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+ 148:sc= 0.983 (180deg=0.465) USER MOD Set 1.2: A 47 TYR OH : rot 30:sc= 0.64 USER MOD Single : A 24 MET CE :methyl 159:sc= -0.259 (180deg=-0.989) USER MOD Single : A 29 TYR OH : rot 37:sc= -0.454 USER MOD Single : A 30 ASN : amide:sc= 0.211 X(o=0.21,f=-0.063) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= -0.0293 (180deg=-0.353) USER MOD Single : A 38 MET CE :methyl 179:sc= -0.926 (180deg=-0.957) USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= -0.0355 (180deg=-0.255) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -134:sc= -0.646 (180deg=-2.75!) USER MOD Single : A 59 HIS : no HD1:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00401 USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 0.401 (180deg=0.189) USER MOD Single : A 70 SER OG : rot -103:sc= 0.93 USER MOD Single : A 72 LYS NZ :NH3+ 146:sc= 0.2 (180deg=-0.0367) USER MOD Single : A 76 THR OG1 : rot -24:sc= 0.0722 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -130:sc= -1.24 (180deg=-1.98!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.377 K(o=-0.38,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -10.235 8.749 1.648 1.00 42.53 N ATOM 369 CA MET A 24 -10.284 7.381 1.057 1.00 64.33 C ATOM 370 C MET A 24 -8.946 6.621 1.153 1.00 11.24 C ATOM 371 O MET A 24 -8.971 5.393 1.184 1.00 60.14 O ATOM 372 CB MET A 24 -10.754 7.431 -0.429 1.00 21.24 C ATOM 373 CG MET A 24 -12.261 7.661 -0.638 1.00 31.41 C ATOM 374 SD MET A 24 -12.791 9.331 -0.212 1.00 71.53 S ATOM 375 CE MET A 24 -11.790 10.305 -1.335 1.00 23.21 C ATOM 0 HA MET A 24 -11.009 6.829 1.655 1.00 64.33 H new ATOM 0 HB2 MET A 24 -10.209 8.226 -0.938 1.00 21.24 H new ATOM 0 HB3 MET A 24 -10.476 6.494 -0.912 1.00 21.24 H new ATOM 0 HG2 MET A 24 -12.511 7.462 -1.680 1.00 31.41 H new ATOM 0 HG3 MET A 24 -12.818 6.945 -0.034 1.00 31.41 H new ATOM 0 HE1 MET A 24 -12.244 11.287 -1.469 1.00 23.21 H new ATOM 0 HE2 MET A 24 -10.788 10.422 -0.921 1.00 23.21 H new ATOM 0 HE3 MET A 24 -11.728 9.799 -2.299 1.00 23.21 H new ATOM 385 N GLY A 25 -7.809 7.337 1.212 1.00 62.31 N ATOM 386 CA GLY A 25 -6.463 6.733 1.057 1.00 43.54 C ATOM 387 C GLY A 25 -6.176 5.507 1.928 1.00 71.10 C ATOM 388 O GLY A 25 -5.551 4.538 1.465 1.00 3.51 O ATOM 0 H GLY A 25 -7.791 8.345 1.367 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -6.330 6.452 0.012 1.00 43.54 H new ATOM 0 HA3 GLY A 25 -5.716 7.495 1.279 1.00 43.54 H new ATOM 392 N ARG A 26 -6.647 5.548 3.187 1.00 73.45 N ATOM 393 CA ARG A 26 -6.440 4.459 4.163 1.00 65.43 C ATOM 394 C ARG A 26 -7.304 3.224 3.847 1.00 60.41 C ATOM 395 O ARG A 26 -6.933 2.110 4.213 1.00 22.23 O ATOM 396 CB ARG A 26 -6.738 4.935 5.603 1.00 74.51 C ATOM 397 CG ARG A 26 -5.823 6.069 6.119 1.00 52.13 C ATOM 398 CD ARG A 26 -6.076 6.389 7.603 1.00 72.24 C ATOM 399 NE ARG A 26 -5.864 5.207 8.465 1.00 10.33 N ATOM 400 CZ ARG A 26 -6.688 4.782 9.440 1.00 11.21 C ATOM 401 NH1 ARG A 26 -7.822 5.426 9.718 1.00 74.21 N ATOM 402 NH2 ARG A 26 -6.370 3.698 10.128 1.00 14.24 N ATOM 0 H ARG A 26 -7.181 6.334 3.558 1.00 73.45 H new ATOM 0 HA ARG A 26 -5.391 4.173 4.086 1.00 65.43 H new ATOM 0 HB2 ARG A 26 -7.773 5.274 5.651 1.00 74.51 H new ATOM 0 HB3 ARG A 26 -6.650 4.083 6.277 1.00 74.51 H new ATOM 0 HG2 ARG A 26 -4.780 5.782 5.983 1.00 52.13 H new ATOM 0 HG3 ARG A 26 -5.987 6.966 5.522 1.00 52.13 H new ATOM 0 HD2 ARG A 26 -5.412 7.193 7.919 1.00 72.24 H new ATOM 0 HD3 ARG A 26 -7.097 6.751 7.728 1.00 72.24 H new ATOM 0 HE ARG A 26 -5.015 4.664 8.306 1.00 10.33 H new ATOM 0 HH11 ARG A 26 -8.079 6.258 9.187 1.00 74.21 H new ATOM 0 HH12 ARG A 26 -8.432 5.086 10.461 1.00 74.21 H new ATOM 0 HH21 ARG A 26 -5.508 3.194 9.917 1.00 14.24 H new ATOM 0 HH22 ARG A 26 -6.986 3.366 10.870 1.00 14.24 H new ATOM 416 N ALA A 27 -8.460 3.431 3.180 1.00 65.43 N ATOM 417 CA ALA A 27 -9.387 2.334 2.821 1.00 11.41 C ATOM 418 C ALA A 27 -8.685 1.291 1.929 1.00 34.14 C ATOM 419 O ALA A 27 -8.772 0.096 2.211 1.00 73.43 O ATOM 420 CB ALA A 27 -10.660 2.878 2.148 1.00 15.30 C ATOM 0 H ALA A 27 -8.775 4.353 2.878 1.00 65.43 H new ATOM 0 HA ALA A 27 -9.690 1.836 3.742 1.00 11.41 H new ATOM 0 HB1 ALA A 27 -11.321 2.049 1.896 1.00 15.30 H new ATOM 0 HB2 ALA A 27 -11.172 3.555 2.832 1.00 15.30 H new ATOM 0 HB3 ALA A 27 -10.390 3.416 1.239 1.00 15.30 H new ATOM 426 N LEU A 28 -7.953 1.766 0.887 1.00 73.42 N ATOM 427 CA LEU A 28 -7.146 0.889 -0.001 1.00 13.12 C ATOM 428 C LEU A 28 -6.069 0.131 0.793 1.00 23.42 C ATOM 429 O LEU A 28 -5.807 -1.046 0.523 1.00 20.01 O ATOM 430 CB LEU A 28 -6.486 1.687 -1.171 1.00 44.43 C ATOM 431 CG LEU A 28 -7.325 1.810 -2.477 1.00 0.12 C ATOM 432 CD1 LEU A 28 -6.603 2.680 -3.521 1.00 74.21 C ATOM 433 CD2 LEU A 28 -7.682 0.427 -3.050 1.00 43.13 C ATOM 0 H LEU A 28 -7.906 2.755 0.641 1.00 73.42 H new ATOM 0 HA LEU A 28 -7.836 0.166 -0.435 1.00 13.12 H new ATOM 0 HB2 LEU A 28 -6.257 2.691 -0.815 1.00 44.43 H new ATOM 0 HB3 LEU A 28 -5.536 1.212 -1.417 1.00 44.43 H new ATOM 0 HG LEU A 28 -8.261 2.307 -2.221 1.00 0.12 H new ATOM 0 HD11 LEU A 28 -7.212 2.748 -4.422 1.00 74.21 H new ATOM 0 HD12 LEU A 28 -6.443 3.679 -3.115 1.00 74.21 H new ATOM 0 HD13 LEU A 28 -5.641 2.230 -3.767 1.00 74.21 H new ATOM 0 HD21 LEU A 28 -8.268 0.551 -3.961 1.00 43.13 H new ATOM 0 HD22 LEU A 28 -6.767 -0.120 -3.278 1.00 43.13 H new ATOM 0 HD23 LEU A 28 -8.265 -0.131 -2.317 1.00 43.13 H new ATOM 445 N TYR A 29 -5.461 0.829 1.764 1.00 31.51 N ATOM 446 CA TYR A 29 -4.440 0.258 2.652 1.00 64.23 C ATOM 447 C TYR A 29 -5.014 -0.942 3.442 1.00 35.54 C ATOM 448 O TYR A 29 -4.356 -1.974 3.558 1.00 15.03 O ATOM 449 CB TYR A 29 -3.900 1.361 3.600 1.00 24.11 C ATOM 450 CG TYR A 29 -2.761 0.916 4.523 1.00 12.54 C ATOM 451 CD1 TYR A 29 -1.528 0.552 3.995 1.00 43.22 C ATOM 452 CD2 TYR A 29 -2.912 0.860 5.915 1.00 13.44 C ATOM 453 CE1 TYR A 29 -0.491 0.148 4.807 1.00 55.41 C ATOM 454 CE2 TYR A 29 -1.868 0.460 6.732 1.00 52.31 C ATOM 455 CZ TYR A 29 -0.661 0.104 6.168 1.00 72.32 C ATOM 456 OH TYR A 29 0.387 -0.294 6.973 1.00 10.14 O ATOM 0 H TYR A 29 -5.665 1.810 1.955 1.00 31.51 H new ATOM 0 HA TYR A 29 -3.609 -0.117 2.054 1.00 64.23 H new ATOM 0 HB2 TYR A 29 -3.553 