USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 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+ 147:sc= 1.56 (180deg=0.317) USER MOD Set 1.2: A 47 TYR OH : rot 110:sc= 0.822 USER MOD Single : A 24 MET CE :methyl -149:sc= -0.176 (180deg=-0.989) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.64 K(o=-0.64,f=0.73) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ -113:sc= 0.85 (180deg=-0.121) USER MOD Single : A 38 MET CE :methyl -175:sc= -0.782 (180deg=-0.839) 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= 0.147 K(o=0.15,f=-1) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -140:sc= 0.514 (180deg=-0.784!) USER MOD Single : A 70 SER OG : rot -110:sc= 1.16 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -21:sc= 0.0338 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 175:sc= -2.7! (180deg=-2.72!) USER MOD Single : A 92 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0256) USER MOD Single : A 93 LYS NZ :NH3+ -168:sc= -0.0301 (180deg=-0.218) USER MOD Single : A 99 GLN : amide:sc= 0.143 X(o=0.14,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -10.161 8.630 1.614 1.00 25.22 N ATOM 369 CA MET A 24 -9.926 7.391 0.858 1.00 74.43 C ATOM 370 C MET A 24 -8.415 7.220 0.603 1.00 0.41 C ATOM 371 O MET A 24 -7.616 8.119 0.893 1.00 1.32 O ATOM 372 CB MET A 24 -10.730 7.429 -0.461 1.00 71.32 C ATOM 373 CG MET A 24 -12.256 7.293 -0.288 1.00 45.42 C ATOM 374 SD MET A 24 -13.172 8.207 -1.541 1.00 44.12 S ATOM 375 CE MET A 24 -12.701 9.887 -1.110 1.00 10.35 C ATOM 0 HA MET A 24 -10.267 6.530 1.433 1.00 74.43 H new ATOM 0 HB2 MET A 24 -10.518 8.368 -0.973 1.00 71.32 H new ATOM 0 HB3 MET A 24 -10.378 6.626 -1.109 1.00 71.32 H new ATOM 0 HG2 MET A 24 -12.532 6.240 -0.336 1.00 45.42 H new ATOM 0 HG3 MET A 24 -12.540 7.652 0.701 1.00 45.42 H new ATOM 0 HE1 MET A 24 -13.516 10.568 -1.355 1.00 10.35 H new ATOM 0 HE2 MET A 24 -12.490 9.943 -0.042 1.00 10.35 H new ATOM 0 HE3 MET A 24 -11.810 10.170 -1.671 1.00 10.35 H new ATOM 385 N GLY A 25 -8.049 6.048 0.068 1.00 13.12 N ATOM 386 CA GLY A 25 -6.648 5.627 -0.054 1.00 3.33 C ATOM 387 C GLY A 25 -6.319 4.632 1.045 1.00 73.43 C ATOM 388 O GLY A 25 -5.709 3.593 0.795 1.00 2.03 O ATOM 0 H GLY A 25 -8.716 5.365 -0.292 1.00 13.12 H new ATOM 0 HA2 GLY A 25 -6.477 5.175 -1.031 1.00 3.33 H new ATOM 0 HA3 GLY A 25 -5.990 6.493 0.016 1.00 3.33 H new ATOM 392 N ARG A 26 -6.774 4.973 2.273 1.00 42.21 N ATOM 393 CA ARG A 26 -6.683 4.104 3.459 1.00 74.43 C ATOM 394 C ARG A 26 -7.443 2.792 3.198 1.00 71.43 C ATOM 395 O ARG A 26 -6.965 1.723 3.544 1.00 43.33 O ATOM 396 CB ARG A 26 -7.260 4.845 4.707 1.00 71.13 C ATOM 397 CG ARG A 26 -6.869 4.231 6.077 1.00 31.32 C ATOM 398 CD ARG A 26 -5.374 4.409 6.413 1.00 1.22 C ATOM 399 NE ARG A 26 -4.975 5.831 6.422 1.00 41.21 N ATOM 400 CZ ARG A 26 -3.835 6.332 6.942 1.00 3.33 C ATOM 401 NH1 ARG A 26 -2.933 5.540 7.517 1.00 33.22 N ATOM 402 NH2 ARG A 26 -3.596 7.637 6.859 1.00 45.44 N ATOM 0 H ARG A 26 -7.219 5.870 2.465 1.00 42.21 H new ATOM 0 HA ARG A 26 -5.638 3.865 3.657 1.00 74.43 H new ATOM 0 HB2 ARG A 26 -6.924 5.882 4.682 1.00 71.13 H new ATOM 0 HB3 ARG A 26 -8.347 4.860 4.630 1.00 71.13 H new ATOM 0 HG2 ARG A 26 -7.469 4.693 6.861 1.00 31.32 H new ATOM 0 HG3 ARG A 26 -7.111 3.168 6.075 1.00 31.32 H new ATOM 0 HD2 ARG A 26 -5.166 3.968 7.388 1.00 1.22 H new ATOM 0 HD3 ARG A 26 -4.771 3.868 5.684 1.00 1.22 H new ATOM 0 HE ARG A 26 -5.621 6.496 5.996 1.00 41.21 H new ATOM 0 HH11 ARG A 26 -3.097 4.535 7.570 1.00 33.22 H new ATOM 0 HH12 ARG A 26 -2.078 5.938 7.904 1.00 33.22 H new ATOM 0 HH21 ARG A 26 -4.272 8.251 6.405 1.00 45.44 H new ATOM 0 HH22 ARG A 26 -2.737 8.024 7.249 1.00 45.44 H new ATOM 416 N ALA A 27 -8.617 2.920 2.538 1.00 13.24 N ATOM 417 CA ALA A 27 -9.460 1.784 2.125 1.00 61.55 C ATOM 418 C ALA A 27 -8.677 0.794 1.245 1.00 74.45 C ATOM 419 O ALA A 27 -8.777 -0.413 1.449 1.00 52.14 O ATOM 420 CB ALA A 27 -10.704 2.293 1.383 1.00 41.01 C ATOM 0 H ALA A 27 -9.006 3.826 2.276 1.00 13.24 H new ATOM 0 HA ALA A 27 -9.774 1.252 3.023 1.00 61.55 H new ATOM 0 HB1 ALA A 27 -11.320 1.446 1.082 1.00 41.01 H new ATOM 0 HB2 ALA A 27 -11.279 2.944 2.041 1.00 41.01 H new ATOM 0 HB3 ALA A 27 -10.397 2.851 0.498 1.00 41.01 H new ATOM 426 N LEU A 28 -7.877 1.329 0.283 1.00 43.00 N ATOM 427 CA LEU A 28 -7.043 0.497 -0.609 1.00 42.34 C ATOM 428 C LEU A 28 -5.955 -0.244 0.191 1.00 60.34 C ATOM 429 O LEU A 28 -5.764 -1.445 0.016 1.00 32.45 O ATOM 430 CB LEU A 28 -6.415 1.329 -1.763 1.00 2.12 C ATOM 431 CG LEU A 28 -7.388 1.675 -2.929 1.00 54.13 C ATOM 432 CD1 LEU A 28 -6.726 2.568 -3.989 1.00 61.42 C ATOM 433 CD2 LEU A 28 -7.972 0.405 -3.570 1.00 44.22 C ATOM 0 H LEU A 28 -7.797 2.331 0.111 1.00 43.00 H new ATOM 0 HA LEU A 28 -7.698 -0.244 -1.067 1.00 42.34 H new ATOM 0 HB2 LEU A 28 -6.023 2.258 -1.349 1.00 2.12 H new ATOM 0 HB3 LEU A 28 -5.567 0.777 -2.169 1.00 2.12 H new ATOM 0 HG LEU A 28 -8.210 2.243 -2.493 1.00 54.13 H new ATOM 0 HD11 LEU A 28 -7.442 2.783 -4.782 1.00 61.42 H new ATOM 0 HD12 LEU A 28 -6.404 3.502 -3.528 1.00 61.42 H new ATOM 0 HD13 LEU A 28 -5.862 2.054 -4.410 1.00 61.42 H new ATOM 0 HD21 LEU A 28 -8.646 0.683 -4.380 1.00 44.22 H new ATOM 0 HD22 LEU A 28 -7.162 -0.208 -3.966 1.00 44.22 H new ATOM 0 HD23 LEU A 28 -8.522 -0.162 -2.819 1.00 44.22 H new ATOM 445 N TYR A 29 -5.283 0.503 1.095 1.00 1.03 N ATOM 446 CA TYR A 29 -4.273 -0.041 2.035 1.00 64.14 C ATOM 447 C TYR A 29 -4.852 -1.236 2.824 1.00 33.13 C ATOM 448 O TYR A 29 -4.193 -2.267 2.975 1.00 31.34 O ATOM 449 CB TYR A 29 -3.805 1.087 3.004 1.00 63.02 C ATOM 450 CG TYR A 29 -2.824 0.654 4.109 1.00 20.52 C ATOM 451 CD1 TYR A 29 -1.504 0.312 3.808 1.00 61.24 C ATOM 452 CD2 TYR A 29 -3.213 0.603 5.456 1.00 44.02 C ATOM 453 CE1 TYR A 29 -0.615 -0.064 4.795 1.00 22.02 C ATOM 454 CE2 TYR A 29 -2.320 0.231 6.446 1.00 75.10 C ATOM 455 CZ TYR A 29 -1.021 -0.099 6.110 1.00 2.14 C ATOM 456 OH TYR A 29 -0.119 -0.465 7.093 1.00 14.11 O ATOM 0 H TYR A 29 -5.426 1.508 1.195 1.00 1.03 H new ATOM 0 HA TYR A 29 -3.414 -0.401 1.468 1.00 64.14 H new ATOM 0 HB2 TYR A 29 -3.335 1.875 2.415 1.00 63.02 H new ATOM 0 HB3 TYR A 29 -4.685 1.524 3.476 1.00 63.02 H new ATOM 0 HD1 TYR A 29 -1.171 0.342 2.781 1.00 61.24 H new ATOM 0 HD2 TYR A 29 -4.227 0.859 5.725 1.00 44.02 H new ATOM 0 HE1 TYR A 29 0.399 -0.331 4.536 1.00 22.02 H new ATOM 0 HE2 TYR A 29 -2.638 0.199 7.478 1.00 75.10 H new ATOM 0 HH TYR A 29 -0.560 -0.439 7.968 1.00 14.11 H new ATOM 466 N ASN A 30 -6.114 -1.086 3.263 1.00 65.31 N ATOM 467 CA ASN A 30 -6.821 -2.091 4.074 1.00 42.34 C ATOM 468 C ASN A 30 -7.239 -3.334 3.253 1.00 73.14 C ATOM 469 O ASN A 30 -7.290 -4.434 3.805 1.00 70.03 O ATOM 470 CB ASN A 30 -8.041 -1.452 4.792 1.00 73.23 C ATOM 471 CG ASN A 30 -7.644 -0.574 5.987 1.00 13.44 C ATOM 472 OD1 ASN A 30 -7.550 0.645 5.898 1.00 55.23 O ATOM 473 ND2 ASN A 30 -7.375 -1.203 7.118 1.00 44.41 N ATOM 0 H ASN A 30 -6.675 -0.258 3.063 1.00 65.31 H new ATOM 0 HA ASN A 30 -6.119 -2.445 4.829 1.00 42.34 H new ATOM 0 HB2 ASN A 30 -8.602 -0.850 4.077 1.00 73.23 H new ATOM 0 HB3 ASN A 30 -8.708 -2.243 5.135 1.00 73.23 H new ATOM 0 HD21 ASN A 30 -7.083 -0.673 7.939 1.00 44.41 H new ATOM 0 HD22 ASN A 30 -7.460 -2.218 7.170 1.00 44.41 H new ATOM 480 N ILE A 31 -7.533 -3.157 1.941 1.00 2.20 N ATOM 481 CA ILE A 31 -7.782 -4.292 1.009 1.00 71.50 C ATOM 482 C ILE A 31 -6.484 -5.102 0.840 1.00 62.31 C ATOM 483 O ILE A 31 -6.500 -6.343 0.772 1.00 53.13 O ATOM 484 CB ILE A 31 -8.267 -3.794 -0.411 1.00 15.13 C ATOM 485 CG1 ILE A 31 -9.575 -2.963 -0.283 1.00 21.35 C ATOM 486 CG2 ILE A 31 -8.465 -4.975 -1.402 1.00 21.11 C ATOM 487 CD1 ILE A 31 -9.954 -2.172 -1.522 1.00 52.32 C ATOM 0 H ILE A 31 -7.604 -2.239 1.501 1.00 2.20 H new ATOM 0 HA ILE A 31 -8.571 -4.910 1.438 1.00 71.50 H new ATOM 0 HB ILE A 31 -7.483 -3.154 -0.817 1.00 15.13 H new ATOM 0 HG12 ILE A 31 -10.394 -3.638 -0.036 1.00 21.35 H new ATOM 0 HG13 ILE A 31 -9.469 -2.272 0.553 1.00 21.35 H new ATOM 0 HG21 ILE A 31 -8.798 -4.589 -2.365 1.00 21.11 H new ATOM 0 HG22 ILE A 31 -7.521 -5.505 -1.530 1.00 21.11 H new ATOM 0 HG23 ILE A 31 -9.215 -5.660 -1.006 1.00 21.11 H new ATOM 0 HD11 ILE A 31 -10.879 -1.626 -1.336 1.00 52.32 H new ATOM 0 HD12 ILE A 31 -9.158 -1.467 -1.761 1.00 52.32 H new ATOM 0 HD13 ILE A 31 -10.098 -2.855 -2.360 1.00 52.32 H new ATOM 499 N GLY A 32 -5.365 -4.351 0.781 1.00 13.42 N ATOM 500 CA GLY A 32 -4.033 -4.920 0.720 1.00 41.02 C ATOM 501 C GLY A 32 -3.716 -5.765 1.946 1.00 72.44 C ATOM 502 O GLY A 32 -3.125 -6.837 1.823 1.00 12.15 O ATOM 0 H GLY A 32 -5.376 -3.331 0.775 1.00 13.42 H new ATOM 0 HA2 GLY A 32 -3.942 -5.533 -0.176 1.00 41.02 H new ATOM 0 HA3 GLY A 32 -3.300 -4.118 0.633 1.00 41.02 H new ATOM 506 N LEU A 33 -4.144 -5.278 3.131 1.00 22.42 N ATOM 507 CA LEU A 33 -3.965 -5.995 4.409 1.00 52.33 C ATOM 508 C LEU A 33 -4.665 -7.368 4.367 1.00 23.53 C ATOM 509 O LEU A 33 -4.099 -8.368 4.805 1.00 42.42 O ATOM 510 CB LEU A 33 -4.506 -5.152 5.604 1.00 13.20 C ATOM 511 CG LEU A 33 -3.858 -3.745 5.820 1.00 50.44 C ATOM 512 CD1 LEU A 33 -4.472 -3.029 7.037 1.00 13.42 C ATOM 513 CD2 LEU A 33 -2.324 -3.828 5.933 1.00 72.12 C ATOM 0 H LEU A 33 -4.621 -4.381 3.227 1.00 22.42 H new ATOM 0 HA LEU A 33 -2.896 -6.152 4.556 1.00 52.33 H new ATOM 0 HB2 LEU A 33 -5.579 -5.015 5.466 1.00 13.20 H new ATOM 0 HB3 LEU A 33 -4.373 -5.732 6.517 1.00 13.20 H new ATOM 0 HG LEU A 33 -4.081 -3.149 4.935 1.00 50.44 H new ATOM 0 HD11 LEU A 33 -4.001 -2.054 7.161 1.00 13.42 H new ATOM 0 HD12 LEU A 33 -5.543 -2.898 6.880 1.00 13.42 H new ATOM 0 HD13 LEU A 33 -4.308 -3.628 7.933 1.00 13.42 H new ATOM 0 HD21 LEU A 33 -1.916 -2.829 6.082 1.00 72.12 H new ATOM 0 HD22 LEU A 33 -2.055 -4.460 6.779 1.00 72.12 H new ATOM 0 HD23 LEU A 33 -1.914 -4.254 5.017 1.00 72.12 H new ATOM 525 N GLU A 34 -5.883 -7.393 3.786 1.00 55.44 N ATOM 526 CA GLU A 34 -6.729 -8.601 3.736 1.00 14.33 C ATOM 527 C GLU A 34 -6.184 -9.650 2.748 1.00 73.10 C ATOM 528 O GLU A 34 -6.243 -10.850 3.025 1.00 22.11 O ATOM 529 CB GLU A 34 -8.195 -8.229 3.379 1.00 31.41 C ATOM 530 CG GLU A 34 -8.853 -7.194 4.321 1.00 52.55 C ATOM 531 CD GLU A 34 -8.719 -7.556 5.812 1.00 15.21 C ATOM 532 OE1 GLU A 34 -9.520 -8.376 6.318 1.00 35.34 O ATOM 533 OE2 GLU A 34 -7.803 -7.032 6.488 1.00 63.22 O ATOM 0 H GLU A 34 -6.305 -6.579 3.340 1.00 55.44 H new ATOM 0 HA GLU A 34 -6.710 -9.049 4.730 1.00 14.33 H new ATOM 0 HB2 GLU A 34 -8.218 -7.838 2.362 1.00 31.41 H new ATOM 0 HB3 GLU A 34 -8.797 -9.138 3.385 1.00 31.41 H new ATOM 0 HG2 GLU A 34 -8.400 -6.217 4.149 1.00 52.55 H new ATOM 0 HG3 GLU A 34 -9.910 -7.104 4.070 1.00 52.55 H new ATOM 540 N LYS A 35 -5.661 -9.200 1.590 1.00 13.13 N ATOM 541 CA LYS A 35 -5.119 -10.119 0.565 1.00 61.05 C ATOM 542 C LYS A 35 -3.725 -10.643 0.959 1.00 31.03 C ATOM 543 O LYS A 35 -3.396 -11.792 0.667 1.00 3.32 O ATOM 544 CB LYS A 35 -5.121 -9.464 -0.837 1.00 61.01 C ATOM 545 CG LYS A 35 -6.550 -9.134 -1.344 1.00 51.33 C ATOM 546 CD LYS A 35 -6.608 -8.857 -2.856 1.00 15.42 C ATOM 547 CE LYS A 35 -8.020 -8.492 -3.340 1.00 64.51 C ATOM 548 NZ LYS A 35 -8.066 -8.257 -4.814 1.00 23.43 N ATOM 0 H LYS A 35 -5.602 -8.213 1.341 1.00 13.13 H new ATOM 0 HA LYS A 35 -5.779 -10.985 0.513 1.00 61.05 H new ATOM 0 HB2 LYS A 35 -4.531 -8.548 -0.806 1.00 61.01 H new ATOM 0 HB3 LYS A 35 -4.634 -10.133 -1.546 1.00 61.01 H new ATOM 0 HG2 LYS A 35 -7.213 -9.966 -1.108 1.00 51.33 H new ATOM 0 HG3 LYS A 35 -6.927 -8.264 -0.807 1.00 51.33 H new ATOM 0 HD2 LYS A 35 -5.924 -8.044 -3.098 1.00 15.42 H new ATOM 0 HD3 LYS A 35 -6.260 -9.738 -3.396 1.00 15.42 H new ATOM 0 HE2 LYS A 35 -8.711 -9.294 -3.080 1.00 64.51 H new ATOM 0 HE3 LYS A 35 -8.361 -7.597 -2.820 1.00 64.51 H new ATOM 0 HZ1 LYS A 35 -8.989 -8.561 -5.185 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -7.931 -7.244 -5.008 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -7.310 -8.802 -5.276 1.00 23.43 H new ATOM 562 N ASN A 36 -2.941 -9.803 1.662 1.00 33.35 N ATOM 563 CA ASN A 36 -1.623 -10.203 2.230 1.00 73.23 C ATOM 564 C ASN A 36 -1.843 -11.234 3.366 1.00 30.32 C ATOM 565 O ASN A 36 -1.038 -12.146 3.567 1.00 21.32 O ATOM 566 CB ASN A 36 -0.863 -8.946 2.764 1.00 33.13 C ATOM 567 CG ASN A 36 0.625 -9.185 3.069 1.00 42.44 C ATOM 568 OD1 ASN A 36 1.279 -10.021 2.444 1.00 5.42 O ATOM 569 ND2 ASN A 36 1.176 -8.432 4.011 1.00 51.01 N ATOM 0 H ASN A 36 -3.194 -8.834 1.855 1.00 33.35 H new ATOM 0 HA ASN A 36 -1.015 -10.661 1.450 1.00 73.23 H new ATOM 0 HB2 ASN A 36 -0.947 -8.146 2.028 1.00 33.13 H new ATOM 0 HB3 ASN A 36 -1.356 -8.597 3.671 1.00 33.13 H new ATOM 0 HD21 ASN A 36 2.166 -8.537 4.234 1.00 51.01 H new ATOM 0 HD22 ASN A 36 0.610 -7.747 4.513 1.00 51.01 H new ATOM 576 N LYS A 37 -2.977 -11.060 4.075 1.00 45.42 N ATOM 577 CA LYS A 37 -3.467 -11.970 5.140 1.00 43.34 C ATOM 578 C LYS A 37 -3.845 -13.347 4.549 1.00 14.41 C ATOM 579 O LYS A 37 -3.623 -14.386 5.178 1.00 72.12 O ATOM 580 CB LYS A 37 -4.696 -11.293 5.818 1.00 13.10 C ATOM 581 CG LYS A 37 -5.330 -12.016 7.031 1.00 61.21 C ATOM 582 CD LYS A 37 -6.528 -11.209 7.616 1.00 71.50 C ATOM 583 CE LYS A 37 -6.126 -9.793 8.086 1.00 71.31 C ATOM 584 NZ LYS A 37 -7.285 -8.996 8.579 1.00 62.45 N ATOM 0 H LYS A 37 -3.596 -10.264 3.922 1.00 45.42 H new ATOM 0 HA LYS A 37 -2.685 -12.144 5.879 1.00 43.34 H new ATOM 0 HB2 LYS A 37 -4.396 -10.296 6.140 1.00 13.10 H new ATOM 0 HB3 LYS A 37 -5.470 -11.164 5.061 1.00 13.10 H new ATOM 0 HG2 LYS A 37 -5.670 -13.006 6.728 1.00 61.21 H new ATOM 0 HG3 LYS A 37 -4.576 -12.161 7.804 1.00 61.21 H new ATOM 0 HD2 LYS A 37 -7.309 -11.127 6.860 1.00 71.50 H new ATOM 0 HD3 LYS A 37 -6.954 -11.758 8.456 1.00 71.50 H new ATOM 0 HE2 LYS A 37 -5.384 -9.876 8.880 1.00 71.31 H new ATOM 0 HE3 LYS A 37 -5.651 -9.263 7.261 1.00 71.31 H new ATOM 0 HZ1 LYS A 37 -7.459 -8.200 7.933 1.00 62.45 H new ATOM 0 HZ2 LYS A 37 -8.130 -9.601 8.619 1.00 62.45 H new ATOM 0 HZ3 LYS A 37 -7.076 -8.631 9.530 1.00 62.45 H new ATOM 598 N MET A 38 -4.406 -13.334 3.323 1.00 21.33 N ATOM 599 CA MET A 38 -4.805 -14.561 2.589 1.00 34.21 C ATOM 600 C MET A 38 -3.664 -15.077 1.677 1.00 52.05 C ATOM 601 O MET A 38 -3.882 -15.971 0.851 1.00 22.35 O ATOM 602 CB MET A 38 -6.098 -14.286 1.770 1.00 72.40 C ATOM 603 CG MET A 38 -7.327 -13.952 2.633 1.00 12.22 C ATOM 604 SD MET A 38 -8.808 -13.592 1.660 1.00 23.10 S ATOM 605 CE MET A 38 -8.322 -12.119 0.757 1.00 72.24 C ATOM 0 H MET A 38 -4.597 -12.473 2.810 1.00 21.33 H new ATOM 0 HA MET A 38 -5.009 -15.347 3.317 1.00 34.21 H new ATOM 0 HB2 MET A 38 -5.913 -13.459 1.085 1.00 72.40 H new ATOM 0 HB3 MET A 38 -6.322 -15.161 1.160 1.00 72.40 H new ATOM 0 HG2 MET A 38 -7.533 -14.790 3.299 1.00 12.22 H new ATOM 0 HG3 MET A 38 -7.097 -13.093 3.263 1.00 12.22 H new ATOM 0 HE1 MET A 38 -9.173 -11.743 0.189 1.00 72.24 H new ATOM 0 HE2 MET A 38 -7.989 -11.355 1.459 1.00 72.24 H new ATOM 0 HE3 MET A 38 -7.509 -12.363 0.074 1.00 72.24 H new ATOM 615 N GLY A 39 -2.446 -14.500 1.831 1.00 14.45 N ATOM 616 CA GLY A 39 -1.232 -15.010 1.166 1.00 41.43 C ATOM 617 C GLY A 39 -0.929 -14.357 -0.181 1.00 55.20 C ATOM 618 O GLY A 39 0.190 -14.485 -0.694 1.00 70.42 O ATOM 0 H GLY A 39 -2.284 -13.678 2.413 1.00 14.45 H new ATOM 0 HA2 GLY A 39 -0.379 -14.860 1.829 1.00 41.43 H new ATOM 0 HA3 GLY A 39 -1.337 -16.085 1.019 1.00 41.43 H new ATOM 622 N LYS A 40 -1.929 -13.664 -0.748 1.00 43.01 N ATOM 623 CA LYS A 40 -1.830 -13.014 -2.069 1.00 4.03 C ATOM 624 C LYS A 40 -1.177 -11.615 -1.917 1.00 44.10 C ATOM 625 O LYS A 40 -1.834 -10.573 -2.063 1.00 74.33 O ATOM 626 CB LYS A 40 -3.251 -12.925 -2.702 1.00 50.11 C ATOM 627 CG LYS A 40 -4.036 -14.263 -2.693 1.00 1.31 C ATOM 628 CD LYS A 40 -5.438 -14.148 -3.330 1.00 25.41 C ATOM 629 CE LYS A 40 -6.349 -13.131 -2.616 1.00 74.10 C ATOM 630 NZ LYS A 40 -7.635 -12.948 -3.344 1.00 42.03 N ATOM 0 H LYS A 40 -2.837 -13.537 -0.301 1.00 43.01 H new ATOM 0 HA LYS A 40 -1.197 -13.602 -2.734 1.00 4.03 H new ATOM 0 HB2 LYS A 40 -3.830 -12.174 -2.165 1.00 50.11 H new ATOM 0 HB3 LYS A 40 -3.157 -12.579 -3.731 1.00 50.11 H new ATOM 0 HG2 LYS A 40 -3.461 -15.018 -3.229 1.00 1.31 H new ATOM 0 HG3 LYS A 40 -4.138 -14.610 -1.665 1.00 1.31 H new ATOM 0 HD2 LYS A 40 -5.332 -13.859 -4.376 1.00 25.41 H new ATOM 0 HD3 LYS A 40 -5.917 -15.127 -3.317 1.00 25.41 H new ATOM 0 HE2 LYS A 40 -6.550 -13.471 -1.600 1.00 74.10 H new ATOM 0 HE3 LYS A 40 -5.835 -12.173 -2.536 1.00 74.10 H new ATOM 0 HZ1 LYS A 40 -8.225 -12.258 -2.838 1.00 42.03 H new ATOM 0 HZ2 LYS A 40 -7.443 -12.601 -4.305 1.00 42.03 H new ATOM 0 HZ3 LYS A 40 -8.136 -13.858 -3.398 1.00 42.03 H new ATOM 644 N ALA A 41 0.131 -11.632 -1.603 1.00 2.54 N ATOM 645 CA ALA A 41 0.920 -10.429 -1.279 1.00 72.25 C ATOM 646 C ALA A 41 1.230 -9.564 -2.522 1.00 74.23 C ATOM 647 O ALA A 41 1.637 -8.409 -2.376 1.00 23.43 O ATOM 648 CB ALA A 41 2.211 -10.842 -0.561 1.00 11.33 C ATOM 0 H ALA A 41 0.677 -12.493 -1.567 1.00 2.54 H new ATOM 0 HA ALA A 41 0.318 -9.805 -0.619 1.00 72.25 H new ATOM 0 HB1 ALA A 41 2.794 -9.953 -0.321 1.00 11.33 H new ATOM 0 HB2 ALA A 41 1.962 -11.372 0.359 1.00 11.33 H new ATOM 0 HB3 ALA A 41 2.795 -11.495 -1.209 1.00 11.33 H new ATOM 654 N ARG A 42 1.041 -10.134 -3.731 1.00 12.42 N ATOM 655 CA ARG A 42 1.225 -9.412 -5.006 1.00 71.50 C ATOM 656 C ARG A 42 0.102 -8.388 -5.229 1.00 42.31 C ATOM 657 O ARG A 42 0.377 -7.204 -5.486 1.00 1.03 O ATOM 658 CB ARG A 42 1.298 -10.401 -6.188 1.00 75.53 C ATOM 659 CG ARG A 42 1.313 -9.705 -7.578 1.00 31.35 C ATOM 660 CD ARG A 42 2.188 -10.409 -8.601 1.00 74.42 C ATOM 661 NE ARG A 42 1.708 -11.740 -9.000 1.00 71.23 N ATOM 662 CZ ARG A 42 2.027 -12.342 -10.167 1.00 44.53 C ATOM 663 NH1 ARG A 42 2.816 -11.742 -11.056 1.00 22.04 N ATOM 664 NH2 ARG A 42 1.556 -13.554 -10.436 1.00 43.14 N ATOM 0 H ARG A 42 0.757 -11.106 -3.850 1.00 12.42 H new ATOM 0 HA ARG A 42 2.169 -8.871 -4.950 1.00 71.50 H new ATOM 0 HB2 ARG A 42 2.195 -11.011 -6.086 1.00 75.53 H new ATOM 0 HB3 ARG A 42 0.445 -11.078 -6.138 1.00 75.53 H new ATOM 0 HG2 ARG A 42 0.293 -9.652 -7.959 1.00 31.35 H new ATOM 0 HG3 ARG A 42 1.662 -8.679 -7.458 1.00 31.35 H new ATOM 0 HD2 ARG A 42 2.263 -9.782 -9.490 1.00 74.42 H new ATOM 0 HD3 ARG A 42 3.194 -10.506 -8.194 1.00 74.42 H new ATOM 0 HE ARG A 42 1.096 -12.240 -8.356 1.00 71.23 H new ATOM 0 HH11 ARG A 42 3.190 -10.813 -10.861 1.00 22.04 H new ATOM 0 HH12 ARG A 42 3.047 -12.211 -11.932 1.00 22.04 H new ATOM 0 HH21 ARG A 42 0.955 -14.029 -9.762 1.00 43.14 H new ATOM 0 HH22 ARG A 42 1.795 -14.010 -11.316 1.00 43.14 H new ATOM 678 N GLU A 43 -1.164 -8.866 -5.140 1.00 31.30 N ATOM 679 CA GLU A 43 -2.359 -7.998 -5.242 1.00 64.34 C ATOM 680 C GLU A 43 -2.313 -6.934 -4.139 1.00 74.33 C ATOM 681 O GLU A 43 -2.547 -5.749 -4.388 1.00 23.22 O ATOM 682 CB GLU A 43 -3.667 -8.818 -5.118 1.00 62.11 C ATOM 683 CG GLU A 43 -3.866 -9.905 -6.193 1.00 72.22 C ATOM 684 CD GLU A 43 -5.226 -10.614 -6.066 1.00 14.24 C ATOM 685 OE1 GLU A 43 -6.259 -10.012 -6.434 1.00 5.11 O ATOM 686 OE2 GLU A 43 -5.284 -11.750 -5.577 1.00 35.41 O ATOM 0 H GLU A 43 -1.382 -9.852 -4.997 1.00 31.30 H new ATOM 0 HA GLU A 43 -2.351 -7.522 -6.222 1.00 64.34 H new ATOM 0 HB2 GLU A 43 -3.688 -9.292 -4.137 1.00 62.11 H new ATOM 0 HB3 GLU A 43 -4.512 -8.131 -5.158 1.00 62.11 H new ATOM 0 HG2 GLU A 43 -3.786 -9.453 -7.182 1.00 72.22 H new ATOM 0 HG3 GLU A 43 -3.067 -10.642 -6.113 1.00 72.22 H new ATOM 693 N ALA A 44 -1.956 -7.407 -2.931 1.00 0.45 N ATOM 694 CA ALA A 44 -1.803 -6.588 -1.728 1.00 64.11 C ATOM 695 C ALA A 44 -0.849 -5.411 -1.963 1.00 30.55 C ATOM 696 O ALA A 44 -1.152 -4.274 -1.588 1.00 5.22 O ATOM 697 CB ALA A 44 -1.290 -7.462 -0.582 1.00 40.00 C ATOM 0 H ALA A 44 -1.762 -8.395 -2.767 1.00 0.45 H new ATOM 0 HA ALA A 44 -2.777 -6.173 -1.470 1.00 64.11 H new ATOM 0 HB1 ALA A 44 -1.175 -6.854 0.316 1.00 40.00 H new ATOM 0 HB2 ALA A 44 -2.003 -8.264 -0.389 1.00 40.00 H new ATOM 0 HB3 ALA A 44 -0.326 -7.891 -0.855 1.00 40.00 H new ATOM 703 N ALA A 45 0.292 -5.716 -2.616 1.00 5.02 N ATOM 704 CA ALA A 45 1.331 -4.734 -2.943 1.00 44.44 C ATOM 705 C ALA A 45 0.801 -3.624 -3.872 1.00 20.45 C ATOM 706 O ALA A 45 1.167 -2.454 -3.716 1.00 12.13 O ATOM 707 CB ALA A 45 2.541 -5.440 -3.570 1.00 62.33 C ATOM 0 H ALA A 45 0.514 -6.660 -2.931 1.00 5.02 H new ATOM 0 HA ALA A 45 1.641 -4.252 -2.016 1.00 44.44 H new ATOM 0 HB1 ALA A 45 3.308 -4.704 -3.810 1.00 62.33 H new ATOM 0 HB2 ALA A 45 2.944 -6.167 -2.865 1.00 62.33 H new ATOM 0 HB3 ALA A 45 2.232 -5.952 -4.481 1.00 62.33 H new ATOM 713 N GLU A 46 -0.070 -4.001 -4.832 1.00 64.22 N ATOM 714 CA GLU A 46 -0.701 -3.049 -5.771 1.00 62.24 C ATOM 715 C GLU A 46 -1.614 -2.066 -5.017 1.00 50.03 C ATOM 716 O GLU A 46 -1.638 -0.876 -5.327 1.00 52.10 O ATOM 717 CB GLU A 46 -1.493 -3.808 -6.867 1.00 14.13 C ATOM 718 CG GLU A 46 -2.181 -2.884 -7.899 1.00 3.42 C ATOM 719 CD GLU A 46 -3.025 -3.636 -8.934 1.00 13.40 C ATOM 720 OE1 GLU A 46 -3.945 -4.371 -8.525 1.00 53.40 O ATOM 721 OE2 GLU A 46 -2.803 -3.476 -10.160 1.00 74.40 O ATOM 0 H GLU A 46 -0.355 -4.970 -4.978 1.00 64.22 H new ATOM 0 HA GLU A 46 0.087 -2.474 -6.257 1.00 62.24 H new ATOM 0 HB2 GLU A 46 -0.814 -4.480 -7.392 1.00 14.13 H new ATOM 0 HB3 GLU A 46 -2.250 -4.429 -6.389 1.00 14.13 H new ATOM 0 HG2 GLU A 46 -2.818 -2.175 -7.370 1.00 3.42 H new ATOM 0 HG3 GLU A 46 -1.419 -2.303 -8.418 1.00 3.42 H new ATOM 728 N TYR A 47 -2.332 -2.578 -4.009 1.00 43.44 N ATOM 729 CA TYR A 47 -3.258 -1.776 -3.190 1.00 10.11 C ATOM 730 C TYR A 47 -2.512 -0.812 -2.254 1.00 41.00 C ATOM 731 O TYR A 47 -2.990 0.302 -2.011 1.00 12.35 O ATOM 732 CB TYR A 47 -4.194 -2.696 -2.382 1.00 31.24 C ATOM 733 CG TYR A 47 -5.194 -3.456 -3.247 1.00 10.33 C ATOM 734 CD1 TYR A 47 -6.146 -2.765 -3.995 1.00 14.02 C ATOM 735 CD2 TYR A 47 -5.195 -4.844 -3.322 1.00 60.32 C ATOM 736 CE1 TYR A 47 -7.059 -3.432 -4.774 1.00 5.13 C ATOM 737 CE2 TYR A 47 -6.105 -5.510 -4.106 1.00 43.40 C ATOM 738 CZ TYR A 47 -7.034 -4.805 -4.831 1.00 2.23 C ATOM 739 OH TYR A 47 -7.958 -5.477 -5.601 1.00 75.21 O ATOM 0 H TYR A 47 -2.289 -3.560 -3.736 1.00 43.44 H new ATOM 0 HA TYR A 47 -3.855 -1.170 -3.871 1.00 10.11 H new ATOM 0 HB2 TYR A 47 -3.592 -3.412 -1.822 1.00 31.24 H new ATOM 0 HB3 TYR A 47 -4.738 -2.097 -1.652 1.00 31.24 H new ATOM 0 HD1 TYR A 47 -6.166 -1.686 -3.961 1.00 14.02 H new ATOM 0 HD2 TYR A 47 -4.469 -5.408 -2.755 1.00 60.32 H new ATOM 0 HE1 TYR A 47 -7.794 -2.880 -5.340 1.00 5.13 H new ATOM 0 HE2 TYR A 47 -6.090 -6.589 -4.152 1.00 43.40 H new ATOM 0 HH TYR A 47 -7.510 -5.873 -6.378 1.00 75.21 H new ATOM 749 N PHE A 48 -1.352 -1.257 -1.734 1.00 72.42 N ATOM 750 CA PHE A 48 -0.461 -0.405 -0.924 1.00 32.31 C ATOM 751 C PHE A 48 0.118 0.728 -1.788 1.00 1.53 C ATOM 752 O PHE A 48 0.241 1.864 -1.335 1.00 21.23 O ATOM 753 CB PHE A 48 0.702 -1.232 -0.306 1.00 31.03 C ATOM 754 CG PHE A 48 0.289 -2.347 0.655 1.00 63.10 C ATOM 755 CD1 PHE A 48 -0.761 -2.161 1.544 1.00 51.30 C ATOM 756 CD2 PHE A 48 0.969 -3.571 0.684 1.00 74.23 C ATOM 757 CE1 PHE A 48 -1.130 -3.153 2.423 1.00 52.41 C ATOM 758 CE2 PHE A 48 0.595 -4.569 1.566 1.00 32.34 C ATOM 759 CZ PHE A 48 -0.455 -4.361 2.436 1.00 20.33 C ATOM 0 H PHE A 48 -1.009 -2.209 -1.862 1.00 72.42 H new ATOM 0 HA PHE A 48 -1.053 0.019 -0.113 1.00 32.31 H new ATOM 0 HB2 PHE A 48 1.280 -1.674 -1.118 1.00 31.03 H new ATOM 0 HB3 PHE A 48 1.366 -0.549 0.224 1.00 31.03 H new ATOM 0 HD1 PHE A 48 -1.296 -1.223 1.546 1.00 51.30 H new ATOM 0 HD2 PHE A 48 1.796 -3.738 0.009 1.00 74.23 H new ATOM 0 HE1 PHE A 48 -1.950 -2.988 3.106 1.00 52.41 H new ATOM 0 HE2 PHE A 48 1.125 -5.510 1.573 1.00 32.34 H new ATOM 0 HZ PHE A 48 -0.749 -5.139 3.125 1.00 20.33 H new ATOM 769 N PHE A 49 0.451 0.392 -3.046 1.00 2.21 N ATOM 770 CA PHE A 49 0.997 1.346 -4.020 1.00 41.45 C ATOM 771 C PHE A 49 -0.034 2.447 -4.351 1.00 50.11 C ATOM 772 O PHE A 49 0.282 3.640 -4.276 1.00 75.32 O ATOM 773 CB PHE A 49 1.435 0.605 -5.312 1.00 22.54 C ATOM 774 CG PHE A 49 1.980 1.541 -6.386 1.00 54.54 C ATOM 775 CD1 PHE A 49 3.173 2.219 -6.174 1.00 25.54 C ATOM 776 CD2 PHE A 49 1.294 1.770 -7.582 1.00 54.41 C ATOM 777 CE1 PHE A 49 3.663 3.084 -7.117 1.00 10.13 C ATOM 778 CE2 PHE A 49 1.794 2.648 -8.525 1.00 24.10 C ATOM 779 CZ PHE A 49 2.983 3.305 -8.289 1.00 71.45 C ATOM 0 H PHE A 49 0.348 -0.553 -3.415 1.00 2.21 H new ATOM 0 HA PHE A 49 1.871 1.824 -3.578 1.00 41.45 H new ATOM 0 HB2 PHE A 49 2.198 -0.131 -5.060 1.00 22.54 H new ATOM 0 