOM 0 HG23 ILE A 53 -0.437 8.553 -7.253 1.00 64.44 H new ATOM 0 HD11 ILE A 53 0.182 4.447 -8.389 1.00 62.31 H new ATOM 0 HD12 ILE A 53 -1.436 4.556 -7.658 1.00 62.31 H new ATOM 0 HD13 ILE A 53 -0.841 5.869 -8.702 1.00 62.31 H new ATOM 852 N VAL A 54 -2.331 8.110 -3.607 1.00 51.15 N ATOM 853 CA VAL A 54 -3.341 9.031 -3.052 1.00 43.41 C ATOM 854 C VAL A 54 -2.795 9.769 -1.806 1.00 63.22 C ATOM 855 O VAL A 54 -3.091 10.954 -1.597 1.00 13.01 O ATOM 856 CB VAL A 54 -4.664 8.247 -2.707 1.00 32.55 C ATOM 857 CG1 VAL A 54 -5.761 9.182 -2.145 1.00 2.54 C ATOM 858 CG2 VAL A 54 -5.172 7.484 -3.955 1.00 41.14 C ATOM 0 H VAL A 54 -2.620 7.132 -3.586 1.00 51.15 H new ATOM 0 HA VAL A 54 -3.572 9.783 -3.807 1.00 43.41 H new ATOM 0 HB VAL A 54 -4.430 7.526 -1.924 1.00 32.55 H new ATOM 0 HG11 VAL A 54 -6.655 8.600 -1.921 1.00 2.54 H new ATOM 0 HG12 VAL A 54 -5.401 9.659 -1.234 1.00 2.54 H new ATOM 0 HG13 VAL A 54 -6.001 9.946 -2.884 1.00 2.54 H new ATOM 0 HG21 VAL A 54 -6.086 6.946 -3.705 1.00 41.14 H new ATOM 0 HG22 VAL A 54 -5.376 8.193 -4.757 1.00 41.14 H new ATOM 0 HG23 VAL A 54 -4.412 6.775 -4.282 1.00 41.14 H new ATOM 868 N PHE A 55 -1.958 9.062 -1.014 1.00 71.23 N ATOM 869 CA PHE A 55 -1.331 9.631 0.195 1.00 12.15 C ATOM 870 C PHE A 55 -0.309 10.709 -0.184 1.00 33.14 C ATOM 871 O PHE A 55 -0.368 11.816 0.326 1.00 75.42 O ATOM 872 CB PHE A 55 -0.642 8.537 1.056 1.00 34.20 C ATOM 873 CG PHE A 55 -1.558 7.404 1.521 1.00 14.23 C ATOM 874 CD1 PHE A 55 -2.923 7.608 1.742 1.00 64.11 C ATOM 875 CD2 PHE A 55 -1.049 6.123 1.734 1.00 24.11 C ATOM 876 CE1 PHE A 55 -3.725 6.573 2.159 1.00 65.34 C ATOM 877 CE2 PHE A 55 -1.859 5.092 2.155 1.00 23.33 C ATOM 878 CZ PHE A 55 -3.194 5.314 2.362 1.00 10.12 C ATOM 0 H PHE A 55 -1.702 8.091 -1.194 1.00 71.23 H new ATOM 0 HA PHE A 55 -2.127 10.080 0.789 1.00 12.15 H new ATOM 0 HB2 PHE A 55 0.178 8.107 0.481 1.00 34.20 H new ATOM 0 HB3 PHE A 55 -0.202 9.011 1.933 1.00 34.20 H new ATOM 0 HD1 PHE A 55 -3.351 8.587 1.584 1.00 64.11 H new ATOM 0 HD2 PHE A 55 0.001 5.936 1.565 1.00 24.11 H new ATOM 0 HE1 PHE A 55 -4.778 6.745 2.329 1.00 65.34 H new ATOM 0 HE2 PHE A 55 -1.442 4.110 2.322 1.00 23.33 H new ATOM 0 HZ PHE A 55 -3.832 4.504 2.684 1.00 10.12 H new ATOM 888 N TYR A 56 0.587 10.369 -1.123 1.00 35.30 N ATOM 889 CA TYR A 56 1.685 11.251 -1.556 1.00 65.15 C ATOM 890 C TYR A 56 1.161 12.548 -2.201 1.00 53.40 C ATOM 891 O TYR A 56 1.656 13.638 -1.900 1.00 74.44 O ATOM 892 CB TYR A 56 2.606 10.499 -2.549 1.00 40.11 C ATOM 893 CG TYR A 56 3.727 11.380 -3.106 1.00 55.50 C ATOM 894 CD1 TYR A 56 4.764 11.830 -2.282 1.00 71.40 C ATOM 895 CD2 TYR A 56 3.740 11.790 -4.444 1.00 5.15 C ATOM 896 CE1 TYR A 56 5.755 12.652 -2.762 1.00 4.42 C ATOM 897 CE2 TYR A 56 4.728 12.624 -4.922 1.00 12.02 C ATOM 898 CZ TYR A 56 5.744 13.039 -4.083 1.00 32.25 C ATOM 899 OH TYR A 56 6.733 13.875 -4.560 1.00 14.33 O ATOM 0 H TYR A 56 0.571 9.471 -1.606 1.00 35.30 H new ATOM 0 HA TYR A 56 2.253 11.531 -0.669 1.00 65.15 H new ATOM 0 HB2 TYR A 56 3.044 9.636 -2.048 1.00 40.11 H new ATOM 0 HB3 TYR A 56 2.006 10.117 -3.375 1.00 40.11 H new ATOM 0 HD1 TYR A 56 4.786 11.525 -1.246 1.00 71.40 H new ATOM 0 HD2 TYR A 56 2.964 11.448 -5.112 1.00 5.15 H new ATOM 0 HE1 TYR A 56 6.541 12.994 -2.104 1.00 4.42 H new ATOM 0 HE2 TYR A 56 4.708 12.952 -5.951 1.00 12.02 H new ATOM 0 HH TYR A 56 6.581 14.052 -5.512 1.00 14.33 H new ATOM 909 N LYS A 57 0.188 12.396 -3.112 1.00 2.33 N ATOM 910 CA LYS A 57 -0.486 13.518 -3.798 1.00 41.10 C ATOM 911 C LYS A 57 -1.108 14.506 -2.794 1.00 3.44 C ATOM 912 O LYS A 57 -0.998 15.729 -2.958 1.00 4.13 O ATOM 913 CB LYS A 57 -1.568 12.969 -4.786 1.00 21.01 C ATOM 914 CG LYS A 57 -1.043 12.653 -6.207 1.00 2.11 C ATOM 915 CD LYS A 57 0.103 11.605 -6.234 1.00 20.51 C ATOM 916 CE LYS A 57 0.678 11.368 -7.634 1.00 44.22 C ATOM 917 NZ LYS A 57 1.222 12.612 -8.234 1.00 21.24 N ATOM 0 H LYS A 57 -0.160 11.481 -3.399 1.00 2.33 H new ATOM 0 HA LYS A 57 0.264 14.068 -4.367 1.00 41.10 H new ATOM 0 HB2 LYS A 57 -2.000 12.062 -4.363 1.00 21.01 H new ATOM 0 HB3 LYS A 57 -2.373 13.700 -4.865 1.00 21.01 H new ATOM 0 HG2 LYS A 57 -1.870 12.289 -6.817 1.00 2.11 H new ATOM 0 HG3 LYS A 57 -0.690 13.576 -6.667 1.00 2.11 H new ATOM 0 HD2 LYS A 57 0.903 11.936 -5.572 1.00 20.51 H new ATOM 0 HD3 LYS A 57 -0.269 10.660 -5.837 1.00 20.51 H new ATOM 0 HE2 LYS A 57 1.467 10.618 -7.579 1.00 44.22 H new ATOM 0 HE3 LYS A 57 -0.101 10.965 -8.281 1.00 44.22 H new ATOM 0 HZ1 LYS A 57 1.763 12.377 -9.091 1.00 21.24 H new ATOM 0 HZ2 LYS A 57 0.438 13.249 -8.483 1.00 21.24 H new ATOM 0 HZ3 LYS A 57 1.846 13.084 -7.549 1.00 21.24 