USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=18 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 Single : A 24 MET CE :methyl -155:sc= -0.124 (180deg=-0.67) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.657 USER MOD Single : A 30 ASN : amide:sc= -1.17 K(o=-1.2,f=-2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= 0.726 (180deg=0.382) USER MOD Single : A 38 MET CE :methyl 169:sc= -1.99 (180deg=-2.25!) USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00836) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 171:sc=-0.00458 (180deg=-0.114) USER MOD Single : A 59 HIS : no HE2:sc= 0.00702 K(o=0.007,f=-1.3) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0497) USER MOD Single : A 70 SER OG : rot -105:sc= 1.39 USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= -0.0265 (180deg=-0.23) USER MOD Single : A 76 THR OG1 : rot -6:sc= 0.628 USER MOD Single : A 88 LYS NZ :NH3+ 167:sc= -0.0314 (180deg=-0.223) USER MOD Single : A 90 MET CE :methyl -153:sc= -1.35 (180deg=-2.93!) USER MOD Single : A 92 LYS NZ :NH3+ 144:sc= 0.802 (180deg=0.129) USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0402) USER MOD Single : A 99 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -10.381 8.783 0.898 1.00 43.14 N ATOM 369 CA MET A 24 -9.948 7.545 0.227 1.00 64.03 C ATOM 370 C MET A 24 -8.424 7.404 0.273 1.00 25.51 C ATOM 371 O MET A 24 -7.716 8.274 0.799 1.00 23.42 O ATOM 372 CB MET A 24 -10.480 7.538 -1.233 1.00 74.55 C ATOM 373 CG MET A 24 -12.004 7.360 -1.336 1.00 50.30 C ATOM 374 SD MET A 24 -12.678 8.011 -2.860 1.00 41.22 S ATOM 375 CE MET A 24 -12.457 9.763 -2.583 1.00 0.11 C ATOM 0 HA MET A 24 -10.363 6.685 0.752 1.00 64.03 H new ATOM 0 HB2 MET A 24 -10.199 8.473 -1.717 1.00 74.55 H new ATOM 0 HB3 MET A 24 -9.991 6.735 -1.784 1.00 74.55 H new ATOM 0 HG2 MET A 24 -12.247 6.300 -1.260 1.00 50.30 H new ATOM 0 HG3 MET A 24 -12.481 7.858 -0.492 1.00 50.30 H new ATOM 0 HE1 MET A 24 -13.183 10.320 -3.176 1.00 0.11 H new ATOM 0 HE2 MET A 24 -12.605 9.986 -1.526 1.00 0.11 H new ATOM 0 HE3 MET A 24 -11.449 10.054 -2.878 1.00 0.11 H new ATOM 385 N GLY A 25 -7.938 6.285 -0.295 1.00 34.30 N ATOM 386 CA GLY A 25 -6.536 5.873 -0.201 1.00 20.42 C ATOM 387 C GLY A 25 -6.371 4.808 0.864 1.00 42.53 C ATOM 388 O GLY A 25 -5.747 3.761 0.627 1.00 75.30 O ATOM 0 H GLY A 25 -8.516 5.641 -0.835 1.00 34.30 H new ATOM 0 HA2 GLY A 25 -6.197 5.490 -1.164 1.00 20.42 H new ATOM 0 HA3 GLY A 25 -5.912 6.734 0.037 1.00 20.42 H new ATOM 392 N ARG A 26 -6.973 5.090 2.043 1.00 40.41 N ATOM 393 CA ARG A 26 -7.046 4.160 3.181 1.00 44.13 C ATOM 394 C ARG A 26 -7.667 2.824 2.753 1.00 3.11 C ATOM 395 O ARG A 26 -7.134 1.764 3.067 1.00 73.24 O ATOM 396 CB ARG A 26 -7.891 4.767 4.344 1.00 4.43 C ATOM 397 CG ARG A 26 -8.069 3.807 5.547 1.00 24.51 C ATOM 398 CD ARG A 26 -9.075 4.287 6.601 1.00 41.31 C ATOM 399 NE ARG A 26 -9.296 3.257 7.639 1.00 11.44 N ATOM 400 CZ ARG A 26 -9.156 3.433 8.965 1.00 4.44 C ATOM 401 NH1 ARG A 26 -8.786 4.608 9.476 1.00 62.04 N ATOM 402 NH2 ARG A 26 -9.399 2.426 9.783 1.00 44.12 N ATOM 0 H ARG A 26 -7.427 5.985 2.227 1.00 40.41 H new ATOM 0 HA ARG A 26 -6.027 3.989 3.530 1.00 44.13 H new ATOM 0 HB2 ARG A 26 -7.413 5.684 4.689 1.00 4.43 H new ATOM 0 HB3 ARG A 26 -8.874 5.044 3.962 1.00 4.43 H new ATOM 0 HG2 ARG A 26 -8.389 2.834 5.175 1.00 24.51 H new ATOM 0 HG3 ARG A 26 -7.101 3.662 6.026 1.00 24.51 H new ATOM 0 HD2 ARG A 26 -8.709 5.203 7.066 1.00 41.31 H new ATOM 0 HD3 ARG A 26 -10.022 4.530 6.119 1.00 41.31 H new ATOM 0 HE ARG A 26 -9.580 2.330 7.321 1.00 11.44 H new ATOM 0 HH11 ARG A 26 -8.602 5.398 8.857 1.00 62.04 H new ATOM 0 HH12 ARG A 26 -8.687 4.717 10.485 1.00 62.04 H new ATOM 0 HH21 ARG A 26 -9.690 1.523 9.408 1.00 44.12 H new ATOM 0 HH22 ARG A 26 -9.295 2.551 10.790 1.00 44.12 H new ATOM 416 N ALA A 27 -8.796 2.914 2.019 1.00 64.11 N ATOM 417 CA ALA A 27 -9.590 1.752 1.606 1.00 23.21 C ATOM 418 C ALA A 27 -8.770 0.734 0.792 1.00 14.11 C ATOM 419 O ALA A 27 -8.927 -0.466 1.006 1.00 74.31 O ATOM 420 CB ALA A 27 -10.818 2.210 0.822 1.00 63.43 C ATOM 0 H ALA A 27 -9.179 3.803 1.698 1.00 64.11 H new ATOM 0 HA ALA A 27 -9.911 1.238 2.512 1.00 23.21 H new ATOM 0 HB1 ALA A 27 -11.402 1.341 0.519 1.00 63.43 H new ATOM 0 HB2 ALA A 27 -11.430 2.857 1.450 1.00 63.43 H new ATOM 0 HB3 ALA A 27 -10.500 2.760 -0.064 1.00 63.43 H new ATOM 426 N LEU A 28 -7.878 1.219 -0.117 1.00 62.15 N ATOM 427 CA LEU A 28 -6.988 0.324 -0.898 1.00 22.41 C ATOM 428 C LEU A 28 -5.995 -0.390 0.029 1.00 11.11 C ATOM 429 O LEU A 28 -5.812 -1.601 -0.071 1.00 54.31 O ATOM 430 CB LEU A 28 -6.225 1.065 -2.026 1.00 72.23 C ATOM 431 CG LEU A 28 -7.087 1.467 -3.250 1.00 3.42 C ATOM 432 CD1 LEU A 28 -6.268 2.239 -4.292 1.00 41.41 C ATOM 433 CD2 LEU A 28 -7.804 0.255 -3.888 1.00 15.15 C ATOM 0 H LEU A 28 -7.760 2.211 -0.322 1.00 62.15 H new ATOM 0 HA LEU A 28 -7.633 -0.412 -1.379 1.00 22.41 H new ATOM 0 HB2 LEU A 28 -5.774 1.965 -1.608 1.00 72.23 H new ATOM 0 HB3 LEU A 28 -5.409 0.429 -2.369 1.00 72.23 H new ATOM 0 HG LEU A 28 -7.862 2.135 -2.876 1.00 3.42 H new ATOM 0 HD11 LEU A 28 -6.907 2.503 -5.134 1.00 41.41 H new ATOM 0 HD12 LEU A 28 -5.869 3.147 -3.841 1.00 41.41 H new ATOM 0 HD13 LEU A 28 -5.445 1.616 -4.642 1.00 41.41 H new ATOM 0 HD21 LEU A 28 -8.395 0.589 -4.741 1.00 15.15 H new ATOM 0 HD22 LEU A 28 -7.063 -0.472 -4.222 1.00 15.15 H new ATOM 0 HD23 LEU A 28 -8.460 -0.208 -3.152 1.00 15.15 H new ATOM 445 N TYR A 29 -5.392 0.394 0.947 1.00 32.13 N ATOM 446 CA TYR A 29 -4.441 -0.103 1.964 1.00 4.12 C ATOM 447 C TYR A 29 -5.087 -1.205 2.839 1.00 53.22 C ATOM 448 O TYR A 29 -4.452 -2.211 3.148 1.00 61.31 O ATOM 449 CB TYR A 29 -3.957 1.097 2.845 1.00 14.22 C ATOM 450 CG TYR A 29 -2.987 0.719 3.976 1.00 24.04 C ATOM 451 CD1 TYR A 29 -1.677 0.342 3.689 1.00 24.44 C ATOM 452 CD2 TYR A 29 -3.384 0.717 5.319 1.00 31.10 C ATOM 453 CE1 TYR A 29 -0.802 -0.023 4.684 1.00 61.23 C ATOM 454 CE2 TYR A 29 -2.508 0.345 6.316 1.00 44.32 C ATOM 455 CZ TYR A 29 -1.219 -0.022 5.994 1.00 4.43 C ATOM 456 OH TYR A 29 -0.349 -0.413 6.984 1.00 24.34 O ATOM 0 H TYR A 29 -5.553 1.400 1.004 1.00 32.13 H new ATOM 0 HA TYR A 29 -3.583 -0.550 1.461 1.00 4.12 H new ATOM 0 HB2 TYR A 29 -3.472 1.830 2.200 1.00 14.22 H new ATOM 0 HB3 TYR A 29 -4.829 1.584 3.281 1.00 14.22 H new ATOM 0 HD1 TYR A 29 -1.342 0.336 2.662 1.00 24.44 H new ATOM 0 HD2 TYR A 29 -4.391 1.011 5.577 1.00 31.10 H new ATOM 0 HE1 TYR A 29 0.210 -0.310 4.438 1.00 61.23 H new ATOM 0 HE2 TYR A 29 -2.831 0.341 7.347 1.00 44.32 H new ATOM 0 HH TYR A 29 -0.796 -0.355 7.854 1.00 24.34 H new ATOM 466 N ASN A 30 -6.375 -0.998 3.190 1.00 32.12 N ATOM 467 CA ASN A 30 -7.145 -1.882 4.094 1.00 14.14 C ATOM 468 C ASN A 30 -7.524 -3.201 3.398 1.00 70.41 C ATOM 469 O ASN A 30 -7.534 -4.263 4.037 1.00 23.25 O ATOM 470 CB ASN A 30 -8.401 -1.125 4.603 1.00 31.32 C ATOM 471 CG ASN A 30 -8.108 -0.002 5.623 1.00 33.12 C ATOM 472 OD1 ASN A 30 -8.988 0.376 6.395 1.00 14.21 O ATOM 473 ND2 ASN A 30 -6.891 0.552 5.647 1.00 3.51 N ATOM 0 H ASN A 30 -6.916 -0.203 2.850 1.00 32.12 H new ATOM 0 HA ASN A 30 -6.523 -2.147 4.949 1.00 14.14 H new ATOM 0 HB2 ASN A 30 -8.920 -0.694 3.747 1.00 31.32 H new ATOM 0 HB3 ASN A 30 -9.082 -1.844 5.060 1.00 31.32 H new ATOM 0 HD21 ASN A 30 -6.683 1.298 6.311 1.00 3.51 H new ATOM 0 HD22 ASN A 30 -6.171 0.229 5.001 1.00 3.51 H new ATOM 480 N ILE A 31 -7.832 -3.120 2.083 1.00 4.31 N ATOM 481 CA ILE A 31 -8.035 -4.310 1.233 1.00 1.15 C ATOM 482 C ILE A 31 -6.716 -5.100 1.151 1.00 24.13 C ATOM 483 O ILE A 31 -6.707 -6.327 1.297 1.00 31.31 O ATOM 484 CB ILE A 31 -8.513 -3.939 -0.232 1.00 10.34 C ATOM 485 CG1 ILE A 31 -9.883 -3.204 -0.213 1.00 15.22 C ATOM 486 CG2 ILE A 31 -8.594 -5.190 -1.140 1.00 61.32 C ATOM 487 CD1 ILE A 31 -10.348 -2.684 -1.566 1.00 32.44 C ATOM 0 H ILE A 31 -7.945 -2.236 1.588 1.00 4.31 H new ATOM 0 HA ILE A 31 -8.823 -4.909 1.690 1.00 1.15 H new ATOM 0 HB ILE A 31 -7.764 -3.264 -0.647 1.00 10.34 H new ATOM 0 HG12 ILE A 31 -10.639 -3.885 0.178 1.00 15.22 H new ATOM 0 HG13 ILE A 31 -9.820 -2.365 0.480 1.00 15.22 H new ATOM 0 HG21 ILE A 31 -8.925 -4.896 -2.136 