2.200 2.997 1.00 24.11 H new ATOM 0 HB3 TYR A 29 -4.723 1.728 4.213 1.00 24.11 H new ATOM 0 HD1 TYR A 29 -1.380 0.587 2.926 1.00 43.22 H new ATOM 0 HD2 TYR A 29 -3.858 1.133 6.358 1.00 13.44 H new ATOM 0 HE1 TYR A 29 0.456 -0.134 4.372 1.00 55.41 H new ATOM 0 HE2 TYR A 29 -1.998 0.427 7.804 1.00 52.31 H new ATOM 0 HH TYR A 29 1.230 0.044 6.604 1.00 10.14 H new ATOM 466 N ASN A 30 -6.275 -0.807 3.918 1.00 22.31 N ATOM 467 CA ASN A 30 -6.978 -1.882 4.663 1.00 51.12 C ATOM 468 C ASN A 30 -7.291 -3.093 3.759 1.00 62.14 C ATOM 469 O ASN A 30 -7.235 -4.235 4.226 1.00 14.22 O ATOM 470 CB ASN A 30 -8.285 -1.364 5.328 1.00 74.40 C ATOM 471 CG ASN A 30 -8.024 -0.442 6.526 1.00 71.43 C ATOM 472 OD1 ASN A 30 -7.784 -0.910 7.636 1.00 73.05 O ATOM 473 ND2 ASN A 30 -8.101 0.860 6.331 1.00 1.35 N ATOM 0 H ASN A 30 -6.830 0.041 3.799 1.00 22.31 H new ATOM 0 HA ASN A 30 -6.298 -2.207 5.451 1.00 51.12 H new ATOM 0 HB2 ASN A 30 -8.876 -0.827 4.586 1.00 74.40 H new ATOM 0 HB3 ASN A 30 -8.882 -2.215 5.655 1.00 74.40 H new ATOM 0 HD21 ASN A 30 -7.960 1.502 7.111 1.00 1.35 H new ATOM 0 HD22 ASN A 30 -8.301 1.225 5.400 1.00 1.35 H new ATOM 480 N ILE A 31 -7.600 -2.834 2.469 1.00 53.13 N ATOM 481 CA ILE A 31 -7.894 -3.895 1.475 1.00 72.02 C ATOM 482 C ILE A 31 -6.620 -4.716 1.198 1.00 41.51 C ATOM 483 O ILE A 31 -6.664 -5.951 1.042 1.00 40.13 O ATOM 484 CB ILE A 31 -8.434 -3.278 0.129 1.00 41.25 C ATOM 485 CG1 ILE A 31 -9.630 -2.321 0.399 1.00 24.32 C ATOM 486 CG2 ILE A 31 -8.839 -4.383 -0.867 1.00 63.30 C ATOM 487 CD1 ILE A 31 -10.054 -1.467 -0.783 1.00 64.12 C ATOM 0 H ILE A 31 -7.653 -1.890 2.087 1.00 53.13 H new ATOM 0 HA ILE A 31 -8.666 -4.545 1.887 1.00 72.02 H new ATOM 0 HB ILE A 31 -7.626 -2.700 -0.319 1.00 41.25 H new ATOM 0 HG12 ILE A 31 -10.484 -2.915 0.722 1.00 24.32 H new ATOM 0 HG13 ILE A 31 -9.368 -1.663 1.227 1.00 24.32 H new ATOM 0 HG21 ILE A 31 -9.208 -3.927 -1.786 1.00 63.30 H new ATOM 0 HG22 ILE A 31 -7.973 -5.005 -1.092 1.00 63.30 H new ATOM 0 HG23 ILE A 31 -9.623 -4.999 -0.428 1.00 63.30 H new ATOM 0 HD11 ILE A 31 -10.894 -0.836 -0.493 1.00 64.12 H new ATOM 0 HD12 ILE A 31 -9.220 -0.840 -1.097 1.00 64.12 H new ATOM 0 HD13 ILE A 31 -10.353 -2.112 -1.609 1.00 64.12 H new ATOM 499 N GLY A 32 -5.481 -3.995 1.154 1.00 45.24 N ATOM 500 CA GLY A 32 -4.168 -4.604 1.017 1.00 51.11 C ATOM 501 C GLY A 32 -3.834 -5.497 2.198 1.00 52.33 C ATOM 502 O GLY A 32 -3.413 -6.634 2.010 1.00 50.20 O ATOM 0 H GLY A 32 -5.459 -2.977 1.213 1.00 45.24 H new ATOM 0 HA2 GLY A 32 -4.133 -5.189 0.098 1.00 51.11 H new ATOM 0 HA3 GLY A 32 -3.413 -3.823 0.927 1.00 51.11 H new ATOM 506 N LEU A 33 -4.074 -4.973 3.420 1.00 23.02 N ATOM 507 CA LEU A 33 -3.825 -5.696 4.684 1.00 71.31 C ATOM 508 C LEU A 33 -4.607 -7.026 4.741 1.00 20.45 C ATOM 509 O LEU A 33 -4.094 -8.024 5.250 1.00 75.12 O ATOM 510 CB LEU A 33 -4.192 -4.795 5.899 1.00 62.25 C ATOM 511 CG LEU A 33 -3.296 -3.536 6.114 1.00 4.14 C ATOM 512 CD1 LEU A 33 -3.893 -2.596 7.181 1.00 3.51 C ATOM 513 CD2 LEU A 33 -1.844 -3.928 6.461 1.00 74.22 C ATOM 0 H LEU A 33 -4.447 -4.034 3.557 1.00 23.02 H new ATOM 0 HA LEU A 33 -2.763 -5.937 4.728 1.00 71.31 H new ATOM 0 HB2 LEU A 33 -5.225 -4.466 5.783 1.00 62.25 H new ATOM 0 HB3 LEU A 33 -4.151 -5.404 6.802 1.00 62.25 H new ATOM 0 HG LEU A 33 -3.271 -2.990 5.171 1.00 4.14 H new ATOM 0 HD11 LEU A 33 -3.244 -1.729 7.306 1.00 3.51 H new ATOM 0 HD12 LEU A 33 -4.882 -2.266 6.863 1.00 3.51 H new ATOM 0 HD13 LEU A 33 -3.975 -3.128 8.129 1.00 3.51 H new ATOM 0 HD21 LEU A 33 -1.248 -3.027 6.604 1.00 74.22 H new ATOM 0 HD22 LEU A 33 -1.836 -4.518 7.378 1.00 74.22 H new ATOM 0 HD23 LEU A 33 -1.422 -4.517 5.647 1.00 74.22 H new ATOM 525 N GLU A 34 -5.830 -7.021 4.180 1.00 14.53 N ATOM 526 CA GLU A 34 -6.708 -8.206 4.122 1.00 23.13 C ATOM 527 C GLU A 34 -6.078 -9.344 3.300 1.00 53.51 C ATOM 528 O GLU A 34 -5.987 -10.488 3.777 1.00 31.31 O ATOM 529 CB GLU A 34 -8.084 -7.815 3.526 1.00 70.12 C ATOM 530 CG GLU A 34 -8.973 -6.972 4.454 1.00 24.44 C ATOM 531 CD GLU A 34 -9.281 -7.686 5.777 1.00 70.41 C ATOM 532 OE1 GLU A 34 -10.004 -8.703 5.752 1.00 40.32 O ATOM 533 OE2 GLU A 34 -8.783 -7.260 6.842 1.00 70.03 O ATOM 0 H GLU A 34 -6.240 -6.191 3.752 1.00 14.53 H new ATOM 0 HA GLU A 34 -6.843 -8.571 5.140 1.00 23.13 H new ATOM 0 HB2 GLU A 34 -7.920 -7.261 2.602 1.00 70.12 H new ATOM 0 HB3 GLU A 34 -8.621 -8.726 3.260 1.00 70.12 H new ATOM 0 HG2 GLU A 34 -8.479 -6.023 4.663 1.00 24.44 H new ATOM 0 HG3 GLU A 34 -9.908 -6.739 3.944 1.00 24.44 H new ATOM 540 N LYS A 35 -5.642 -9.020 2.072 1.00 14.51 N ATOM 541 CA LYS A 35 -5.052 -10.003 1.151 1.00 41.22 C ATOM 542 C LYS A 35 -3.653 -10.447 1.616 1.00 33.13 C ATOM 543 O LYS A 35 -3.321 -11.629 1.524 1.00 64.13 O ATOM 544 CB LYS A 35 -5.032 -9.456 -0.296 1.00 21.54 C ATOM 545 CG LYS A 35 -6.444 -9.304 -0.905 1.00 74.24 C ATOM 546 CD LYS A 35 -6.425 -9.126 -2.430 1.00 62.32 C ATOM 547 CE LYS A 35 -7.825 -9.025 -3.048 1.00 51.31 C ATOM 548 NZ LYS A 35 -7.771 -8.861 -4.529 1.00 70.34 N ATOM 0 H LYS A 35 -5.688 -8.075 1.692 1.00 14.51 H new ATOM 0 HA LYS A 35 -5.683 -10.892 1.160 1.00 41.22 H new ATOM 0 HB2 LYS A 35 -4.532 -8.487 -0.305 1.00 21.54 H new ATOM 0 HB3 LYS A 35 -4.442 -10.125 -0.923 1.00 21.54 H new ATOM 0 HG2 LYS A 35 -7.038 -10.183 -0.655 1.00 74.24 H new ATOM 0 HG3 LYS A 35 -6.939 -8.445 -0.451 1.00 74.24 H new ATOM 0 HD2 LYS A 35 -5.861 -8.226 -2.677 1.00 62.32 H new ATOM 0 HD3 LYS A 35 -5.897 -9.967 -2.880 1.00 62.32 H new ATOM 0 HE2 LYS A 35 -8.395 -9.921 -2.803 1.00 51.31 H new ATOM 0 HE3 LYS A 35 -8.355 -8.180 -2.609 1.00 51.31 H new ATOM 0 HZ1 LYS A 35 -8.601 -9.317 -4.959 1.00 70.34 H new ATOM 0 HZ2 LYS A 35 -7.770 -7.848 -4.766 1.00 70.34 H new ATOM 0 HZ3 LYS A 35 -6.904 -9.303 -4.896 1.00 70.34 H new ATOM 562 N ASN A 36 -2.877 -9.497 2.163 1.00 4.20 N ATOM 563 CA ASN A 36 -1.509 -9.742 2.684 1.00 11.13 C ATOM 564 C ASN A 36 -1.550 -10.777 3.829 1.00 73.33 C ATOM 565 O ASN A 36 -0.720 -11.684 3.903 1.00 34.31 O ATOM 566 CB ASN A 36 -0.895 -8.405 3.193 1.00 31.02 C ATOM 567 CG ASN A 36 0.595 -8.485 3.534 1.00 45.20 C ATOM 568 OD1 ASN A 36 1.352 -9.237 2.913 1.00 33.21 O ATOM 569 ND2 ASN A 36 1.024 -7.707 4.522 