H new ATOM 931 N GLU A 58 -1.745 13.954 -1.749 1.00 65.50 N ATOM 932 CA GLU A 58 -2.374 14.752 -0.684 1.00 71.43 C ATOM 933 C GLU A 58 -1.374 15.117 0.435 1.00 73.24 C ATOM 934 O GLU A 58 -1.698 15.921 1.318 1.00 2.42 O ATOM 935 CB GLU A 58 -3.595 13.991 -0.110 1.00 11.13 C ATOM 936 CG GLU A 58 -4.762 13.843 -1.109 1.00 20.32 C ATOM 937 CD GLU A 58 -5.390 15.197 -1.507 1.00 63.33 C ATOM 938 OE1 GLU A 58 -6.198 15.731 -0.715 1.00 64.34 O ATOM 939 OE2 GLU A 58 -5.070 15.739 -2.591 1.00 54.45 O ATOM 0 H GLU A 58 -1.838 12.947 -1.619 1.00 65.50 H new ATOM 0 HA GLU A 58 -2.712 15.691 -1.122 1.00 71.43 H new ATOM 0 HB2 GLU A 58 -3.275 12.999 0.211 1.00 11.13 H new ATOM 0 HB3 GLU A 58 -3.953 14.513 0.777 1.00 11.13 H new ATOM 0 HG2 GLU A 58 -4.404 13.337 -2.006 1.00 20.32 H new ATOM 0 HG3 GLU A 58 -5.531 13.207 -0.670 1.00 20.32 H new ATOM 946 N HIS A 59 -0.172 14.523 0.372 1.00 32.52 N ATOM 947 CA HIS A 59 0.917 14.715 1.346 1.00 35.25 C ATOM 948 C HIS A 59 0.512 14.274 2.761 1.00 23.15 C ATOM 949 O HIS A 59 0.394 15.086 3.676 1.00 71.44 O ATOM 950 CB HIS A 59 1.522 16.152 1.290 1.00 11.54 C ATOM 951 CG HIS A 59 2.352 16.375 0.050 1.00 34.33 C ATOM 952 ND1 HIS A 59 3.725 16.238 0.031 1.00 65.25 N ATOM 953 CD2 HIS A 59 1.995 16.663 -1.222 1.00 22.20 C ATOM 954 CE1 HIS A 59 4.169 16.433 -1.189 1.00 21.23 C ATOM 955 NE2 HIS A 59 3.141 16.689 -1.968 1.00 21.12 N ATOM 0 H HIS A 59 0.077 13.878 -0.378 1.00 32.52 H new ATOM 0 HA HIS A 59 1.729 14.050 1.050 1.00 35.25 H new ATOM 0 HB2 HIS A 59 0.716 16.885 1.322 1.00 11.54 H new ATOM 0 HB3 HIS A 59 2.139 16.319 2.173 1.00 11.54 H new ATOM 0 HD1 HIS A 59 4.306 16.019 0.840 1.00 65.25 H new ATOM 0 HD2 HIS A 59 0.992 16.840 -1.582 1.00 22.20 H new ATOM 0 HE1 HIS A 59 5.202 16.390 -1.500 1.00 21.23 H new ATOM 964 N ASP A 60 0.205 12.976 2.870 1.00 22.10 N ATOM 965 CA ASP A 60 -0.110 12.283 4.124 1.00 12.13 C ATOM 966 C ASP A 60 1.003 11.266 4.388 1.00 62.13 C ATOM 967 O ASP A 60 0.920 10.119 3.949 1.00 44.53 O ATOM 968 CB ASP A 60 -1.489 11.583 4.013 1.00 42.34 C ATOM 969 CG ASP A 60 -1.878 10.761 5.263 1.00 31.42 C ATOM 970 OD1 ASP A 60 -1.919 11.332 6.379 1.00 23.41 O ATOM 971 OD2 ASP A 60 -2.145 9.546 5.137 1.00 22.45 O ATOM 0 H ASP A 60 0.168 12.358 2.059 1.00 22.10 H new ATOM 0 HA ASP A 60 -0.168 12.990 4.952 1.00 12.13 H new ATOM 0 HB2 ASP A 60 -2.255 12.338 3.834 1.00 42.34 H new ATOM 0 HB3 ASP A 60 -1.482 10.924 3.145 1.00 42.34 H new ATOM 976 N THR A 61 2.072 11.732 5.051 1.00 63.32 N ATOM 977 CA THR A 61 3.281 10.925 5.326 1.00 70.34 C ATOM 978 C THR A 61 2.980 9.791 6.336 1.00 21.11 C ATOM 979 O THR A 61 3.697 8.794 6.381 1.00 13.12 O ATOM 980 CB THR A 61 4.460 11.833 5.836 1.00 30.43 C ATOM 981 OG1 THR A 61 4.385 13.099 5.180 1.00 3.05 O ATOM 982 CG2 THR A 61 5.848 11.218 5.552 1.00 61.53 C ATOM 0 H THR A 61 2.127 12.683 5.415 1.00 63.32 H new ATOM 0 HA THR A 61 3.592 10.463 4.389 1.00 70.34 H new ATOM 0 HB THR A 61 4.352 11.932 6.916 1.00 30.43 H new ATOM 0 HG1 THR A 61 5.115 13.673 5.492 1.00 3.05 H new ATOM 0 HG21 THR A 61 6.625 11.886 5.924 1.00 61.53 H new ATOM 0 HG22 THR A 61 5.928 10.253 6.053 1.00 61.53 H new ATOM 0 HG23 THR A 61 5.972 11.080 4.478 1.00 61.53 H new ATOM 990 N ASP A 62 1.919 9.997 7.145 1.00 23.43 N ATOM 991 CA ASP A 62 1.383 9.010 8.107 1.00 71.24 C ATOM 992 C ASP A 62 1.001 7.708 7.377 1.00 3.03 C ATOM 993 O ASP A 62 1.522 6.620 7.688 1.00 25.20 O ATOM 994 CB ASP A 62 0.146 9.620 8.841 1.00 25.33 C ATOM 995 CG ASP A 62 -0.640 8.594 9.681 1.00 74.45 C ATOM 996 OD1 ASP A 62 -0.110 8.122 10.706 1.00 41.35 O ATOM 997 OD2 ASP A 62 -1.793 8.252 9.324 1.00 10.43 O ATOM 0 H ASP A 62 1.399 10.875 7.148 1.00 23.43 H new ATOM 0 HA ASP A 62 2.147 8.770 8.846 1.00 71.24 H new ATOM 0 HB2 ASP A 62 0.482 10.428 9.491 1.00 25.33 H new ATOM 0 HB3 ASP A 62 -0.523 10.062 8.102 1.00 25.33 H new ATOM 1002 N GLY A 63 0.106 7.855 6.386 1.00 44.32 N ATOM 1003 CA GLY A 63 -0.329 6.742 5.559 1.00 64.05 C ATOM 1004 C GLY A 63 0.736 6.287 4.577 1.00 72.53 C ATOM 1005 O GLY A 63 0.877 5.090 4.345 1.00 74.04 O ATOM 0 H GLY A 63 -0.327 8.746 6.145 1.00 44.32 H new ATOM 0 HA2 GLY A 63 -0.606 5.905 6.200 1.00 64.05 H new ATOM 0 HA3 GLY A 63 -1.224 7.032 5.009 1.00 64.05 H new ATOM 1009 N LEU A 64 1.475 7.257 3.996 1.00 50.42 N ATOM 1010 CA LEU A 64 2.488 7.000 2.946 1.00 1.34 C ATOM 1011 C LEU A 64 3.624 6.113 3.469 1.00 33.35 C ATOM 1012 O LEU A 64 4.023 5.169 2.795 1.00 51.35 O ATOM 1013 CB LEU A 64 3.048 8.347 2.413 1.00 53.44 C ATOM 1014 CG LEU A 64 4.146 8.270 1.293 1.00 0.32 C ATOM 1015 CD1 LEU A 64 3.614 7.642 -0.017 1.00 43.43 C ATOM 1016 CD2 LEU