HB3 PHE A 49 0.584 0.057 -5.715 1.00 22.54 H new ATOM 0 HD1 PHE A 49 3.720 2.063 -5.256 1.00 25.54 H new ATOM 0 HD2 PHE A 49 0.363 1.255 -7.771 1.00 54.41 H new ATOM 0 HE1 PHE A 49 4.595 3.598 -6.936 1.00 10.13 H new ATOM 0 HE2 PHE A 49 1.255 2.819 -9.445 1.00 24.10 H new ATOM 0 HZ PHE A 49 3.378 3.991 -9.024 1.00 71.45 H new ATOM 789 N ARG A 50 -1.262 2.015 -4.715 1.00 12.43 N ATOM 790 CA ARG A 50 -2.382 2.918 -5.062 1.00 43.10 C ATOM 791 C ARG A 50 -2.751 3.822 -3.864 1.00 50.23 C ATOM 792 O ARG A 50 -3.108 4.991 -4.043 1.00 13.42 O ATOM 793 CB ARG A 50 -3.636 2.112 -5.480 1.00 53.13 C ATOM 794 CG ARG A 50 -3.541 1.260 -6.763 1.00 62.31 C ATOM 795 CD ARG A 50 -4.848 0.462 -6.993 1.00 74.21 C ATOM 796 NE ARG A 50 -4.826 -0.361 -8.214 1.00 63.21 N ATOM 797 CZ ARG A 50 -5.801 -1.219 -8.578 1.00 30.30 C ATOM 798 NH1 ARG A 50 -6.892 -1.384 -7.820 1.00 13.43 N ATOM 799 NH2 ARG A 50 -5.677 -1.916 -9.701 1.00 71.14 N ATOM 0 H ARG A 50 -1.505 1.026 -4.777 1.00 12.43 H new ATOM 0 HA ARG A 50 -2.052 3.535 -5.898 1.00 43.10 H new ATOM 0 HB2 ARG A 50 -3.900 1.450 -4.656 1.00 53.13 H new ATOM 0 HB3 ARG A 50 -4.461 2.814 -5.603 1.00 53.13 H new ATOM 0 HG2 ARG A 50 -3.349 1.906 -7.620 1.00 62.31 H new ATOM 0 HG3 ARG A 50 -2.699 0.572 -6.686 1.00 62.31 H new ATOM 0 HD2 ARG A 50 -5.027 -0.183 -6.133 1.00 74.21 H new ATOM 0 HD3 ARG A 50 -5.685 1.158 -7.049 1.00 74.21 H new ATOM 0 HE ARG A 50 -4.016 -0.276 -8.828 1.00 63.21 H new ATOM 0 HH11 ARG A 50 -6.995 -0.857 -6.953 1.00 13.43 H new ATOM 0 HH12 ARG A 50 -7.620 -2.037 -8.110 1.00 13.43 H new ATOM 0 HH21 ARG A 50 -4.848 -1.801 -10.284 1.00 71.14 H new ATOM 0 HH22 ARG A 50 -6.411 -2.566 -9.981 1.00 71.14 H new ATOM 813 N ALA A 51 -2.676 3.233 -2.651 1.00 53.10 N ATOM 814 CA ALA A 51 -2.902 3.947 -1.383 1.00 3.32 C ATOM 815 C ALA A 51 -1.882 5.077 -1.236 1.00 51.12 C ATOM 816 O ALA A 51 -2.249 6.231 -0.998 1.00 63.43 O ATOM 817 CB ALA A 51 -2.800 2.970 -0.201 1.00 63.42 C ATOM 0 H ALA A 51 -2.456 2.245 -2.527 1.00 53.10 H new ATOM 0 HA ALA A 51 -3.903 4.378 -1.388 1.00 3.32 H new ATOM 0 HB1 ALA A 51 -2.969 3.508 0.732 1.00 63.42 H new ATOM 0 HB2 ALA A 51 -3.551 2.188 -0.310 1.00 63.42 H new ATOM 0 HB3 ALA A 51 -1.807 2.520 -0.186 1.00 63.42 H new ATOM 823 N ALA A 52 -0.602 4.714 -1.448 1.00 71.41 N ATOM 824 CA ALA A 52 0.544 5.621 -1.316 1.00 62.34 C ATOM 825 C ALA A 52 0.458 6.803 -2.301 1.00 52.11 C ATOM 826 O ALA A 52 0.936 7.889 -1.991 1.00 43.31 O ATOM 827 CB ALA A 52 1.849 4.841 -1.523 1.00 34.52 C ATOM 0 H ALA A 52 -0.336 3.767 -1.720 1.00 71.41 H new ATOM 0 HA ALA A 52 0.528 6.040 -0.310 1.00 62.34 H new ATOM 0 HB1 ALA A 52 2.697 5.518 -1.424 1.00 34.52 H new ATOM 0 HB2 ALA A 52 1.925 4.053 -0.774 1.00 34.52 H new ATOM 0 HB3 ALA A 52 1.853 4.397 -2.518 1.00 34.52 H new ATOM 833 N ILE A 53 -0.154 6.563 -3.488 1.00 63.44 N ATOM 834 CA ILE A 53 -0.434 7.612 -4.497 1.00 23.44 C ATOM 835 C ILE A 53 -1.333 8.719 -3.892 1.00 14.21 C ATOM 836 O ILE A 53 -1.022 9.914 -3.992 1.00 74.10 O ATOM 837 CB ILE A 53 -1.119 7.005 -5.797 1.00 31.13 C ATOM 838 CG1 ILE A 53 -0.175 5.988 -6.517 1.00 23.24 C ATOM 839 CG2 ILE A 53 -1.573 8.111 -6.784 1.00 51.45 C ATOM 840 CD1 ILE A 53 -0.795 5.269 -7.711 1.00 14.31 C ATOM 0 H ILE A 53 -0.467 5.635 -3.771 1.00 63.44 H new ATOM 0 HA ILE A 53 0.521 8.047 -4.792 1.00 23.44 H new ATOM 0 HB ILE A 53 -2.009 6.472 -5.462 1.00 31.13 H new ATOM 0 HG12 ILE A 53 0.716 6.518 -6.853 1.00 23.24 H new ATOM 0 HG13 ILE A 53 0.152 5.242 -5.792 1.00 23.24 H new ATOM 0 HG21 ILE A 53 -2.035 7.652 -7.658 1.00 51.45 H new ATOM 0 HG22 ILE A 53 -2.295 8.764 -6.292 1.00 51.45 H new ATOM 0 HG23 ILE A 53 -0.709 8.697 -7.097 1.00 51.45 H new ATOM 0 HD11 ILE A 53 -0.064 4.586 -8.144 1.00 14.31 H new ATOM 0 HD12 ILE A 53 -1.669 4.706 -7.383 1.00 14.31 H new ATOM 0 HD13 ILE A 53 -1.095 6.001 -8.461 1.00 14.31 H new ATOM 852 N VAL A 54 -2.430 8.287 -3.230 1.00 40.30 N ATOM 853 CA VAL A 54 -3.433 9.191 -2.623 1.00 3.15 C ATOM 854 C VAL A 54 -2.807 9.967 -1.439 1.00 64.44 C ATOM 855 O VAL A 54 -3.003 11.168 -1.296 1.00 21.34 O ATOM 856 CB VAL A 54 -4.718 8.400 -2.153 1.00 2.51 C ATOM 857 CG1 VAL A 54 -5.829 9.350 -1.626 1.00 42.14 C ATOM 858 CG2 VAL A 54 -5.253 7.505 -3.298 1.00 64.23 C ATOM 0 H VAL A 54 -2.645 7.298 -3.101 1.00 40.30 H new ATOM 0 HA VAL A 54 -3.747 9.904 -3.385 1.00 3.15 H new ATOM 0 HB VAL A 54 -4.423 7.762 -1.320 1.00 2.51 H new ATOM 0 HG11 VAL A 54 -6.693 8.762 -1.314 1.00 42.14 H new ATOM 0 HG12 VAL A 54 -5.450 9.917 -0.776 1.00 42.14 H new ATOM 0 HG13 VAL A 54 -6.125 10.038 -2.418 1.00 42.14 H new ATOM 0 HG21 VAL A 54 -6.138 6.968 -2.957 1.00 64.23 H new ATOM 0 HG22 VAL A 54 -5.514 8.127 -4.154 1.00 64.23 H new ATOM 0 HG23 VAL A 54 -4.484 6.790 -3.590 1.00 64.23 H new ATOM 868 N PHE A 55 -2.002 9.277 -0.630 1.00 74.53 N ATOM 869 CA PHE A 55 -1.338 9.890 0.538 1.00 32.14 C ATOM 870 C PHE A 55 -0.191 10.832 0.120 1.00 53.20 C ATOM 871 O PHE A 55 0.135 11.759 0.851 1.00 14.23 O ATOM 872 CB PHE A 55 -0.847 8.799 1.511 1.00 5.23 C ATOM 873 CG PHE A 55 -1.981 7.981 2.131 1.00 60.25 C ATOM 874 CD1 PHE A 55 -2.992 8.607 2.865 1.00 35.30 C ATOM 875 CD2 PHE A 55 -2.027 6.593 1.999 1.00 35.52 C ATOM 876 CE1 PHE A 55 -4.005 7.868 3.438 1.00 13.51 C ATOM 877 CE2 PHE A 55 -3.041 5.861 2.569 1.00 24.11 C ATOM 878 CZ PHE A 55 -4.025 6.500 3.289 1.00 2.12 C ATOM 0 H PHE A 55 -1.789 8.288 -0.757 1.00 74.53 H new ATOM 0 HA PHE A 55 -2.074 10.505 1.056 1.00 32.14 H new ATOM 0 HB2 PHE A 55 -0.172 8.127 0.981 1.00 5.23 H new ATOM 0 HB3 PHE A 55 -0.269 9.267 2.308 1.00 5.23 H new ATOM 0 HD1 PHE A 55 -2.980 9.680 2.985 1.00 35.30 H new ATOM 0 HD2 PHE A 55 -1.254 6.086 1.440 1.00 35.52 H new ATOM 0 HE1 PHE A 55 -4.782 8.362 4.003 1.00 13.51 H new ATOM 0 HE2 PHE A 55 -3.066 4.788 2.452 1.00 24.11 H new ATOM 0 HZ PHE A 55 -4.819 5.923 3.740 1.00 2.12 H new ATOM 888 N TYR A 56 0.409 10.580 -1.050 1.00 22.41 N ATOM 889 CA TYR A 56 1.493 11.427 -1.598 1.00 45.25 C ATOM 890 C TYR A 56 0.952 12.800 -2.057 1.00 34.21 C ATOM 891 O TYR A 56 1.528 13.846 -1.724 1.00 63.43 O ATOM 892 CB TYR A 56 2.198 10.697 -2.773 1.00 64.40 C ATOM 893 CG TYR A 56 3.276 11.537 -3.480 1.00 72.23 C ATOM 894 CD1 TYR A 56 4.447 11.920 -2.817 1.00 1.41 C ATOM 895 CD2 TYR A 56 3.115 11.966 -4.803 1.00 30.21 C ATOM 896 CE1 TYR A 56 5.410 12.683 -3.446 1.00 33.22 C ATOM 897 CE2 TYR A 56 4.073 12.731 -5.431 1.00 43.42 C ATOM 898 CZ TYR A 56 5.221 13.089 -4.750 1.00 2.42 C ATOM 899 OH TYR A 56 6.184 13.853 -5.383 1.00 40.22 O ATOM 0 H TYR A 56 0.164 9.789 -1.646 1.00 22.41 H new ATOM 0 HA TYR A 56 2.220 11.605 -0.806 1.00 45.25 H new ATOM 0 HB2 TYR A 56 2.655 9.782 -2.396 1.00 64.40 H new ATOM 0 HB3 TYR A 56 1.447 10.400 -3.505 1.00 64.40 H new ATOM 0 HD1 TYR A 56 4.600 11.613 -1.793 1.00 1.41 H new ATOM 0 HD2 TYR A 56 2.221 11.691 -5.343 1.00 30.21 H new ATOM 0 HE1 TYR A 56 6.310 12.961 -2.918 1.00 33.22 H new ATOM 0 HE2 TYR A 56 3.927 13.050 -6.452 1.00 43.42 H new ATOM 0 HH TYR A 56 5.894 14.052 -6.298 1.00 40.22 H new ATOM 909 N LYS A 57 -0.139 12.778 -2.847 1.00 21.11 N ATOM 910 CA LYS A 57 -0.810 14.009 -3.341 1.00 65.03 C ATOM 911 C LYS A 57 -1.472 14.818 -2.195 1.00 51.13 C ATOM 912 O LYS A 57 -1.608 16.040 -2.299 1.00 73.23 O ATOM 913 CB LYS A 57 -1.840 13.654 -4.452 1.00 21.14 C ATOM 914 CG LYS A 57 -2.985 12.728 -3.993 1.00 63.42 C ATOM 915 CD LYS A 57 -3.893 12.232 -5.144 1.00 60.11 C ATOM 916 CE LYS A 57 -3.141 11.376 -6.165 1.00 23.22 C ATOM 917 NZ LYS A 57 -4.021 10.892 -7.261 1.00 22.24 N ATOM 0 H LYS A 57 -0.582 11.915 -3.162 1.00 21.11 H new ATOM 0 HA LYS A 57 -0.043 14.653 -3.771 1.00 65.03 H new ATOM 0 HB2 LYS A 57 -2.270 14.578 -4.839 1.00 21.14 H new ATOM 0 HB3 LYS A 57 -1.313 13.177 -5.278 1.00 21.14 H new ATOM 0 HG2 LYS A 57 -2.558 11.865 -3.483 1.00 63.42 H new ATOM 0 HG3 LYS A 57 -3.597 13.258 -3.264 1.00 63.42 H new ATOM 0 HD2 LYS A 57 -4.717 11.652 -4.727 1.00 60.11 H new ATOM 0 HD3 LYS A 57 -4.332 13.091 -5.650 1.00 60.11 H new ATOM 0 HE2 LYS A 57 -2.323 11.958 -6.590 1.00 23.22 H new ATOM 0 HE3 LYS A 57 -2.694 10.521 -5.658 1.00 23.22 H new ATOM 0 HZ1 LYS A 57 -3.464 