1.00 61.32 H new ATOM 0 HG22 ILE A 31 -7.611 -5.655 -1.207 1.00 61.32 H new ATOM 0 HG23 ILE A 31 -9.304 -5.901 -0.717 1.00 61.32 H new ATOM 0 HD11 ILE A 31 -11.311 -2.187 -1.453 1.00 32.44 H new ATOM 0 HD12 ILE A 31 -9.617 -1.975 -1.954 1.00 32.44 H new ATOM 0 HD13 ILE A 31 -10.449 -3.518 -2.261 1.00 32.44 H new ATOM 499 N GLY A 32 -5.612 -4.346 0.950 1.00 32.12 N ATOM 500 CA GLY A 32 -4.277 -4.906 0.791 1.00 32.20 C ATOM 501 C GLY A 32 -3.787 -5.651 2.025 1.00 34.23 C ATOM 502 O GLY A 32 -3.091 -6.660 1.897 1.00 25.40 O ATOM 0 H GLY A 32 -5.636 -3.328 0.895 1.00 32.12 H new ATOM 0 HA2 GLY A 32 -4.275 -5.586 -0.061 1.00 32.20 H new ATOM 0 HA3 GLY A 32 -3.578 -4.102 0.559 1.00 32.20 H new ATOM 506 N LEU A 33 -4.146 -5.132 3.224 1.00 40.51 N ATOM 507 CA LEU A 33 -3.826 -5.782 4.513 1.00 13.44 C ATOM 508 C LEU A 33 -4.445 -7.182 4.562 1.00 21.11 C ATOM 509 O LEU A 33 -3.807 -8.128 5.026 1.00 51.53 O ATOM 510 CB LEU A 33 -4.318 -4.931 5.727 1.00 53.02 C ATOM 511 CG LEU A 33 -3.569 -3.585 5.977 1.00 24.44 C ATOM 512 CD1 LEU A 33 -4.202 -2.801 7.146 1.00 54.44 C ATOM 513 CD2 LEU A 33 -2.054 -3.811 6.204 1.00 44.02 C ATOM 0 H LEU A 33 -4.662 -4.257 3.322 1.00 40.51 H new ATOM 0 HA LEU A 33 -2.741 -5.863 4.586 1.00 13.44 H new ATOM 0 HB2 LEU A 33 -5.376 -4.712 5.585 1.00 53.02 H new ATOM 0 HB3 LEU A 33 -4.236 -5.540 6.627 1.00 53.02 H new ATOM 0 HG LEU A 33 -3.676 -2.979 5.077 1.00 24.44 H new ATOM 0 HD11 LEU A 33 -3.658 -1.868 7.295 1.00 54.44 H new ATOM 0 HD12 LEU A 33 -5.244 -2.580 6.914 1.00 54.44 H new ATOM 0 HD13 LEU A 33 -4.152 -3.400 8.055 1.00 54.44 H new ATOM 0 HD21 LEU A 33 -1.565 -2.852 6.375 1.00 44.02 H new ATOM 0 HD22 LEU A 33 -1.908 -4.453 7.073 1.00 44.02 H new ATOM 0 HD23 LEU A 33 -1.621 -4.287 5.324 1.00 44.02 H new ATOM 525 N GLU A 34 -5.687 -7.290 4.050 1.00 22.35 N ATOM 526 CA GLU A 34 -6.432 -8.554 4.011 1.00 63.15 C ATOM 527 C GLU A 34 -5.929 -9.481 2.900 1.00 61.11 C ATOM 528 O GLU A 34 -6.014 -10.698 3.049 1.00 13.21 O ATOM 529 CB GLU A 34 -7.958 -8.297 3.893 1.00 60.24 C ATOM 530 CG GLU A 34 -8.572 -7.670 5.160 1.00 32.41 C ATOM 531 CD GLU A 34 -8.223 -8.478 6.434 1.00 0.50 C ATOM 532 OE1 GLU A 34 -8.763 -9.588 6.628 1.00 41.13 O ATOM 533 OE2 GLU A 34 -7.374 -8.029 7.228 1.00 13.22 O ATOM 0 H GLU A 34 -6.197 -6.501 3.653 1.00 22.35 H new ATOM 0 HA GLU A 34 -6.252 -9.068 4.955 1.00 63.15 H new ATOM 0 HB2 GLU A 34 -8.144 -7.639 3.044 1.00 60.24 H new ATOM 0 HB3 GLU A 34 -8.463 -9.240 3.682 1.00 60.24 H new ATOM 0 HG2 GLU A 34 -8.212 -6.647 5.269 1.00 32.41 H new ATOM 0 HG3 GLU A 34 -9.655 -7.617 5.050 1.00 32.41 H new ATOM 540 N LYS A 35 -5.396 -8.912 1.800 1.00 21.33 N ATOM 541 CA LYS A 35 -4.787 -9.708 0.714 1.00 15.31 C ATOM 542 C LYS A 35 -3.514 -10.399 1.232 1.00 71.15 C ATOM 543 O LYS A 35 -3.375 -11.606 1.106 1.00 13.32 O ATOM 544 CB LYS A 35 -4.466 -8.818 -0.512 1.00 55.24 C ATOM 545 CG LYS A 35 -5.690 -8.153 -1.162 1.00 52.55 C ATOM 546 CD LYS A 35 -6.632 -9.149 -1.893 1.00 4.55 C ATOM 547 CE LYS A 35 -7.919 -8.457 -2.382 1.00 15.03 C ATOM 548 NZ LYS A 35 -8.748 -9.312 -3.256 1.00 22.23 N ATOM 0 H LYS A 35 -5.375 -7.905 1.640 1.00 21.33 H new ATOM 0 HA LYS A 35 -5.500 -10.468 0.394 1.00 15.31 H new ATOM 0 HB2 LYS A 35 -3.767 -8.040 -0.206 1.00 55.24 H new ATOM 0 HB3 LYS A 35 -3.959 -9.425 -1.262 1.00 55.24 H new ATOM 0 HG2 LYS A 35 -6.258 -7.629 -0.393 1.00 52.55 H new ATOM 0 HG3 LYS A 35 -5.348 -7.402 -1.874 1.00 52.55 H new ATOM 0 HD2 LYS A 35 -6.109 -9.589 -2.742 1.00 4.55 H new ATOM 0 HD3 LYS A 35 -6.891 -9.967 -1.220 1.00 4.55 H new ATOM 0 HE2 LYS A 35 -8.510 -8.152 -1.518 1.00 15.03 H new ATOM 0 HE3 LYS A 35 -7.652 -7.549 -2.922 1.00 15.03 H new ATOM 0 HZ1 LYS A 35 -9.597 -8.788 -3.550 1.00 22.23 H new ATOM 0 HZ2 LYS A 35 -8.200 -9.583 -4.097 1.00 22.23 H new ATOM 0 HZ3 LYS A 35 -9.031 -10.168 -2.737 1.00 22.23 H new ATOM 562 N ASN A 36 -2.637 -9.614 1.885 1.00 70.34 N ATOM 563 CA ASN A 36 -1.362 -10.106 2.474 1.00 14.20 C ATOM 564 C ASN A 36 -1.647 -11.121 3.613 1.00 31.42 C ATOM 565 O ASN A 36 -0.893 -12.081 3.818 1.00 15.11 O ATOM 566 CB ASN A 36 -0.536 -8.893 2.995 1.00 45.44 C ATOM 567 CG ASN A 36 0.909 -9.214 3.402 1.00 33.34 C ATOM 568 OD1 ASN A 36 1.542 -10.126 2.867 1.00 50.21 O ATOM 569 ND2 ASN A 36 1.448 -8.436 4.336 1.00 64.13 N ATOM 0 H ASN A 36 -2.787 -8.615 2.023 1.00 70.34 H new ATOM 0 HA ASN A 36 -0.782 -10.624 1.710 1.00 14.20 H new ATOM 0 HB2 ASN A 36 -0.517 -8.127 2.220 1.00 45.44 H new ATOM 0 HB3 ASN A 36 -1.052 -8.464 3.854 1.00 45.44 H new ATOM 0 HD21 ASN A 36 2.413 -8.586 4.630 1.00 64.13 H new ATOM 0 HD22 ASN A 36 0.896 -7.690 4.759 1.00 64.13 H new ATOM 576 N LYS A 37 -2.775 -10.891 4.314 1.00 74.02 N ATOM 577 CA LYS A 37 -3.322 -11.790 5.352 1.00 62.20 C ATOM 578 C LYS A 37 -3.785 -13.134 4.730 1.00 13.25 C ATOM 579 O LYS A 37 -3.591 -14.198 5.324 1.00 42.11 O ATOM 580 CB LYS A 37 -4.471 -11.034 6.111 1.00 51.21 C ATOM 581 CG LYS A 37 -5.430 -11.874 7.007 1.00 63.35 C ATOM 582 CD LYS A 37 -6.698 -12.385 6.260 1.00 52.23 C ATOM 583 CE LYS A 37 -7.731 -13.036 7.193 1.00 2.11 C ATOM 584 NZ LYS A 37 -8.272 -12.062 8.178 1.00 34.30 N ATOM 0 H LYS A 37 -3.344 -10.057 4.172 1.00 74.02 H new ATOM 0 HA LYS A 37 -2.551 -12.051 6.077 1.00 62.20 H new ATOM 0 HB2 LYS A 37 -4.011 -10.270 6.738 1.00 51.21 H new ATOM 0 HB3 LYS A 37 -5.077 -10.515 5.368 1.00 51.21 H new ATOM 0 HG2 LYS A 37 -4.884 -12.729 7.405 1.00 63.35 H new ATOM 0 HG3 LYS A 37 -5.740 -11.269 7.859 1.00 63.35 H new ATOM 0 HD2 LYS A 37 -7.165 -11.550 5.738 1.00 52.23 H new ATOM 0 HD3 LYS A 37 -6.398 -13.107 5.501 1.00 52.23 H new ATOM 0 HE2 LYS A 37 -8.549 -13.447 6.601 1.00 2.11 H new ATOM 0 HE3 LYS A 37 -7.270 -13.870 7.722 1.00 2.11 H new ATOM 0 HZ1 LYS A 37 -9.141 -12.444 8.603 1.00 34.30 H new ATOM 0 HZ2 LYS A 37 -7.567 -11.894 8.924 1.00 34.30 H new ATOM 0 HZ3 LYS A 37 -8.487 -11.165 7.697 1.00 34.30 H new ATOM 598 N MET A 38 -4.386 -13.069 3.525 1.00 42.44 N ATOM 599 CA MET A 38 -4.862 -14.267 2.781 1.00 32.50 C ATOM 600 C MET A 38 -3.740 -14.885 1.918 1.00 33.21 C ATOM 601 O MET A 38 -3.978 -15.870 1.209 1.00 74.41 O ATOM 602 CB MET A 38 -6.093 -13.900 1.897 1.00 13.22 C ATOM 603 CG MET A 38 -7.348 -13.515 2.696 1.00 65.22 C ATOM 604 SD MET A 38 -8.761 -13.079 1.651 1.00 71.22 S ATOM 605 CE MET A 38 -8.151 -11.669 0.731 1.00 42.14 C ATOM 0 H MET A 38 -4.558 -12.190 3.036 1.00 42.44 H new ATOM 0 HA MET A 38 -5.163 -15.016 3.513 1.00 32.50 H new ATOM 0 HB2 MET A 38 -5.823 -13.070 1.244 1.00 13.22 H new ATOM 0 HB3 MET A 38 -6.331 -14.748 1.254 1.00 13.22 H new ATOM 0 HG2 MET A 38 -7.627 -14.347 3.343 1.00 65.22 H new ATOM 0 HG3 MET A 38 -7.112 -12.672 3.345 1.00 65.22 H new ATOM 0 HE1 MET A 38 -8.845 -11.433 -0.076 1.00 42.14 H new ATOM 0 HE2 MET A 38 -8.063 -10.811 1.397 1.00 42.14 H new ATOM 0 HE3 MET A 38 -7.173 -11.904 0.311 1.00 42.14 H new ATOM 615 N GLY A 39 -2.529 -14.297 1.977 1.00 2.51 N ATOM 616 CA GLY A 39 -1.373 -14.778 1.211 1.00 72.15 C ATOM 617 C GLY A 39 -1.324 -14.255 -0.221 1.00 30.32 C ATOM 618 O GLY A 39 -0.415 -14.606 -0.980 1.00 74.13 O ATOM 0 H GLY A 39 -2.330 -13.480 2.555 1.00 2.51 H new ATOM 0 HA2 GLY A 39 -0.459 -14.484 1.727 1.00 72.15 H new ATOM 0 HA3 GLY A 39 -1.391 -15.868 1.190 1.00 72.15 H new ATOM 622 N LYS A 40 -2.319 -13.432 -0.589 1.00 62.54 N ATOM 623 CA LYS A 40 -2.422 -12.764 -1.903 1.00 14.44 C ATOM 624 C LYS A 40 -1.553 -11.484 -1.904 1.00 21.33 C ATOM 625 O LYS A 40 -2.024 -10.380 -2.209 1.00 73.32 O ATOM 626 CB LYS A 40 -3.918 -12.440 -2.190 1.00 43.04 C ATOM 627 CG LYS A 40 -4.859 -13.656 -2.058 1.00 4.13 C ATOM 628 CD LYS A 40 -6.349 -13.282 -2.220 1.00 42.13 C ATOM 629 CE LYS A 40 -7.294 -14.486 -2.022 1.00 64.42 C ATOM 630 NZ LYS A 40 -7.091 -15.543 -3.053 1.00 51.11 N ATOM 0 H LYS A 40 -3.095 -13.205 0.032 1.00 62.54 H new ATOM 0 HA LYS A 40 -2.053 -13.418 -2.693 1.00 14.44 H new ATOM 0 HB2 LYS A 40 -4.249 -11.661 -1.503 1.00 43.04 H new ATOM 0 HB3 LYS A 40 -4.005 -12.034 -3.198 1.00 43.04 H new ATOM 0 HG2 LYS A 40 -4.592 -14.399 -2.809 1.00 4.13 H new ATOM 0 HG3 LYS A 40 -4.710 -14.121 -1.083 1.00 4.13 H new ATOM 0 HD2 LYS A 40 -6.604 -12.504 -1.500 1.00 42.13 H new ATOM 0 HD3 LYS A 40 -6.507 -12.862 -3.213 1.00 42.13 H new ATOM 0 HE2 LYS A 40 -7.132 -14.912 -1.032 1.00 64.42 H new ATOM 0 HE3 LYS A 40 -8.328 -14.142 -2.056 1.00 64.42 H new ATOM 0 HZ1 LYS A 40 -7.782 -16.307 -2.908 1.00 51.11 H new ATOM 0 HZ2 LYS A 40 -7.221 -15.134 -4.000 1.00 51.11 H new ATOM 0 HZ3 LYS A 40 -6.128 -15.928 -2.971 1.00 51.11 H new ATOM 644 N ALA A 41 -0.263 -11.676 -1.582 1.00 3.35 N ATOM 645 CA ALA A 41 0.706 -10.598 -1.349 1.00 51.32 C ATOM 646 C ALA A 41 1.040 -9.839 -2.642 1.00 20.43 C ATOM 647 O ALA A 41 1.407 -8.661 -2.595 1.00 20.23 O ATOM 648 CB ALA A 41 1.960 -11.189 -0.703 1.00 54.34 C ATOM 0 H ALA A 41 0.142 -12.606 -1.475 1.00 3.35 H new ATOM 0 HA ALA A 41 0.265 -9.865 -0.673 1.00 51.32 H new ATOM 0 HB1 ALA A 41 2.686 -10.396 -0.526 1.00 54.34 H new ATOM 0 HB2 ALA A 41 1.695 -11.657 0.245 1.00 54.34 H new ATOM 0 HB3 ALA A 41 2.394 -11.936 -1.367 1.00 54.34 H new ATOM 654 N ARG A 42 0.916 -10.548 -3.789 1.00 53.20 N ATOM 655 CA ARG A 42 1.038 -9.977 -5.143 1.00 52.15 C ATOM 656 C ARG A 42 0.085 -8.775 -5.319 1.00 65.21 C ATOM 657 O ARG A 42 0.513 -7.690 -5.732 1.00 12.14 O ATOM 658 CB ARG A 42 0.770 -11.103 -6.201 1.00 34.32 C ATOM 659 CG ARG A 42 0.392 -10.645 -7.635 1.00 40.32 C ATOM 660 CD ARG A 42 1.454 -9.756 -8.339 1.00 41.51 C ATOM 661 NE ARG A 42 0.860 -8.501 -8.844 1.00 50.13 N ATOM 662 CZ ARG A 42 1.297 -7.794 -9.900 1.00 53.32 C ATOM 663 NH1 ARG A 42 2.345 -8.202 -10.615 1.00 11.22 N ATOM 664 NH2 ARG A 42 0.664 -6.687 -10.249 1.00 35.41 N ATOM 0 H ARG A 42 0.725 -11.550 -3.795 1.00 53.20 H new ATOM 0 HA ARG A 42 2.049 -9.598 -5.293 1.00 52.15 H new ATOM 0 HB2 ARG A 42 1.663 -11.725 -6.268 1.00 34.32 H new ATOM 0 HB3 ARG A 42 -0.033 -11.737 -5.825 1.00 34.32 H new ATOM 0 HG2 ARG A 42 0.215 -11.529 -8.248 1.00 40.32 H new ATOM 0 HG3 ARG A 42 -0.548 -10.095 -7.589 1.00 40.32 H new ATOM 0 HD2 ARG A 42 2.257 -9.524 -7.640 1.00 41.51 H new ATOM 0 HD3 ARG A 42 1.901 -10.307 -9.166 1.00 41.51 H new ATOM 0 HE ARG A 42 0.046 -8.139 -8.347 1.00 50.13 H new ATOM 0 HH11 ARG A 42 2.829 -9.064 -10.364 1.00 11.22 H new ATOM 0 HH12 ARG A 42 2.663 -7.652 -11.413 1.00 11.22 H new ATOM 0 HH21 ARG A 42 -0.149 -6.376 -9.718 1.00 35.41 H new ATOM 0 HH22 ARG A 42 0.989 -6.144 -11.049 1.00 35.41 H new ATOM 678 N GLU A 43 -1.198 -8.980 -4.989 1.00 44.42 N ATOM 679 CA GLU A 43 -2.221 -7.929 -5.106 1.00 53.25 C ATOM 680 C GLU A 43 -2.169 -6.958 -3.922 1.00 62.22 C ATOM 681 O GLU A 43 -2.497 -5.781 -4.085 1.00 5.15 O ATOM 682 CB GLU A 43 -3.627 -8.553 -5.258 1.00 52.14 C ATOM 683 CG GLU A 43 -3.799 -9.377 -6.551 1.00 1.14 C ATOM 684 CD GLU A 43 -3.439 -8.581 -7.828 1.00 40.54 C ATOM 685 OE1 GLU A 43 -4.244 -7.730 -8.262 1.00 74.12 O ATOM 686 OE2 GLU A 43 -2.337 -8.788 -8.397 1.00 24.22 O ATOM 0 H GLU A 43 -1.554 -9.869 -4.637 1.00 44.42 H new ATOM 0 HA GLU A 43 -2.006 -7.352 -6.005 1.00 53.25 H new ATOM 0 HB2 GLU A 43 -3.826 -9.194 -4.399 1.00 52.14 H new ATOM 0 HB3 GLU A 43 -4.372 -7.758 -5.242 1.00 52.14 H new ATOM 0 HG2 GLU A 43 -3.171 -10.266 -6.495 1.00 1.14 H new ATOM 0 HG3 GLU A 43 -4.831 -9.720 -6.622 1.00 1.14 H new ATOM 693 N ALA A 44 -1.727 -7.467 -2.748 1.00 52.11 N ATOM 694 CA ALA A 44 -1.588 -6.671 -1.514 1.00 44.11 C ATOM 695 C ALA A 44 -0.668 -5.479 -1.737 1.00 4.41 C ATOM 696 O ALA A 44 -1.060 -4.338 -1.493 1.00 42.10 O ATOM 697 CB ALA A 44 -1.039 -7.540 -0.375 1.00 52.32 C ATOM 0 H ALA A 44 -1.457 -8.444 -2.634 1.00 52.11 H new ATOM 0 HA ALA A 44 -2.577 -6.303 -1.240 1.00 44.11 H new ATOM 0 HB1 ALA A 44 -0.942 -6.938 0.528 1.00 52.32 H new ATOM 0 HB2 ALA A 44 -1.722 -8.368 -0.187 1.00 52.32 H new ATOM 0 HB3 ALA A 44 -0.062 -7.933 -0.655 1.00 52.32 H new ATOM 703 N ALA A 45 0.543 -5.783 -2.244 1.00 50.34 N ATOM 704 CA ALA A 45 1.588 -4.796 -2.529 1.00 24.44 C ATOM 705 C ALA A 45 1.103 -3.747 -3.546 1.00 72.20 C ATOM 706 O ALA A 45 1.470 -2.572 -3.457 1.00 23.10 O ATOM 707 CB ALA A 45 2.847 -5.517 -3.042 1.00 10.13 C ATOM 0 H ALA A 45 0.821 -6.738 -2.468 1.00 50.34 H new ATOM 0 HA ALA A 45 1.830 -4.265 -1.608 1.00 24.44 H new ATOM 0 HB1 ALA A 45 3.625 -4.784 -3.254 1.00 10.13 H new ATOM 0 HB2 ALA A 45 3.202 -6.214 -2.283 1.00 10.13 H new ATOM 0 HB3 ALA A 45 2.607 -6.065 -3.953 1.00 10.13 H new ATOM 713 N GLU A 46 0.273 -4.205 -4.501 1.00 25.31 N ATOM 714 CA GLU A 46 -0.297 -3.368 -5.569 1.00 41.11 C ATOM 715 C GLU A 46 -1.302 -2.355 -4.963 1.00 30.11 C ATOM 716 O GLU A 46 -1.314 -1.178 -5.342 1.00 32.10 O ATOM 717 CB GLU A 46 -0.960 -4.301 -6.641 1.00 4.04 C ATOM 718 CG GLU A 46 -1.024 -3.741 -8.084 1.00 12.25 C ATOM 719 CD GLU A 46 -1.916 -2.501 -8.255 1.00 24.10 C ATOM 720 OE1 GLU A 46 -3.151 -2.623 -8.105 1.00 51.12 O ATOM 721 OE2 GLU A 46 -1.390 -1.404 -8.523 1.00 1.33 O ATOM 0 H GLU A 46 -0.024 -5.180 -4.552 1.00 25.31 H new ATOM 0 HA GLU A 46 0.482 -2.787 -6.062 1.00 41.11 H new ATOM 0 HB2 GLU A 46 -0.412 -5.243 -6.662 1.00 4.04 H new ATOM 0 HB3 GLU A 46 -1.975 -4.530 -6.316 1.00 4.04 H new ATOM 0 HG2 GLU A 46 -0.013 -3.492 -8.407 1.00 12.25 H new ATOM 0 HG3 GLU A 46 -1.386 -4.526 -8.748 1.00 12.25 H new ATOM 728 N TYR A 47 -2.111 -2.834 -3.995 1.00 72.44 N ATOM 729 CA TYR A 47 -3.062 -1.995 -3.243 1.00 21.31 C ATOM 730 C TYR A 47 -2.323 -0.978 -2.353 1.00 61.44 C ATOM 731 O TYR A 47 -2.790 0.150 -2.192 1.00 44.22 O ATOM 732 CB TYR A 47 -4.005 -2.867 -2.365 1.00 63.21 C ATOM 733 CG TYR A 47 -5.120 -3.581 -3.131 1.00 54.00 C ATOM 734 CD1 TYR A 47 -6.092 -2.848 -3.798 1.00 73.11 C ATOM 735 CD2 TYR A 47 -5.213 -4.970 -3.171 1.00 5.14 C ATOM 736 CE1 TYR A 47 -7.117 -3.467 -4.477 1.00 31.22 C ATOM 737 CE2 TYR A 47 -6.227 -5.595 -3.854 1.00 55.24 C ATOM 738 CZ TYR A 47 -7.179 -4.842 -4.507 1.00 2.54 C ATOM 739 OH TYR A 47 -8.202 -5.470 -5.178 1.00 24.23 O ATOM 0 H TYR A 47 -2.122 -3.814 -3.714 1.00 72.44 H new ATOM 0 HA TYR A 47 -3.662 -1.452 -3.974 1.00 21.31 H new ATOM 0 HB2 TYR A 47 -3.405 -3.614 -1.845 1.00 63.21 H new ATOM 0 HB3 TYR A 47 -4.457 -2.233 -1.602 1.00 63.21 H new ATOM 0 HD1 TYR A 47 -6.043 -1.769 -3.784 1.00 73.11 H new ATOM 0 HD2 TYR A 47 -4.474 -5.566 -2.656 1.00 5.14 H new ATOM 0 HE1 TYR A 47 -7.868 -2.878 -4.983 1.00 31.22 H new ATOM 0 HE2 TYR A 47 -6.278 -6.673 -3.879 1.00 55.24 H new ATOM 0 HH TYR A 47 -8.096 -6.441 -5.101 1.00 24.23 H new ATOM 749 N PHE A 48 -1.174 -1.404 -1.775 1.00 31.14 N ATOM 750 CA PHE A 48 -0.327 -0.541 -0.923 1.00 43.33 C ATOM 751 C PHE A 48 0.339 0.556 -1.763 1.00 1.35 C ATOM 752 O PHE A 48 0.569 1.660 -1.271 1.00 51.21 O ATOM 753 CB PHE A 48 0.769 -1.367 -0.185 1.00 24.11 C ATOM 754 CG PHE A 48 0.248 -2.429 0.776 1.00 72.30 C ATOM 755 CD1 PHE A 48 -0.857 -2.181 1.579 1.00 43.11 C ATOM 756 CD2 PHE A 48 0.884 -3.667 0.899 1.00 25.12 C ATOM 757 CE1 PHE A 48 -1.315 -3.125 2.463 1.00 31.12 C ATOM 758 CE2 PHE A 48 0.417 -4.618 1.783 1.00 53.53 C ATOM 759 CZ PHE A 48 -0.680 -4.347 2.566 1.00 35.33 C ATOM 0 H PHE A 48 -0.812 -2.351 -1.887 1.00 31.14 H new ATOM 0 HA PHE A 48 -0.976 -0.083 -0.176 1.00 43.33 H new ATOM 0 HB2 PHE A 48 1.398 -1.853 -0.931 1.00 24.11 H new ATOM 0 HB3 PHE A 48 1.406 -0.679 0.371 1.00 24.11 H new ATOM 0 HD1 PHE A 48 -1.364 -1.230 1.507 1.00 43.11 H new ATOM 0 HD2 PHE A 48 1.752 -3.882 0.294 1.00 25.12 H new ATOM 0 HE1 PHE A 48 -2.175 -2.912 3.080 1.00 31.12 H new ATOM 0 HE2 PHE A 48 0.913 -5.574 1.860 1.00 53.53 H new ATOM 0 HZ PHE A 48 -1.045 -5.089 3.261 1.00 35.33 H new ATOM 769 N PHE A 49 0.643 0.225 -3.031 1.00 14.20 N ATOM 770 CA PHE A 49 1.256 1.160 -3.982 1.00 44.14 C ATOM 771 C PHE A 49 0.270 2.267 -4.362 1.00 64.02 C ATOM 772 O PHE A 49 0.600 3.450 -4.283 1.00 34.21 O ATOM 773 CB PHE A 49 1.736 0.410 -5.254 1.00 54.44 C ATOM 774 CG PHE A 49 2.394 1.313 -6.303 1.00 74.42 C ATOM 775 CD1 PHE A 49 3.417 2.189 -5.938 1.00 12.21 C ATOM 776 CD2 PHE A 49 2.000 1.291 -7.644 1.00 64.51 C ATOM 777 CE1 PHE A 49 4.015 3.003 -6.866 1.00 33.34 C ATOM 778 CE2 PHE A 49 2.611 2.115 -8.577 1.00 41.32 C ATOM 779 CZ PHE A 49 3.622 2.972 -8.183 1.00 23.30 C ATOM 0 H PHE A 49 0.469 -0.701 -3.422 1.00 14.20 H new ATOM 0 HA PHE A 49 2.121 1.616 -3.500 1.00 44.14 H new ATOM 0 HB2 PHE