A 64 4.761 9.657 1.028 1.00 21.11 C ATOM 0 H LEU A 64 1.387 8.243 4.242 1.00 50.42 H new ATOM 0 HA LEU A 64 2.005 6.465 2.128 1.00 1.34 H new ATOM 0 HB2 LEU A 64 2.213 8.933 2.029 1.00 53.44 H new ATOM 0 HB3 LEU A 64 3.463 8.899 3.257 1.00 53.44 H new ATOM 0 HG LEU A 64 4.929 7.609 1.665 1.00 0.32 H new ATOM 0 HD11 LEU A 64 4.413 7.613 -0.757 1.00 43.43 H new ATOM 0 HD12 LEU A 64 3.266 6.628 0.181 1.00 43.43 H new ATOM 0 HD13 LEU A 64 2.788 8.242 -0.399 1.00 43.43 H new ATOM 0 HD21 LEU A 64 5.518 9.576 0.248 1.00 21.11 H new ATOM 0 HD22 LEU A 64 3.980 10.346 0.705 1.00 21.11 H new ATOM 0 HD23 LEU A 64 5.220 10.032 1.943 1.00 21.11 H new ATOM 1028 N ARG A 65 4.109 6.419 4.686 1.00 21.23 N ATOM 1029 CA ARG A 65 5.197 5.662 5.345 1.00 13.44 C ATOM 1030 C ARG A 65 4.738 4.234 5.649 1.00 5.34 C ATOM 1031 O ARG A 65 5.456 3.268 5.398 1.00 51.35 O ATOM 1032 CB ARG A 65 5.611 6.354 6.675 1.00 50.54 C ATOM 1033 CG ARG A 65 6.754 5.642 7.439 1.00 64.33 C ATOM 1034 CD ARG A 65 7.029 6.252 8.822 1.00 41.23 C ATOM 1035 NE ARG A 65 8.107 5.541 9.536 1.00 53.34 N ATOM 1036 CZ ARG A 65 8.293 5.540 10.865 1.00 13.12 C ATOM 1037 NH1 ARG A 65 7.482 6.214 11.672 1.00 14.44 N ATOM 1038 NH2 ARG A 65 9.313 4.875 11.380 1.00 41.33 N ATOM 0 H ARG A 65 3.759 7.198 5.244 1.00 21.23 H new ATOM 0 HA ARG A 65 6.051 5.636 4.669 1.00 13.44 H new ATOM 0 HB2 ARG A 65 5.918 7.377 6.458 1.00 50.54 H new ATOM 0 HB3 ARG A 65 4.739 6.415 7.326 1.00 50.54 H new ATOM 0 HG2 ARG A 65 6.502 4.588 7.557 1.00 64.33 H new ATOM 0 HG3 ARG A 65 7.665 5.687 6.842 1.00 64.33 H new ATOM 0 HD2 ARG A 65 7.301 7.301 8.708 1.00 41.23 H new ATOM 0 HD3 ARG A 65 6.118 6.222 9.419 1.00 41.23 H new ATOM 0 HE ARG A 65 8.766 5.005 8.972 1.00 53.34 H new ATOM 0 HH11 ARG A 65 6.702 6.744 11.284 1.00 14.44 H new ATOM 0 HH12 ARG A 65 7.639 6.201 12.680 1.00 14.44 H new ATOM 0 HH21 ARG A 65 9.952 4.367 10.768 1.00 41.33 H new ATOM 0 HH22 ARG A 65 9.461 4.870 12.389 1.00 41.33 H new ATOM 1052 N ARG A 66 3.517 4.143 6.190 1.00 51.42 N ATOM 1053 CA ARG A 66 2.908 2.888 6.643 1.00 74.13 C ATOM 1054 C ARG A 66 2.568 1.967 5.447 1.00 32.22 C ATOM 1055 O ARG A 66 2.674 0.737 5.554 1.00 75.03 O ATOM 1056 CB ARG A 66 1.664 3.252 7.491 1.00 40.23 C ATOM 1057 CG ARG A 66 0.870 2.068 8.070 1.00 75.50 C ATOM 1058 CD ARG A 66 -0.271 2.516 9.001 1.00 24.45 C ATOM 1059 NE ARG A 66 -1.176 3.507 8.367 1.00 52.02 N ATOM 1060 CZ ARG A 66 -1.334 4.783 8.774 1.00 23.53 C ATOM 1061 NH1 ARG A 66 -0.651 5.255 9.811 1.00 63.25 N ATOM 1062 NH2 ARG A 66 -2.168 5.588 8.129 1.00 73.14 N ATOM 0 H ARG A 66 2.914 4.954 6.327 1.00 51.42 H new ATOM 0 HA ARG A 66 3.606 2.319 7.257 1.00 74.13 H new ATOM 0 HB2 ARG A 66 1.985 3.886 8.317 1.00 40.23 H new ATOM 0 HB3 ARG A 66 0.991 3.848 6.875 1.00 40.23 H new ATOM 0 HG2 ARG A 66 0.456 1.479 7.252 1.00 75.50 H new ATOM 0 HG3 ARG A 66 1.548 1.416 8.621 1.00 75.50 H new ATOM 0 HD2 ARG A 66 -0.850 1.644 9.304 1.00 24.45 H new ATOM 0 HD3 ARG A 66 0.154 2.947 9.908 1.00 24.45 H new ATOM 0 HE ARG A 66 -1.720 3.199 7.561 1.00 52.02 H new ATOM 0 HH11 ARG A 66 0.002 4.650 10.309 1.00 63.25 H new ATOM 0 HH12 ARG A 66 -0.780 6.222 10.109 1.00 63.25 H new ATOM 0 HH21 ARG A 66 -2.691 5.242 7.324 1.00 73.14 H new ATOM 0 HH22 ARG A 66 -2.287 6.553 8.438 1.00 73.14 H new ATOM 1076 N ALA A 67 2.191 2.590 4.311 1.00 63.41 N ATOM 1077 CA ALA A 67 1.894 1.886 3.047 1.00 70.54 C ATOM 1078 C ALA A 67 3.189 1.440 2.363 1.00 50.22 C ATOM 1079 O ALA A 67 3.260 0.331 1.846 1.00 11.31 O ATOM 1080 CB ALA A 67 1.066 2.774 2.105 1.00 71.01 C ATOM 0 H ALA A 67 2.084 3.602 4.245 1.00 63.41 H new ATOM 0 HA ALA A 67 1.304 1.000 3.284 1.00 70.54 H new ATOM 0 HB1 ALA A 67 0.861 2.233 1.182 1.00 71.01 H new ATOM 0 HB2 ALA A 67 0.125 3.038 2.588 1.00 71.01 H new ATOM 0 HB3 ALA A 67 1.624 3.682 1.877 1.00 71.01 H new ATOM 1086 N ALA A 68 4.204 2.330 2.387 1.00 21.32 N ATOM 1087 CA ALA A 68 5.536 2.086 1.789 1.00 3.51 C ATOM 1088 C ALA A 68 6.253 0.922 2.478 1.00 22.14 C ATOM 1089 O ALA A 68 6.874 0.071 1.819 1.00 43.34 O ATOM 1090 CB ALA A 68 6.388 3.361 1.891 1.00 71.22 C ATOM 0 H ALA A 68 4.122 3.247 2.826 1.00 21.32 H new ATOM 0 HA ALA A 68 5.396 1.820 0.741 1.00 3.51 H new ATOM 0 HB1 ALA A 68 7.368 3.180 1.450 1.00 71.22 H new ATOM 0 HB2 ALA A 68 5.894 4.172 1.356 1.00 71.22 H new ATOM 0 HB3 ALA A 68 6.507 3.636 2.939 1.00 71.22 H new ATOM 1096 N LYS A 69 6.148 0.913 3.819 1.00 23.33 N ATOM 1097 CA LYS A 69 6.750 -0.108 4.671 1.00 62.10 C ATOM 1098 C LYS A 69 6.074 -1.456 4.423 1.00 11.12 C ATOM 1099 O LYS A 69 6.751 -2.429 4.103 1.00 12.02 O ATOM 1100 CB LYS A 69 6.627 0.294 6.171 