1.00 34.43 N ATOM 0 H ASN A 36 -3.178 -8.527 2.260 1.00 4.20 H new ATOM 0 HA ASN A 36 -0.888 -10.138 1.880 1.00 11.13 H new ATOM 0 HB2 ASN A 36 -1.041 -7.639 2.432 1.00 31.02 H new ATOM 0 HB3 ASN A 36 -1.442 -8.082 4.079 1.00 31.02 H new ATOM 0 HD21 ASN A 36 2.008 -7.719 4.790 1.00 34.43 H new ATOM 0 HD22 ASN A 36 0.369 -7.098 5.013 1.00 34.43 H new ATOM 576 N LYS A 37 -2.572 -10.615 4.682 1.00 23.41 N ATOM 577 CA LYS A 37 -2.860 -11.481 5.843 1.00 55.13 C ATOM 578 C LYS A 37 -3.305 -12.897 5.392 1.00 40.02 C ATOM 579 O LYS A 37 -3.058 -13.886 6.090 1.00 52.23 O ATOM 580 CB LYS A 37 -3.945 -10.765 6.695 1.00 32.43 C ATOM 581 CG LYS A 37 -4.508 -11.535 7.904 1.00 51.55 C ATOM 582 CD LYS A 37 -5.516 -10.675 8.714 1.00 1.42 C ATOM 583 CE LYS A 37 -6.334 -11.497 9.713 1.00 32.41 C ATOM 584 NZ LYS A 37 -7.182 -12.500 9.019 1.00 71.45 N ATOM 0 H LYS A 37 -3.244 -9.854 4.583 1.00 23.41 H new ATOM 0 HA LYS A 37 -1.963 -11.633 6.443 1.00 55.13 H new ATOM 0 HB2 LYS A 37 -3.526 -9.826 7.057 1.00 32.43 H new ATOM 0 HB3 LYS A 37 -4.777 -10.510 6.039 1.00 32.43 H new ATOM 0 HG2 LYS A 37 -5.000 -12.444 7.559 1.00 51.55 H new ATOM 0 HG3 LYS A 37 -3.688 -11.843 8.553 1.00 51.55 H new ATOM 0 HD2 LYS A 37 -4.973 -9.897 9.250 1.00 1.42 H new ATOM 0 HD3 LYS A 37 -6.194 -10.173 8.024 1.00 1.42 H new ATOM 0 HE2 LYS A 37 -5.663 -12.003 10.407 1.00 32.41 H new ATOM 0 HE3 LYS A 37 -6.963 -10.833 10.305 1.00 32.41 H new ATOM 0 HZ1 LYS A 37 -7.922 -12.837 9.667 1.00 71.45 H new ATOM 0 HZ2 LYS A 37 -7.624 -12.063 8.185 1.00 71.45 H new ATOM 0 HZ3 LYS A 37 -6.594 -13.303 8.718 1.00 71.45 H new ATOM 598 N MET A 38 -3.944 -12.975 4.204 1.00 51.21 N ATOM 599 CA MET A 38 -4.338 -14.263 3.569 1.00 44.21 C ATOM 600 C MET A 38 -3.195 -14.851 2.702 1.00 25.40 C ATOM 601 O MET A 38 -3.362 -15.910 2.084 1.00 21.40 O ATOM 602 CB MET A 38 -5.625 -14.077 2.716 1.00 12.31 C ATOM 603 CG MET A 38 -6.881 -13.726 3.529 1.00 51.40 C ATOM 604 SD MET A 38 -8.387 -13.685 2.522 1.00 53.45 S ATOM 605 CE MET A 38 -8.014 -12.412 1.315 1.00 14.21 C ATOM 0 H MET A 38 -4.202 -12.154 3.656 1.00 51.21 H new ATOM 0 HA MET A 38 -4.543 -14.974 4.369 1.00 44.21 H new ATOM 0 HB2 MET A 38 -5.450 -13.289 1.983 1.00 12.31 H new ATOM 0 HB3 MET A 38 -5.813 -14.995 2.159 1.00 12.31 H new ATOM 0 HG2 MET A 38 -7.005 -14.456 4.329 1.00 51.40 H new ATOM 0 HG3 MET A 38 -6.741 -12.754 4.003 1.00 51.40 H new ATOM 0 HE1 MET A 38 -8.854 -12.305 0.628 1.00 14.21 H new ATOM 0 HE2 MET A 38 -7.840 -11.465 1.827 1.00 14.21 H new ATOM 0 HE3 MET A 38 -7.121 -12.691 0.756 1.00 14.21 H new ATOM 615 N GLY A 39 -2.038 -14.151 2.660 1.00 44.43 N ATOM 616 CA GLY A 39 -0.852 -14.604 1.914 1.00 43.45 C ATOM 617 C GLY A 39 -0.780 -14.068 0.486 1.00 63.21 C ATOM 618 O GLY A 39 0.241 -14.243 -0.192 1.00 63.51 O ATOM 0 H GLY A 39 -1.905 -13.261 3.141 1.00 44.43 H new ATOM 0 HA2 GLY A 39 0.044 -14.296 2.453 1.00 43.45 H new ATOM 0 HA3 GLY A 39 -0.848 -15.694 1.884 1.00 43.45 H new ATOM 622 N LYS A 40 -1.871 -13.431 0.024 1.00 34.32 N ATOM 623 CA LYS A 40 -1.965 -12.784 -1.302 1.00 11.22 C ATOM 624 C LYS A 40 -1.249 -11.414 -1.266 1.00 12.33 C ATOM 625 O LYS A 40 -1.876 -10.357 -1.414 1.00 60.45 O ATOM 626 CB LYS A 40 -3.456 -12.608 -1.682 1.00 43.32 C ATOM 627 CG LYS A 40 -4.277 -13.909 -1.709 1.00 20.10 C ATOM 628 CD LYS A 40 -5.787 -13.645 -1.912 1.00 25.22 C ATOM 629 CE LYS A 40 -6.585 -14.932 -2.153 1.00 14.33 C ATOM 630 NZ LYS A 40 -6.145 -15.636 -3.383 1.00 51.25 N ATOM 0 H LYS A 40 -2.729 -13.349 0.570 1.00 34.32 H new ATOM 0 HA LYS A 40 -1.480 -13.409 -2.052 1.00 11.22 H new ATOM 0 HB2 LYS A 40 -3.917 -11.919 -0.974 1.00 43.32 H new ATOM 0 HB3 LYS A 40 -3.512 -12.140 -2.665 1.00 43.32 H new ATOM 0 HG2 LYS A 40 -3.911 -14.550 -2.511 1.00 20.10 H new ATOM 0 HG3 LYS A 40 -4.127 -14.450 -0.775 1.00 20.10 H new ATOM 0 HD2 LYS A 40 -6.184 -13.135 -1.034 1.00 25.22 H new ATOM 0 HD3 LYS A 40 -5.924 -12.973 -2.760 1.00 25.22 H new ATOM 0 HE2 LYS A 40 -6.471 -15.595 -1.295 1.00 14.33 H new ATOM 0 HE3 LYS A 40 -7.645 -14.692 -2.232 1.00 14.33 H new ATOM 0 HZ1 LYS A 40 -6.865 -16.334 -3.660 1.00 51.25 H new ATOM 0 HZ2 LYS A 40 -6.018 -14.946 -4.151 1.00 51.25 H new ATOM 0 HZ3 LYS A 40 -5.244 -16.122 -3.201 1.00 51.25 H new ATOM 644 N ALA A 41 0.069 -11.459 -1.059 1.00 41.12 N ATOM 645 CA ALA A 41 0.891 -10.273 -0.796 1.00 65.54 C ATOM 646 C ALA A 41 1.242 -9.506 -2.083 1.00 24.22 C ATOM 647 O ALA A 41 1.594 -8.325 -2.021 1.00 2.44 O ATOM 648 CB ALA A 41 2.136 -10.695 -0.022 1.00 3.22 C ATOM 0 H ALA A 41 0.602 -12.328 -1.069 1.00 41.12 H new ATOM 0 HA ALA A 41 0.314 -9.574 -0.190 1.00 65.54 H new ATOM 0 HB1 ALA A 41 2.754 -9.820 0.178 1.00 3.22 H new ATOM 0 HB2 ALA A 41 1.840 -11.154 0.921 1.00 3.22 H new ATOM 0 HB3 ALA A 41 2.705 -11.413 -0.612 1.00 3.22 H new ATOM 654 N ARG A 42 1.145 -10.182 -3.252 1.00 12.24 N ATOM 655 CA ARG A 42 1.297 -9.529 -4.574 1.00 4.23 C ATOM 656 C ARG A 42 0.088 -8.615 -4.816 1.00 44.42 C ATOM 657 O ARG A 42 0.235 -7.454 -5.219 1.00 0.11 O ATOM 658 CB ARG A 42 1.458 -10.597 -5.710 1.00 30.21 C ATOM 659 CG ARG A 42 1.947 -10.040 -7.090 1.00 2.45 C ATOM 660 CD ARG A 42 0.851 -9.362 -7.939 1.00 60.35 C ATOM 661 NE ARG A 42 1.376 -8.630 -9.103 1.00 34.41 N ATOM 662 CZ ARG A 42 0.617 -7.923 -9.956 1.00 14.23 C ATOM 663 NH1 ARG A 42 -0.699 -7.845 -9.795 1.00 21.43 N ATOM 664 NH2 ARG A 42 1.167 -7.270 -10.968 1.00 15.10 N ATOM 0 H ARG A 42 0.961 -11.184 -3.306 1.00 12.24 H new ATOM 0 HA ARG A 42 2.203 -8.923 -4.585 1.00 4.23 H new ATOM 0 HB2 ARG A 42 2.163 -11.357 -5.374 1.00 30.21 H new ATOM 0 HB3 ARG A 42 0.499 -11.094 -5.857 1.00 30.21 H new ATOM 0 HG2 ARG A 42 2.747 -9.321 -6.913 1.00 2.45 H new ATOM 0 HG3 ARG A 42 2.377 -10.860 -7.665 1.00 2.45 H new ATOM 0 HD2 ARG A 42 0.149 -10.121 -8.284 1.00 60.35 H new ATOM 0 HD3 ARG A 42 0.290 -8.672 -7.309 1.00 60.35 H new ATOM 0 HE ARG A 42 2.381 -8.662 -9.273 1.00 34.41 H new ATOM 0 HH11 ARG A 42 -1.147 -8.326 -9.015 1.00 21.43 H new ATOM 0 HH12 ARG A 42 -1.262 -7.304 -10.451 1.00 21.43 H new ATOM 0 HH21 ARG A 42 2.177 -7.301 -11.106 1.00 15.10 H new ATOM 0 HH22 ARG A 42 0.581 -6.736 -11.610 1.00 15.10 H new ATOM 678 N GLU A 43 -1.098 -9.175 -4.537 1.00 22.32 N ATOM 679 CA GLU A 43 -2.380 -8.473 -4.667 1.00 74.05 C ATOM 680 C GLU A 43 -2.460 -7.308 -3.675 1.00 13.45 C ATOM 681 O GLU A 43 -2.901 -6.212 -4.024 1.00 13.42 O ATOM 682 CB GLU A 43 -3.540 -9.465 -4.459 1.00 12.22 C ATOM 683 CG GLU A 43 -3.581 -10.606 -5.495 1.00 3.05 C ATOM 684 CD GLU A 43 -4.772 -11.555 -5.302 1.00 51.04 C ATOM 685 OE1 GLU A 43 -5.935 -11.102 -5.459 1.00 4.30 O ATOM 686 OE2 GLU A 43 -4.561 -12.750 -5.002 1.00 1.01 O ATOM 0 H GLU A 43 -1.193 -10.137 -4.212 1.00 22.32 H new ATOM 0 HA GLU A 43 -2.459 -8.056 -5.671 1.00 74.05 H new ATOM 0 HB2 GLU A 43 -3.461 -9.896 -3.461 1.00 12.22 H new ATOM 0 HB3 GLU A 43 -4.483 -8.919 -4.497 1.00 12.22 H new ATOM 0 HG2 GLU A 43 -3.625 -10.178 -6.496 1.00 3.05 H new ATOM 0 HG3 GLU A 43 -2.655 -11.178 -5.433 1.00 3.05 H new ATOM 693 N ALA A 44 -1.979 -7.575 -2.451 1.00 1.00 N ATOM 694 CA ALA A 44 -1.878 -6.591 -1.367 1.00 15.14 C ATOM 695 C ALA A 44 -1.018 -5.393 -1.775 1.00 21.32 C ATOM 696 O ALA A 44 -1.387 -4.242 -1.524 1.00 43.20 O ATOM 697 CB ALA A 44 -1.271 -7.261 -0.142 1.00 72.23 C ATOM 0 H ALA A 44 -1.643 -8.500 -2.184 1.00 1.00 H new ATOM 0 HA ALA A 44 -2.879 -6.223 -1.142 1.00 15.14 H new ATOM 0 HB1 ALA A 44 -1.193 -6.536 0.668 1.00 72.23 H new ATOM 0 HB2 ALA A 44 -1.907 -8.089 0.172 1.00 72.23 H new ATOM 0 HB3 ALA A 44 -0.279 -7.639 -0.388 1.00 72.23 H new ATOM 703 N ALA A 45 0.124 -5.708 -2.418 1.00 10.22 N ATOM 704 CA ALA A 45 1.118 -4.723 -2.873 1.00 24.43 C ATOM 705 C ALA A 45 0.501 -3.681 -3.832 1.00 55.21 C ATOM 706 O ALA A 45 0.906 -2.515 -3.827 1.00 65.03 O ATOM 707 CB ALA A 45 2.289 -5.454 -3.547 1.00 40.41 C ATOM 0 H ALA A 45 0.383 -6.670 -2.638 1.00 10.22 H new ATOM 0 HA ALA A 45 1.481 -4.177 -2.002 1.00 24.43 H new ATOM 0 HB1 ALA A 45 3.026 -4.726 -3.885 1.00 40.41 H new ATOM 0 HB2 ALA A 45 2.752 -6.135 -2.833 1.00 40.41 H new ATOM 0 HB3 ALA A 45 1.920 -6.021 -4.402 1.00 40.41 H new ATOM 713 N GLU A 46 -0.484 -4.130 -4.643 1.00 15.20 N ATOM 714 CA GLU A 46 -1.240 -3.269 -5.585 1.00 44.01 C ATOM 715 C GLU A 46 -2.037 -2.194 -4.821 1.00 1.00 C ATOM 716 O GLU A 46 -1.994 -1.010 -5.163 1.00 54.42 O ATOM 717 CB GLU A 46 -2.212 -4.125 -6.436 1.00 45.11 C ATOM 718 CG GLU A 46 -1.555 -5.245 -7.270 1.00 70.45 C ATOM 719 CD GLU A 46 -2.588 -6.117 -8.013 1.00 50.34 C ATOM 720 OE1 GLU A 46 -3.353 -5.570 -8.836 1.00 52.24 O ATOM 721 OE2 GLU A 46 -2.649 -7.349 -7.787 1.00 55.13 O ATOM 0 H GLU A 46 -0.779 -5.106 -4.663 1.00 15.20 H new ATOM 0 HA GLU A 46 -0.523 -2.777 -6.242 1.00 44.01 H new ATOM 0 HB2 GLU A 46 -2.949 -4.576 -5.771 1.00 45.11 H new ATOM 0 HB3 GLU A 46 -2.755 -3.464 -7.111 1.00 45.11 H new ATOM 0 HG2 GLU A 46 -0.873 -4.800 -7.994 1.00 70.45 H new ATOM 0 HG3 GLU A 46 -0.956 -5.877 -6.614 1.00 70.45 H new ATOM 728 N TYR A 47 -2.749 -2.638 -3.766 1.00 63.45 N ATOM 729 CA TYR A 47 -3.607 -1.766 -2.935 1.00 70.04 C ATOM 730 C TYR A 47 -2.771 -0.800 -2.093 1.00 64.33 C ATOM 731 O TYR A 47 -3.178 0.342 -1.880 1.00 63.21 O ATOM 732 CB TYR A 47 -4.510 -2.610 -2.013 1.00 14.14 C ATOM 733 CG TYR A 47 -5.488 -3.513 -2.761 1.00 33.21 C ATOM 734 CD1 TYR A 47 -6.602 -2.981 -3.398 1.00 71.10 C ATOM 735 CD2 TYR A 47 -5.296 -4.889 -2.832 1.00 53.10 C ATOM 736 CE1 TYR A 47 -7.487 -3.784 -4.075 1.00 64.55 C ATOM 737 CE2 TYR A 47 -6.179 -5.695 -3.513 1.00 10.44 C ATOM 738 CZ TYR A 47 -7.271 -5.144 -4.131 1.00 1.34 C ATOM 739 OH TYR A 47 -8.142 -5.950 -4.827 1.00 25.43 O ATOM 0 H TYR A 47 -2.746 -3.612 -3.465 1.00 63.45 H new ATOM 0 HA TYR A 47 -4.231 -1.182 -3.612 1.00 70.04 H new ATOM 0 HB2 TYR A 47 -3.881 -3.226 -1.370 1.00 14.14 H new ATOM 0 HB3 TYR A 47 -5.073 -1.942 -1.362 1.00 14.14 H new ATOM 0 HD1 TYR A 47 -6.775 -1.916 -3.360 1.00 71.10 H new ATOM 0 HD2 TYR A 47 -4.440 -5.332 -2.345 1.00 53.10 H new ATOM 0 HE1 TYR A 47 -8.349 -3.351 -4.562 1.00 64.55 H new ATOM 0 HE2 TYR A 47 -6.012 -6.761 -3.560 1.00 10.44 H new ATOM 0 HH TYR A 47 -8.533 -5.444 -5.570 1.00 25.43 H new ATOM 749 N PHE A 48 -1.611 -1.284 -1.615 1.00 71.53 N ATOM 750 CA PHE A 48 -0.654 -0.468 -0.841 1.00 73.25 C ATOM 751 C PHE A 48 -0.035 0.627 -1.722 1.00 64.32 C ATOM 752 O PHE A 48 0.258 1.720 -1.238 1.00 43.04 O ATOM 753 CB PHE A 48 0.479 -1.347 -0.236 1.00 44.54 C ATOM 754 CG PHE A 48 0.050 -2.352 0.834 1.00 13.22 C ATOM 755 CD1 PHE A 48 -0.912 -2.020 1.780 1.00 54.10 C ATOM 756 CD2 PHE A 48 0.638 -3.620 0.912 1.00 51.42 C ATOM 757 CE1 PHE A 48 -1.278 -2.914 2.764 1.00 34.12 C ATOM 758 CE2 PHE A 48 0.267 -4.516 1.894 1.00 62.14 C ATOM 759 CZ PHE A 48 -0.690 -4.163 2.818 1.00 73.23 C ATOM 0 H PHE A 48 -1.310 -2.249 -1.753 1.00 71.53 H new ATOM 0 HA PHE A 48 -1.209 -0.003 -0.026 1.00 73.25 H new ATOM 0 HB2 PHE A 48 0.960 -1.893 -1.047 1.00 44.54 H new ATOM 0 HB3 PHE A 48 1.232 -0.687 0.195 1.00 44.54 H new ATOM 0 HD1 PHE A 48 -1.380 -1.047 1.744 1.00 54.10 H new ATOM 0 HD2 PHE A 48 1.393 -3.901 0.193 1.00 51.42 H new ATOM 0 HE1 PHE A 48 -2.025 -2.638 3.493 1.00 34.12 H new ATOM 0 HE2 PHE A 48 0.727 -5.492 1.937 1.00 62.14 H new ATOM 0 HZ PHE A 48 -0.982 -4.863 3.586 1.00 73.23 H new ATOM 769 N PHE A 49 0.164 0.304 -3.017 1.00 23.11 N ATOM 770 CA PHE A 49 0.745 1.234 -4.000 1.00 51.33 C ATOM 771 C PHE A 49 -0.222 2.365 -4.327 1.00 71.13 C ATOM 772 O PHE A 49 0.146 3.542 -4.272 1.00 51.44 O ATOM 773 CB PHE A 49 1.143 0.496 -5.306 1.00 12.44 C ATOM 774 CG PHE A 49 1.799 1.409 -6.344 1.00 11.54 C ATOM 775 CD1 PHE A 49 2.852 2.239 -5.973 1.00 65.41 C ATOM 776 CD2 PHE A 49 1.369 1.453 -7.673 1.00 5.30 C ATOM 777 CE1 PHE A 49 3.449 3.070 -6.884 1.00 72.44 C ATOM 778 CE2 PHE A 49 1.980 2.293 -8.587 1.00 74.22 C ATOM 779 CZ PHE A 49 3.022 3.105 -8.189 1.00 2.40 C ATOM 0 H PHE A 49 -0.074 -0.608 -3.407 1.00 23.11 H new ATOM 0 HA PHE A 49 1.642 1.657 -3.549 1.00 51.33 H new ATOM 0 HB2 PHE A 49 1.829 -0.315 -5.062 1.00 12.44 H new ATOM 0 HB3 PHE A 49 0.254 0.041 -5.743 1.00 12.44 H new ATOM 0 HD1 PHE A 49 3.204 2.228 -4.952 1.00 65.41 H new ATOM 0 HD2 PHE A 49 0.550 0.824 -7.990 1.00 5.30 H new ATOM 0 HE1 PHE A 49 4.265 3.705 -6.572 1.00 72.44 H new ATOM 0 HE2 PHE A 49 1.641 2.313 -9.612 1.00 74.22 H new ATOM 0 HZ PHE A 49 3.499 3.764 -8.899 1.00 2.40 H new ATOM 789 N ARG A 