A 49 2.445 -0.364 -4.960 1.00 54.44 H new ATOM 0 HB3 PHE A 49 0.883 -0.095 -5.708 1.00 54.44 H new ATOM 0 HD1 PHE A 49 3.743 2.227 -4.909 1.00 12.21 H new ATOM 0 HD2 PHE A 49 1.210 0.624 -7.957 1.00 64.51 H new ATOM 0 HE1 PHE A 49 4.803 3.675 -6.559 1.00 33.34 H new ATOM 0 HE2 PHE A 49 2.298 2.087 -9.610 1.00 41.32 H new ATOM 0 HZ PHE A 49 4.101 3.614 -8.907 1.00 23.30 H new ATOM 789 N ARG A 50 -0.938 1.851 -4.774 1.00 41.53 N ATOM 790 CA ARG A 50 -1.998 2.774 -5.189 1.00 44.23 C ATOM 791 C ARG A 50 -2.505 3.619 -4.003 1.00 34.44 C ATOM 792 O ARG A 50 -2.879 4.784 -4.183 1.00 64.12 O ATOM 793 CB ARG A 50 -3.156 2.002 -5.842 1.00 3.01 C ATOM 794 CG ARG A 50 -2.815 1.329 -7.181 1.00 44.32 C ATOM 795 CD ARG A 50 -4.071 0.829 -7.907 1.00 30.51 C ATOM 796 NE ARG A 50 -4.994 1.946 -8.212 1.00 23.22 N ATOM 797 CZ ARG A 50 -5.935 1.951 -9.169 1.00 72.50 C ATOM 798 NH1 ARG A 50 -6.130 0.895 -9.953 1.00 55.11 N ATOM 799 NH2 ARG A 50 -6.696 3.019 -9.320 1.00 75.35 N ATOM 0 H ARG A 50 -1.204 0.868 -4.828 1.00 41.53 H new ATOM 0 HA ARG A 50 -1.577 3.459 -5.925 1.00 44.23 H new ATOM 0 HB2 ARG A 50 -3.501 1.238 -5.146 1.00 3.01 H new ATOM 0 HB3 ARG A 50 -3.988 2.689 -5.999 1.00 3.01 H new ATOM 0 HG2 ARG A 50 -2.285 2.037 -7.818 1.00 44.32 H new ATOM 0 HG3 ARG A 50 -2.140 0.491 -7.005 1.00 44.32 H new ATOM 0 HD2 ARG A 50 -3.784 0.328 -8.832 1.00 30.51 H new ATOM 0 HD3 ARG A 50 -4.582 0.090 -7.289 1.00 30.51 H new ATOM 0 HE ARG A 50 -4.907 2.788 -7.643 1.00 23.22 H new ATOM 0 HH11 ARG A 50 -5.559 0.059 -9.833 1.00 55.11 H new ATOM 0 HH12 ARG A 50 -6.851 0.921 -10.674 1.00 55.11 H new ATOM 0 HH21 ARG A 50 -6.565 3.828 -8.713 1.00 75.35 H new ATOM 0 HH22 ARG A 50 -7.415 3.035 -10.044 1.00 75.35 H new ATOM 813 N ALA A 51 -2.496 3.013 -2.797 1.00 72.11 N ATOM 814 CA ALA A 51 -2.796 3.718 -1.545 1.00 50.32 C ATOM 815 C ALA A 51 -1.755 4.821 -1.322 1.00 53.33 C ATOM 816 O ALA A 51 -2.117 5.978 -1.094 1.00 21.25 O ATOM 817 CB ALA A 51 -2.817 2.741 -0.358 1.00 14.52 C ATOM 0 H ALA A 51 -2.281 2.024 -2.670 1.00 72.11 H new ATOM 0 HA ALA A 51 -3.786 4.169 -1.618 1.00 50.32 H new ATOM 0 HB1 ALA A 51 -3.041 3.287 0.558 1.00 14.52 H new ATOM 0 HB2 ALA A 51 -3.581 1.982 -0.525 1.00 14.52 H new ATOM 0 HB3 ALA A 51 -1.843 2.261 -0.265 1.00 14.52 H new ATOM 823 N ALA A 52 -0.462 4.438 -1.475 1.00 31.01 N ATOM 824 CA ALA A 52 0.688 5.339 -1.298 1.00 25.41 C ATOM 825 C ALA A 52 0.633 6.524 -2.279 1.00 53.03 C ATOM 826 O ALA A 52 1.043 7.626 -1.924 1.00 52.44 O ATOM 827 CB ALA A 52 2.012 4.567 -1.463 1.00 4.41 C ATOM 0 H ALA A 52 -0.194 3.486 -1.727 1.00 31.01 H new ATOM 0 HA ALA A 52 0.639 5.741 -0.286 1.00 25.41 H new ATOM 0 HB1 ALA A 52 2.851 5.250 -1.329 1.00 4.41 H new ATOM 0 HB2 ALA A 52 2.066 3.774 -0.717 1.00 4.41 H new ATOM 0 HB3 ALA A 52 2.056 4.130 -2.461 1.00 4.41 H new ATOM 833 N ILE A 53 0.115 6.266 -3.508 1.00 41.31 N ATOM 834 CA ILE A 53 -0.124 7.311 -4.527 1.00 41.43 C ATOM 835 C ILE A 53 -1.065 8.397 -3.963 1.00 63.33 C ATOM 836 O ILE A 53 -0.716 9.574 -3.968 1.00 44.14 O ATOM 837 CB ILE A 53 -0.724 6.704 -5.869 1.00 43.22 C ATOM 838 CG1 ILE A 53 0.329 5.797 -6.589 1.00 3.44 C ATOM 839 CG2 ILE A 53 -1.249 7.811 -6.827 1.00 1.21 C ATOM 840 CD1 ILE A 53 -0.176 5.062 -7.826 1.00 35.50 C ATOM 0 H ILE A 53 -0.147 5.329 -3.816 1.00 41.31 H new ATOM 0 HA ILE A 53 0.839 7.760 -4.773 1.00 41.43 H new ATOM 0 HB ILE A 53 -1.579 6.087 -5.590 1.00 43.22 H new ATOM 0 HG12 ILE A 53 1.179 6.415 -6.877 1.00 3.44 H new ATOM 0 HG13 ILE A 53 0.697 5.060 -5.875 1.00 3.44 H new ATOM 0 HG21 ILE A 53 -1.650 7.351 -7.730 1.00 1.21 H new ATOM 0 HG22 ILE A 53 -2.035 8.379 -6.330 1.00 1.21 H new ATOM 0 HG23 ILE A 53 -0.431 8.480 -7.093 1.00 1.21 H new ATOM 0 HD11 ILE A 53 0.631 4.463 -8.248 1.00 35.50 H new ATOM 0 HD12 ILE A 53 -1.005 4.411 -7.549 1.00 35.50 H new ATOM 0 HD13 ILE A 53 -0.515 5.786 -8.566 1.00 35.50 H new ATOM 852 N VAL A 54 -2.230 7.967 -3.434 1.00 55.45 N ATOM 853 CA VAL A 54 -3.272 8.885 -2.919 1.00 35.02 C ATOM 854 C VAL A 54 -2.749 9.680 -1.706 1.00 23.24 C ATOM 855 O VAL A 54 -2.921 10.892 -1.646 1.00 20.23 O ATOM 856 CB VAL A 54 -4.593 8.115 -2.538 1.00 53.04 C ATOM 857 CG1 VAL A 54 -5.724 9.096 -2.107 1.00 62.03 C ATOM 858 CG2 VAL A 54 -5.046 7.216 -3.712 1.00 4.31 C ATOM 0 H VAL A 54 -2.475 6.980 -3.351 1.00 55.45 H new ATOM 0 HA VAL A 54 -3.513 9.583 -3.721 1.00 35.02 H new ATOM 0 HB VAL A 54 -4.379 7.478 -1.679 1.00 53.04 H new ATOM 0 HG11 VAL A 54 -6.619 8.529 -1.852 1.00 62.03 H new ATOM 0 HG12 VAL A 54 -5.397 9.669 -1.239 1.00 62.03 H new ATOM 0 HG13 VAL A 54 -5.948 9.777 -2.928 1.00 62.03 H new ATOM 0 HG21 VAL A 54 -5.960 6.690 -3.436 1.00 4.31 H new ATOM 0 HG22 VAL A 54 -5.234 7.833 -4.591 1.00 4.31 H new ATOM 0 HG23 VAL A 54 -4.264 6.491 -3.938 1.00 4.31 H new ATOM 868 N PHE A 55 -2.064 8.979 -0.778 1.00 72.22 N ATOM 869 CA PHE A 55 -1.472 9.597 0.430 1.00 61.44 C ATOM 870 C PHE A 55 -0.346 10.588 0.068 1.00 13.34 C ATOM 871 O PHE A 55 -0.128 11.556 0.785 1.00 31.43 O ATOM 872 CB PHE A 55 -0.935 8.522 1.412 1.00 71.23 C ATOM 873 CG PHE A 55 -2.008 7.654 2.075 1.00 4.13 C ATOM 874 CD1 PHE A 55 -3.007 8.231 2.863 1.00 72.30 C ATOM 875 CD2 PHE A 55 -2.002 6.266 1.934 1.00 13.54 C ATOM 876 CE1 PHE A 55 -3.957 7.442 3.490 1.00 21.42 C ATOM 877 CE2 PHE A 55 -2.952 5.484 2.554 1.00 30.23 C ATOM 878 CZ PHE A 55 -3.930 6.072 3.332 1.00 52.11 C ATOM 0 H PHE A 55 -1.906 7.973 -0.843 1.00 72.22 H new ATOM 0 HA PHE A 55 -2.271 10.150 0.924 1.00 61.44 H new ATOM 0 HB2 PHE A 55 -0.246 7.872 0.873 1.00 71.23 H new ATOM 0 HB3 PHE A 55 -0.359 9.020 2.192 1.00 71.23 H new ATOM 0 HD1 PHE A 55 -3.039 9.304 2.985 1.00 72.30 H new ATOM 0 HD2 PHE A 55 -1.240 5.797 1.329 1.00 13.54 H new ATOM 0 HE1 PHE A 55 -4.719 7.900 4.103 1.00 21.42 H new ATOM 0 HE2 PHE A 55 -2.932 4.411 2.432 1.00 30.23 H new ATOM 0 HZ PHE A 55 -4.675 5.458 3.817 1.00 52.11 H new ATOM 888 N TYR A 56 0.354 10.335 -1.052 1.00 14.02 N ATOM 889 CA TYR A 56 1.402 11.233 -1.569 1.00 15.35 C ATOM 890 C TYR A 56 0.767 12.513 -2.161 1.00 13.23 C ATOM 891 O TYR A 56 1.275 13.622 -1.951 1.00 1.13 O ATOM 892 CB TYR A 56 2.252 10.490 -2.627 1.00 74.41 C ATOM 893 CG TYR A 56 3.259 11.372 -3.378 1.00 14.35 C ATOM 894 CD1 TYR A 56 4.301 12.012 -2.697 1.00 42.45 C ATOM 895 CD2 TYR A 56 3.151 11.579 -4.751 1.00 45.24 C ATOM 896 CE1 TYR A 56 5.199 12.810 -3.364 1.00 12.22 C ATOM 897 CE2 TYR A 56 4.043 12.377 -5.418 1.00 51.30 C ATOM 898 CZ TYR A 56 5.067 12.995 -4.725 1.00 45.35 C ATOM 899 OH TYR A 56 5.961 13.802 -5.400 1.00 42.53 O ATOM 0 H TYR A 56 0.209 9.503 -1.624 1.00 14.02 H new ATOM 0 HA TYR A 56 2.056 11.533 -0.750 1.00 15.35 H new ATOM 0 HB2 TYR A 56 2.794 9.682 -2.135 1.00 74.41 H new ATOM 0 HB3 TYR A 56 1.582 10.029 -3.353 1.00 74.41 H new ATOM 0 HD1 TYR A 56 4.401 11.876 -1.630 1.00 42.45 H new ATOM 0 HD2 TYR A 56 2.351 11.103 -5.299 1.00 45.24 H new ATOM 0 HE1 TYR A 56 6.003 13.290 -2.826 1.00 12.22 H new ATOM 0 HE2 TYR A 56 3.946 12.523 -6.484 1.00 51.30 H new ATOM 0 HH TYR A 56 5.727 13.825 -6.351 1.00 42.53 H new ATOM 909 N LYS A 57 -0.336 12.324 -2.911 1.00 53.02 N ATOM 910 CA LYS A 57 -1.195 13.424 -3.414 1.00 74.23 C ATOM 911 C LYS A 57 -1.717 14.300 -2.262 1.00 71.34 C ATOM 912 O LYS A 57 -1.829 15.521 -2.401 1.00 63.03 O ATOM 913 CB LYS A 57 -2.390 12.862 -4.262 1.00 72.01 C ATOM 914 CG LYS A 57 -2.113 12.740 -5.778 1.00 43.22 C ATOM 915 CD LYS A 57 -0.935 11.797 -6.122 1.00 61.30 C ATOM 916 CE LYS A 57 -0.636 11.725 -7.628 1.00 12.22 C ATOM 917 NZ LYS A 57 -0.267 13.059 -8.184 1.00 61.51 N ATOM 0 H LYS A 57 -0.662 11.398 -3.189 1.00 53.02 H new ATOM 0 HA LYS A 57 -0.579 14.050 -4.060 1.00 74.23 H new ATOM 0 HB2 LYS A 57 -2.659 11.879 -3.876 1.00 72.01 H new ATOM 0 HB3 LYS A 57 -3.255 13.509 -4.117 1.00 72.01 H new ATOM 0 HG2 LYS A 57 -3.013 12.378 -6.275 1.00 43.22 H new ATOM 0 HG3 LYS A 57 -1.903 13.731 -6.181 1.00 43.22 H new ATOM 0 HD2 LYS A 57 -0.042 12.136 -5.597 1.00 61.30 H new ATOM 0 HD3 LYS A 57 -1.160 10.796 -5.755 1.00 61.30 H new ATOM 0 HE2 LYS A 57 0.177 11.020 -7.804 1.00 12.22 H new ATOM 0 HE3 LYS A 57 -1.510 11.341 -8.154 1.00 12.22 H new ATOM 