1.00 65.11 C ATOM 1101 CG LYS A 69 7.301 -0.696 7.149 1.00 10.00 C ATOM 1102 CD LYS A 69 8.832 -0.814 6.922 1.00 4.30 C ATOM 1103 CE LYS A 69 9.481 -1.906 7.786 1.00 73.41 C ATOM 1104 NZ LYS A 69 9.265 -1.694 9.240 1.00 73.32 N ATOM 0 H LYS A 69 5.636 1.625 4.339 1.00 23.33 H new ATOM 0 HA LYS A 69 7.808 -0.194 4.425 1.00 62.10 H new ATOM 0 HB2 LYS A 69 7.069 1.281 6.309 1.00 65.11 H new ATOM 0 HB3 LYS A 69 5.571 0.379 6.428 1.00 65.11 H new ATOM 0 HG2 LYS A 69 7.114 -0.373 8.173 1.00 10.00 H new ATOM 0 HG3 LYS A 69 6.844 -1.679 7.036 1.00 10.00 H new ATOM 0 HD2 LYS A 69 9.023 -1.028 5.870 1.00 4.30 H new ATOM 0 HD3 LYS A 69 9.302 0.144 7.143 1.00 4.30 H new ATOM 0 HE2 LYS A 69 9.076 -2.877 7.501 1.00 73.41 H new ATOM 0 HE3 LYS A 69 10.552 -1.935 7.583 1.00 73.41 H new ATOM 0 HZ1 LYS A 69 9.752 -2.440 9.776 1.00 73.32 H new ATOM 0 HZ2 LYS A 69 9.645 -0.766 9.516 1.00 73.32 H new ATOM 0 HZ3 LYS A 69 8.247 -1.727 9.448 1.00 73.32 H new ATOM 1118 N SER A 70 4.728 -1.470 4.505 1.00 52.03 N ATOM 1119 CA SER A 70 3.930 -2.690 4.317 1.00 43.11 C ATOM 1120 C SER A 70 4.081 -3.248 2.891 1.00 3.43 C ATOM 1121 O SER A 70 3.975 -4.453 2.692 1.00 63.43 O ATOM 1122 CB SER A 70 2.448 -2.417 4.641 1.00 24.11 C ATOM 1123 OG SER A 70 1.913 -1.394 3.818 1.00 55.23 O ATOM 0 H SER A 70 4.170 -0.639 4.702 1.00 52.03 H new ATOM 0 HA SER A 70 4.306 -3.446 5.007 1.00 43.11 H new ATOM 0 HB2 SER A 70 1.871 -3.332 4.506 1.00 24.11 H new ATOM 0 HB3 SER A 70 2.351 -2.130 5.688 1.00 24.11 H new ATOM 0 HG SER A 70 2.108 -0.519 4.215 1.00 55.23 H new ATOM 1129 N LEU A 71 4.321 -2.341 1.917 1.00 52.21 N ATOM 1130 CA LEU A 71 4.542 -2.688 0.501 1.00 64.13 C ATOM 1131 C LEU A 71 5.823 -3.526 0.385 1.00 12.01 C ATOM 1132 O LEU A 71 5.802 -4.623 -0.166 1.00 50.20 O ATOM 1133 CB LEU A 71 4.632 -1.388 -0.378 1.00 44.53 C ATOM 1134 CG LEU A 71 3.883 -1.420 -1.748 1.00 71.12 C ATOM 1135 CD1 LEU A 71 3.897 -0.032 -2.397 1.00 71.34 C ATOM 1136 CD2 LEU A 71 4.444 -2.488 -2.706 1.00 2.54 C ATOM 0 H LEU A 71 4.366 -1.338 2.097 1.00 52.21 H new ATOM 0 HA LEU A 71 3.700 -3.274 0.132 1.00 64.13 H new ATOM 0 HB2 LEU A 71 4.241 -0.554 0.205 1.00 44.53 H new ATOM 0 HB3 LEU A 71 5.684 -1.178 -0.569 1.00 44.53 H new ATOM 0 HG LEU A 71 2.850 -1.702 -1.544 1.00 71.12 H new ATOM 0 HD11 LEU A 71 3.371 -0.071 -3.351 1.00 71.34 H new ATOM 0 HD12 LEU A 71 3.402 0.682 -1.739 1.00 71.34 H new ATOM 0 HD13 LEU A 71 4.928 0.281 -2.563 1.00 71.34 H new ATOM 0 HD21 LEU A 71 3.886 -2.466 -3.642 1.00 2.54 H new ATOM 0 HD22 LEU A 71 5.496 -2.282 -2.905 1.00 2.54 H new ATOM 0 HD23 LEU A 71 4.347 -3.473 -2.249 1.00 2.54 H new ATOM 1148 N LYS A 72 6.912 -2.997 0.969 1.00 52.31 N ATOM 1149 CA LYS A 72 8.247 -3.610 0.926 1.00 23.14 C ATOM 1150 C LYS A 72 8.296 -4.913 1.759 1.00 4.03 C ATOM 1151 O LYS A 72 8.993 -5.866 1.384 1.00 23.30 O ATOM 1152 CB LYS A 72 9.287 -2.546 1.388 1.00 22.25 C ATOM 1153 CG LYS A 72 10.791 -2.896 1.149 1.00 53.52 C ATOM 1154 CD LYS A 72 11.478 -3.617 2.342 1.00 2.34 C ATOM 1155 CE LYS A 72 11.602 -2.715 3.589 1.00 23.45 C ATOM 1156 NZ LYS A 72 12.483 -1.548 3.359 1.00 23.01 N ATOM 0 H LYS A 72 6.887 -2.121 1.490 1.00 52.31 H new ATOM 0 HA LYS A 72 8.493 -3.914 -0.091 1.00 23.14 H new ATOM 0 HB2 LYS A 72 9.068 -1.609 0.875 1.00 22.25 H new ATOM 0 HB3 LYS A 72 9.143 -2.367 2.454 1.00 22.25 H new ATOM 0 HG2 LYS A 72 10.869 -3.528 0.264 1.00 53.52 H new ATOM 0 HG3 LYS A 72 11.336 -1.977 0.933 1.00 53.52 H new ATOM 0 HD2 LYS A 72 10.908 -4.510 2.599 1.00 2.34 H new ATOM 0 HD3 LYS A 72 12.471 -3.949 2.038 1.00 2.34 H new ATOM 0 HE2 LYS A 72 10.611 -2.366 3.881 1.00 23.45 H new ATOM 0 HE3 LYS A 72 11.992 -3.302 4.421 1.00 23.45 H new ATOM 0 HZ1 LYS A 72 12.779 -1.151 4.273 1.00 23.01 H new ATOM 0 HZ2 LYS A 72 13.323 -1.847 2.823 1.00 23.01 H new ATOM 0 HZ3 LYS A 72 11.967 -0.825 2.819 1.00 23.01 H new ATOM 1170 N GLU A 73 7.527 -4.956 2.866 1.00 43.41 N ATOM 1171 CA GLU A 73 7.375 -6.179 3.677 1.00 10.14 C ATOM 1172 C GLU A 73 6.558 -7.228 2.903 1.00 52.41 C ATOM 1173 O GLU A 73 6.789 -8.430 3.041 1.00 40.23 O ATOM 1174 CB GLU A 73 6.692 -5.877 5.040 1.00 31.30 C ATOM 1175 CG GLU A 73 7.443 -4.880 5.952 1.00 2.31 C ATOM 1176 CD GLU A 73 8.906 -5.270 6.236 1.00 25.22 C ATOM 1177 OE1 GLU A 73 9.144 -6.158 7.083 1.00 2.12 O ATOM 1178 OE2 GLU A 73 9.821 -4.689 5.605 1.00 60.41 O ATOM 0 H GLU A 73 7.001 -4.156 3.218 1.00 43.41 H new ATOM 0 HA GLU A 73 8.372 -6.571 3.879 1.00 10.14 H new ATOM 0 HB2 GLU A 73 5.693 -5.486 4.848 1.00 31.30 H new ATOM 0 HB3 GLU A 73 6.568 -6.815 5.581 1.00 31.30 H new ATOM 0 HG2 GLU A 73 7.424 -3.894 5.488 1.00 2.31 H new