50 -1.450 1.980 -4.687 1.00 32.14 N ATOM 790 CA ARG A 50 -2.515 2.924 -5.034 1.00 41.33 C ATOM 791 C ARG A 50 -2.860 3.811 -3.824 1.00 65.43 C ATOM 792 O ARG A 50 -3.096 5.010 -3.981 1.00 55.32 O ATOM 793 CB ARG A 50 -3.760 2.154 -5.515 1.00 73.24 C ATOM 794 CG ARG A 50 -3.575 1.344 -6.815 1.00 70.23 C ATOM 795 CD ARG A 50 -4.828 0.520 -7.152 1.00 42.33 C ATOM 796 NE ARG A 50 -4.745 -0.145 -8.461 1.00 24.11 N ATOM 797 CZ ARG A 50 -5.704 -0.932 -8.979 1.00 52.41 C ATOM 798 NH1 ARG A 50 -6.828 -1.171 -8.298 1.00 32.12 N ATOM 799 NH2 ARG A 50 -5.543 -1.462 -10.187 1.00 53.41 N ATOM 0 H ARG A 50 -1.734 1.002 -4.746 1.00 32.14 H new ATOM 0 HA ARG A 50 -2.168 3.569 -5.841 1.00 41.33 H new ATOM 0 HB2 ARG A 50 -4.073 1.473 -4.724 1.00 73.24 H new ATOM 0 HB3 ARG A 50 -4.572 2.866 -5.663 1.00 73.24 H new ATOM 0 HG2 ARG A 50 -3.353 2.023 -7.639 1.00 70.23 H new ATOM 0 HG3 ARG A 50 -2.718 0.678 -6.711 1.00 70.23 H new ATOM 0 HD2 ARG A 50 -4.980 -0.232 -6.378 1.00 42.33 H new ATOM 0 HD3 ARG A 50 -5.700 1.173 -7.138 1.00 42.33 H new ATOM 0 HE ARG A 50 -3.901 0.001 -9.015 1.00 24.11 H new ATOM 0 HH11 ARG A 50 -6.964 -0.755 -7.377 1.00 32.12 H new ATOM 0 HH12 ARG A 50 -7.550 -1.769 -8.699 1.00 32.12 H new ATOM 0 HH21 ARG A 50 -4.694 -1.271 -10.719 1.00 53.41 H new ATOM 0 HH22 ARG A 50 -6.269 -2.060 -10.583 1.00 53.41 H new ATOM 813 N ALA A 51 -2.846 3.198 -2.617 1.00 71.33 N ATOM 814 CA ALA A 51 -3.009 3.915 -1.342 1.00 75.14 C ATOM 815 C ALA A 51 -1.890 4.951 -1.175 1.00 65.10 C ATOM 816 O ALA A 51 -2.161 6.101 -0.845 1.00 51.31 O ATOM 817 CB ALA A 51 -3.011 2.931 -0.159 1.00 41.11 C ATOM 0 H ALA A 51 -2.721 2.192 -2.506 1.00 71.33 H new ATOM 0 HA ALA A 51 -3.969 4.431 -1.355 1.00 75.14 H new ATOM 0 HB1 ALA A 51 -3.133 3.483 0.773 1.00 41.11 H new ATOM 0 HB2 ALA A 51 -3.834 2.226 -0.273 1.00 41.11 H new ATOM 0 HB3 ALA A 51 -2.067 2.386 -0.137 1.00 41.11 H new ATOM 823 N ALA A 52 -0.637 4.523 -1.468 1.00 21.22 N ATOM 824 CA ALA A 52 0.571 5.366 -1.335 1.00 34.03 C ATOM 825 C ALA A 52 0.527 6.592 -2.270 1.00 13.22 C ATOM 826 O ALA A 52 0.996 7.663 -1.900 1.00 24.45 O ATOM 827 CB ALA A 52 1.834 4.531 -1.596 1.00 34.13 C ATOM 0 H ALA A 52 -0.438 3.581 -1.804 1.00 21.22 H new ATOM 0 HA ALA A 52 0.598 5.742 -0.312 1.00 34.03 H new ATOM 0 HB1 ALA A 52 2.716 5.164 -1.495 1.00 34.13 H new ATOM 0 HB2 ALA A 52 1.887 3.716 -0.874 1.00 34.13 H new ATOM 0 HB3 ALA A 52 1.796 4.120 -2.605 1.00 34.13 H new ATOM 833 N ILE A 53 -0.044 6.411 -3.484 1.00 14.32 N ATOM 834 CA ILE A 53 -0.276 7.509 -4.460 1.00 52.11 C ATOM 835 C ILE A 53 -1.208 8.581 -3.844 1.00 3.13 C ATOM 836 O ILE A 53 -0.972 9.791 -3.974 1.00 15.53 O ATOM 837 CB ILE A 53 -0.911 6.952 -5.807 1.00 71.22 C ATOM 838 CG1 ILE A 53 0.070 5.959 -6.519 1.00 24.11 C ATOM 839 CG2 ILE A 53 -1.327 8.103 -6.766 1.00 43.52 C ATOM 840 CD1 ILE A 53 -0.517 5.203 -7.704 1.00 51.12 C ATOM 0 H ILE A 53 -0.358 5.500 -3.817 1.00 14.32 H new ATOM 0 HA ILE A 53 0.688 7.961 -4.696 1.00 52.11 H new ATOM 0 HB ILE A 53 -1.816 6.406 -5.540 1.00 71.22 H new ATOM 0 HG12 ILE A 53 0.942 6.517 -6.861 1.00 24.11 H new ATOM 0 HG13 ILE A 53 0.423 5.234 -5.785 1.00 24.11 H new ATOM 0 HG21 ILE A 53 -1.757 7.682 -7.675 1.00 43.52 H new ATOM 0 HG22 ILE A 53 -2.066 8.736 -6.275 1.00 43.52 H new ATOM 0 HG23 ILE A 53 -0.451 8.699 -7.021 1.00 43.52 H new ATOM 0 HD11 ILE A 53 0.241 4.543 -8.126 1.00 51.12 H new ATOM 0 HD12 ILE A 53 -1.369 4.611 -7.372 1.00 51.12 H new ATOM 0 HD13 ILE A 53 -0.843 5.914 -8.464 1.00 51.12 H new ATOM 852 N VAL A 54 -2.249 8.101 -3.145 1.00 54.41 N ATOM 853 CA VAL A 54 -3.267 8.951 -2.509 1.00 4.30 C ATOM 854 C VAL A 54 -2.697 9.640 -1.252 1.00 0.42 C ATOM 855 O VAL A 54 -3.009 10.805 -0.980 1.00 45.14 O ATOM 856 CB VAL A 54 -4.556 8.118 -2.176 1.00 51.22 C ATOM 857 CG1 VAL A 54 -5.666 8.992 -1.564 1.00 43.43 C ATOM 858 CG2 VAL A 54 -5.072 7.394 -3.438 1.00 74.15 C ATOM 0 H VAL A 54 -2.409 7.103 -3.005 1.00 54.41 H new ATOM 0 HA VAL A 54 -3.552 9.734 -3.212 1.00 4.30 H new ATOM 0 HB VAL A 54 -4.279 7.374 -1.429 1.00 51.22 H new ATOM 0 HG11 VAL A 54 -6.538 8.375 -1.350 1.00 43.43 H new ATOM 0 HG12 VAL A 54 -5.305 9.444 -0.640 1.00 43.43 H new ATOM 0 HG13 VAL A 54 -5.941 9.777 -2.269 1.00 43.43 H new ATOM 0 HG21 VAL A 54 -5.966 6.822 -3.189 1.00 74.15 H new ATOM 0 HG22 VAL A 54 -5.314 8.129 -4.206 1.00 74.15 H new ATOM 0 HG23 VAL A 54 -4.301 6.720 -3.811 1.00 74.15 H new ATOM 868 N PHE A 55 -1.814 8.922 -0.535 1.00 75.05 N ATOM 869 CA PHE A 55 -1.103 9.457 0.646 1.00 2.42 C ATOM 870 C PHE A 55 -0.053 10.501 0.237 1.00 10.25 C ATOM 871 O PHE A 55 0.283 11.394 1.016 1.00 74.31 O ATOM 872 CB PHE A 55 -0.419 8.321 1.440 1.00 1.43 C ATOM 873 CG PHE A 55 -1.368 7.398 2.200 1.00 31.13 C ATOM 874 CD1 PHE A 55 -2.304 7.919 3.090 1.00 14.43 C ATOM 875 CD2 PHE A 55 -1.295 6.008 2.059 1.00 60.11 C ATOM 876 CE1 PHE A 55 -3.126 7.081 3.809 1.00 3.31 C ATOM 877 CE2 PHE A 55 -2.126 5.176 2.776 1.00 35.44 C ATOM 878 CZ PHE A 55 -3.039 5.712 3.646 1.00 24.12 C ATOM 0 H PHE A 55 -1.572 7.956 -0.755 1.00 75.05 H new ATOM 0 HA PHE A 55 -1.847 9.938 1.281 1.00 2.42 H new ATOM 0 HB2 PHE A 55 0.171 7.720 0.748 1.00 1.43 H new ATOM 0 HB3 PHE A 55 0.278 8.765 2.151 1.00 1.43 H new ATOM 0 HD1 PHE A 55 -2.386 8.988 3.217 1.00 14.43 H new ATOM 0 HD2 PHE A 55 -0.575 5.580 1.377 1.00 60.11 H new ATOM 0 HE1 PHE A 55 -3.842 7.496 4.503 1.00 3.31 H new ATOM 0 HE2 PHE A 55 -2.058 4.105 2.653 1.00 35.44 H new ATOM 0 HZ PHE A 55 -3.694 5.061 4.207 1.00 24.12 H new ATOM 888 N TYR A 56 0.472 10.352 -0.973 1.00 41.20 N ATOM 889 CA TYR A 56 1.511 11.232 -1.513 1.00 62.14 C ATOM 890 C TYR A 56 0.925 12.579 -1.985 1.00 54.35 C ATOM 891 O TYR A 56 1.482 13.640 -1.693 1.00 64.34 O ATOM 892 CB TYR A 56 2.240 10.502 -2.660 1.00 11.32 C ATOM 893 CG TYR A 56 3.325 11.330 -3.335 1.00 13.44 C ATOM 894 CD1 TYR A 56 4.354 11.906 -2.592 1.00 41.41 C ATOM 895 CD2 TYR A 56 3.311 11.553 -4.707 1.00 64.10 C ATOM 896 CE1 TYR A 56 5.327 12.663 -3.195 1.00 30.44 C ATOM 897 CE2 TYR A 56 4.281 12.310 -5.313 1.00 51.35 C ATOM 898 CZ TYR A 56 5.292 12.864 -4.559 1.00 23.14 C ATOM 899 OH TYR A 56 6.267 13.629 -5.173 1.00 4.25 O ATOM 0 H TYR A 56 0.189 9.612 -1.615 1.00 41.20 H new ATOM 0 HA TYR A 56 2.226 11.465 -0.724 1.00 62.14 H new ATOM 0 HB2 TYR A 56 2.687 9.588 -2.268 1.00 11.32 H new ATOM 0 HB3 TYR A 56 1.507 10.203 -3.410 1.00 11.32 H new ATOM 0 HD1 TYR A 56 4.386 11.754 -1.523 1.00 41.41 H new ATOM 0 HD2 TYR A 56 2.522 11.123 -5.306 1.00 64.10 H new ATOM 0 HE1 TYR A 56 6.118 13.100 -2.603 1.00 30.44 H new ATOM 0 HE2 TYR A 56 4.252 12.472 -6.380 1.00 51.35 H new ATOM 0 HH TYR A 56 6.093 13.668 -6.137 1.00 4.25 H new ATOM 909 N LYS A 57 -0.178 12.515 -2.754 1.00 3.40 N ATOM 910 CA LYS A 57 -0.901 13.721 -3.234 1.00 23.24 C ATOM 911 C LYS A 57 -1.445 14.586 -2.066 1.00 42.51 C ATOM 912 O LYS A 57 -1.472 15.819 -2.169 1.00 63.11 O ATOM 913 CB LYS A 57 -2.043 13.340 -4.224 1.00 51.45 C ATOM 914 CG LYS A 57 -3.223 12.557 -3.611 1.00 13.05 C ATOM 915 CD LYS A 57 -4.337 12.141 -4.614 1.00 23.05 C ATOM 916 CE LYS A 57 -3.909 11.056 -5.631 1.00 14.55 C ATOM 917 NZ LYS A 57 -3.000 11.576 -6.690 1.00 50.21 N ATOM 0 H LYS A 57 -0.595 11.636 -3.061 1.00 3.40 H new ATOM 0 HA LYS A 57 -0.173 14.329 -3.771 1.00 23.24 H new ATOM 0 HB2 LYS A 57 -2.431 14.255 -4.672 1.00 51.45 H new ATOM 0 HB3 LYS A 57 -1.616 12.745 -5.032 1.00 51.45 H new ATOM 0 HG2 LYS A 57 -2.832 11.658 -3.134 1.00 13.05 H new ATOM 0 HG3 LYS A 57 -3.672 13.165 -2.826 1.00 13.05 H new ATOM 0 HD2 LYS A 57 -5.197 11.776 -4.052 1.00 23.05 H new ATOM 0 HD3 LYS A 57 -4.665 13.025 -5.161 1.00 23.05 H new ATOM 0 HE2 LYS A 57 -3.412 10.244 -5.100 1.00 14.55 H new ATOM 0 HE3 LYS A 57 -4.798 10.633 -6.099 1.00 14.55 H new ATOM 0 HZ1 LYS A 57 -3.318 11.234 -7.619 1.00 50.21 H new ATOM 0 HZ2 LYS A 57 -3.015 12.616 -6.680 1.00 50.21 H new ATOM 0 HZ3 LYS A 57 -2.032 11.242 -6.511 1.00 50.21 H new ATOM 931 N GLU A 58 -1.875 13.935 -0.959 1.00 50.25 N ATOM 932 CA GLU A 58 -2.321 14.650 0.269 1.00 54.10 C ATOM 933 C GLU A 58 -1.114 15.011 1.163 1.00 25.03 C ATOM 934 O GLU A 58 -1.248 15.797 2.109 1.00 23.25 O ATOM 935 CB GLU A 58 -3.349 13.792 1.054 1.00 1.10 C ATOM 936 CG GLU A 58 -2.761 12.526 1.697 1.00 51.21 C ATOM 937 CD GLU A 58 -3.794 11.640 2.407 1.00 45.03 C ATOM 938 OE1 GLU A 58 -4.091 11.897 3.597 1.00 43.43 O ATOM 939 OE2 GLU A 58 -4.299 10.681 1.791 1.00 60.23 O ATOM 0 H GLU A 58 -1.924 12.919 -0.887 1.00 50.25 H new ATOM 0 HA GLU A 58 -2.807 15.578 -0.033 1.00 54.10 H new ATOM 0 HB2 GLU A 58 -3.796 14.407 1.835 1.00 1.10 H new ATOM 0 HB3 GLU A 58 -4.153 13.501 0.378 1.00 1.10 H new ATOM 0 HG2 GLU A 58 -2.264 11.938 0.925 1.00 51.21 H new ATOM 0 HG3 GLU A 58 -1.996 12.819 2.416 1.00 51.21 H new ATOM 946 N HIS A 59 0.057 14.419 0.830 1.00 22.02 N ATOM 947 CA HIS A 59 1.358 14.652 1.495 1.00 73.21 C ATOM 948 C HIS A 59 1.352 14.203 2.966 1.00 53.44 C ATOM 949 O HIS A 59 2.041 14.780 3.812 1.00 55.31 O ATOM 950 CB HIS A 59 1.847 16.123 1.317 1.00 64.21 C ATOM 951 CG HIS A 59 2.170 16.466 -0.110 1.00 71.01 C ATOM 952 ND1 HIS A 59 3.381 16.163 -0.700 1.00 52.14 N ATOM 953 CD2 HIS A 59 1.432 17.061 -1.072 1.00 51.04 C ATOM 954 CE1 HIS A 59 3.366 16.553 -1.955 1.00 32.01 C ATOM 955 NE2 HIS A 59 2.195 17.098 -2.205 1.00 64.12 N ATOM 0 H HIS A 59 0.123 13.745 0.067 1.00 22.02 H new ATOM 0 HA HIS A 59 2.089 14.019 0.991 1.00 73.21 H new ATOM 0 HB2 HIS A 59 1.077 16.803 1.683 1.00 64.21 H new ATOM 0 HB3 HIS A 59 2.732 16.283 1.933 1.00 64.21 H new ATOM 0 HD2 HIS A 59 0.425 17.438 -0.966 1.00 51.04 H new ATOM 0 HE1 HIS A 59 4.176 16.445 -2.661 1.00 32.01 H new ATOM 0 HE2 HIS A 59 1.903 17.486 -3.102 1.00 64.12 H new ATOM 964 N ASP A 60 0.596 13.125 3.241 1.00 41.42 N ATOM 965 CA ASP A 60 0.530 12.488 4.559 1.00 50.21 C ATOM 966 C ASP A 60 1.755 11.574 4.717 1.00 22.43 C ATOM 967 O ASP A 60 1.748 10.432 4.252 1.00 55.24 O ATOM 968 CB ASP A 60 -0.794 11.684 4.684 1.00 31.04 C ATOM 969 CG ASP A 60 -1.148 11.285 6.125 1.00 14.42 C ATOM 970 OD1 ASP A 60 -1.843 12.063 6.815 1.00 43.10 O ATOM 971 OD2 ASP A 60 -0.749 10.199 6.572 1.00 21.35 O ATOM 0 H ASP A 60 0.008 12.670 2.542 1.00 41.42 H new ATOM 0 HA ASP A 60 0.541 13.237 5.351 1.00 50.21 H new ATOM 0 HB2 ASP A 60 -1.609 12.279 4.272 1.00 31.04 H new ATOM 0 HB3 ASP A 60 -0.719 10.782 4.076 1.00 31.04 H new ATOM 976 N THR A 61 2.828 12.130 5.314 1.00 54.32 N ATOM 977 CA THR A 61 4.114 11.431 5.529 1.00 25.21 C ATOM 978 C THR A 61 3.952 10.098 6.285 1.00 1.11 C ATOM 979 O THR A 61 4.627 9.120 5.951 1.00 72.21 O ATOM 980 CB THR A 61 5.123 12.351 6.302 1.00 54.34 C ATOM 981 OG1 THR A 61 4.441 13.030 7.373 1.00 53.05 O ATOM 982 CG2 THR A 61 5.811 13.371 5.380 1.00 33.40 C ATOM 0 H THR A 61 2.828 13.088 5.665 1.00 54.32 H new ATOM 0 HA THR A 61 4.506 11.202 4.538 1.00 25.21 H new ATOM 0 HB THR A 61 5.905 11.710 6.709 1.00 54.34 H new ATOM 0 HG1 THR A 61 5.075 13.602 7.854 1.00 53.05 H new ATOM 0 HG21 THR A 61 6.499 13.983 5.964 1.00 33.40 H new ATOM 0 HG22 THR A 61 6.364 12.844 4.603 1.00 33.40 H new ATOM 0 HG23 THR A 61 5.058 14.011 4.919 1.00 33.40 H new ATOM 990 N ASP A 62 3.057 10.084 7.293 1.00 75.45 N ATOM 991 CA ASP A 62 2.793 8.894 8.125 1.00 62.31 C ATOM 992 C ASP A 62 2.241 7.741 7.279 1.00 22.13 C ATOM 993 O ASP A 62 2.798 6.641 7.276 1.00 63.43 O ATOM 994 CB ASP A 62 1.798 9.221 9.270 1.00 42.32 C ATOM 995 CG ASP A 62 1.402 7.964 10.084 1.00 65.44 C ATOM 996 OD1 ASP A 62 2.210 7.515 10.910 1.00 15.03 O ATOM 997 OD2 ASP A 62 0.295 7.408 9.880 1.00 25.23 O ATOM 0 H ASP A 62 2.498 10.897 7.553 1.00 75.45 H new ATOM 0 HA ASP A 62 3.744 8.588 8.562 1.00 62.31 H new ATOM 0 HB2 ASP A 62 2.246 9.957 9.938 1.00 42.32 H new ATOM 0 HB3 ASP A 62 0.901 9.676 8.850 1.00 42.32 H new ATOM 1002 N GLY A 63 1.157 8.041 6.547 1.00 34.05 N ATOM 1003 CA GLY A 63 0.409 7.045 5.790 1.00 64.43 C ATOM 1004 C GLY A 63 1.137 6.572 4.547 1.00 24.53 C ATOM 1005 O GLY A 63 1.012 5.407 4.165 1.00 22.11 O ATOM 0 H GLY A 63 0.780 8.985 6.468 1.00 34.05 H new ATOM 0 HA2 GLY A 63 0.204 6.188 6.432 1.00 64.43 H new ATOM 0 HA3 GLY A 63 -0.555 7.465 5.502 1.00 64.43 H new ATOM 1009 N LEU A 64 1.886 7.491 3.908 1.00 52.44 N ATOM 1010 CA LEU A 64 2.734 7.176 2.743 1.00 54.03 C ATOM 1011 C LEU A 64 3.846 6.210 3.154 1.00 64.14 C ATOM 1012 O LEU A 64 4.087 5.218 2.475 1.00 34.30 O ATOM 1013 CB LEU A 64 3.321 8.481 