0 HZ1 LYS A 57 0.074 12.946 -9.160 1.00 61.51 H new ATOM 0 HZ2 LYS A 57 -1.101 13.680 -8.178 1.00 61.51 H new ATOM 0 HZ3 LYS A 57 0.484 13.482 -7.602 1.00 61.51 H new ATOM 931 N GLU A 58 -2.029 13.656 -1.131 1.00 34.12 N ATOM 932 CA GLU A 58 -2.522 14.349 0.069 1.00 42.53 C ATOM 933 C GLU A 58 -1.365 14.867 0.941 1.00 53.30 C ATOM 934 O GLU A 58 -1.593 15.653 1.867 1.00 5.53 O ATOM 935 CB GLU A 58 -3.436 13.406 0.898 1.00 54.34 C ATOM 936 CG GLU A 58 -4.650 12.845 0.132 1.00 1.45 C ATOM 937 CD GLU A 58 -5.447 13.932 -0.607 1.00 71.01 C ATOM 938 OE1 GLU A 58 -6.177 14.692 0.057 1.00 4.22 O ATOM 939 OE2 GLU A 58 -5.347 14.038 -1.854 1.00 65.12 O ATOM 0 H GLU A 58 -1.948 12.645 -1.020 1.00 34.12 H new ATOM 0 HA GLU A 58 -3.101 15.211 -0.262 1.00 42.53 H new ATOM 0 HB2 GLU A 58 -2.837 12.572 1.263 1.00 54.34 H new ATOM 0 HB3 GLU A 58 -3.795 13.948 1.773 1.00 54.34 H new ATOM 0 HG2 GLU A 58 -4.307 12.101 -0.587 1.00 1.45 H new ATOM 0 HG3 GLU A 58 -5.309 12.331 0.832 1.00 1.45 H new ATOM 946 N HIS A 59 -0.128 14.408 0.626 1.00 71.20 N ATOM 947 CA HIS A 59 1.112 14.733 1.369 1.00 1.45 C ATOM 948 C HIS A 59 1.026 14.269 2.842 1.00 71.41 C ATOM 949 O HIS A 59 1.688 14.808 3.738 1.00 64.44 O ATOM 950 CB HIS A 59 1.464 16.240 1.220 1.00 12.44 C ATOM 951 CG HIS A 59 1.777 16.638 -0.198 1.00 11.42 C ATOM 952 ND1 HIS A 59 3.048 16.633 -0.712 1.00 42.22 N ATOM 953 CD2 HIS A 59 0.972 17.018 -1.212 1.00 41.40 C ATOM 954 CE1 HIS A 59 3.016 16.994 -1.974 1.00 23.14 C ATOM 955 NE2 HIS A 59 1.761 17.231 -2.303 1.00 54.15 N ATOM 0 H HIS A 59 0.037 13.789 -0.168 1.00 71.20 H new ATOM 0 HA HIS A 59 1.938 14.175 0.929 1.00 1.45 H new ATOM 0 HB2 HIS A 59 0.629 16.839 1.583 1.00 12.44 H new ATOM 0 HB3 HIS A 59 2.321 16.471 1.853 1.00 12.44 H new ATOM 0 HD1 HIS A 59 3.891 16.386 -0.193 1.00 42.22 H new ATOM 0 HD2 HIS A 59 -0.101 17.132 -1.167 1.00 41.40 H new ATOM 0 HE1 HIS A 59 3.870 17.082 -2.629 1.00 23.14 H new ATOM 964 N ASP A 60 0.225 13.213 3.029 1.00 30.42 N ATOM 965 CA ASP A 60 0.006 12.522 4.297 1.00 61.21 C ATOM 966 C ASP A 60 1.163 11.533 4.523 1.00 22.33 C ATOM 967 O ASP A 60 1.149 10.410 3.992 1.00 33.20 O ATOM 968 CB ASP A 60 -1.372 11.797 4.229 1.00 1.21 C ATOM 969 CG ASP A 60 -1.758 11.049 5.515 1.00 52.44 C ATOM 970 OD1 ASP A 60 -2.182 11.695 6.487 1.00 74.20 O ATOM 971 OD2 ASP A 60 -1.647 9.816 5.557 1.00 64.04 O ATOM 0 H ASP A 60 -0.310 12.802 2.264 1.00 30.42 H new ATOM 0 HA ASP A 60 -0.013 13.218 5.136 1.00 61.21 H new ATOM 0 HB2 ASP A 60 -2.145 12.532 4.004 1.00 1.21 H new ATOM 0 HB3 ASP A 60 -1.356 11.088 3.401 1.00 1.21 H new ATOM 976 N THR A 61 2.186 11.994 5.265 1.00 11.24 N ATOM 977 CA THR A 61 3.412 11.224 5.541 1.00 21.14 C ATOM 978 C THR A 61 3.134 9.956 6.372 1.00 51.14 C ATOM 979 O THR A 61 3.907 9.003 6.295 1.00 4.45 O ATOM 980 CB THR A 61 4.485 12.113 6.266 1.00 12.01 C ATOM 981 OG1 THR A 61 3.886 12.781 7.390 1.00 35.52 O ATOM 982 CG2 THR A 61 5.109 13.150 5.317 1.00 43.11 C ATOM 0 H THR A 61 2.185 12.920 5.694 1.00 11.24 H new ATOM 0 HA THR A 61 3.803 10.908 4.574 1.00 21.14 H new ATOM 0 HB THR A 61 5.283 11.454 6.608 1.00 12.01 H new ATOM 0 HG1 THR A 61 4.560 13.333 7.840 1.00 35.52 H new ATOM 0 HG21 THR A 61 5.845 13.743 5.859 1.00 43.11 H new ATOM 0 HG22 THR A 61 5.596 12.637 4.487 1.00 43.11 H new ATOM 0 HG23 THR A 61 4.329 13.806 4.931 1.00 43.11 H new ATOM 990 N ASP A 62 2.037 9.964 7.169 1.00 12.43 N ATOM 991 CA ASP A 62 1.609 8.786 7.956 1.00 0.11 C ATOM 992 C ASP A 62 1.317 7.591 7.038 1.00 33.13 C ATOM 993 O ASP A 62 1.969 6.549 7.132 1.00 41.10 O ATOM 994 CB ASP A 62 0.349 9.107 8.831 1.00 52.11 C ATOM 995 CG ASP A 62 0.684 9.833 10.142 1.00 34.33 C ATOM 996 OD1 ASP A 62 1.103 9.154 11.107 1.00 75.13 O ATOM 997 OD2 ASP A 62 0.543 11.074 10.221 1.00 34.31 O ATOM 0 H ASP A 62 1.432 10.778 7.282 1.00 12.43 H new ATOM 0 HA ASP A 62 2.431 8.527 8.623 1.00 0.11 H new ATOM 0 HB2 ASP A 62 -0.340 9.721 8.251 1.00 52.11 H new ATOM 0 HB3 ASP A 62 -0.170 8.177 9.062 1.00 52.11 H new ATOM 1002 N GLY A 63 0.367 7.799 6.124 1.00 51.43 N ATOM 1003 CA GLY A 63 -0.162 6.743 5.274 1.00 74.43 C ATOM 1004 C GLY A 63 0.778 6.342 4.158 1.00 45.02 C ATOM 1005 O GLY A 63 0.838 5.168 3.813 1.00 13.03 O ATOM 0 H GLY A 63 -0.056 8.712 5.956 1.00 51.43 H new ATOM 0 HA2 GLY A 63 -0.380 5.869 5.887 1.00 74.43 H new ATOM 0 HA3 GLY A 63 -1.107 7.073 4.842 1.00 74.43 H new ATOM 1009 N LEU A 64 1.490 7.336 3.584 1.00 40.33 N ATOM 1010 CA LEU A 64 2.475 7.110 2.507 1.00 75.01 C ATOM 1011 C LEU A 64 3.612 6.206 3.005 1.00 44.02 C ATOM 1012 O LEU A 64 3.962 5.218 2.350 1.00 22.02 O ATOM 1013 CB LEU A 64 3.046 8.470 2.009 1.00 53.21 C ATOM 1014 CG LEU A 64 4.249 8.401 1.000 1.00 3.42 C ATOM 1015 CD1 LEU A 64 3.860 7.720 -0.323 1.00 72.40 C ATOM 1016 CD2 LEU A 64 4.834 9.794 0.749 1.00 71.34 C ATOM 0 H LEU A 64 1.398 8.315 3.854 1.00 40.33 H new ATOM 0 HA LEU A 64 1.976 6.613 1.675 1.00 75.01 H new ATOM 0 HB2 LEU A 64 2.237 9.027 1.537 1.00 53.21 H new ATOM 0 HB3 LEU A 64 3.363 9.045 2.879 1.00 53.21 H new ATOM 0 HG LEU A 64 5.019 7.783 1.462 1.00 3.42 H new ATOM 0 HD11 LEU A 64 4.724 7.696 -0.988 1.00 72.40 H new ATOM 0 HD12 LEU A 64 3.527 6.701 -0.124 1.00 72.40 H new ATOM 0 HD13 LEU A 64 3.053 8.279 -0.797 1.00 72.40 H new ATOM 0 HD21 LEU A 64 5.665 9.719 0.048 1.00 71.34 H new ATOM 0 HD22 LEU A 64 4.064 10.442 0.331 1.00 71.34 H new ATOM 0 HD23 LEU A 64 5.190 10.214 1.690 1.00 71.34 H new ATOM 1028 N ARG A 65 4.162 6.570 4.186 1.00 10.25 N ATOM 1029 CA ARG A 65 5.254 5.831 4.832 1.00 3.55 C ATOM 1030 C ARG A 65 4.791 4.424 5.198 1.00 43.22 C ATOM 1031 O ARG A 65 5.475 3.455 4.909 1.00 1.32 O ATOM 1032 CB ARG A 65 5.735 6.573 6.104 1.00 32.23 C ATOM 1033 CG ARG A 65 6.996 5.975 6.765 1.00 14.13 C ATOM 1034 CD ARG A 65 7.529 6.851 7.909 1.00 52.31 C ATOM 1035 NE ARG A 65 8.846 6.403 8.384 1.00 43.33 N ATOM 1036 CZ ARG A 65 9.807 7.214 8.863 1.00 32.44 C ATOM 1037 NH1 ARG A 65 9.622 8.532 8.940 1.00 51.25 N ATOM 1038 NH2 ARG A 65 10.951 6.704 9.267 1.00 54.42 N ATOM 0 H ARG A 65 3.855 7.387 4.713 1.00 10.25 H new ATOM 0 HA ARG A 65 6.086 5.763 4.131 1.00 3.55 H new ATOM 0 HB2 ARG A 65 5.935 7.613 5.847 1.00 32.23 H new ATOM 0 HB3 ARG A 65 4.926 6.575 6.834 1.00 32.23 H new ATOM 0 HG2 ARG A 65 6.765 4.981 7.149 1.00 14.13 H new ATOM 0 HG3 ARG A 65 7.774 5.853 6.012 1.00 14.13 H new ATOM 0 HD2 ARG A 65 7.599 7.885 7.570 1.00 52.31 H new ATOM 0 HD3 ARG A 65 6.821 6.834 8.737 1.00 52.31 H new ATOM 0 HE ARG A 65 9.046 5.403 8.348 1.00 43.33 H new ATOM 0 HH11 ARG A 65 8.740 8.942 8.633 1.00 51.25 H new ATOM 0 HH12 ARG A 65 10.362 9.130 9.306 1.00 51.25 H new ATOM 0 HH21 ARG A 65 11.107 5.697 9.216 1.00 54.42 H new ATOM 0 HH22 ARG A 65 11.682 7.316 9.631 1.00 54.42 H new ATOM 1052 N ARG A 66 3.593 4.349 5.802 1.00 65.23 N ATOM 1053 CA ARG A 66 3.003 3.098 6.297 1.00 24.01 C ATOM 1054 C ARG A 66 2.686 2.137 5.132 1.00 62.51 C ATOM 1055 O ARG A 66 2.818 0.917 5.267 1.00 63.33 O ATOM 1056 CB ARG A 66 1.723 3.413 7.109 1.00 15.25 C ATOM 1057 CG ARG A 66 1.191 2.242 7.951 1.00 52.10 C ATOM 1058 CD ARG A 66 -0.138 2.558 8.639 1.00 43.32 C ATOM 1059 NE ARG A 66 -0.063 3.763 9.488 1.00 74.31 N ATOM 1060 CZ ARG A 66 -1.062 4.218 10.260 1.00 51.54 C ATOM 1061 NH1 ARG A 66 -2.228 3.576 10.320 1.00 52.50 N ATOM 1062 NH2 ARG A 66 -0.888 5.313 10.974 1.00 4.22 N ATOM 0 H ARG A 66 3.002 5.165 5.961 1.00 65.23 H new ATOM 0 HA ARG A 66 3.725 2.603 6.947 1.00 24.01 H new ATOM 0 HB2 ARG A 66 1.927 4.255 7.771 1.00 15.25 H new ATOM 0 HB3 ARG A 66 0.941 3.731 6.420 1.00 15.25 H new ATOM 0 HG2 ARG A 66 1.064 1.369 7.311 1.00 52.10 H new ATOM 0 HG3 ARG A 66 1.931 1.978 8.706 1.00 52.10 H new ATOM 0 HD2 ARG A 66 -0.911 2.698 7.883 1.00 43.32 H new ATOM 0 HD3 ARG A 66 -0.439 1.706 9.249 1.00 43.32 H new ATOM 0 HE ARG A 66 0.812 4.288 9.488 1.00 74.31 H new ATOM 0 HH11 ARG A 66 -2.371 2.726 9.774 1.00 52.50 H new ATOM 0 HH12 ARG A 66 -2.978 3.934 10.912 1.00 52.50 H new ATOM 0 HH21 ARG A 66 0.002 5.809 10.938 1.00 4.22 H new ATOM 0 HH22 ARG A 66 -1.644 5.664 11.563 1.00 4.22 H new ATOM 1076 N ALA A 67 2.293 2.714 3.983 1.00 64.51 N ATOM 1077 CA ALA A 