10.318 -7.925 1.00 22.24 H new ATOM 0 HZ2 LYS A 57 -4.787 10.314 -6.861 1.00 22.24 H new ATOM 0 HZ3 LYS A 57 -4.428 11.706 -7.764 1.00 22.24 H new ATOM 931 N GLU A 58 -1.885 14.137 -1.112 1.00 43.32 N ATOM 932 CA GLU A 58 -2.360 14.806 0.129 1.00 22.11 C ATOM 933 C GLU A 58 -1.180 15.185 1.045 1.00 20.44 C ATOM 934 O GLU A 58 -1.367 15.925 2.016 1.00 11.31 O ATOM 935 CB GLU A 58 -3.372 13.893 0.901 1.00 71.33 C ATOM 936 CG GLU A 58 -4.853 14.092 0.513 1.00 3.44 C ATOM 937 CD GLU A 58 -5.140 13.905 -0.990 1.00 41.53 C ATOM 938 OE1 GLU A 58 -5.281 12.747 -1.426 1.00 1.20 O ATOM 939 OE2 GLU A 58 -5.233 14.912 -1.739 1.00 53.02 O ATOM 0 H GLU A 58 -1.902 13.118 -1.064 1.00 43.32 H new ATOM 0 HA GLU A 58 -2.871 15.722 -0.166 1.00 22.11 H new ATOM 0 HB2 GLU A 58 -3.103 12.851 0.729 1.00 71.33 H new ATOM 0 HB3 GLU A 58 -3.263 14.078 1.970 1.00 71.33 H new ATOM 0 HG2 GLU A 58 -5.463 13.388 1.079 1.00 3.44 H new ATOM 0 HG3 GLU A 58 -5.164 15.094 0.809 1.00 3.44 H new ATOM 946 N HIS A 59 0.020 14.658 0.722 1.00 34.20 N ATOM 947 CA HIS A 59 1.267 14.851 1.507 1.00 62.30 C ATOM 948 C HIS A 59 1.112 14.333 2.954 1.00 34.25 C ATOM 949 O HIS A 59 1.804 14.786 3.874 1.00 12.23 O ATOM 950 CB HIS A 59 1.765 16.327 1.436 1.00 71.03 C ATOM 951 CG HIS A 59 2.169 16.745 0.045 1.00 22.03 C ATOM 952 ND1 HIS A 59 3.439 16.555 -0.455 1.00 41.32 N ATOM 953 CD2 HIS A 59 1.459 17.309 -0.958 1.00 63.54 C ATOM 954 CE1 HIS A 59 3.492 16.981 -1.698 1.00 44.32 C ATOM 955 NE2 HIS A 59 2.304 17.443 -2.026 1.00 14.11 N ATOM 0 H HIS A 59 0.156 14.076 -0.105 1.00 34.20 H new ATOM 0 HA HIS A 59 2.049 14.244 1.050 1.00 62.30 H new ATOM 0 HB2 HIS A 59 0.976 16.989 1.794 1.00 71.03 H new ATOM 0 HB3 HIS A 59 2.614 16.451 2.108 1.00 71.03 H new ATOM 0 HD1 HIS A 59 4.219 16.146 0.060 1.00 41.32 H new ATOM 0 HD2 HIS A 59 0.419 17.599 -0.923 1.00 63.54 H new ATOM 0 HE1 HIS A 59 4.361 16.956 -2.339 1.00 44.32 H new ATOM 964 N ASP A 60 0.222 13.331 3.111 1.00 14.13 N ATOM 965 CA ASP A 60 0.006 12.615 4.366 1.00 24.43 C ATOM 966 C ASP A 60 1.127 11.580 4.523 1.00 55.41 C ATOM 967 O ASP A 60 1.030 10.450 4.026 1.00 63.43 O ATOM 968 CB ASP A 60 -1.389 11.933 4.357 1.00 12.54 C ATOM 969 CG ASP A 60 -1.743 11.277 5.701 1.00 43.41 C ATOM 970 OD1 ASP A 60 -1.994 12.021 6.674 1.00 42.45 O ATOM 971 OD2 ASP A 60 -1.749 10.028 5.809 1.00 41.35 O ATOM 0 H ASP A 60 -0.372 12.998 2.351 1.00 14.13 H new ATOM 0 HA ASP A 60 0.028 13.305 5.209 1.00 24.43 H new ATOM 0 HB2 ASP A 60 -2.149 12.674 4.109 1.00 12.54 H new ATOM 0 HB3 ASP A 60 -1.413 11.177 3.572 1.00 12.54 H new ATOM 976 N THR A 61 2.217 12.029 5.165 1.00 75.14 N ATOM 977 CA THR A 61 3.443 11.241 5.354 1.00 11.11 C ATOM 978 C THR A 61 3.186 9.961 6.162 1.00 44.20 C ATOM 979 O THR A 61 3.924 8.990 6.008 1.00 4.15 O ATOM 980 CB THR A 61 4.560 12.086 6.055 1.00 53.31 C ATOM 981 OG1 THR A 61 4.076 12.605 7.307 1.00 75.54 O ATOM 982 CG2 THR A 61 5.035 13.250 5.174 1.00 1.30 C ATOM 0 H THR A 61 2.271 12.962 5.573 1.00 75.14 H new ATOM 0 HA THR A 61 3.783 10.956 4.358 1.00 11.11 H new ATOM 0 HB THR A 61 5.407 11.423 6.228 1.00 53.31 H new ATOM 0 HG1 THR A 61 4.782 13.130 7.738 1.00 75.54 H new ATOM 0 HG21 THR A 61 5.810 13.810 5.698 1.00 1.30 H new ATOM 0 HG22 THR A 61 5.439 12.858 4.240 1.00 1.30 H new ATOM 0 HG23 THR A 61 4.194 13.909 4.957 1.00 1.30 H new ATOM 990 N ASP A 62 2.138 9.980 7.018 1.00 11.34 N ATOM 991 CA ASP A 62 1.744 8.817 7.827 1.00 14.04 C ATOM 992 C ASP A 62 1.344 7.643 6.929 1.00 73.21 C ATOM 993 O ASP A 62 2.021 6.617 6.929 1.00 43.44 O ATOM 994 CB ASP A 62 0.567 9.170 8.789 1.00 71.40 C ATOM 995 CG ASP A 62 -0.106 7.919 9.411 1.00 63.13 C ATOM 996 OD1 ASP A 62 0.558 7.198 10.186 1.00 70.23 O ATOM 997 OD2 ASP A 62 -1.285 7.626 9.083 1.00 31.23 O ATOM 0 H ASP A 62 1.549 10.800 7.162 1.00 11.34 H new ATOM 0 HA ASP A 62 2.607 8.528 8.427 1.00 14.04 H new ATOM 0 HB2 ASP A 62 0.939 9.811 9.589 1.00 71.40 H new ATOM 0 HB3 ASP A 62 -0.181 9.744 8.243 1.00 71.40 H new ATOM 1002 N GLY A 63 0.285 7.848 6.121 1.00 54.52 N ATOM 1003 CA GLY A 63 -0.302 6.785 5.303 1.00 21.22 C ATOM 1004 C GLY A 63 0.606 6.354 4.168 1.00 11.03 C ATOM 1005 O GLY A 63 0.608 5.180 3.776 1.00 35.44 O ATOM 0 H GLY A 63 -0.180 8.751 6.022 1.00 54.52 H new ATOM 0 HA2 GLY A 63 -0.521 5.924 5.935 1.00 21.22 H new ATOM 0 HA3 GLY A 63 -1.251 7.129 4.893 1.00 21.22 H new ATOM 1009 N LEU A 64 1.360 7.328 3.635 1.00 21.45 N ATOM 1010 CA LEU A 64 2.382 7.105 2.601 1.00 60.31 C ATOM 1011 C LEU A 64 3.484 6.176 3.141 1.00 40.21 C ATOM 1012 O LEU A 64 3.905 5.237 2.459 1.00 23.43 O ATOM 1013 CB LEU A 64 2.972 8.474 2.166 1.00 34.01 C ATOM 1014 CG LEU A 64 4.131 8.449 1.116 1.00 21.10 C ATOM 1015 CD1 LEU A 64 3.700 7.816 -0.216 1.00 2.23 C ATOM 1016 CD2 LEU A 64 4.697 9.859 0.891 1.00 65.22 C ATOM 0 H LEU A 64 1.276 8.305 3.914 1.00 21.45 H new ATOM 0 HA LEU A 64 1.932 6.623 1.733 1.00 60.31 H new ATOM 0 HB2 LEU A 64 2.161 9.078 1.760 1.00 34.01 H new ATOM 0 HB3 LEU A 64 3.335 8.985 3.058 1.00 34.01 H new ATOM 0 HG LEU A 64 4.919 7.819 1.529 1.00 21.10 H new ATOM 0 HD11 LEU A 64 4.540 7.823 -0.911 1.00 2.23 H new ATOM 0 HD12 LEU A 64 3.380 6.788 -0.044 1.00 2.23 H new ATOM 0 HD13 LEU A 64 2.874 8.387 -0.640 1.00 2.23 H new ATOM 0 HD21 LEU A 64 5.501 9.815 0.157 1.00 65.22 H new ATOM 0 HD22 LEU A 64 3.907 10.514 0.525 1.00 65.22 H new ATOM 0 HD23 LEU A 64 5.085 10.250 1.832 1.00 65.22 H new ATOM 1028 N ARG A 65 3.909 6.441 4.394 1.00 75.15 N ATOM 1029 CA ARG A 65 4.940 5.644 5.080 1.00 12.41 C ATOM 1030 C ARG A 65 4.386 4.264 5.471 1.00 44.14 C ATOM 1031 O ARG A 65 5.118 3.287 5.419 1.00 11.35 O ATOM 1032 CB ARG A 65 5.469 6.394 6.331 1.00 11.50 C ATOM 1033 CG ARG A 65 6.661 5.713 7.038 1.00 41.41 C ATOM 1034 CD ARG A 65 7.274 6.588 8.145 1.00 5.33 C ATOM 1035 NE ARG A 65 8.486 5.975 8.712 1.00 52.45 N ATOM 1036 CZ ARG A 65 9.665 6.593 8.889 1.00 74.44 C ATOM 1037 NH1 ARG A 65 9.840 7.875 8.539 1.00 41.43 N ATOM 1038 NH2 ARG A 65 10.682 5.910 9.398 1.00 33.30 N ATOM 0 H ARG A 65 3.546 7.212 4.955 1.00 75.15 H new ATOM 0 HA ARG A 65 5.772 5.497 4.392 1.00 12.41 H new ATOM 0 HB2 ARG A 65 5.767 7.400 6.035 1.00 11.50 H new ATOM 0 HB3 ARG A 65 4.653 6.500 7.046 1.00 11.50 H new ATOM 0 HG2 ARG A 65 6.331 4.768 7.469 1.00 41.41 H new ATOM 0 HG3 ARG A 65 7.428 5.476 6.301 1.00 41.41 H new ATOM 0 HD2 ARG A 65 7.518 7.570 7.740 1.00 5.33 H new ATOM 0 HD3 ARG A 65 6.540 6.743 8.936 1.00 5.33 H new ATOM 0 HE ARG A 65 8.425 4.997 8.995 1.00 52.45 H new ATOM 0 HH11 ARG A 65 9.069 8.402 8.129 1.00 41.43 H new ATOM 0 HH12 ARG A 65 10.745 8.324 8.683 1.00 41.43 H new ATOM 0 HH21 ARG A 65 10.562 4.929 9.649 1.00 33.30 H new ATOM 0 HH22 ARG A 65 11.583 6.366 9.538 1.00 33.30 H new ATOM 1052 N ARG A 66 3.083 4.202 5.839 1.00 32.50 N ATOM 1053 CA ARG A 66 2.405 2.926 6.168 1.00 2.43 C ATOM 1054 C ARG A 66 2.444 1.994 4.949 1.00 22.50 C ATOM 1055 O ARG A 66 2.822 0.834 5.056 1.00 0.44 O ATOM 1056 CB ARG A 66 0.921 3.151 6.590 1.00 42.41 C ATOM 1057 CG ARG A 66 0.710 3.928 7.904 1.00 2.20 C ATOM 1058 CD ARG A 66 1.316 3.233 9.136 1.00 40.52 C ATOM 1059 NE ARG A 66 1.098 4.018 10.365 1.00 74.14 N ATOM 1060 CZ ARG A 66 1.251 3.552 11.615 1.00 24.23 C ATOM 1061 NH1 ARG A 66 1.612 2.292 11.849 1.00 32.54 N ATOM 1062 NH2 ARG A 66 1.042 4.363 12.636 1.00 11.51 N ATOM 0 H ARG A 66 2.481 5.022 5.915 1.00 32.50 H new ATOM 0 HA ARG A 66 2.934 2.477 7.009 1.00 2.43 H new ATOM 0 HB2 ARG A 66 0.411 3.685 5.788 1.00 42.41 H new ATOM 0 HB3 ARG A 66 0.438 2.179 6.683 1.00 42.41 H new ATOM 0 HG2 ARG A 66 1.150 4.920 7.804 1.00 2.20 H new ATOM 0 HG3 ARG A 66 -0.359 4.068 8.066 1.00 2.20 H new ATOM 0 HD2 ARG A 66 0.872 2.244 9.252 1.00 40.52 H new ATOM 0 HD3 ARG A 66 2.385 3.086 8.982 1.00 40.52 H new ATOM 0 HE ARG A 66 0.809 4.990 10.257 1.00 74.14 H new ATOM 0 HH11 ARG A 66 1.779 1.656 11.069 1.00 32.54 H new ATOM 0 HH12 ARG A 66 1.721 1.963 12.808 1.00 32.54 H new ATOM 0 HH21 ARG A 66 0.768 5.331 12.470 1.00 11.51 H new ATOM 0 HH22 ARG A 66 1.155 4.021 13.590 1.00 11.51 H new ATOM 1076 N ALA A 67 2.069 2.559 3.795 1.00 40.24 N ATOM 1077 CA ALA A 67 1.987 1.840 2.523 