ATOM 0 HG3 GLU A 73 6.910 -4.797 6.899 1.00 2.31 H new ATOM 1185 N ALA A 74 5.599 -6.747 2.085 1.00 10.33 N ATOM 1186 CA ALA A 74 4.765 -7.607 1.240 1.00 54.41 C ATOM 1187 C ALA A 74 5.592 -8.232 0.110 1.00 60.35 C ATOM 1188 O ALA A 74 5.315 -9.352 -0.268 1.00 43.04 O ATOM 1189 CB ALA A 74 3.559 -6.837 0.676 1.00 54.52 C ATOM 0 H ALA A 74 5.386 -5.753 1.996 1.00 10.33 H new ATOM 0 HA ALA A 74 4.381 -8.413 1.865 1.00 54.41 H new ATOM 0 HB1 ALA A 74 2.961 -7.503 0.054 1.00 54.52 H new ATOM 0 HB2 ALA A 74 2.949 -6.463 1.498 1.00 54.52 H new ATOM 0 HB3 ALA A 74 3.911 -5.998 0.075 1.00 54.52 H new ATOM 1195 N ILE A 75 6.628 -7.508 -0.388 1.00 72.23 N ATOM 1196 CA ILE A 75 7.474 -7.968 -1.523 1.00 31.40 C ATOM 1197 C ILE A 75 8.190 -9.285 -1.195 1.00 31.23 C ATOM 1198 O ILE A 75 8.146 -10.233 -1.981 1.00 41.01 O ATOM 1199 CB ILE A 75 8.536 -6.892 -1.961 1.00 65.13 C ATOM 1200 CG1 ILE A 75 7.846 -5.547 -2.329 1.00 51.32 C ATOM 1201 CG2 ILE A 75 9.423 -7.401 -3.134 1.00 34.14 C ATOM 1202 CD1 ILE A 75 6.717 -5.651 -3.342 1.00 2.21 C ATOM 0 H ILE A 75 6.899 -6.597 -0.019 1.00 72.23 H new ATOM 0 HA ILE A 75 6.790 -8.128 -2.356 1.00 31.40 H new ATOM 0 HB ILE A 75 9.192 -6.717 -1.109 1.00 65.13 H new ATOM 0 HG12 ILE A 75 7.453 -5.098 -1.417 1.00 51.32 H new ATOM 0 HG13 ILE A 75 8.601 -4.865 -2.720 1.00 51.32 H new ATOM 0 HG21 ILE A 75 10.143 -6.630 -3.407 1.00 34.14 H new ATOM 0 HG22 ILE A 75 9.955 -8.301 -2.824 1.00 34.14 H new ATOM 0 HG23 ILE A 75 8.793 -7.630 -3.994 1.00 34.14 H new ATOM 0 HD11 ILE A 75 6.304 -4.660 -3.529 1.00 2.21 H new ATOM 0 HD12 ILE A 75 7.101 -6.066 -4.274 1.00 2.21 H new ATOM 0 HD13 ILE A 75 5.935 -6.302 -2.950 1.00 2.21 H new ATOM 1214 N THR A 76 8.841 -9.313 -0.033 1.00 64.41 N ATOM 1215 CA THR A 76 9.510 -10.516 0.484 1.00 44.22 C ATOM 1216 C THR A 76 8.483 -11.606 0.867 1.00 11.24 C ATOM 1217 O THR A 76 8.778 -12.801 0.820 1.00 33.42 O ATOM 1218 CB THR A 76 10.386 -10.144 1.720 1.00 43.53 C ATOM 1219 OG1 THR A 76 9.619 -9.315 2.611 1.00 2.45 O ATOM 1220 CG2 THR A 76 11.679 -9.414 1.314 1.00 12.40 C ATOM 0 H THR A 76 8.922 -8.503 0.581 1.00 64.41 H new ATOM 0 HA THR A 76 10.148 -10.918 -0.303 1.00 44.22 H new ATOM 0 HB THR A 76 10.676 -11.069 2.218 1.00 43.53 H new ATOM 0 HG1 THR A 76 10.165 -9.080 3.390 1.00 2.45 H new ATOM 0 HG21 THR A 76 12.257 -9.175 2.206 1.00 12.40 H new ATOM 0 HG22 THR A 76 12.269 -10.056 0.660 1.00 12.40 H new ATOM 0 HG23 THR A 76 11.427 -8.494 0.787 1.00 12.40 H new ATOM 1228 N ALA A 77 7.269 -11.161 1.234 1.00 64.40 N ATOM 1229 CA ALA A 77 6.151 -12.046 1.616 1.00 32.21 C ATOM 1230 C ALA A 77 5.390 -12.602 0.389 1.00 74.24 C ATOM 1231 O ALA A 77 4.509 -13.453 0.549 1.00 61.20 O ATOM 1232 CB ALA A 77 5.197 -11.289 2.551 1.00 1.51 C ATOM 0 H ALA A 77 7.033 -10.170 1.275 1.00 64.40 H new ATOM 0 HA ALA A 77 6.569 -12.908 2.136 1.00 32.21 H new ATOM 0 HB1 ALA A 77 4.371 -11.941 2.834 1.00 1.51 H new ATOM 0 HB2 ALA A 77 5.736 -10.977 3.446 1.00 1.51 H new ATOM 0 HB3 ALA A 77 4.806 -10.410 2.038 1.00 1.51 H new ATOM 1238 N ILE A 78 5.700 -12.095 -0.831 1.00 33.41 N ATOM 1239 CA ILE A 78 5.097 -12.605 -2.081 1.00 3.03 C ATOM 1240 C ILE A 78 5.573 -14.064 -2.327 1.00 12.21 C ATOM 1241 O ILE A 78 6.788 -14.318 -2.299 1.00 33.30 O ATOM 1242 CB ILE A 78 5.452 -11.720 -3.341 1.00 11.23 C ATOM 1243 CG1 ILE A 78 4.991 -10.243 -3.170 1.00 14.13 C ATOM 1244 CG2 ILE A 78 4.826 -12.320 -4.614 1.00 4.44 C ATOM 1245 CD1 ILE A 78 5.421 -9.280 -4.273 1.00 3.34 C ATOM 0 H ILE A 78 6.364 -11.334 -0.972 1.00 33.41 H new ATOM 0 HA ILE A 78 4.015 -12.566 -1.954 1.00 3.03 H new ATOM 0 HB ILE A 78 6.538 -11.719 -3.436 1.00 11.23 H new ATOM 0 HG12 ILE A 78 3.903 -10.227 -3.104 1.00 14.13 H new ATOM 0 HG13 ILE A 78 5.373 -9.871 -2.220 1.00 14.13 H new ATOM 0 HG21 ILE A 78 5.080 -11.698 -5.472 1.00 4.44 H new ATOM 0 HG22 ILE A 78 5.212 -13.328 -4.769 1.00 4.44 H new ATOM 0 HG23 ILE A 78 3.742 -12.359 -4.503 1.00 4.44 H new ATOM 0 HD11 ILE A 78 5.045 -8.281 -4.051 1.00 3.34 H new ATOM 0 HD12 ILE A 78 6.509 -9.254 -4.329 1.00 3.34 H new ATOM 0 HD13 ILE A 78 5.016 -9.616 -5.228 1.00 3.34 H new ATOM 1369 N GLU A 86 8.727 -7.033 -10.610 1.00 1.13 N ATOM 1370 CA GLU A 86 7.480 -6.297 -10.908 1.00 60.52 C ATOM 1371 C GLU A 86 7.055 -5.407 -9.719 1.00 13.22 C ATOM 1372 O GLU A 86 7.277 -4.191 -9.732 1.00 52.12 O ATOM 1373 CB GLU A 86 6.364 -7.322 -11.262 1.00 12.42 C ATOM 1374 CG GLU A 86 4.957 -6.723 -11.483 1.00 63.23 C ATOM 1375 CD GLU A 86 3.884 -7.803 -11.677 1.00 53.21 C ATOM 1376 OE1 GLU A 86 3.475 -8.412 -10.669 1.00 74.15 O ATOM 1377 OE2 GLU A 86 3.477 -8.076 -12.830 1.00 24.43 O