67 1.989 1.955 2.765 1.00 32.43 C ATOM 1078 C ALA A 67 3.278 1.404 2.147 1.00 21.14 C ATOM 1079 O ALA A 67 3.275 0.289 1.644 1.00 61.43 O ATOM 1080 CB ALA A 67 1.218 2.823 1.761 1.00 72.34 C ATOM 0 H ALA A 67 2.178 3.722 3.876 1.00 64.51 H new ATOM 0 HA ALA A 67 1.352 1.111 3.030 1.00 32.43 H new ATOM 0 HB1 ALA A 67 1.003 2.240 0.865 1.00 72.34 H new ATOM 0 HB2 ALA A 67 0.282 3.155 2.211 1.00 72.34 H new ATOM 0 HB3 ALA A 67 1.820 3.691 1.493 1.00 72.34 H new ATOM 1086 N ALA A 68 4.373 2.198 2.229 1.00 75.24 N ATOM 1087 CA ALA A 68 5.723 1.792 1.769 1.00 32.43 C ATOM 1088 C ALA A 68 6.287 0.653 2.646 1.00 15.34 C ATOM 1089 O ALA A 68 6.907 -0.297 2.138 1.00 10.55 O ATOM 1090 CB ALA A 68 6.677 3.004 1.790 1.00 15.04 C ATOM 0 H ALA A 68 4.344 3.141 2.617 1.00 75.24 H new ATOM 0 HA ALA A 68 5.639 1.423 0.747 1.00 32.43 H new ATOM 0 HB1 ALA A 68 7.666 2.695 1.450 1.00 15.04 H new ATOM 0 HB2 ALA A 68 6.293 3.781 1.129 1.00 15.04 H new ATOM 0 HB3 ALA A 68 6.748 3.394 2.805 1.00 15.04 H new ATOM 1096 N LYS A 69 6.069 0.791 3.972 1.00 70.12 N ATOM 1097 CA LYS A 69 6.450 -0.211 4.987 1.00 74.41 C ATOM 1098 C LYS A 69 5.737 -1.546 4.730 1.00 44.13 C ATOM 1099 O LYS A 69 6.371 -2.593 4.700 1.00 25.54 O ATOM 1100 CB LYS A 69 6.105 0.300 6.408 1.00 24.04 C ATOM 1101 CG LYS A 69 6.923 1.531 6.869 1.00 72.02 C ATOM 1102 CD LYS A 69 6.450 2.080 8.235 1.00 75.22 C ATOM 1103 CE LYS A 69 6.601 1.057 9.367 1.00 23.23 C ATOM 1104 NZ LYS A 69 8.025 0.687 9.590 1.00 0.15 N ATOM 0 H LYS A 69 5.617 1.614 4.371 1.00 70.12 H new ATOM 0 HA LYS A 69 7.526 -0.369 4.916 1.00 74.41 H new ATOM 0 HB2 LYS A 69 5.045 0.552 6.441 1.00 24.04 H new ATOM 0 HB3 LYS A 69 6.262 -0.511 7.119 1.00 24.04 H new ATOM 0 HG2 LYS A 69 7.976 1.259 6.936 1.00 72.02 H new ATOM 0 HG3 LYS A 69 6.844 2.317 6.118 1.00 72.02 H new ATOM 0 HD2 LYS A 69 7.022 2.975 8.480 1.00 75.22 H new ATOM 0 HD3 LYS A 69 5.405 2.381 8.159 1.00 75.22 H new ATOM 0 HE2 LYS A 69 6.184 1.468 10.286 1.00 23.23 H new ATOM 0 HE3 LYS A 69 6.026 0.162 9.128 1.00 23.23 H new ATOM 0 HZ1 LYS A 69 8.099 0.087 10.436 1.00 0.15 H new ATOM 0 HZ2 LYS A 69 8.382 0.166 8.764 1.00 0.15 H new ATOM 0 HZ3 LYS A 69 8.591 1.549 9.726 1.00 0.15 H new ATOM 1118 N SER A 70 4.416 -1.468 4.510 1.00 2.11 N ATOM 1119 CA SER A 70 3.558 -2.642 4.304 1.00 10.15 C ATOM 1120 C SER A 70 3.837 -3.275 2.928 1.00 42.11 C ATOM 1121 O SER A 70 3.689 -4.490 2.756 1.00 42.33 O ATOM 1122 CB SER A 70 2.071 -2.231 4.435 1.00 12.23 C ATOM 1123 OG SER A 70 1.254 -3.330 4.790 1.00 3.42 O ATOM 0 H SER A 70 3.911 -0.583 4.470 1.00 2.11 H new ATOM 0 HA SER A 70 3.781 -3.388 5.067 1.00 10.15 H new ATOM 0 HB2 SER A 70 1.975 -1.448 5.187 1.00 12.23 H new ATOM 0 HB3 SER A 70 1.725 -1.810 3.491 1.00 12.23 H new ATOM 0 HG SER A 70 0.743 -3.624 4.007 1.00 3.42 H new ATOM 1129 N LEU A 71 4.245 -2.417 1.964 1.00 55.12 N ATOM 1130 CA LEU A 71 4.522 -2.804 0.570 1.00 54.24 C ATOM 1131 C LEU A 71 5.681 -3.814 0.523 1.00 1.22 C ATOM 1132 O LEU A 71 5.520 -4.919 0.008 1.00 62.32 O ATOM 1133 CB LEU A 71 4.847 -1.528 -0.283 1.00 12.43 C ATOM 1134 CG LEU A 71 4.189 -1.439 -1.695 1.00 32.22 C ATOM 1135 CD1 LEU A 71 4.236 0.001 -2.233 1.00 71.21 C ATOM 1136 CD2 LEU A 71 4.824 -2.423 -2.694 1.00 43.22 C ATOM 0 H LEU A 71 4.392 -1.423 2.140 1.00 55.12 H new ATOM 0 HA LEU A 71 3.640 -3.283 0.145 1.00 54.24 H new ATOM 0 HB2 LEU A 71 4.544 -0.651 0.289 1.00 12.43 H new ATOM 0 HB3 LEU A 71 5.928 -1.469 -0.408 1.00 12.43 H new ATOM 0 HG LEU A 71 3.144 -1.729 -1.582 1.00 32.22 H new ATOM 0 HD11 LEU A 71 3.771 0.037 -3.218 1.00 71.21 H new ATOM 0 HD12 LEU A 71 3.697 0.661 -1.553 1.00 71.21 H new ATOM 0 HD13 LEU A 71 5.273 0.327 -2.309 1.00 71.21 H new ATOM 0 HD21 LEU A 71 4.334 -2.325 -3.663 1.00 43.22 H new ATOM 0 HD22 LEU A 71 5.886 -2.199 -2.800 1.00 43.22 H new ATOM 0 HD23 LEU A 71 4.703 -3.442 -2.328 1.00 43.22 H new ATOM 1148 N LYS A 72 6.826 -3.425 1.132 1.00 34.30 N ATOM 1149 CA LYS A 72 8.069 -4.230 1.124 1.00 10.23 C ATOM 1150 C LYS A 72 7.880 -5.578 1.867 1.00 23.25 C ATOM 1151 O LYS A 72 8.509 -6.583 1.512 1.00 54.54 O ATOM 1152 CB LYS A 72 9.245 -3.418 1.743 1.00 73.02 C ATOM 1153 CG LYS A 72 9.095 -3.129 3.249 1.00 0.44 C ATOM 1154 CD LYS A 72 10.239 -2.274 3.833 1.00 15.12 C ATOM 1155 CE LYS A 72 10.120 -2.115 5.359 1.00 14.25 C ATOM 1156 NZ LYS A 72 10.220 -3.421 6.068 1.00 44.33 N ATOM 0 H LYS A 72 6.913 -2.546 1.642 1.00 34.30 H new ATOM 0 HA LYS A 72 8.311 -4.460 0.087 1.00 10.23 H new ATOM 0 HB2 LYS A 72 10.173 -3.966 1.581 1.00 73.02 H new ATOM 0 HB3 LYS A 72 9.336 -2.471 1.211 1.00 73.02 H new ATOM 0 HG2 LYS A 72 8.148 -2.618 3.419 1.00 0.44 H new ATOM 0 HG3 LYS A 72 9.048 -4.075 3.789 1.00 0.44 H new ATOM 0 HD2 LYS A 72 11.196 -2.735 3.590 1.00 15.12 H new ATOM 0 HD3 LYS A 72 10.231 -1.290 3.364 1.00 15.12 H new ATOM 0 HE2 LYS A 72 10.905 -1.448 5.716 1.00 14.25 H new ATOM 0 HE3 LYS A 72 9.167 -1.644 5.601 1.00 14.25 H new ATOM 0 HZ1 LYS A 72 10.356 -3.254 7.085 1.00 44.33 H new ATOM 0 HZ2 LYS A 72 9.345 -3.964 5.920 1.00 44.33 H new ATOM 0 HZ3 LYS A 72 11.028 -3.958 5.694 1.00 44.33 H new ATOM 1170 N GLU A 73 6.995 -5.575 2.886 1.00 33.33 N ATOM 1171 CA GLU A 73 6.656 -6.771 3.681 1.00 75.25 C ATOM 1172 C GLU A 73 5.789 -7.734 2.856 1.00 40.05 C ATOM 1173 O GLU A 73 5.921 -8.958 2.964 1.00 32.44 O ATOM 1174 CB GLU A 73 5.928 -6.351 4.983 1.00 72.13 C ATOM 1175 CG GLU A 73 6.769 -5.425 5.889 1.00 15.11 C ATOM 1176 CD GLU A 73 6.004 -4.910 7.117 1.00 4.43 C ATOM 1177 OE1 GLU A 73 4.900 -4.353 6.940 1.00 35.04 O ATOM 1178 OE2 GLU A 73 6.503 -5.036 8.257 1.00 72.54 O ATOM 0 H GLU A 73 6.493 -4.737 3.181 1.00 33.33 H new ATOM 0 HA GLU A 73 7.575 -7.291 3.950 1.00 75.25 H new ATOM 0 HB2 GLU A 73 4.998 -5.845 4.723 1.00 72.13 H new ATOM 0 HB3 GLU A 73 5.657 -7.246 5.543 1.00 72.13 H new ATOM 0 HG2 GLU A 73 7.656 -5.964 6.223 1.00 15.11 H new ATOM 0 HG3 GLU A 73 7.115 -4.574 5.303 1.00 15.11 H new ATOM 1185 N ALA A 74 4.902 -7.159 2.024 1.00 21.10 N ATOM 1186 CA ALA A 74 4.087 -7.928 1.081 1.00 73.34 C ATOM 1187 C ALA A 74 4.980 -8.553 -0.007 1.00 12.02 C ATOM 1188 O ALA A 74 4.762 -9.692 -0.388 1.00 64.32 O ATOM 1189 CB ALA A 74 2.986 -7.050 0.464 1.00 53.21 C ATOM 0 H ALA A 74 4.734 -6.153 1.990 1.00 21.10 H new ATOM 0 HA ALA A 74 3.595 -8.736 1.624 1.00 73.34 H new ATOM 0 HB1 ALA A 74 2.395 -7.644 -0.233 1.00 53.21 H new ATOM 0 HB2 ALA A 74 2.340 -6.668 1.254 1.00 53.21 H new ATOM 0 HB3 ALA A 74 3.442 -6.215 -0.068 1.00 53.21 H new ATOM 1195 N ILE A 75 6.024 -7.805 -0.449 1.00 40.24 N ATOM 1196 CA ILE A 75 6.950 -8.244 -1.526 1.00 71.15 C ATOM 1197 C ILE A 75 7.786 -9.456 -1.095 1.00 64.12 C ATOM 1198 O ILE A 75 7.961 -10.398 -1.882 1.00 32.32 O ATOM 1199 CB ILE A 75 7.874 -7.074 -2.006 1.00 2.05 C ATOM 1200 CG1 ILE A 75 6.998 -5.910 -2.551 1.00 43.41 C ATOM 1201 CG2 ILE A 75 8.893 -7.536 -3.086 1.00 31.01 C ATOM 1202 CD1 ILE A 75 7.724 -4.600 -2.668 1.00 53.33 C ATOM 0 H ILE A 75 6.247 -6.884 -0.071 1.00 40.24 H new ATOM 0 HA ILE A 75 6.332 -8.549 -2.370 1.00 71.15 H new ATOM 0 HB ILE A 75 8.452 -6.730 -1.148 1.00 2.05 H new ATOM 0 HG12 ILE A 75 6.612 -6.188 -3.532 1.00 43.41 H new ATOM 0 HG13 ILE A 75 6.137 -5.779 -1.895 1.00 43.41 H new ATOM 0 HG21 ILE A 75 9.512 -6.691 -3.388 1.00 31.01 H new ATOM 0 HG22 ILE A 75 9.527 -8.322 -2.675 1.00 31.01 H new ATOM 0 HG23 ILE A 75 8.355 -7.920 -3.953 1.00 31.01 H new ATOM 0 HD11 ILE A 75 7.044 -3.841 -3.055 1.00 53.33 H new ATOM 0 HD12 ILE A 75 8.087 -4.296 -1.686 1.00 53.33 H new ATOM 0 HD13 ILE A 75 8.568 -4.712 -3.348 1.00 53.33 H new ATOM 1214 N THR A 76 8.262 -9.441 0.164 1.00 64.13 N ATOM 1215 CA THR A 76 8.987 -10.583 0.753 1.00 41.34 C ATOM 1216 C THR A 76 8.079 -11.834 0.821 1.00 43.35 C ATOM 1217 O THR A 76 8.563 -12.971 0.804 1.00 55.21 O ATOM 1218 CB THR A 76 9.548 -10.239 2.175 1.00 54.33 C ATOM 1219 OG1 THR A 76 8.490 -9.796 3.035 1.00 22.35 O ATOM 1220 CG2 THR A 76 10.630 -9.152 2.116 1.00 1.13 C ATOM 0 H THR A 76 8.157 -8.647 0.796 1.00 64.13 H new ATOM 0 HA THR A 76 9.835 -10.801 0.103 1.00 41.34 H new ATOM 0 HB THR A 76 9.995 -11.151 2.571 1.00 54.33 H new ATOM 0 HG1 THR A 