1.00 30.40 C ATOM 1078 C ALA A 67 3.378 1.391 2.038 1.00 71.43 C ATOM 1079 O ALA A 67 3.540 0.246 1.632 1.00 34.23 O ATOM 1080 CB ALA A 67 1.294 2.732 1.494 1.00 52.54 C ATOM 0 H ALA A 67 1.811 3.543 3.720 1.00 40.24 H new ATOM 0 HA ALA A 67 1.401 0.932 2.661 1.00 30.40 H new ATOM 0 HB1 ALA A 67 1.228 2.205 0.542 1.00 52.54 H new ATOM 0 HB2 ALA A 67 0.291 2.979 1.843 1.00 52.54 H new ATOM 0 HB3 ALA A 67 1.868 3.649 1.362 1.00 52.54 H new ATOM 1086 N ALA A 68 4.374 2.301 2.128 1.00 74.24 N ATOM 1087 CA ALA A 68 5.772 2.041 1.695 1.00 62.41 C ATOM 1088 C ALA A 68 6.460 0.961 2.559 1.00 4.50 C ATOM 1089 O ALA A 68 7.197 0.102 2.047 1.00 5.50 O ATOM 1090 CB ALA A 68 6.579 3.352 1.742 1.00 52.54 C ATOM 0 H ALA A 68 4.234 3.239 2.503 1.00 74.24 H new ATOM 0 HA ALA A 68 5.739 1.662 0.674 1.00 62.41 H new ATOM 0 HB1 ALA A 68 7.604 3.160 1.424 1.00 52.54 H new ATOM 0 HB2 ALA A 68 6.123 4.084 1.075 1.00 52.54 H new ATOM 0 HB3 ALA A 68 6.582 3.741 2.760 1.00 52.54 H new ATOM 1096 N LYS A 69 6.203 1.029 3.877 1.00 61.34 N ATOM 1097 CA LYS A 69 6.780 0.122 4.891 1.00 53.33 C ATOM 1098 C LYS A 69 6.134 -1.277 4.766 1.00 4.32 C ATOM 1099 O LYS A 69 6.826 -2.301 4.843 1.00 3.21 O ATOM 1100 CB LYS A 69 6.571 0.759 6.306 1.00 61.12 C ATOM 1101 CG LYS A 69 7.395 0.146 7.472 1.00 52.31 C ATOM 1102 CD LYS A 69 6.698 -1.035 8.181 1.00 23.31 C ATOM 1103 CE LYS A 69 7.595 -1.677 9.244 1.00 21.14 C ATOM 1104 NZ LYS A 69 6.908 -2.785 9.957 1.00 1.11 N ATOM 0 H LYS A 69 5.577 1.728 4.277 1.00 61.34 H new ATOM 0 HA LYS A 69 7.851 -0.010 4.736 1.00 53.33 H new ATOM 0 HB2 LYS A 69 6.810 1.820 6.241 1.00 61.12 H new ATOM 0 HB3 LYS A 69 5.514 0.685 6.560 1.00 61.12 H new ATOM 0 HG2 LYS A 69 8.356 -0.192 7.085 1.00 52.31 H new ATOM 0 HG3 LYS A 69 7.603 0.925 8.205 1.00 52.31 H new ATOM 0 HD2 LYS A 69 5.777 -0.685 8.647 1.00 23.31 H new ATOM 0 HD3 LYS A 69 6.416 -1.786 7.443 1.00 23.31 H new ATOM 0 HE2 LYS A 69 8.501 -2.056 8.772 1.00 21.14 H new ATOM 0 HE3 LYS A 69 7.904 -0.919 9.964 1.00 21.14 H new ATOM 0 HZ1 LYS A 69 7.147 -2.748 10.968 1.00 1.11 H new ATOM 0 HZ2 LYS A 69 5.879 -2.688 9.841 1.00 1.11 H new ATOM 0 HZ3 LYS A 69 7.216 -3.696 9.562 1.00 1.11 H new ATOM 1118 N SER A 70 4.807 -1.285 4.515 1.00 24.53 N ATOM 1119 CA SER A 70 4.017 -2.516 4.339 1.00 2.23 C ATOM 1120 C SER A 70 4.344 -3.180 2.990 1.00 71.11 C ATOM 1121 O SER A 70 4.252 -4.400 2.862 1.00 44.21 O ATOM 1122 CB SER A 70 2.502 -2.208 4.431 1.00 30.51 C ATOM 1123 OG SER A 70 1.720 -3.390 4.458 1.00 42.03 O ATOM 0 H SER A 70 4.254 -0.432 4.429 1.00 24.53 H new ATOM 0 HA SER A 70 4.280 -3.208 5.139 1.00 2.23 H new ATOM 0 HB2 SER A 70 2.305 -1.623 5.329 1.00 30.51 H new ATOM 0 HB3 SER A 70 2.204 -1.596 3.580 1.00 30.51 H new ATOM 0 HG SER A 70 1.231 -3.478 3.613 1.00 42.03 H new ATOM 1129 N LEU A 71 4.708 -2.343 1.994 1.00 30.34 N ATOM 1130 CA LEU A 71 5.110 -2.785 0.648 1.00 71.24 C ATOM 1131 C LEU A 71 6.350 -3.685 0.710 1.00 41.22 C ATOM 1132 O LEU A 71 6.316 -4.802 0.209 1.00 72.21 O ATOM 1133 CB LEU A 71 5.349 -1.548 -0.278 1.00 73.44 C ATOM 1134 CG LEU A 71 4.171 -1.191 -1.237 1.00 61.10 C ATOM 1135 CD1 LEU A 71 4.300 0.224 -1.811 1.00 1.23 C ATOM 1136 CD2 LEU A 71 4.058 -2.233 -2.365 1.00 63.35 C ATOM 0 H LEU A 71 4.730 -1.330 2.107 1.00 30.34 H new ATOM 0 HA LEU A 71 4.301 -3.378 0.222 1.00 71.24 H new ATOM 0 HB2 LEU A 71 5.560 -0.682 0.349 1.00 73.44 H new ATOM 0 HB3 LEU A 71 6.240 -1.732 -0.878 1.00 73.44 H new ATOM 0 HG LEU A 71 3.254 -1.212 -0.647 1.00 61.10 H new ATOM 0 HD11 LEU A 71 3.458 0.427 -2.472 1.00 1.23 H new ATOM 0 HD12 LEU A 71 4.304 0.948 -0.996 1.00 1.23 H new ATOM 0 HD13 LEU A 71 5.230 0.305 -2.373 1.00 1.23 H new ATOM 0 HD21 LEU A 71 3.231 -1.968 -3.024 1.00 63.35 H new ATOM 0 HD22 LEU A 71 4.986 -2.252 -2.937 1.00 63.35 H new ATOM 0 HD23 LEU A 71 3.877 -3.218 -1.934 1.00 63.35 H new ATOM 1148 N LYS A 72 7.421 -3.185 1.360 1.00 0.03 N ATOM 1149 CA LYS A 72 8.714 -3.893 1.471 1.00 20.51 C ATOM 1150 C LYS A 72 8.546 -5.276 2.155 1.00 64.21 C ATOM 1151 O LYS A 72 9.148 -6.274 1.729 1.00 44.21 O ATOM 1152 CB LYS A 72 9.715 -3.010 2.261 1.00 54.14 C ATOM 1153 CG LYS A 72 11.116 -3.640 2.446 1.00 30.41 C ATOM 1154 CD LYS A 72 12.071 -2.783 3.315 1.00 44.12 C ATOM 1155 CE LYS A 72 11.510 -2.494 4.720 1.00 13.34 C ATOM 1156 NZ LYS A 72 12.478 -1.729 5.552 1.00 74.15 N ATOM 0 H LYS A 72 7.414 -2.277 1.824 1.00 0.03 H new ATOM 0 HA LYS A 72 9.101 -4.073 0.468 1.00 20.51 H new ATOM 0 HB2 LYS A 72 9.824 -2.056 1.745 1.00 54.14 H new ATOM 0 HB3 LYS A 72 9.294 -2.795 3.243 1.00 54.14 H new ATOM 0 HG2 LYS A 72 11.006 -4.623 2.904 1.00 30.41 H new ATOM 0 HG3 LYS A 72 11.569 -3.793 1.466 1.00 30.41 H new ATOM 0 HD2 LYS A 72 13.027 -3.298 3.410 1.00 44.12 H new ATOM 0 HD3 LYS A 72 12.267 -1.839 2.807 1.00 44.12 H new ATOM 0 HE2 LYS A 72 10.581 -1.931 4.632 1.00 13.34 H new ATOM 0 HE3 LYS A 72 11.267 -3.434 5.216 1.00 13.34 H new ATOM 0 HZ1 LYS A 72 12.066 -1.553 6.491 1.00 74.15 H new ATOM 0 HZ2 LYS A 72 13.355 -2.278 5.656 1.00 74.15 H new ATOM 0 HZ3 LYS A 72 12.690 -0.821 5.091 1.00 74.15 H new ATOM 1170 N GLU A 73 7.691 -5.317 3.193 1.00 74.33 N ATOM 1171 CA GLU A 73 7.376 -6.558 3.931 1.00 1.23 C ATOM 1172 C GLU A 73 6.481 -7.481 3.088 1.00 1.12 C ATOM 1173 O GLU A 73 6.573 -8.707 3.190 1.00 21.12 O ATOM 1174 CB GLU A 73 6.684 -6.221 5.266 1.00 15.35 C ATOM 1175 CG GLU A 73 7.493 -5.288 6.182 1.00 34.52 C ATOM 1176 CD GLU A 73 6.741 -4.933 7.469 1.00 65.14 C ATOM 1177 OE1 GLU A 73 5.721 -4.220 7.386 1.00 53.34 O ATOM 1178 OE2 GLU A 73 7.159 -5.361 8.573 1.00 31.24 O ATOM 0 H GLU A 73 7.200 -4.495 3.544 1.00 74.33 H new ATOM 0 HA GLU A 73 8.310 -7.081 4.138 1.00 1.23 H new ATOM 0 HB2 GLU A 73 5.720 -5.757 5.055 1.00 15.35 H new ATOM 0 HB3 GLU A 73 6.481 -7.149 5.801 1.00 15.35 H new ATOM 0 HG2 GLU A 73 8.439 -5.766 6.438 1.00 34.52 H new ATOM 0 HG3 GLU A 73 7.734 -4.373 5.641 1.00 34.52 H new ATOM 1185 N ALA A 74 5.619 -6.874 2.252 1.00 32.52 N ATOM 1186 CA ALA A 74 4.769 -7.621 1.311 1.00 33.14 C ATOM 1187 C ALA A 74 5.631 -8.330 0.253 1.00 74.11 C ATOM 1188 O ALA A 74 5.280 -9.420 -0.169 1.00 21.34 O ATOM 1189 CB ALA A 74 3.724 -6.703 0.646 1.00 54.44 C ATOM 0 H ALA A 74 5.494 -5.863 2.210 1.00 32.52 H new ATOM 0 HA ALA A 74 4.226 -8.378 1.877 1.00 33.14 H new ATOM 0 HB1 ALA A 74 3.113 -7.286 -0.043 1.00 54.44 H new ATOM 0 HB2 ALA A 74 3.086 -6.262 1.413 1.00 54.44 H new ATOM 0 HB3 ALA A 74 4.233 -5.910 0.097 1.00 54.44 H new ATOM 1195 N ILE A 75 6.794 -7.721 -0.113 1.00 53.32 N ATOM 1196 CA ILE A 75 7.697 -8.255 -1.167 1.00 73.03 C ATOM 1197 C ILE A 75 8.321 -9.589 -0.734 1.00 25.42 C ATOM 1198 O ILE A 75 8.278 -10.578 -1.480 1.00 20.34 O ATOM 1199 CB ILE A 75 8.848 -7.251 -1.556 1.00 5.03 C ATOM 1200 CG1 ILE A 75 8.284 -5.843 -1.919 1.00 5.44 C ATOM 1201 CG2 ILE A 75 9.717 -7.811 -2.711 1.00 62.45 C ATOM 1202 CD1 ILE A 75 7.080 -5.833 -2.847 1.00 71.35 C ATOM 0 H ILE A 75 7.127 -6.855 0.311 1.00 53.32 H new ATOM 0 HA ILE A 75 7.071 -8.405 -2.047 1.00 73.03 H new ATOM 0 HB ILE A 75 9.485 -7.136 -0.679 1.00 5.03 H new ATOM 0 HG12 ILE A 75 8.012 -5.332 -0.995 1.00 5.44 H new ATOM 0 HG13 ILE A 75 9.081 -5.261 -2.382 1.00 5.44 H new ATOM 0 HG21 ILE A 75 10.502 -7.095 -2.956 1.00 62.45 H new ATOM 0 HG22 ILE A 75 10.169 -8.754 -2.402 1.00 62.45 H new ATOM 0 HG23 ILE A 75 9.092 -7.978 -3.588 1.00 62.45 H new ATOM 0 HD11 ILE A 75 6.772 -4.804 -3.032 1.00 71.35 H new ATOM 0 HD12 ILE A 75 7.345 -6.308 -3.792 1.00 71.35 H new ATOM 0 HD13 ILE A 75 6.259 -6.380 -2.384 1.00 71.35 H new ATOM 1214 N THR A 76 8.886 -9.608 0.490 1.00 22.45 N ATOM 1215 CA THR A 76 9.467 -10.826 1.079 1.00 41.22 C ATOM 1216 C THR A 76 8.361 -11.868 1.390 1.00 44.24 C ATOM 1217 O THR A 76 8.649 -13.048 1.586 1.00 23.04 O ATOM 1218 CB THR A 76 10.308 -10.504 2.369 1.00 71.30 C ATOM 1219 OG1 THR A 76 11.026 -11.670 2.823 1.00 35.40 O ATOM 1220 CG2 THR A 76 9.443 -9.975 3.526 1.00 30.44 C ATOM 0 H THR A 76 8.951 -8.787 1.091 1.00 22.45 H new ATOM 0 HA THR A 76 10.147 -11.253 0.342 1.00 41.22 H new ATOM 0 HB THR A 76 11.009 -9.721 2.080 1.00 71.30 H new ATOM 0 HG1 THR A 76 