ATOM 0 HA GLU A 86 7.650 -5.635 -11.757 1.00 60.52 H new ATOM 0 HB2 GLU A 86 6.659 -7.856 -12.165 1.00 12.42 H new ATOM 0 HB3 GLU A 86 6.304 -8.059 -10.461 1.00 12.42 H new ATOM 0 HG2 GLU A 86 4.692 -6.101 -10.628 1.00 63.23 H new ATOM 0 HG3 GLU A 86 4.976 -6.072 -12.357 1.00 63.23 H new ATOM 1384 N ALA A 87 6.475 -6.039 -8.676 1.00 20.11 N ATOM 1385 CA ALA A 87 5.820 -5.339 -7.549 1.00 53.55 C ATOM 1386 C ALA A 87 6.823 -4.576 -6.674 1.00 44.44 C ATOM 1387 O ALA A 87 6.458 -3.602 -6.005 1.00 43.34 O ATOM 1388 CB ALA A 87 5.000 -6.337 -6.712 1.00 12.11 C ATOM 0 H ALA A 87 6.448 -7.055 -8.591 1.00 20.11 H new ATOM 0 HA ALA A 87 5.146 -4.593 -7.970 1.00 53.55 H new ATOM 0 HB1 ALA A 87 4.522 -5.812 -5.885 1.00 12.11 H new ATOM 0 HB2 ALA A 87 4.237 -6.797 -7.339 1.00 12.11 H new ATOM 0 HB3 ALA A 87 5.660 -7.110 -6.318 1.00 12.11 H new ATOM 1394 N LYS A 88 8.079 -5.047 -6.676 1.00 13.00 N ATOM 1395 CA LYS A 88 9.175 -4.460 -5.892 1.00 51.11 C ATOM 1396 C LYS A 88 9.455 -3.004 -6.297 1.00 74.32 C ATOM 1397 O LYS A 88 9.818 -2.178 -5.457 1.00 75.35 O ATOM 1398 CB LYS A 88 10.447 -5.304 -6.060 1.00 32.20 C ATOM 1399 CG LYS A 88 11.632 -4.825 -5.197 1.00 51.01 C ATOM 1400 CD LYS A 88 12.803 -5.811 -5.231 1.00 61.13 C ATOM 1401 CE LYS A 88 13.969 -5.367 -4.343 1.00 53.32 C ATOM 1402 NZ LYS A 88 15.083 -6.354 -4.351 1.00 31.50 N ATOM 0 H LYS A 88 8.365 -5.855 -7.228 1.00 13.00 H new ATOM 0 HA LYS A 88 8.869 -4.458 -4.846 1.00 51.11 H new ATOM 0 HB2 LYS A 88 10.220 -6.340 -5.806 1.00 32.20 H new ATOM 0 HB3 LYS A 88 10.745 -5.290 -7.108 1.00 32.20 H new ATOM 0 HG2 LYS A 88 11.968 -3.851 -5.552 1.00 51.01 H new ATOM 0 HG3 LYS A 88 11.300 -4.692 -4.167 1.00 51.01 H new ATOM 0 HD2 LYS A 88 12.457 -6.793 -4.907 1.00 61.13 H new ATOM 0 HD3 LYS A 88 13.153 -5.919 -6.258 1.00 61.13 H new ATOM 0 HE2 LYS A 88 14.338 -4.401 -4.686 1.00 53.32 H new ATOM 0 HE3 LYS A 88 13.615 -5.229 -3.322 1.00 53.32 H new ATOM 0 HZ1 LYS A 88 15.851 -6.015 -3.738 1.00 31.50 H new ATOM 0 HZ2 LYS A 88 14.738 -7.270 -4.000 1.00 31.50 H new ATOM 0 HZ3 LYS A 88 15.439 -6.468 -5.321 1.00 31.50 H new ATOM 1416 N GLU A 89 9.277 -2.718 -7.598 1.00 44.43 N ATOM 1417 CA GLU A 89 9.466 -1.371 -8.163 1.00 71.54 C ATOM 1418 C GLU A 89 8.424 -0.387 -7.598 1.00 74.20 C ATOM 1419 O GLU A 89 8.697 0.809 -7.463 1.00 5.42 O ATOM 1420 CB GLU A 89 9.379 -1.437 -9.708 1.00 34.44 C ATOM 1421 CG GLU A 89 10.354 -2.445 -10.355 1.00 41.21 C ATOM 1422 CD GLU A 89 11.836 -2.166 -10.028 1.00 73.43 C ATOM 1423 OE1 GLU A 89 12.451 -1.311 -10.706 1.00 63.33 O ATOM 1424 OE2 GLU A 89 12.396 -2.803 -9.103 1.00 45.21 O ATOM 0 H GLU A 89 8.998 -3.415 -8.288 1.00 44.43 H new ATOM 0 HA GLU A 89 10.453 -1.006 -7.880 1.00 71.54 H new ATOM 0 HB2 GLU A 89 8.360 -1.701 -9.992 1.00 34.44 H new ATOM 0 HB3 GLU A 89 9.577 -0.445 -10.114 1.00 34.44 H new ATOM 0 HG2 GLU A 89 10.099 -3.451 -10.020 1.00 41.21 H new ATOM 0 HG3 GLU A 89 10.219 -2.426 -11.436 1.00 41.21 H new ATOM 1431 N MET A 90 7.237 -0.925 -7.274 1.00 42.23 N ATOM 1432 CA MET A 90 6.138 -0.163 -6.665 1.00 32.45 C ATOM 1433 C MET A 90 6.466 0.160 -5.197 1.00 63.14 C ATOM 1434 O MET A 90 6.203 1.272 -4.723 1.00 31.21 O ATOM 1435 CB MET A 90 4.813 -0.957 -6.763 1.00 15.24 C ATOM 1436 CG MET A 90 4.433 -1.406 -8.183 1.00 33.12 C ATOM 1437 SD MET A 90 2.735 -2.022 -8.293 1.00 54.13 S ATOM 1438 CE MET A 90 2.691 -3.295 -7.023 1.00 74.34 C ATOM 0 H MET A 90 7.013 -1.908 -7.429 1.00 42.23 H new ATOM 0 HA MET A 90 6.018 0.774 -7.208 1.00 32.45 H new ATOM 0 HB2 MET A 90 4.886 -1.838 -6.126 1.00 15.24 H new ATOM 0 HB3 MET A 90 4.007 -0.341 -6.364 1.00 15.24 H new ATOM 0 HG2 MET A 90 4.556 -0.568 -8.869 1.00 33.12 H new ATOM 0 HG3 MET A 90 5.120 -2.187 -8.508 1.00 33.12 H new ATOM 0 HE1 MET A 90 2.048 -4.113 -7.349 1.00 74.34 H new ATOM 0 HE2 MET A 90 3.699 -3.672 -6.851 1.00 74.34 H new ATOM 0 HE3 MET A 90 2.299 -2.873 -6.098 1.00 74.34 H new ATOM 1448 N ALA A 91 7.052 -0.831 -4.488 1.00 52.21 N ATOM 1449 CA ALA A 91 7.540 -0.655 -3.103 1.00 4.33 C ATOM 1450 C ALA A 91 8.631 0.406 -3.052 1.00 4.52 C ATOM 1451 O ALA A 91 8.622 1.280 -2.181 1.00 71.50 O ATOM 1452 CB ALA A 91 8.053 -1.984 -2.545 1.00 4.25 C ATOM 0 H ALA A 91 7.199 -1.770 -4.858 1.00 52.21 H new ATOM 0 HA ALA A 91 6.708 -0.320 -2.483 1.00 4.33 H new ATOM 0 HB1 ALA A 91 8.409 -1.837 -1.525 1.00 4.25 H new ATOM 0 HB2 ALA A 91 7.245 -2.715 -2.546 1.00 4.25 H new ATOM 0 HB3 ALA A 91 8.872 -2.348 -3.166 1.00 4.25 H new ATOM 1458 N LYS A 92 9.524 0.327 -4.051 1.00 2.43 N ATOM 1459 CA LYS A 92 10.640 1.244 -4.226 1.00 2.52 C ATOM 1460 C LYS A 92 10.104 2.671 -4.393 1.00 43.53 