76 7.661 -9.714 2.519 1.00 22.35 H new ATOM 0 HG21 THR A 76 10.992 -8.944 3.123 1.00 1.13 H new ATOM 0 HG22 THR A 76 11.458 -9.496 1.497 1.00 1.13 H new ATOM 0 HG23 THR A 76 10.209 -8.243 1.686 1.00 1.13 H new ATOM 1228 N ALA A 77 6.755 -11.600 0.869 1.00 60.03 N ATOM 1229 CA ALA A 77 5.736 -12.659 0.904 1.00 35.21 C ATOM 1230 C ALA A 77 5.259 -13.067 -0.511 1.00 71.31 C ATOM 1231 O ALA A 77 4.713 -14.164 -0.659 1.00 13.14 O ATOM 1232 CB ALA A 77 4.547 -12.207 1.773 1.00 60.04 C ATOM 0 H ALA A 77 6.361 -10.659 0.885 1.00 60.03 H new ATOM 0 HA ALA A 77 6.193 -13.545 1.345 1.00 35.21 H new ATOM 0 HB1 ALA A 77 3.794 -12.994 1.797 1.00 60.04 H new ATOM 0 HB2 ALA A 77 4.893 -12.005 2.787 1.00 60.04 H new ATOM 0 HB3 ALA A 77 4.112 -11.301 1.351 1.00 60.04 H new ATOM 1238 N ILE A 78 5.468 -12.196 -1.546 1.00 1.42 N ATOM 1239 CA ILE A 78 5.037 -12.495 -2.941 1.00 22.23 C ATOM 1240 C ILE A 78 5.824 -13.709 -3.491 1.00 13.23 C ATOM 1241 O ILE A 78 7.067 -13.652 -3.537 1.00 71.23 O ATOM 1242 CB ILE A 78 5.232 -11.293 -3.965 1.00 13.01 C ATOM 1243 CG1 ILE A 78 4.484 -10.013 -3.503 1.00 50.11 C ATOM 1244 CG2 ILE A 78 4.758 -11.697 -5.396 1.00 42.14 C ATOM 1245 CD1 ILE A 78 4.683 -8.784 -4.385 1.00 41.14 C ATOM 0 H ILE A 78 5.928 -11.292 -1.438 1.00 1.42 H new ATOM 0 HA ILE A 78 3.968 -12.695 -2.868 1.00 22.23 H new ATOM 0 HB ILE A 78 6.299 -11.070 -3.993 1.00 13.01 H new ATOM 0 HG12 ILE A 78 3.418 -10.234 -3.452 1.00 50.11 H new ATOM 0 HG13 ILE A 78 4.807 -9.769 -2.491 1.00 50.11 H new ATOM 0 HG21 ILE A 78 4.902 -10.858 -6.077 1.00 42.14 H new ATOM 0 HG22 ILE A 78 5.339 -12.551 -5.744 1.00 42.14 H new ATOM 0 HG23 ILE A 78 3.702 -11.964 -5.367 1.00 42.14 H new ATOM 0 HD11 ILE A 78 4.119 -7.946 -3.975 1.00 41.14 H new ATOM 0 HD12 ILE A 78 5.742 -8.527 -4.418 1.00 41.14 H new ATOM 0 HD13 ILE A 78 4.331 -8.999 -5.394 1.00 41.14 H new ATOM 1369 N GLU A 86 8.931 -7.043 -10.451 1.00 14.21 N ATOM 1370 CA GLU A 86 8.175 -5.875 -10.962 1.00 73.20 C ATOM 1371 C GLU A 86 7.487 -5.123 -9.797 1.00 2.31 C ATOM 1372 O GLU A 86 7.438 -3.891 -9.770 1.00 24.22 O ATOM 1373 CB GLU A 86 7.115 -6.337 -12.005 1.00 31.13 C ATOM 1374 CG GLU A 86 6.080 -7.342 -11.453 1.00 12.40 C ATOM 1375 CD GLU A 86 4.948 -7.696 -12.427 1.00 52.41 C ATOM 1376 OE1 GLU A 86 4.086 -6.828 -12.680 1.00 14.42 O ATOM 1377 OE2 GLU A 86 4.885 -8.844 -12.908 1.00 13.51 O ATOM 0 HA GLU A 86 8.874 -5.194 -11.448 1.00 73.20 H new ATOM 0 HB2 GLU A 86 6.588 -5.461 -12.383 1.00 31.13 H new ATOM 0 HB3 GLU A 86 7.629 -6.791 -12.852 1.00 31.13 H new ATOM 0 HG2 GLU A 86 6.598 -8.258 -11.171 1.00 12.40 H new ATOM 0 HG3 GLU A 86 5.643 -6.930 -10.543 1.00 12.40 H new ATOM 1384 N ALA A 87 7.002 -5.911 -8.825 1.00 42.12 N ATOM 1385 CA ALA A 87 6.245 -5.426 -7.671 1.00 33.43 C ATOM 1386 C ALA A 87 7.157 -4.743 -6.635 1.00 41.11 C ATOM 1387 O ALA A 87 6.694 -3.900 -5.859 1.00 33.31 O ATOM 1388 CB ALA A 87 5.470 -6.592 -7.046 1.00 23.41 C ATOM 0 H ALA A 87 7.130 -6.923 -8.824 1.00 42.12 H new ATOM 0 HA ALA A 87 5.539 -4.668 -8.012 1.00 33.43 H new ATOM 0 HB1 ALA A 87 4.905 -6.234 -6.186 1.00 23.41 H new ATOM 0 HB2 ALA A 87 4.784 -7.009 -7.783 1.00 23.41 H new ATOM 0 HB3 ALA A 87 6.170 -7.363 -6.725 1.00 23.41 H new ATOM 1394 N LYS A 88 8.451 -5.133 -6.632 1.00 1.53 N ATOM 1395 CA LYS A 88 9.462 -4.592 -5.713 1.00 64.42 C ATOM 1396 C LYS A 88 9.708 -3.099 -5.977 1.00 23.50 C ATOM 1397 O LYS A 88 9.935 -2.312 -5.047 1.00 25.32 O ATOM 1398 CB LYS A 88 10.775 -5.397 -5.812 1.00 24.43 C ATOM 1399 CG LYS A 88 11.830 -4.996 -4.761 1.00 11.42 C ATOM 1400 CD LYS A 88 12.986 -6.003 -4.672 1.00 73.22 C ATOM 1401 CE LYS A 88 14.000 -5.619 -3.586 1.00 45.55 C ATOM 1402 NZ LYS A 88 13.384 -5.589 -2.233 1.00 62.03 N ATOM 0 H LYS A 88 8.819 -5.836 -7.273 1.00 1.53 H new ATOM 0 HA LYS A 88 9.081 -4.689 -4.696 1.00 64.42 H new ATOM 0 HB2 LYS A 88 10.550 -6.458 -5.701 1.00 24.43 H new ATOM 0 HB3 LYS A 88 11.198 -5.264 -6.808 1.00 24.43 H new ATOM 0 HG2 LYS A 88 12.228 -4.012 -5.008 1.00 11.42 H new ATOM 0 HG3 LYS A 88 11.352 -4.910 -3.785 1.00 11.42 H new ATOM 0 HD2 LYS A 88 12.587 -6.995 -4.461 1.00 73.22 H new ATOM 0 HD3 LYS A 88 13.492 -6.061 -5.636 1.00 73.22 H new ATOM 0 HE2 LYS A 88 14.825 -6.331 -3.593 1.00 45.55 H new ATOM 0 HE3 LYS A 88 14.422 -4.640 -3.814 1.00 45.55 H new ATOM 0 HZ1 LYS A 88 14.132 -5.545 -1.512 1.00 62.03 H new ATOM 0 HZ2 LYS A 88 12.772 -4.752 -2.149 1.00 62.03 H new ATOM 0 HZ3 LYS A 88 12.817 -6.449 -2.091 1.00 62.03 H new ATOM 1416 N GLU A 89 9.611 -2.730 -7.266 1.00 4.23 N ATOM 1417 CA GLU A 89 9.767 -1.354 -7.749 1.00 11.31 C ATOM 1418 C GLU A 89 8.744 -0.398 -7.113 1.00 21.41 C ATOM 1419 O GLU A 89 9.015 0.796 -6.978 1.00 2.52 O ATOM 1420 CB GLU A 89 9.654 -1.315 -9.290 1.00 75.35 C ATOM 1421 CG GLU A 89 10.802 -2.029 -10.029 1.00 22.25 C ATOM 1422 CD GLU A 89 12.196 -1.464 -9.684 1.00 23.32 C ATOM 1423 OE1 GLU A 89 12.382 -0.226 -9.734 1.00 25.33 O ATOM 1424 OE2 GLU A 89 13.121 -2.246 -9.373 1.00 4.51 O ATOM 0 H GLU A 89 9.418 -3.396 -8.014 1.00 4.23 H new ATOM 0 HA GLU A 89 10.758 -1.012 -7.451 1.00 11.31 H new ATOM 0 HB2 GLU A 89 8.709 -1.771 -9.585 1.00 75.35 H new ATOM 0 HB3 GLU A 89 9.621 -0.275 -9.614 1.00 75.35 H new ATOM 0 HG2 GLU A 89 10.777 -3.091 -9.784 1.00 22.25 H new ATOM 0 HG3 GLU A 89 10.640 -1.946 -11.104 1.00 22.25 H new ATOM 1431 N MET A 90 7.574 -0.936 -6.743 1.00 4.05 N ATOM 1432 CA MET A 90 6.481 -0.154 -6.149 1.00 74.33 C ATOM 1433 C MET A 90 6.842 0.337 -4.732 1.00 41.31 C ATOM 1434 O MET A 90 6.515 1.473 -4.365 1.00 62.11 O ATOM 1435 CB MET A 90 5.193 -0.996 -6.116 1.00 70.14 C ATOM 1436 CG MET A 90 4.730 -1.491 -7.492 1.00 51.11 C ATOM 1437 SD MET A 90 3.107 -2.278 -7.437 1.00 41.40 S ATOM 1438 CE MET A 90 3.349 -3.548 -6.215 1.00 55.35 C ATOM 0 H MET A 90 7.358 -1.927 -6.847 1.00 4.05 H new ATOM 0 HA MET A 90 6.318 0.727 -6.769 1.00 74.33 H new ATOM 0 HB2 MET A 90 5.352 -1.857 -5.467 1.00 70.14 H new ATOM 0 HB3 MET A 90 4.396 -0.403 -5.669 1.00 70.14 H new ATOM 0 HG2 MET A 90 4.698 -0.650 -8.185 1.00 51.11 H new ATOM 0 HG3 MET A 90 5.460 -2.199 -7.884 1.00 51.11 H new ATOM 0 HE1 MET A 90 2.662 -4.373 -6.406 1.00 55.35 H new ATOM 0 HE2 MET A 90 4.375 -3.911 -6.266 1.00 55.35 H new ATOM 0 HE3 MET A 90 3.158 -3.139 -5.223 1.00 55.35 H new ATOM 1448 N ALA A 91 7.518 -0.535 -3.941 1.00 13.55 N ATOM 1449 CA ALA A 91 8.031 -0.176 -2.597 1.00 53.00 C ATOM 1450 C ALA A 91 9.079 0.928 -2.714 1.00 11.10 C ATOM 1451 O ALA A 91 9.111 1.856 -1.905 1.00 13.24 O ATOM 1452 CB ALA A 91 8.632 -1.397 -1.892 1.00 25.15 C ATOM 0 H ALA A 91 7.720 -1.497 -4.215 1.00 13.55 H new ATOM 0 HA ALA A 91 7.194 0.185 -1.999 1.00 53.00 H new ATOM 0 HB1 ALA A 91 9.000 -1.105 -0.909 1.00 25.15 H new ATOM 0 HB2 ALA A 91 7.867 -2.165 -1.779 1.00 25.15 H new ATOM 0 HB3 ALA A 91 9.457 -1.791 -2.486 1.00 25.15 H new ATOM 1458 N LYS A 92 9.913 0.802 -3.762 1.00 35.24 N ATOM 1459 CA LYS A 92 10.964 1.768 -4.093 1.00 42.43 C ATOM 1460 C LYS A 92 10.352 3.127 -4.482 1.00 41.43 C ATOM 1461 O LYS A 92 10.858 4.166 -4.073 1.00 51.12 O ATOM 1462 CB LYS A 92 11.840 1.209 -5.239 1.00 62.54 C ATOM 1463 CG LYS A 92 12.541 -0.122 -4.891 1.00 42.43 C ATOM 1464 CD LYS A 92 13.237 -0.768 -6.107 1.00 64.42 C ATOM 1465 CE LYS A 92 14.306 0.134 -6.755 1.00 12.50 C ATOM 1466 NZ LYS A 92 14.975 -0.544 -7.899 1.00 53.24 N ATOM 0 H LYS A 92 9.871 0.014 -4.408 1.00 35.24 H new ATOM 0 HA LYS A 92 11.591 1.926 -3.215 1.00 42.43 H new ATOM 0 HB2 LYS A 92 11.218 1.062 -6.122 1.00 62.54 H new ATOM 0 HB3 LYS A 92 12.595 1.950 -5.502 1.00 62.54 H new ATOM 0 HG2 LYS A 92 13.278 0.055 -4.108 1.00 42.43 H new ATOM 0 HG3 LYS A 92 11.807 -0.819 -4.486 1.00 42.43 H new ATOM 0 HD2 LYS A 92 13.703 -1.703 -5.795 1.00 64.42 H new ATOM 0 HD3 LYS A 92 12.485 -1.021 -6.854 1.00 64.42 H new ATOM 0 HE2 LYS A 92 13.843 1.058 -7.100 1.00 12.50 H new ATOM 0 HE3 LYS A 92 15.051 0.410 -6.009 1.00 12.50 H new ATOM 0 HZ1 LYS A 92 15.184 0.153 -8.642 1.00 53.24 H new ATOM 0 HZ2 LYS A 92 15.861 -0.980 -7.574 1.00 53.24 H new ATOM 0 HZ3 LYS A 92 14.347 -1.280 -8.282 1.00 53.24 H new ATOM 1480 N LYS A 93 9.240 3.090 -5.246 1.00 4.43 