10.599 -12.477 2.466 1.00 35.40 H new ATOM 0 HG21 THR A 76 10.076 -9.770 4.389 1.00 30.44 H new ATOM 0 HG22 THR A 76 8.943 -9.057 3.216 1.00 30.44 H new ATOM 0 HG23 THR A 76 8.696 -10.723 3.793 1.00 30.44 H new ATOM 1228 N ALA A 77 7.093 -11.402 1.428 1.00 25.35 N ATOM 1229 CA ALA A 77 5.913 -12.247 1.659 1.00 41.32 C ATOM 1230 C ALA A 77 5.313 -12.793 0.345 1.00 23.11 C ATOM 1231 O ALA A 77 4.491 -13.713 0.401 1.00 72.04 O ATOM 1232 CB ALA A 77 4.861 -11.445 2.427 1.00 14.53 C ATOM 0 H ALA A 77 6.864 -10.417 1.297 1.00 25.35 H new ATOM 0 HA ALA A 77 6.229 -13.110 2.245 1.00 41.32 H new ATOM 0 HB1 ALA A 77 3.984 -12.068 2.601 1.00 14.53 H new ATOM 0 HB2 ALA A 77 5.274 -11.125 3.384 1.00 14.53 H new ATOM 0 HB3 ALA A 77 4.575 -10.569 1.845 1.00 14.53 H new ATOM 1238 N ILE A 78 5.687 -12.191 -0.817 1.00 4.14 N ATOM 1239 CA ILE A 78 5.239 -12.675 -2.146 1.00 71.41 C ATOM 1240 C ILE A 78 5.877 -14.062 -2.415 1.00 23.45 C ATOM 1241 O ILE A 78 7.111 -14.158 -2.493 1.00 13.12 O ATOM 1242 CB ILE A 78 5.604 -11.691 -3.347 1.00 34.32 C ATOM 1243 CG1 ILE A 78 5.067 -10.250 -3.110 1.00 72.00 C ATOM 1244 CG2 ILE A 78 5.047 -12.232 -4.688 1.00 54.30 C ATOM 1245 CD1 ILE A 78 5.538 -9.208 -4.119 1.00 43.15 C ATOM 0 H ILE A 78 6.295 -11.373 -0.857 1.00 4.14 H new ATOM 0 HA ILE A 78 4.151 -12.731 -2.110 1.00 71.41 H new ATOM 0 HB ILE A 78 6.692 -11.644 -3.394 1.00 34.32 H new ATOM 0 HG12 ILE A 78 3.977 -10.279 -3.123 1.00 72.00 H new ATOM 0 HG13 ILE A 78 5.365 -9.928 -2.112 1.00 72.00 H new ATOM 0 HG21 ILE A 78 5.307 -11.545 -5.494 1.00 54.30 H new ATOM 0 HG22 ILE A 78 5.479 -13.212 -4.892 1.00 54.30 H new ATOM 0 HG23 ILE A 78 3.963 -12.320 -4.623 1.00 54.30 H new ATOM 0 HD11 ILE A 78 5.109 -8.238 -3.867 1.00 43.15 H new ATOM 0 HD12 ILE A 78 6.626 -9.142 -4.093 1.00 43.15 H new ATOM 0 HD13 ILE A 78 5.216 -9.498 -5.119 1.00 43.15 H new ATOM 1369 N GLU A 86 8.107 -6.900 -10.143 1.00 3.51 N ATOM 1370 CA GLU A 86 7.083 -5.893 -10.489 1.00 52.22 C ATOM 1371 C GLU A 86 6.705 -5.078 -9.236 1.00 34.12 C ATOM 1372 O GLU A 86 6.743 -3.842 -9.241 1.00 22.12 O ATOM 1373 CB GLU A 86 5.810 -6.554 -11.122 1.00 5.20 C ATOM 1374 CG GLU A 86 5.151 -7.659 -10.277 1.00 33.32 C ATOM 1375 CD GLU A 86 3.843 -8.178 -10.865 1.00 31.44 C ATOM 1376 OE1 GLU A 86 3.880 -9.122 -11.682 1.00 22.21 O ATOM 1377 OE2 GLU A 86 2.765 -7.647 -10.512 1.00 24.52 O ATOM 0 HA GLU A 86 7.507 -5.224 -11.238 1.00 52.22 H new ATOM 0 HB2 GLU A 86 5.072 -5.774 -11.310 1.00 5.20 H new ATOM 0 HB3 GLU A 86 6.083 -6.974 -12.090 1.00 5.20 H new ATOM 0 HG2 GLU A 86 5.848 -8.490 -10.173 1.00 33.32 H new ATOM 0 HG3 GLU A 86 4.962 -7.275 -9.275 1.00 33.32 H new ATOM 1384 N ALA A 87 6.371 -5.800 -8.156 1.00 73.52 N ATOM 1385 CA ALA A 87 5.824 -5.215 -6.933 1.00 74.10 C ATOM 1386 C ALA A 87 6.907 -4.545 -6.089 1.00 32.11 C ATOM 1387 O ALA A 87 6.607 -3.606 -5.342 1.00 43.13 O ATOM 1388 CB ALA A 87 5.073 -6.286 -6.135 1.00 24.10 C ATOM 0 H ALA A 87 6.476 -6.814 -8.111 1.00 73.52 H new ATOM 0 HA ALA A 87 5.120 -4.431 -7.214 1.00 74.10 H new ATOM 0 HB1 ALA A 87 4.668 -5.844 -5.225 1.00 24.10 H new ATOM 0 HB2 ALA A 87 4.258 -6.685 -6.739 1.00 24.10 H new ATOM 0 HB3 ALA A 87 5.758 -7.092 -5.873 1.00 24.10 H new ATOM 1394 N LYS A 88 8.165 -5.036 -6.201 1.00 3.32 N ATOM 1395 CA LYS A 88 9.305 -4.455 -5.469 1.00 51.21 C ATOM 1396 C LYS A 88 9.657 -3.059 -6.034 1.00 24.42 C ATOM 1397 O LYS A 88 10.149 -2.185 -5.310 1.00 1.43 O ATOM 1398 CB LYS A 88 10.540 -5.388 -5.481 1.00 4.21 C ATOM 1399 CG LYS A 88 11.670 -4.911 -4.527 1.00 24.45 C ATOM 1400 CD LYS A 88 12.735 -5.990 -4.257 1.00 54.41 C ATOM 1401 CE LYS A 88 13.818 -5.529 -3.261 1.00 13.30 C ATOM 1402 NZ LYS A 88 14.887 -6.554 -3.089 1.00 41.42 N ATOM 0 H LYS A 88 8.410 -5.831 -6.791 1.00 3.32 H new ATOM 0 HA LYS A 88 9.003 -4.342 -4.428 1.00 51.21 H new ATOM 0 HB2 LYS A 88 10.232 -6.394 -5.196 1.00 4.21 H new ATOM 0 HB3 LYS A 88 10.931 -5.451 -6.496 1.00 4.21 H new ATOM 0 HG2 LYS A 88 12.153 -4.033 -4.957 1.00 24.45 H new ATOM 0 HG3 LYS A 88 11.229 -4.600 -3.580 1.00 24.45 H new ATOM 0 HD2 LYS A 88 12.248 -6.884 -3.868 1.00 54.41 H new ATOM 0 HD3 LYS A 88 13.209 -6.269 -5.198 1.00 54.41 H new ATOM 0 HE2 LYS A 88 14.261 -4.597 -3.612 1.00 13.30 H new ATOM 0 HE3 LYS A 88 13.358 -5.319 -2.296 1.00 13.30 H new ATOM 0 HZ1 LYS A 88 15.596 -6.206 -2.412 1.00 41.42 H new ATOM 0 HZ2 LYS A 88 14.468 -7.435 -2.730 1.00 41.42 H new ATOM 0 HZ3 LYS A 88 15.344 -6.736 -4.005 1.00 41.42 H new ATOM 1416 N GLU A 89 9.388 -2.877 -7.338 1.00 20.23 N ATOM 1417 CA GLU A 89 9.541 -1.585 -8.035 1.00 64.14 C ATOM 1418 C GLU A 89 8.518 -0.560 -7.505 1.00 4.31 C ATOM 1419 O GLU A 89 8.805 0.636 -7.419 1.00 70.33 O ATOM 1420 CB GLU A 89 9.369 -1.788 -9.562 1.00 42.43 C ATOM 1421 CG GLU A 89 10.312 -2.852 -10.159 1.00 2.32 C ATOM 1422 CD GLU A 89 10.121 -3.039 -11.670 1.00 41.32 C ATOM 1423 OE1 GLU A 89 10.769 -2.316 -12.461 1.00 62.42 O ATOM 1424 OE2 GLU A 89 9.331 -3.913 -12.080 1.00 62.11 O ATOM 0 H GLU A 89 9.056 -3.627 -7.944 1.00 20.23 H new ATOM 0 HA GLU A 89 10.541 -1.196 -7.842 1.00 64.14 H new ATOM 0 HB2 GLU A 89 8.337 -2.074 -9.767 1.00 42.43 H new ATOM 0 HB3 GLU A 89 9.543 -0.838 -10.067 1.00 42.43 H new ATOM 0 HG2 GLU A 89 11.345 -2.567 -9.961 1.00 2.32 H new ATOM 0 HG3 GLU A 89 10.142 -3.804 -9.656 1.00 2.32 H new ATOM 1431 N MET A 90 7.318 -1.068 -7.145 1.00 23.44 N ATOM 1432 CA MET A 90 6.233 -0.267 -6.539 1.00 52.33 C ATOM 1433 C MET A 90 6.557 0.051 -5.066 1.00 12.02 C ATOM 1434 O MET A 90 6.209 1.129 -4.567 1.00 43.23 O ATOM 1435 CB MET A 90 4.877 -1.011 -6.646 1.00 5.23 C ATOM 1436 CG MET A 90 4.490 -1.412 -8.077 1.00 73.22 C ATOM 1437 SD MET A 90 2.768 -1.931 -8.235 1.00 43.14 S ATOM 1438 CE MET A 90 2.669 -3.302 -7.086 1.00 4.15 C ATOM 0 H MET A 90 7.075 -2.051 -7.268 1.00 23.44 H new ATOM 0 HA MET A 90 6.153 0.671 -7.088 1.00 52.33 H new ATOM 0 HB2 MET A 90 4.918 -1.908 -6.028 1.00 5.23 H new ATOM 0 HB3 MET A 90 4.093 -0.375 -6.234 1.00 5.23 H new ATOM 0 HG2 MET A 90 4.670 -0.569 -8.744 1.00 73.22 H new ATOM 0 HG3 MET A 90 5.138 -2.224 -8.407 1.00 73.22 H new ATOM 0 HE1 MET A 90 1.638 -3.652 -7.025 1.00 4.15 H new ATOM 0 HE2 MET A 90 3.308 -4.114 -7.433 1.00 4.15 H new ATOM 0 HE3 MET A 90 3.001 -2.975 -6.100 1.00 4.15 H new ATOM 1448 N ALA A 91 7.224 -0.914 -4.394 1.00 74.43 N ATOM 1449 CA ALA A 91 7.723 -0.757 -3.018 1.00 34.31 C ATOM 1450 C ALA A 91 8.739 0.385 -2.943 1.00 2.40 C ATOM 1451 O ALA A 91 8.729 1.182 -2.000 1.00 34.22 O ATOM 1452 CB ALA A 91 8.340 -2.074 -2.519 1.00 0.30 C ATOM 0 H ALA A 91 7.430 -1.828 -4.798 1.00 74.43 H new ATOM 0 HA ALA A 91 6.884 -0.506 -2.369 1.00 34.31 H new ATOM 0 HB1 ALA A 91 8.704 -1.942 -1.500 1.00 0.30 H new ATOM 0 HB2 ALA A 91 7.584 -2.859 -2.535 1.00 0.30 H new ATOM 0 HB3 ALA A 91 9.170 -2.356 -3.167 1.00 0.30 H new ATOM 1458 N LYS A 92 9.604 0.448 -3.974 1.00 73.13 N ATOM 1459 CA LYS A 92 10.603 1.505 -4.122 1.00 20.53 C ATOM 1460 C LYS A 92 9.946 2.842 -4.503 1.00 24.10 C ATOM 1461 O LYS A 92 10.356 3.864 -3.987 1.00 72.20 O ATOM 1462 CB LYS A 92 11.696 1.102 -5.153 1.00 30.34 C ATOM 1463 CG LYS A 92 12.777 0.139 -4.595 1.00 53.33 C ATOM 1464 CD LYS A 92 13.552 0.766 -3.406 1.00 63.12 C ATOM 1465 CE LYS A 92 14.698 -0.115 -2.877 1.00 3.12 C ATOM 1466 NZ LYS A 92 15.772 -0.305 -3.884 1.00 55.51 N ATOM 0 H LYS A 92 9.623 -0.240 -4.727 1.00 73.13 H new ATOM 0 HA LYS A 92 11.090 1.639 -3.156 1.00 20.53 H new ATOM 0 HB2 LYS A 92 11.214 0.631 -6.010 1.00 30.34 H new ATOM 0 HB3 LYS A 92 12.185 2.005 -5.518 1.00 30.34 H new ATOM 0 HG2 LYS A 92 12.305 -0.789 -4.272 1.00 53.33 H new ATOM 0 HG3 LYS A 92 13.478 -0.120 -5.389 1.00 53.33 H new ATOM 0 HD2 LYS A 92 13.960 1.728 -3.717 1.00 63.12 H new ATOM 0 HD3 LYS A 92 12.853 0.964 -2.593 1.00 63.12 H new ATOM 0 HE2 LYS A 92 15.119 0.340 -1.981 1.00 3.12 H new ATOM 0 HE3 LYS A 92 14.301 -1.087 -2.584 1.00 3.12 H new ATOM 0 HZ1 LYS A 92 16.560 -0.833 -3.456 1.00 55.51 H new ATOM 0 HZ2 LYS A 92 15.398 -0.838 -4.694 1.00 55.51 H new ATOM 0 HZ3 LYS A 92 16.112 0.623 -4.208 1.00 55.51 H new ATOM 1480 N LYS A 93 8.919 2.813 -5.386 1.00 44.12 N ATOM 