C ATOM 1461 O LYS A 92 10.536 3.574 -3.691 1.00 24.05 O ATOM 1462 CB LYS A 92 11.479 0.813 -5.463 1.00 25.34 C ATOM 1463 CG LYS A 92 12.747 1.658 -5.703 1.00 60.02 C ATOM 1464 CD LYS A 92 13.788 1.504 -4.571 1.00 0.23 C ATOM 1465 CE LYS A 92 15.002 2.421 -4.763 1.00 41.05 C ATOM 1466 NZ LYS A 92 15.998 2.221 -3.687 1.00 54.55 N ATOM 0 H LYS A 92 9.481 -0.395 -4.770 1.00 2.43 H new ATOM 0 HA LYS A 92 11.286 1.218 -3.349 1.00 2.52 H new ATOM 0 HB2 LYS A 92 11.771 -0.230 -5.342 1.00 25.34 H new ATOM 0 HB3 LYS A 92 10.848 0.867 -6.350 1.00 25.34 H new ATOM 0 HG2 LYS A 92 13.200 1.365 -6.650 1.00 60.02 H new ATOM 0 HG3 LYS A 92 12.468 2.708 -5.794 1.00 60.02 H new ATOM 0 HD2 LYS A 92 13.316 1.727 -3.614 1.00 0.23 H new ATOM 0 HD3 LYS A 92 14.123 0.468 -4.528 1.00 0.23 H new ATOM 0 HE2 LYS A 92 15.463 2.221 -5.730 1.00 41.05 H new ATOM 0 HE3 LYS A 92 14.677 3.461 -4.773 1.00 41.05 H new ATOM 0 HZ1 LYS A 92 16.808 2.854 -3.842 1.00 54.55 H new ATOM 0 HZ2 LYS A 92 15.563 2.435 -2.767 1.00 54.55 H new ATOM 0 HZ3 LYS A 92 16.324 1.233 -3.695 1.00 54.55 H new ATOM 1480 N LYS A 93 9.086 2.806 -5.272 1.00 32.24 N ATOM 1481 CA LYS A 93 8.433 4.087 -5.594 1.00 20.43 C ATOM 1482 C LYS A 93 7.807 4.732 -4.343 1.00 23.15 C ATOM 1483 O LYS A 93 7.961 5.931 -4.129 1.00 31.03 O ATOM 1484 CB LYS A 93 7.348 3.872 -6.703 1.00 10.35 C ATOM 1485 CG LYS A 93 7.805 4.196 -8.139 1.00 11.30 C ATOM 1486 CD LYS A 93 8.047 5.712 -8.335 1.00 31.00 C ATOM 1487 CE LYS A 93 8.582 6.058 -9.733 1.00 1.43 C ATOM 1488 NZ LYS A 93 9.866 5.382 -10.028 1.00 21.32 N ATOM 0 H LYS A 93 8.692 2.016 -5.783 1.00 32.24 H new ATOM 0 HA LYS A 93 9.195 4.770 -5.969 1.00 20.43 H new ATOM 0 HB2 LYS A 93 7.018 2.834 -6.669 1.00 10.35 H new ATOM 0 HB3 LYS A 93 6.482 4.490 -6.466 1.00 10.35 H new ATOM 0 HG2 LYS A 93 8.722 3.650 -8.361 1.00 11.30 H new ATOM 0 HG3 LYS A 93 7.050 3.854 -8.847 1.00 11.30 H new ATOM 0 HD2 LYS A 93 7.113 6.248 -8.166 1.00 31.00 H new ATOM 0 HD3 LYS A 93 8.755 6.061 -7.584 1.00 31.00 H new ATOM 0 HE2 LYS A 93 7.844 5.773 -10.483 1.00 1.43 H new ATOM 0 HE3 LYS A 93 8.716 7.137 -9.811 1.00 1.43 H new ATOM 0 HZ1 LYS A 93 10.279 5.784 -10.893 1.00 21.32 H new ATOM 0 HZ2 LYS A 93 10.522 5.522 -9.234 1.00 21.32 H new ATOM 0 HZ3 LYS A 93 9.699 4.365 -10.164 1.00 21.32 H new ATOM 1502 N ALA A 94 7.114 3.917 -3.531 1.00 54.11 N ATOM 1503 CA ALA A 94 6.406 4.389 -2.326 1.00 71.22 C ATOM 1504 C ALA A 94 7.387 4.928 -1.261 1.00 63.21 C ATOM 1505 O ALA A 94 7.119 5.950 -0.611 1.00 74.13 O ATOM 1506 CB ALA A 94 5.533 3.260 -1.767 1.00 52.43 C ATOM 0 H ALA A 94 7.028 2.913 -3.690 1.00 54.11 H new ATOM 0 HA ALA A 94 5.763 5.224 -2.606 1.00 71.22 H new ATOM 0 HB1 ALA A 94 5.011 3.611 -0.877 1.00 52.43 H new ATOM 0 HB2 ALA A 94 4.805 2.957 -2.519 1.00 52.43 H new ATOM 0 HB3 ALA A 94 6.162 2.409 -1.507 1.00 52.43 H new ATOM 1512 N GLU A 95 8.529 4.231 -1.116 1.00 12.25 N ATOM 1513 CA GLU A 95 9.607 4.613 -0.177 1.00 62.22 C ATOM 1514 C GLU A 95 10.410 5.816 -0.724 1.00 65.34 C ATOM 1515 O GLU A 95 10.957 6.603 0.051 1.00 30.22 O ATOM 1516 CB GLU A 95 10.539 3.406 0.085 1.00 21.02 C ATOM 1517 CG GLU A 95 9.827 2.147 0.628 1.00 55.44 C ATOM 1518 CD GLU A 95 10.761 0.929 0.726 1.00 43.10 C ATOM 1519 OE1 GLU A 95 11.072 0.314 -0.323 1.00 30.02 O ATOM 1520 OE2 GLU A 95 11.208 0.592 1.848 1.00 34.01 O ATOM 0 H GLU A 95 8.733 3.384 -1.647 1.00 12.25 H new ATOM 0 HA GLU A 95 9.154 4.913 0.768 1.00 62.22 H new ATOM 0 HB2 GLU A 95 11.046 3.148 -0.844 1.00 21.02 H new ATOM 0 HB3 GLU A 95 11.309 3.706 0.796 1.00 21.02 H new ATOM 0 HG2 GLU A 95 9.416 2.364 1.614 1.00 55.44 H new ATOM 0 HG3 GLU A 95 8.986 1.903 -0.021 1.00 55.44 H new ATOM 1527 N GLU A 96 10.470 5.948 -2.070 1.00 72.01 N ATOM 1528 CA GLU A 96 11.068 7.127 -2.738 1.00 72.43 C ATOM 1529 C GLU A 96 10.223 8.376 -2.443 1.00 33.32 C ATOM 1530 O GLU A 96 10.766 9.459 -2.202 1.00 55.31 O ATOM 1531 CB GLU A 96 11.170 6.924 -4.278 1.00 13.40 C ATOM 1532 CG GLU A 96 12.228 5.908 -4.755 1.00 51.04 C ATOM 1533 CD GLU A 96 13.686 6.345 -4.513 1.00 4.32 C ATOM 1534 OE1 GLU A 96 14.272 7.007 -5.395 1.00 33.50 O ATOM 1535 OE2 GLU A 96 14.260 5.999 -3.453 1.00 21.05 O ATOM 0 H GLU A 96 10.109 5.247 -2.718 1.00 72.01 H new ATOM 0 HA GLU A 96 12.076 7.256 -2.345 1.00 72.43 H new ATOM 0 HB2 GLU A 96 10.196 6.605 -4.648 1.00 13.40 H new ATOM 0 HB3 GLU A 96 11.386 7.888 -4.739 1.00 13.40 H new ATOM 0 HG2 GLU A 96 12.057 4.959 -4.247 1.00 51.04 H new ATOM 0 HG3 GLU A 96 12.087 5.729 -5.821 1.00 51.04 H new ATOM 1542 N TRP A 97 8.890 8.195 -2.467 1.00 42.25 N ATOM 1543 CA TRP A 97 7.919 9.258 -2.166 1.00 32.03 