N ATOM 1481 CA LYS A 93 8.501 4.301 -5.676 1.00 15.24 C ATOM 1482 C LYS A 93 7.945 5.058 -4.459 1.00 33.14 C ATOM 1483 O LYS A 93 8.109 6.277 -4.348 1.00 63.43 O ATOM 1484 CB LYS A 93 7.343 3.911 -6.646 1.00 21.24 C ATOM 1485 CG LYS A 93 7.763 3.680 -8.117 1.00 51.44 C ATOM 1486 CD LYS A 93 8.085 5.010 -8.837 1.00 1.42 C ATOM 1487 CE LYS A 93 8.559 4.822 -10.290 1.00 22.44 C ATOM 1488 NZ LYS A 93 9.823 4.044 -10.376 1.00 73.35 N ATOM 0 H LYS A 93 8.827 2.220 -5.583 1.00 4.43 H new ATOM 0 HA LYS A 93 9.193 4.958 -6.202 1.00 15.24 H new ATOM 0 HB2 LYS A 93 6.869 3.003 -6.274 1.00 21.24 H new ATOM 0 HB3 LYS A 93 6.589 4.697 -6.620 1.00 21.24 H new ATOM 0 HG2 LYS A 93 8.637 3.029 -8.148 1.00 51.44 H new ATOM 0 HG3 LYS A 93 6.962 3.164 -8.647 1.00 51.44 H new ATOM 0 HD2 LYS A 93 7.196 5.641 -8.832 1.00 1.42 H new ATOM 0 HD3 LYS A 93 8.856 5.540 -8.277 1.00 1.42 H new ATOM 0 HE2 LYS A 93 7.782 4.312 -10.860 1.00 22.44 H new ATOM 0 HE3 LYS A 93 8.704 5.799 -10.752 1.00 22.44 H new ATOM 0 HZ1 LYS A 93 10.165 4.045 -11.358 1.00 73.35 H new ATOM 0 HZ2 LYS A 93 10.540 4.477 -9.760 1.00 73.35 H new ATOM 0 HZ3 LYS A 93 9.650 3.065 -10.070 1.00 73.35 H new ATOM 1502 N ALA A 94 7.316 4.292 -3.548 1.00 44.03 N ATOM 1503 CA ALA A 94 6.709 4.821 -2.314 1.00 75.24 C ATOM 1504 C ALA A 94 7.779 5.369 -1.342 1.00 31.52 C ATOM 1505 O ALA A 94 7.524 6.329 -0.609 1.00 60.53 O ATOM 1506 CB ALA A 94 5.845 3.729 -1.655 1.00 2.43 C ATOM 0 H ALA A 94 7.215 3.282 -3.649 1.00 44.03 H new ATOM 0 HA ALA A 94 6.068 5.663 -2.573 1.00 75.24 H new ATOM 0 HB1 ALA A 94 5.397 4.121 -0.742 1.00 2.43 H new ATOM 0 HB2 ALA A 94 5.058 3.423 -2.344 1.00 2.43 H new ATOM 0 HB3 ALA A 94 6.469 2.869 -1.412 1.00 2.43 H new ATOM 1512 N GLU A 95 8.981 4.752 -1.376 1.00 63.31 N ATOM 1513 CA GLU A 95 10.143 5.155 -0.558 1.00 42.43 C ATOM 1514 C GLU A 95 10.783 6.440 -1.141 1.00 2.14 C ATOM 1515 O GLU A 95 11.263 7.289 -0.394 1.00 13.34 O ATOM 1516 CB GLU A 95 11.153 3.959 -0.485 1.00 11.21 C ATOM 1517 CG GLU A 95 12.220 4.015 0.651 1.00 21.51 C ATOM 1518 CD GLU A 95 13.454 4.885 0.339 1.00 2.32 C ATOM 1519 OE1 GLU A 95 14.266 4.487 -0.524 1.00 23.35 O ATOM 1520 OE2 GLU A 95 13.632 5.957 0.953 1.00 24.03 O ATOM 0 H GLU A 95 9.172 3.952 -1.979 1.00 63.31 H new ATOM 0 HA GLU A 95 9.831 5.393 0.459 1.00 42.43 H new ATOM 0 HB2 GLU A 95 10.582 3.037 -0.371 1.00 11.21 H new ATOM 0 HB3 GLU A 95 11.675 3.895 -1.440 1.00 11.21 H new ATOM 0 HG2 GLU A 95 11.746 4.394 1.557 1.00 21.51 H new ATOM 0 HG3 GLU A 95 12.554 3.000 0.866 1.00 21.51 H new ATOM 1527 N GLU A 96 10.743 6.577 -2.483 1.00 32.22 N ATOM 1528 CA GLU A 96 11.217 7.786 -3.194 1.00 20.21 C ATOM 1529 C GLU A 96 10.334 9.000 -2.836 1.00 42.41 C ATOM 1530 O GLU A 96 10.840 10.106 -2.607 1.00 0.51 O ATOM 1531 CB GLU A 96 11.208 7.569 -4.738 1.00 75.23 C ATOM 1532 CG GLU A 96 12.304 6.634 -5.290 1.00 22.21 C ATOM 1533 CD GLU A 96 13.723 7.201 -5.133 1.00 3.34 C ATOM 1534 OE1 GLU A 96 14.064 8.170 -5.847 1.00 24.43 O ATOM 1535 OE2 GLU A 96 14.506 6.692 -4.302 1.00 21.44 O ATOM 0 H GLU A 96 10.382 5.854 -3.105 1.00 32.22 H new ATOM 0 HA GLU A 96 12.242 7.979 -2.877 1.00 20.21 H new ATOM 0 HB2 GLU A 96 10.236 7.167 -5.024 1.00 75.23 H new ATOM 0 HB3 GLU A 96 11.307 8.540 -5.223 1.00 75.23 H new ATOM 0 HG2 GLU A 96 12.245 5.674 -4.777 1.00 22.21 H new ATOM 0 HG3 GLU A 96 12.111 6.443 -6.346 1.00 22.21 H new ATOM 1542 N TRP A 97 9.004 8.765 -2.797 1.00 34.31 N ATOM 1543 CA TRP A 97 8.012 9.786 -2.412 1.00 40.11 C ATOM 1544 C TRP A 97 8.187 10.173 -0.943 1.00 73.21 C ATOM 1545 O TRP A 97 8.043 11.342 -0.586 1.00 53.33 O ATOM 1546 CB TRP A 97 6.571 9.272 -2.654 1.00 24.31 C ATOM 1547 CG TRP A 97 6.257 8.963 -4.093 1.00 43.22 C ATOM 1548 CD1 TRP A 97 6.778 9.568 -5.201 1.00 14.31 C ATOM 1549 CD2 TRP A 97 5.326 7.989 -4.577 1.00 31.13 C ATOM 1550 NE1 TRP A 97 6.263 8.998 -6.334 1.00 21.13 N ATOM 1551 CE2 TRP A 97 5.370 8.032 -5.977 1.00 4.03 C ATOM 1552 CE3 TRP A 97 4.477 7.072 -3.956 1.00 62.21 C ATOM 1553 CZ2 TRP A 97 4.594 7.202 -6.767 1.00 14.32 C ATOM 1554 CZ3 TRP A 97 3.703 6.251 -4.741 1.00 2.31 C ATOM 1555 CH2 TRP A 97 3.779 6.315 -6.134 1.00 20.33 C ATOM 0 H TRP A 97 8.591 7.862 -3.032 1.00 34.31 H new ATOM 0 HA TRP A 97 8.176 10.667 -3.033 1.00 40.11 H new ATOM 0 HB2 TRP A 97 6.414 8.372 -2.059 1.00 24.31 H new ATOM 0 HB3 TRP A 97 5.865 10.020 -2.293 1.00 24.31 H new ATOM 0 HD1 TRP A 97 7.492 10.378 -5.186 1.00 14.31 H new ATOM 0 HE1 TRP A 97 6.508 9.255 -7.290 1.00 21.13 H new ATOM 0 HE3 TRP A 97 4.429 7.009 -2.879 1.00 62.21 H new ATOM 0 HZ2 TRP A 97 4.634 7.256 -7.845 1.00 14.32 H new ATOM 0 HZ3 TRP A 97 3.028 5.548 -4.275 1.00 2.31 H new ATOM 0 HH2 TRP A 97 3.175 5.642 -6.725 1.00 20.33 H new ATOM 1566 N LEU A 98 8.517 9.163 -0.114 1.00 62.14 N ATOM 1567 CA LEU A 98 8.776 9.337 1.318 1.00 61.35 C ATOM 1568 C LEU A 98 9.934 10.332 1.545 1.00 5.33 C ATOM 1569 O LEU A 98 9.820 11.214 2.396 1.00 53.32 O ATOM 1570 CB LEU A 98 9.088 7.963 1.965 1.00 5.24 C ATOM 1571 CG LEU A 98 9.357 7.959 3.503 1.00 40.54 C ATOM 1572 CD1 LEU A 98 8.158 8.537 4.279 1.00 72.14 C ATOM 1573 CD2 LEU A 98 9.723 6.541 3.997 1.00 40.14 C ATOM 0 H LEU A 98 8.611 8.197 -0.428 1.00 62.14 H new ATOM 0 HA LEU A 98 7.886 9.751 1.792 1.00 61.35 H new ATOM 0 HB2 LEU A 98 8.251 7.294 1.764 1.00 5.24 H new ATOM 0 HB3 LEU A 98 9.960 7.542 1.466 1.00 5.24 H new ATOM 0 HG LEU A 98 10.212 8.606 3.697 1.00 40.54 H new ATOM 0 HD11 LEU A 98 8.374 8.521 5.347 1.00 72.14 H new ATOM 0 HD12 LEU A 98 7.979 9.564 3.960 1.00 72.14 H new ATOM 0 HD13 LEU A 98 7.271 7.935 4.080 1.00 72.14 H new ATOM 0 HD21 LEU A 98 9.905 6.566 5.071 1.00 40.14 H new ATOM 0 HD22 LEU A 98 8.901 5.858 3.784 1.00 40.14 H new ATOM 0 HD23 LEU A 98 10.622 6.198 3.484 1.00 40.14 H new ATOM 1585 N GLN A 99 11.022 10.188 0.742 1.00 41.42 N ATOM 1586 CA GLN A 99 12.191 11.107 0.764 1.00 72.41 C ATOM 1587 C GLN A 99 11.759 12.539 0.407 1.00 54.32 C ATOM 1588 O GLN A 99 12.132 13.500 1.088 1.00 63.15 O ATOM 1589 CB GLN A 99 13.281 10.646 -0.243 1.00 0.33 C ATOM 1590 CG GLN A 99 13.813 9.221 -0.015 1.00 32.12 C ATOM 1591 CD GLN A 99 14.765 8.760 -1.121 1.00 34.33 C ATOM 1592 OE1 GLN A 99 15.520 9.554 -1.691 1.00 35.34 O ATOM 1593 NE2 GLN A 99 14.710 7.487 -1.475 1.00 73.22 N ATOM 0 H GLN A 99 11.113 9.433 0.063 1.00 41.42 H new ATOM 0 HA GLN A 99 12.603 11.088 1.773 1.00 72.41 H new ATOM 0 HB2 GLN A 99 12.873 10.709 -1.252 1.00 0.33 H new ATOM 0 HB3 GLN A 99 14.118 11.343 -0.194 1.00 0.33 H new ATOM 0 HG2 GLN A 99 14.330 9.180 0.944 1.00 32.12 H new ATOM 0 HG3 GLN A 99 12.973 8.530 0.046 1.00 32.12 H new ATOM 0 HE21 GLN A 99 14.079 6.850 -0.990 1.00 73.22 H new ATOM 0 HE22 GLN A 99 15.299 7.143 -2.233 1.00 73.22 H new ATOM 1602 N ALA A 100 10.943 12.644 -0.665 1.00 74.21 N ATOM 1603 CA ALA A 100 10.427 13.925 -1.189 1.00 40.51 C ATOM 1604 C ALA A 100 9.557 14.664 -0.150 1.00 22.45 C ATOM 1605 O ALA A 100 9.487 15.902 -0.155 1.00 61.51 O ATOM 1606 CB ALA A 100 9.635 13.678 -2.488 1.00 41.13 C ATOM 0 H ALA A 100 10.622 11.834 -1.195 1.00 74.21 H new ATOM 0 HA ALA A 100 11.280 14.568 -1.406 1.00 40.51 H new ATOM 0 HB1 ALA A 100 9.257 14.626 -2.870 1.00 41.13 H new ATOM 0 HB2 ALA A 100 10.289 13.222 -3.232 1.00 41.13 H new ATOM 0 HB3 ALA A 100 8.798 13.010 -2.283 1.00 41.13 H new ATOM 1612 N GLU A 101 8.912 13.892 0.742 1.00 55.32 N ATOM 1613 CA GLU A 101 8.046 14.425 1.811 1.00 14.11 C ATOM 1614 C GLU A 101 8.834 14.834 3.069 1.00 52.43 C ATOM 1615 O GLU A 101 8.269 15.456 3.973 1.00 70.45 O ATOM 1616 CB GLU A 101 6.964 13.378 2.181 1.00 5.40 C ATOM 1617 CG GLU A 101 5.927 13.113 1.074 1.00 63.44 C ATOM 1618 CD GLU A 101 5.186 14.374 0.620 1.00 21.50 C ATOM 1619 OE1 GLU A 101 4.521 15.014 1.461 1.00 32.30 O ATOM 1620 OE2 GLU A 101 5.268 14.742 -0.568 1.00 72.20 O ATOM 0 H GLU A 101 8.977 12.874 0.742 1.00 55.32 H new ATOM 0 HA GLU A 101 7.576 15.329 1.423 1.00 14.11 H new ATOM 0 HB2 GLU A 101 7.456 12.439 2.432 1.00 5.40 H new ATOM 0 HB3 GLU A 101 6.442 13.714 3.077 1.00 5.40 H new ATOM 0 HG2 GLU A 101 6.429 12.667 0.216 1.00 63.44 H new ATOM 0 HG3 GLU A 101 5.201 12.384 1.433 1.00 63.44 H new