1481 CA LYS A 93 8.176 4.032 -5.825 1.00 13.25 C ATOM 1482 C LYS A 93 7.590 4.800 -4.615 1.00 32.32 C ATOM 1483 O LYS A 93 7.785 6.016 -4.490 1.00 41.31 O ATOM 1484 CB LYS A 93 7.036 3.652 -6.832 1.00 61.15 C ATOM 1485 CG LYS A 93 7.423 3.667 -8.332 1.00 51.13 C ATOM 1486 CD LYS A 93 7.541 5.106 -8.891 1.00 4.14 C ATOM 1487 CE LYS A 93 8.051 5.148 -10.343 1.00 45.41 C ATOM 1488 NZ LYS A 93 9.396 4.528 -10.475 1.00 62.34 N ATOM 0 H LYS A 93 8.579 1.952 -5.815 1.00 44.12 H new ATOM 0 HA LYS A 93 8.885 4.688 -6.330 1.00 13.25 H new ATOM 0 HB2 LYS A 93 6.673 2.655 -6.581 1.00 61.15 H new ATOM 0 HB3 LYS A 93 6.204 4.340 -6.685 1.00 61.15 H new ATOM 0 HG2 LYS A 93 8.372 3.148 -8.466 1.00 51.13 H new ATOM 0 HG3 LYS A 93 6.676 3.117 -8.904 1.00 51.13 H new ATOM 0 HD2 LYS A 93 6.566 5.591 -8.840 1.00 4.14 H new ATOM 0 HD3 LYS A 93 8.216 5.681 -8.258 1.00 4.14 H new ATOM 0 HE2 LYS A 93 7.346 4.627 -10.991 1.00 45.41 H new ATOM 0 HE3 LYS A 93 8.093 6.183 -10.684 1.00 45.41 H new ATOM 0 HZ1 LYS A 93 9.792 4.753 -11.410 1.00 62.34 H new ATOM 0 HZ2 LYS A 93 10.024 4.901 -9.735 1.00 62.34 H new ATOM 0 HZ3 LYS A 93 9.314 3.496 -10.372 1.00 62.34 H new ATOM 1502 N ALA A 94 6.891 4.062 -3.730 1.00 52.44 N ATOM 1503 CA ALA A 94 6.275 4.628 -2.512 1.00 0.44 C ATOM 1504 C ALA A 94 7.334 5.094 -1.501 1.00 71.30 C ATOM 1505 O ALA A 94 7.118 6.070 -0.769 1.00 14.23 O ATOM 1506 CB ALA A 94 5.315 3.615 -1.883 1.00 52.01 C ATOM 0 H ALA A 94 6.737 3.059 -3.838 1.00 52.44 H new ATOM 0 HA ALA A 94 5.705 5.510 -2.803 1.00 0.44 H new ATOM 0 HB1 ALA A 94 4.868 4.045 -0.987 1.00 52.01 H new ATOM 0 HB2 ALA A 94 4.529 3.367 -2.597 1.00 52.01 H new ATOM 0 HB3 ALA A 94 5.863 2.711 -1.617 1.00 52.01 H new ATOM 1512 N GLU A 95 8.482 4.388 -1.484 1.00 71.33 N ATOM 1513 CA GLU A 95 9.621 4.713 -0.609 1.00 31.31 C ATOM 1514 C GLU A 95 10.324 5.999 -1.115 1.00 51.45 C ATOM 1515 O GLU A 95 10.771 6.820 -0.319 1.00 42.42 O ATOM 1516 CB GLU A 95 10.610 3.499 -0.540 1.00 12.40 C ATOM 1517 CG GLU A 95 11.302 3.274 0.825 1.00 62.43 C ATOM 1518 CD GLU A 95 12.179 4.447 1.314 1.00 4.14 C ATOM 1519 OE1 GLU A 95 13.357 4.528 0.904 1.00 41.31 O ATOM 1520 OE2 GLU A 95 11.707 5.269 2.131 1.00 41.22 O ATOM 0 H GLU A 95 8.644 3.575 -2.079 1.00 71.33 H new ATOM 0 HA GLU A 95 9.262 4.904 0.402 1.00 31.31 H new ATOM 0 HB2 GLU A 95 10.063 2.593 -0.803 1.00 12.40 H new ATOM 0 HB3 GLU A 95 11.380 3.638 -1.299 1.00 12.40 H new ATOM 0 HG2 GLU A 95 10.536 3.075 1.575 1.00 62.43 H new ATOM 0 HG3 GLU A 95 11.922 2.380 0.758 1.00 62.43 H new ATOM 1527 N GLU A 96 10.364 6.175 -2.450 1.00 50.43 N ATOM 1528 CA GLU A 96 10.964 7.361 -3.100 1.00 72.41 C ATOM 1529 C GLU A 96 10.090 8.603 -2.852 1.00 64.03 C ATOM 1530 O GLU A 96 10.603 9.724 -2.790 1.00 10.35 O ATOM 1531 CB GLU A 96 11.143 7.128 -4.628 1.00 14.24 C ATOM 1532 CG GLU A 96 12.187 6.063 -5.031 1.00 54.42 C ATOM 1533 CD GLU A 96 13.639 6.424 -4.668 1.00 31.13 C ATOM 1534 OE1 GLU A 96 14.077 6.130 -3.535 1.00 1.45 O ATOM 1535 OE2 GLU A 96 14.358 6.992 -5.528 1.00 73.44 O ATOM 0 H GLU A 96 9.981 5.499 -3.111 1.00 50.43 H new ATOM 0 HA GLU A 96 11.949 7.526 -2.662 1.00 72.41 H new ATOM 0 HB2 GLU A 96 10.179 6.840 -5.047 1.00 14.24 H new ATOM 0 HB3 GLU A 96 11.422 8.075 -5.090 1.00 14.24 H new ATOM 0 HG2 GLU A 96 11.929 5.119 -4.550 1.00 54.42 H new ATOM 0 HG3 GLU A 96 12.124 5.900 -6.107 1.00 54.42 H new ATOM 1542 N TRP A 97 8.761 8.379 -2.742 1.00 61.25 N ATOM 1543 CA TRP A 97 7.800 9.430 -2.364 1.00 13.52 C ATOM 1544 C TRP A 97 8.000 9.831 -0.899 1.00 15.15 C ATOM 1545 O TRP A 97 7.889 11.007 -0.561 1.00 25.22 O ATOM 1546 CB TRP A 97 6.337 8.972 -2.587 1.00 31.21 C ATOM 1547 CG TRP A 97 5.974 8.716 -4.029 1.00 31.15 C ATOM 1548 CD1 TRP A 97 6.511 9.314 -5.129 1.00 5.44 C ATOM 1549 CD2 TRP A 97 4.968 7.821 -4.521 1.00 20.41 C ATOM 1550 NE1 TRP A 97 5.941 8.809 -6.266 1.00 23.52 N ATOM 1551 CE2 TRP A 97 4.994 7.893 -5.921 1.00 2.55 C ATOM 1552 CE3 TRP A 97 4.062 6.953 -3.912 1.00 44.21 C ATOM 1553 CZ2 TRP A 97 4.154 7.135 -6.720 1.00 12.44 C ATOM 1554 CZ3 TRP A 97 3.229 6.197 -4.707 1.00 11.34 C ATOM 1555 CH2 TRP A 97 3.288 6.293 -6.098 1.00 55.14 C ATOM 0 H TRP A 97 8.331 7.470 -2.912 1.00 61.25 H new ATOM 0 HA TRP A 97 7.986 10.292 -3.005 1.00 13.52 H new ATOM 0 HB2 TRP A 97 6.164 8.061 -2.015 1.00 31.21 H new ATOM 0 HB3 TRP A 97 5.667 9.732 -2.186 1.00 31.21 H new ATOM 0 HD1 TRP A 97 7.276 10.076 -5.107 1.00 5.44 H new ATOM 0 HE1 TRP A 97 6.186 9.076 -7.219 1.00 23.52 H new ATOM 0 HE3 TRP A 97 4.014 6.875 -2.836 1.00 44.21 H new ATOM 0 HZ2 TRP A 97 4.186 7.210 -7.797 1.00 12.44 H new ATOM 0 HZ3 TRP A 97 2.522 5.522 -4.248 1.00 11.34 H new ATOM 0 HH2 TRP A 97 2.628 5.682 -6.696 1.00 55.14 H new ATOM 1566 N LEU A 98 8.296 8.833 -0.040 1.00 31.50 N ATOM 1567 CA LEU A 98 8.595 9.068 1.382 1.00 14.03 C ATOM 1568 C LEU A 98 9.883 9.904 1.523 1.00 72.30 C ATOM 1569 O LEU A 98 9.929 10.843 2.312 1.00 50.14 O ATOM 1570 CB LEU A 98 8.729 7.727 2.155 1.00 12.51 C ATOM 1571 CG LEU A 98 8.944 7.862 3.698 1.00 24.40 C ATOM 1572 CD1 LEU A 98 7.762 8.595 4.366 1.00 10.02 C ATOM 1573 CD2 LEU A 98 9.199 6.485 4.353 1.00 75.52 C ATOM 0 H LEU A 98 8.333 7.851 -0.313 1.00 31.50 H new ATOM 0 HA LEU A 98 7.765 9.624 1.818 1.00 14.03 H new ATOM 0 HB2 LEU A 98 7.830 7.135 1.981 1.00 12.51 H new ATOM 0 HB3 LEU A 98 9.565 7.168 1.736 1.00 12.51 H new ATOM 0 HG LEU A 98 9.836 8.468 3.855 1.00 24.40 H new ATOM 0 HD11 LEU A 98 7.941 8.673 5.438 1.00 10.02 H new ATOM 0 HD12 LEU A 98 7.666 9.594 3.941 1.00 10.02 H new ATOM 0 HD13 LEU A 98 6.842 8.037 4.192 1.00 10.02 H new ATOM 0 HD21 LEU A 98 9.345 6.614 5.426 1.00 75.52 H new ATOM 0 HD22 LEU A 98 8.342 5.835 4.178 1.00 75.52 H new ATOM 0 HD23 LEU A 98 10.091 6.034 3.917 1.00 75.52 H new ATOM 1585 N GLN A 99 10.904 9.565 0.709 1.00 64.10 N ATOM 1586 CA GLN A 99 12.193 10.289 0.669 1.00 74.04 C ATOM 1587 C GLN A 99 12.012 11.718 0.109 1.00 21.40 C ATOM 1588 O GLN A 99 12.762 12.635 0.472 1.00 31.31 O ATOM 1589 CB GLN A 99 13.228 9.500 -0.180 1.00 41.31 C ATOM 1590 CG GLN A 99 13.615 8.119 0.401 1.00 63.03 C ATOM 1591 CD GLN A 99 14.299 8.187 1.778 1.00 5.34 C ATOM 1592 OE1 GLN A 99 15.035 9.130 2.089 1.00 23.11 O ATOM 1593 NE2 GLN A 99 14.063 7.190 2.610 1.00 3.22 N ATOM 0 H GLN A 99 10.858 8.780 0.059 1.00 64.10 H new ATOM 0 HA GLN A 99 12.566 10.373 1.690 1.00 74.04 H new ATOM 0 HB2 GLN A 99 12.824 9.358 -1.182 1.00 41.31 H new ATOM 0 HB3 GLN A 99 14.130 10.103 -0.282 1.00 41.31 H new ATOM 0 HG2 GLN A 99 12.717 7.507 0.483 1.00 63.03 H new ATOM 0 HG3 GLN A 99 14.281 7.616 -0.300 1.00 63.03 H new ATOM 0 HE21 GLN A 99 13.451 6.424 2.328 1.00 3.22 H new ATOM 0 HE22 GLN A 99 14.492 7.185 3.535 1.00 3.22 H new ATOM 1602 N ALA A 100 11.010 11.881 -0.782 1.00 64.21 N ATOM 1603 CA ALA A 100 10.632 13.188 -1.346 1.00 61.41 C ATOM 1604 C ALA A 100 10.041 14.100 -0.255 1.00 15.22 C ATOM 1605 O ALA A 100 10.381 15.288 -0.183 1.00 62.05 O ATOM 1606 CB ALA A 100 9.638 13.006 -2.512 1.00 60.21 C ATOM 0 H ALA A 100 10.442 11.108 -1.128 1.00 64.21 H new ATOM 0 HA ALA A 100 11.529 13.668 -1.736 1.00 61.41 H new ATOM 0 HB1 ALA A 100 9.369 13.982 -2.917 1.00 60.21 H new ATOM 0 HB2 ALA A 100 10.101 12.404 -3.294 1.00 60.21 H new ATOM 0 HB3 ALA A 100 8.741 12.504 -2.150 1.00 60.21 H new ATOM 1612 N GLU A 101 9.181 13.512 0.600 1.00 63.44 N ATOM 1613 CA GLU A 101 8.547 14.215 1.731 1.00 71.11 C ATOM 1614 C GLU A 101 9.593 14.624 2.781 1.00 44.11 C ATOM 1615 O GLU A 101 9.599 15.771 3.248 1.00 1.50 O ATOM 1616 CB GLU A 101 7.478 13.308 2.390 1.00 43.20 C ATOM 1617 CG GLU A 101 6.307 12.917 1.475 1.00 34.52 C ATOM 1618 CD GLU A 101 5.471 14.110 0.988 1.00 42.43 C ATOM 1619 OE1 GLU A 101 4.696 14.671 1.794 1.00 74.41 O ATOM 1620 OE2 GLU A 101 5.596 14.516 -0.191 1.00 33.14 O ATOM 0 H GLU A 101 8.906 12.533 0.525 1.00 63.44 H new ATOM 0 HA GLU A 101 8.071 15.116 1.344 1.00 71.11 H new ATOM 0 HB2 GLU A 101 7.963 12.398 2.744 1.00 43.20 H new ATOM 0 HB3 GLU A 101 7.080 13.819 3.267 1.00 43.20 H new ATOM 0 HG2 GLU A 101 6.698 12.383 0.609 1.00 34.52 H new ATOM 0 HG3 GLU A 101 5.657 12.225 2.010 1.00 34.52 H new