C ATOM 1544 C TRP A 97 8.008 9.684 -0.699 1.00 2.13 C ATOM 1545 O TRP A 97 7.810 10.861 -0.375 1.00 32.30 O ATOM 1546 CB TRP A 97 6.483 8.781 -2.477 1.00 22.40 C ATOM 1547 CG TRP A 97 6.190 8.542 -3.937 1.00 32.31 C ATOM 1548 CD1 TRP A 97 6.829 9.085 -5.019 1.00 52.41 C ATOM 1549 CD2 TRP A 97 5.159 7.703 -4.466 1.00 12.43 C ATOM 1550 NE1 TRP A 97 6.267 8.619 -6.178 1.00 62.20 N ATOM 1551 CE2 TRP A 97 5.238 7.774 -5.865 1.00 62.13 C ATOM 1552 CE3 TRP A 97 4.178 6.899 -3.887 1.00 0.35 C ATOM 1553 CZ2 TRP A 97 4.379 7.065 -6.695 1.00 10.23 C ATOM 1554 CZ3 TRP A 97 3.326 6.199 -4.710 1.00 74.55 C ATOM 1555 CH2 TRP A 97 3.434 6.290 -6.100 1.00 23.34 C ATOM 0 H TRP A 97 8.456 7.301 -2.697 1.00 42.25 H new ATOM 0 HA TRP A 97 8.159 10.115 -2.795 1.00 32.03 H new ATOM 0 HB2 TRP A 97 6.297 7.857 -1.929 1.00 22.40 H new ATOM 0 HB3 TRP A 97 5.780 9.523 -2.098 1.00 22.40 H new ATOM 0 HD1 TRP A 97 7.655 9.779 -4.967 1.00 52.41 H new ATOM 0 HE1 TRP A 97 6.567 8.863 -7.122 1.00 62.20 H new ATOM 0 HE3 TRP A 97 4.089 6.827 -2.813 1.00 0.35 H new ATOM 0 HZ2 TRP A 97 4.459 7.127 -7.770 1.00 10.23 H new ATOM 0 HZ3 TRP A 97 2.563 5.570 -4.275 1.00 74.55 H new ATOM 0 HH2 TRP A 97 2.748 5.730 -6.718 1.00 23.34 H new ATOM 1566 N LEU A 98 8.281 8.700 0.178 1.00 0.03 N ATOM 1567 CA LEU A 98 8.498 8.938 1.609 1.00 73.42 C ATOM 1568 C LEU A 98 9.689 9.892 1.815 1.00 61.40 C ATOM 1569 O LEU A 98 9.556 10.913 2.496 1.00 12.11 O ATOM 1570 CB LEU A 98 8.712 7.590 2.344 1.00 44.22 C ATOM 1571 CG LEU A 98 9.002 7.668 3.880 1.00 22.44 C ATOM 1572 CD1 LEU A 98 7.881 8.418 4.632 1.00 34.10 C ATOM 1573 CD2 LEU A 98 9.223 6.261 4.469 1.00 52.34 C ATOM 0 H LEU A 98 8.356 7.719 -0.090 1.00 0.03 H new ATOM 0 HA LEU A 98 7.615 9.415 2.034 1.00 73.42 H new ATOM 0 HB2 LEU A 98 7.823 6.976 2.196 1.00 44.22 H new ATOM 0 HB3 LEU A 98 9.542 7.070 1.866 1.00 44.22 H new ATOM 0 HG LEU A 98 9.921 8.239 4.014 1.00 22.44 H new ATOM 0 HD11 LEU A 98 8.116 8.452 5.696 1.00 34.10 H new ATOM 0 HD12 LEU A 98 7.800 9.434 4.245 1.00 34.10 H new ATOM 0 HD13 LEU A 98 6.934 7.898 4.487 1.00 34.10 H new ATOM 0 HD21 LEU A 98 9.423 6.341 5.538 1.00 52.34 H new ATOM 0 HD22 LEU A 98 8.330 5.656 4.311 1.00 52.34 H new ATOM 0 HD23 LEU A 98 10.073 5.789 3.975 1.00 52.34 H new ATOM 1585 N GLN A 99 10.825 9.574 1.163 1.00 62.21 N ATOM 1586 CA GLN A 99 12.052 10.402 1.217 1.00 0.31 C ATOM 1587 C GLN A 99 11.821 11.774 0.552 1.00 44.44 C ATOM 1588 O GLN A 99 12.440 12.769 0.938 1.00 61.20 O ATOM 1589 CB GLN A 99 13.236 9.681 0.520 1.00 40.24 C ATOM 1590 CG GLN A 99 13.559 8.277 1.072 1.00 33.14 C ATOM 1591 CD GLN A 99 14.765 7.613 0.392 1.00 72.20 C ATOM 1592 OE1 GLN A 99 15.717 8.281 -0.007 1.00 70.14 O ATOM 1593 NE2 GLN A 99 14.724 6.303 0.231 1.00 32.42 N ATOM 0 H GLN A 99 10.920 8.739 0.585 1.00 62.21 H new ATOM 0 HA GLN A 99 12.298 10.555 2.268 1.00 0.31 H new ATOM 0 HB2 GLN A 99 13.014 9.595 -0.544 1.00 40.24 H new ATOM 0 HB3 GLN A 99 14.126 10.304 0.611 1.00 40.24 H new ATOM 0 HG2 GLN A 99 13.751 8.352 2.142 1.00 33.14 H new ATOM 0 HG3 GLN A 99 12.685 7.637 0.949 1.00 33.14 H new ATOM 0 HE21 GLN A 99 13.922 5.772 0.571 1.00 32.42 H new ATOM 0 HE22 GLN A 99 15.494 5.822 -0.234 1.00 32.42 H new ATOM 1602 N ALA A 100 10.929 11.795 -0.462 1.00 75.54 N ATOM 1603 CA ALA A 100 10.569 13.014 -1.210 1.00 11.53 C ATOM 1604 C ALA A 100 9.804 14.010 -0.319 1.00 34.53 C ATOM 1605 O ALA A 100 9.942 15.224 -0.483 1.00 32.33 O ATOM 1606 CB ALA A 100 9.744 12.654 -2.456 1.00 5.43 C ATOM 0 H ALA A 100 10.437 10.961 -0.784 1.00 75.54 H new ATOM 0 HA ALA A 100 11.491 13.498 -1.532 1.00 11.53 H new ATOM 0 HB1 ALA A 100 9.486 13.564 -2.997 1.00 5.43 H new ATOM 0 HB2 ALA A 100 10.329 12.000 -3.103 1.00 5.43 H new ATOM 0 HB3 ALA A 100 8.831 12.142 -2.152 1.00 5.43 H new ATOM 1612 N GLU A 101 8.997 13.475 0.624 1.00 43.03 N ATOM 1613 CA GLU A 101 8.268 14.289 1.607 1.00 65.03 C ATOM 1614 C GLU A 101 9.199 14.755 2.740 1.00 74.42 C ATOM 1615 O GLU A 101 9.022 15.852 3.265 1.00 22.12 O ATOM 1616 CB GLU A 101 7.055 13.512 2.195 1.00 50.51 C ATOM 1617 CG GLU A 101 5.838 13.392 1.231 1.00 52.24 C ATOM 1618 CD GLU A 101 4.490 13.565 1.955 1.00 11.32 C ATOM 1619 OE1 GLU A 101 4.267 14.660 2.521 1.00 3.24 O ATOM 1620 OE2 GLU A 101 3.652 12.638 1.966 1.00 3.35 O ATOM 0 H GLU A 101 8.837 12.472 0.720 1.00 43.03 H new ATOM 0 HA GLU A 101 7.891 15.169 1.085 1.00 65.03 H new ATOM 0 HB2 GLU A 101 7.382 12.510 2.474 1.00 50.51 H new ATOM 0 HB3 GLU A 101 6.731 14.008 3.110 1.00 50.51 H new ATOM 0 HG2 GLU A 101 5.924 14.145 0.447 1.00 52.24 H new ATOM 0 HG3 GLU A 101 5.861 12.418 0.742 1.00 52.24 H new