2.142 1.00 2.23 C ATOM 1014 CG LEU A 64 4.348 8.327 0.968 1.00 14.22 C ATOM 1015 CD1 LEU A 64 3.766 7.567 -0.237 1.00 54.51 C ATOM 1016 CD2 LEU A 64 4.877 9.696 0.529 1.00 74.44 C ATOM 0 H LEU A 64 1.920 8.472 4.185 1.00 52.44 H new ATOM 0 HA LEU A 64 2.128 6.693 1.976 1.00 54.03 H new ATOM 0 HB2 LEU A 64 2.492 9.093 1.788 1.00 2.23 H new ATOM 0 HB3 LEU A 64 3.806 9.035 2.945 1.00 2.23 H new ATOM 0 HG LEU A 64 5.174 7.729 1.353 1.00 14.22 H new ATOM 0 HD11 LEU A 64 4.522 7.491 -1.019 1.00 54.51 H new ATOM 0 HD12 LEU A 64 3.464 6.567 0.075 1.00 54.51 H new ATOM 0 HD13 LEU A 64 2.899 8.104 -0.622 1.00 54.51 H new ATOM 0 HD21 LEU A 64 5.588 9.567 -0.287 1.00 74.44 H new ATOM 0 HD22 LEU A 64 4.046 10.316 0.191 1.00 74.44 H new ATOM 0 HD23 LEU A 64 5.373 10.181 1.370 1.00 74.44 H new ATOM 1028 N ARG A 65 4.484 6.516 4.300 1.00 70.21 N ATOM 1029 CA ARG A 65 5.482 5.641 4.946 1.00 2.25 C ATOM 1030 C ARG A 65 4.862 4.286 5.311 1.00 34.01 C ATOM 1031 O ARG A 65 5.451 3.242 5.076 1.00 23.21 O ATOM 1032 CB ARG A 65 6.027 6.347 6.221 1.00 71.32 C ATOM 1033 CG ARG A 65 6.947 5.497 7.123 1.00 21.53 C ATOM 1034 CD ARG A 65 7.493 6.296 8.322 1.00 54.53 C ATOM 1035 NE ARG A 65 7.960 5.412 9.403 1.00 42.53 N ATOM 1036 CZ ARG A 65 7.275 5.140 10.526 1.00 53.43 C ATOM 1037 NH1 ARG A 65 6.075 5.683 10.747 1.00 22.10 N ATOM 1038 NH2 ARG A 65 7.793 4.313 11.423 1.00 22.43 N ATOM 0 H ARG A 65 4.320 7.385 4.808 1.00 70.21 H new ATOM 0 HA ARG A 65 6.301 5.458 4.251 1.00 2.25 H new ATOM 0 HB2 ARG A 65 6.575 7.238 5.913 1.00 71.32 H new ATOM 0 HB3 ARG A 65 5.179 6.685 6.816 1.00 71.32 H new ATOM 0 HG2 ARG A 65 6.395 4.631 7.488 1.00 21.53 H new ATOM 0 HG3 ARG A 65 7.781 5.117 6.532 1.00 21.53 H new ATOM 0 HD2 ARG A 65 8.315 6.931 7.991 1.00 54.53 H new ATOM 0 HD3 ARG A 65 6.714 6.956 8.704 1.00 54.53 H new ATOM 0 HE ARG A 65 8.874 4.973 9.290 1.00 42.53 H new ATOM 0 HH11 ARG A 65 5.666 6.314 10.058 1.00 22.10 H new ATOM 0 HH12 ARG A 65 5.567 5.466 11.605 1.00 22.10 H new ATOM 0 HH21 ARG A 65 8.706 3.888 11.258 1.00 22.43 H new ATOM 0 HH22 ARG A 65 7.279 4.101 12.278 1.00 22.43 H new ATOM 1052 N ARG A 66 3.634 4.341 5.829 1.00 31.34 N ATOM 1053 CA ARG A 66 2.894 3.178 6.347 1.00 32.45 C ATOM 1054 C ARG A 66 2.585 2.194 5.204 1.00 65.05 C ATOM 1055 O ARG A 66 2.733 0.975 5.349 1.00 63.41 O ATOM 1056 CB ARG A 66 1.588 3.688 7.017 1.00 72.11 C ATOM 1057 CG ARG A 66 1.030 2.813 8.147 1.00 15.41 C ATOM 1058 CD ARG A 66 -0.205 3.446 8.800 1.00 41.54 C ATOM 1059 NE ARG A 66 -0.510 2.855 10.113 1.00 13.45 N ATOM 1060 CZ ARG A 66 -0.559 3.536 11.272 1.00 55.34 C ATOM 1061 NH1 ARG A 66 -0.315 4.853 11.310 1.00 20.11 N ATOM 1062 NH2 ARG A 66 -0.849 2.895 12.395 1.00 2.34 N ATOM 0 H ARG A 66 3.110 5.213 5.904 1.00 31.34 H new ATOM 0 HA ARG A 66 3.494 2.645 7.085 1.00 32.45 H new ATOM 0 HB2 ARG A 66 1.772 4.687 7.414 1.00 72.11 H new ATOM 0 HB3 ARG A 66 0.822 3.787 6.248 1.00 72.11 H new ATOM 0 HG2 ARG A 66 0.769 1.831 7.752 1.00 15.41 H new ATOM 0 HG3 ARG A 66 1.801 2.658 8.902 1.00 15.41 H new ATOM 0 HD2 ARG A 66 -0.042 4.518 8.916 1.00 41.54 H new ATOM 0 HD3 ARG A 66 -1.064 3.323 8.141 1.00 41.54 H new ATOM 0 HE ARG A 66 -0.698 1.853 10.147 1.00 13.45 H new ATOM 0 HH11 ARG A 66 -0.088 5.355 10.451 1.00 20.11 H new ATOM 0 HH12 ARG A 66 -0.356 5.354 12.198 1.00 20.11 H new ATOM 0 HH21 ARG A 66 -1.033 1.892 12.377 1.00 2.34 H new ATOM 0 HH22 ARG A 66 -0.888 3.405 13.278 1.00 2.34 H new ATOM 1076 N ALA A 67 2.183 2.777 4.059 1.00 61.21 N ATOM 1077 CA ALA A 67 1.874 2.041 2.829 1.00 40.40 C ATOM 1078 C ALA A 67 3.161 1.569 2.141 1.00 62.31 C ATOM 1079 O ALA A 67 3.177 0.485 1.577 1.00 4.12 O ATOM 1080 CB ALA A 67 1.032 2.912 1.885 1.00 65.31 C ATOM 0 H ALA A 67 2.064 3.786 3.966 1.00 61.21 H new ATOM 0 HA ALA A 67 1.292 1.157 3.089 1.00 40.40 H new ATOM 0 HB1 ALA A 67 0.810 2.353 0.976 1.00 65.31 H new ATOM 0 HB2 ALA A 67 0.100 3.188 2.379 1.00 65.31 H new ATOM 0 HB3 ALA A 67 1.588 3.814 1.630 1.00 65.31 H new ATOM 1086 N ALA A 68 4.234 2.388 2.242 1.00 20.34 N ATOM 1087 CA ALA A 68 5.540 2.127 1.597 1.00 1.41 C ATOM 1088 C ALA A 68 6.251 0.919 2.208 1.00 34.41 C ATOM 1089 O ALA A 68 6.754 0.043 1.486 1.00 52.31 O ATOM 1090 CB ALA A 68 6.434 3.370 1.728 1.00 12.04 C ATOM 0 H ALA A 68 4.216 3.255 2.778 1.00 20.34 H new ATOM 0 HA ALA A 68 5.353 1.904 0.547 1.00 1.41 H new ATOM 0 HB1 ALA A 68 7.396 3.178 1.253 1.00 12.04 H new ATOM 0 HB2 ALA A 68 5.952 4.218 1.241 1.00 12.04 H new ATOM 0 HB3 ALA A 68 6.589 3.597 2.783 1.00 12.04 H new ATOM 1096 N LYS A 69 6.295 0.897 3.554 1.00 40.00 N ATOM 1097 CA LYS A 69 6.930 -0.186 4.311 1.00 11.55 C ATOM 1098 C LYS A 69 6.127 -1.478 4.149 1.00 33.44 C ATOM 1099 O LYS A 69 6.693 -2.504 3.811 1.00 34.43 O ATOM 1100 CB LYS A 69 7.074 0.176 5.816 1.00 62.35 C ATOM 1101 CG LYS A 69 7.827 1.493 6.098 1.00 34.43 C ATOM 1102 CD LYS A 69 9.181 1.611 5.363 1.00 71.34 C ATOM 1103 CE LYS A 69 9.840 2.979 5.589 1.00 75.30 C ATOM 1104 NZ LYS A 69 11.031 3.149 4.718 1.00 2.10 N ATOM 0 H LYS A 69 5.892 1.628 4.140 1.00 40.00 H new ATOM 0 HA LYS A 69 7.933 -0.333 3.910 1.00 11.55 H new ATOM 0 HB2 LYS A 69 6.079 0.242 6.256 1.00 62.35 H new ATOM 0 HB3 LYS A 69 7.593 -0.638 6.323 1.00 62.35 H new ATOM 0 HG2 LYS A 69 7.193 2.331 5.808 1.00 34.43 H new ATOM 0 HG3 LYS A 69 7.999 1.579 7.171 1.00 34.43 H new ATOM 0 HD2 LYS A 69 9.851 0.824 5.709 1.00 71.34 H new ATOM 0 HD3 LYS A 69 9.029 1.454 4.295 1.00 71.34 H new ATOM 0 HE2 LYS A 69 9.120 3.771 5.384 1.00 75.30 H new ATOM 0 HE3 LYS A 69 10.133 3.077 6.634 1.00 75.30 H new ATOM 0 HZ1 LYS A 69 11.563 3.991 5.017 1.00 2.10 H new ATOM 0 HZ2 LYS A 69 11.640 2.310 4.795 1.00 2.10 H new ATOM 0 HZ3 LYS A 69 10.725 3.265 3.731 1.00 2.10 H new ATOM 1118 N SER A 70 4.790 -1.385 4.335 1.00 22.00 N ATOM 1119 CA SER A 70 3.872 -2.543 4.242 1.00 42.52 C ATOM 1120 C SER A 70 3.858 -3.137 2.813 1.00 51.21 C ATOM 1121 O SER A 70 3.619 -4.335 2.643 1.00 11.54 O ATOM 1122 CB SER A 70 2.442 -2.140 4.679 1.00 34.24 C ATOM 1123 OG SER A 70 1.598 -3.271 4.830 1.00 53.02 O ATOM 0 H SER A 70 4.319 -0.507 4.553 1.00 22.00 H new ATOM 0 HA SER A 70 4.238 -3.314 4.920 1.00 42.52 H new ATOM 0 HB2 SER A 70 2.490 -1.594 5.621 1.00 34.24 H new ATOM 0 HB3 SER A 70 2.013 -1.463 3.940 1.00 34.24 H new ATOM 0 HG SER A 70 1.000 -3.338 4.057 1.00 53.02 H new ATOM 1129 N LEU A 71 4.095 -2.269 1.806 1.00 60.24 N ATOM 1130 CA LEU A 71 4.256 -2.669 0.391 1.00 4.24 C ATOM 1131 C LEU A 71 5.496 -3.563 0.270 1.00 34.52 C ATOM 1132 O LEU A 71 5.426 -4.675 -0.236 1.00 23.41 O ATOM 1133 CB LEU A 71 4.400 -1.401 -0.515 1.00 64.43 C ATOM 1134 CG LEU A 71 3.685 -1.429 -1.901 1.00 3.44 C ATOM 1135 CD1 LEU A 71 3.711 -0.034 -2.539 1.00 72.15 C ATOM 1136 CD2 LEU A 71 4.267 -2.486 -2.856 1.00 23.23 C ATOM 0 H LEU A 71 4.181 -1.263 1.953 1.00 60.24 H new ATOM 0 HA LEU A 71 3.377 -3.221 0.059 1.00 4.24 H new ATOM 0 HB2 LEU A 71 4.023 -0.543 0.042 1.00 64.43 H new ATOM 0 HB3 LEU A 71 5.462 -1.228 -0.687 1.00 64.43 H new ATOM 0 HG LEU A 71 2.650 -1.720 -1.722 1.00 3.44 H new ATOM 0 HD11 LEU A 71 3.209 -0.067 -3.506 1.00 72.15 H new ATOM 0 HD12 LEU A 71 3.198 0.674 -1.888 1.00 72.15 H new ATOM 0 HD13 LEU A 71 4.744 0.284 -2.677 1.00 72.15 H new ATOM 0 HD21 LEU A 71 3.728 -2.457 -3.803 1.00 23.23 H new ATOM 0 HD22 LEU A 71 5.322 -2.276 -3.032 1.00 23.23 H new ATOM 0 HD23 LEU A 71 4.164 -3.475 -2.410 1.00 23.23 H new ATOM 1148 N LYS A 72 6.612 -3.047 0.809 1.00 75.42 N ATOM 1149 CA LYS A 72 7.933 -3.697 0.776 1.00 65.53 C ATOM 1150 C LYS A 72 7.941 -5.006 1.610 1.00 54.44 C ATOM 1151 O LYS A 72 8.626 -5.976 1.254 1.00 3.23 O ATOM 1152 CB LYS A 72 8.980 -2.672 1.291 1.00 42.00 C ATOM 1153 CG LYS A 72 10.451 -3.128 1.214 1.00 71.23 C ATOM 1154 CD LYS A 72 11.438 -2.078 1.788 1.00 2.33 C ATOM 1155 CE LYS A 72 11.136 -1.700 3.253 1.00 2.43 C ATOM 1156 NZ LYS A 72 11.116 -2.893 4.143 1.00 63.11 N ATOM 0 H LYS A 72 6.622 -2.148 1.290 1.00 75.42 H new ATOM 0 HA LYS A 72 8.182 -3.992 -0.243 1.00 65.53 H new ATOM 0 HB2 LYS A 72 8.873 -1.751 0.718 1.00 42.00 H new ATOM 0 HB3 LYS A 72 8.747 -2.431 2.328 1.00 42.00 H new ATOM 0 HG2 LYS A 72 10.565 -4.064 1.761 1.00 71.23 H new ATOM 0 HG3 LYS A 72 10.709 -3.332 0.175 1.00 71.23 H new ATOM 0 HD2 LYS A 72 12.453 -2.469 1.722 1.00 2.33 H new ATOM 0 HD3 LYS A 72 11.401 -1.179 1.172 1.00 2.33 H new ATOM 0 HE2 LYS A 72 11.888 -0.995 3.608 1.00 2.43 H new ATOM 0 HE3 LYS A 72 10.173 -1.192 3.305 1.00 2.43 H new ATOM 0 HZ1 LYS A 72 11.481 -2.632 5.081 1.00 63.11 H new ATOM 0 HZ2 LYS A 72 10.140 -3.241 4.235 1.00 63.11 H new ATOM 0 HZ3 LYS A 72 11.713 -3.640 3.735 1.00 63.11 H new ATOM 1170 N GLU A 73 7.130 -5.030 2.689 1.00 2.23 N ATOM 1171 CA GLU A 73 6.953 -6.219 3.549 1.00 3.20 C ATOM 1172 C GLU A 73 6.079 -7.257 2.830 1.00 42.12 C ATOM 1173 O GLU A 73 6.226 -8.466 3.049 1.00 41.51 O ATOM 1174 CB GLU A 73 6.316 -5.834 4.917 1.00 63.05 C ATOM 1175 CG GLU A 73 7.150 -4.865 5.784 1.00 42.12 C ATOM 1176 CD GLU A 73 8.573 -5.369 6.082 1.00 15.31 C ATOM 1177 OE1 GLU A 73 8.733 -6.203 7.001 1.00 70.13 O ATOM 1178 OE2 GLU A 73 9.535 -4.931 5.405 1.00 30.54 O ATOM 0 H GLU A 73 6.579 -4.225 2.988 1.00 2.23 H new ATOM 0 HA GLU A 73 7.935 -6.649 3.745 1.00 3.20 H new ATOM 0 HB2 GLU A 73 5.342 -5.382 4.731 1.00 63.05 H new ATOM 0 HB3 GLU A 73 6.141 -6.746 5.487 1.00 63.05 H new ATOM 0 HG2 GLU A 73 7.214 -3.902 5.277 1.00 42.12 H new ATOM 0 HG3 GLU A 73 6.629 -4.695 6.727 1.00 42.12 H new ATOM 1185 N ALA A 74 5.161 -6.768 1.978 1.00 31.25 N ATOM 1186 CA ALA A 74 4.331 -7.622 1.124 1.00 15.11 C ATOM 1187 C ALA A 74 5.196 -8.290 0.038 1.00 12.13 C ATOM 1188 O ALA A 74 4.967 -9.443 -0.296 1.00 42.42 O ATOM 1189 CB ALA A 74 3.172 -6.817 0.506 1.00 44.55 C ATOM 0 H ALA A 74 4.977 -5.771 1.865 1.00 31.25 H new ATOM 0 HA ALA A 74 3.891 -8.409 1.737 1.00 15.11 H new ATOM 0 HB1 ALA A 74 2.570 -7.472 -0.124 1.00 44.55 H new ATOM 0 HB2 ALA A 74 2.550 -6.406 1.301 1.00 44.55 H new ATOM 0 HB3 ALA A 74 3.575 -6.003 -0.097 1.00 44.55 H new ATOM 1195 N ILE A 75 6.233 -7.568 -0.455 1.00 34.04 N ATOM 1196 CA ILE A 75 7.109 -8.054 -1.551 1.00 53.34 C ATOM 1197 C ILE A 75 7.882 -9.324 -1.152 1.00 63.34 C ATOM 1198 O ILE A 75 7.932 -10.302 -1.911 1.00 25.53 O ATOM 1199 CB ILE A 75 8.128 -6.964 -2.050 1.00 40.31 C ATOM 1200 CG1 ILE A 75 7.404 -5.636 -2.442 1.00 61.31 C ATOM 1201 CG2 ILE A 75 8.973 -7.504 -3.230 1.00 50.13 C ATOM 1202 CD1 ILE A 75 6.191 -5.783 -3.350 1.00 34.11 C ATOM 0 H ILE A 75 6.484 -6.642 -0.109 1.00 34.04 H new ATOM 0 HA ILE A 75 6.433 -8.290 -2.373 1.00 53.34 H new ATOM 0 HB ILE A 75 8.800 -6.736 -1.223 1.00 40.31 H new ATOM 0 HG12 ILE A 75 7.090 -5.132 -1.528 1.00 61.31 H new ATOM 0 HG13 ILE A 75 8.125 -4.983 -2.934 1.00 61.31 H new ATOM 0 HG21 ILE A 75 9.671 -6.735 -3.560 1.00 50.13 H new ATOM 0 HG22 ILE A 75 9.529 -8.384 -2.907 1.00 50.13 H new ATOM 0 HG23 ILE A 75 8.314 -7.774 -4.055 1.00 50.13 H new ATOM 0 HD11 ILE A 75 5.769 -4.799 -3.556 1.00 34.11 H new ATOM 0 HD12 ILE A 75 6.492 -6.252 -4.287 1.00 34.11 H new ATOM 0 HD13 ILE A 75 5.442 -6.403 -2.858 1.00 34.11 H new ATOM 1214 N THR A 76 8.466 -9.296 0.050 1.00 64.43 N ATOM 1215 CA THR A 76 9.226 -10.438 0.587 1.00 54.50 C ATOM 1216 C THR A 76 8.284 -11.609 0.969 1.00 33.33 C ATOM 1217 O THR A 76 8.736 -12.743 1.164 1.00 33.15 O ATOM 1218 CB THR A 76 10.100 -9.992 1.810 1.00 53.31 C ATOM 1219 OG1 THR A 76 11.001 -11.047 2.206 1.00 14.30 O ATOM 1220 CG2 THR A 76 9.252 -9.560 3.018 1.00 60.51 C ATOM 0 H THR A 76 8.428 -8.491 0.676 1.00 64.43 H new ATOM 0 HA THR A 76 9.895 -10.798 -0.195 1.00 54.50 H new ATOM 0 HB THR A 76 10.672 -9.125 1.480 1.00 53.31 H new ATOM 0 HG1 THR A 76 10.642 -11.911 1.913 1.00 14.30 H new ATOM 0 HG21 THR A 76 9.909 -9.262 3.835 1.00 60.51 H new ATOM 0 HG22 THR A 76 8.619 -8.719 2.736 1.00 60.51 H new ATOM 0 HG23 THR A 76 8.627 -10.393 3.340 1.00 60.51 H new ATOM 1228 N ALA A 77 6.968 -11.310 1.064 1.00 40.53 N ATOM 1229 CA ALA A 77 5.913 -12.300 1.361 1.00 13.14 C ATOM 1230 C ALA A 77 5.152 -12.744 0.085 1.00 44.31 C ATOM 1231 O ALA A 77 4.218 -13.556 0.177 1.00 10.23 O ATOM 1232 CB ALA A 77 4.942 -11.711 2.396 1.00 64.43 C ATOM 0 H ALA A 77 6.608 -10.365 0.935 1.00 40.53 H new ATOM 0 HA ALA A 77 6.388 -13.192 1.769 1.00 13.14 H new ATOM 0 HB1 ALA A 77 4.161 -12.439 2.618 1.00 64.43 H new ATOM 0 HB2 ALA A 77 5.486 -11.472 3.310 1.00 64.43 H new ATOM 0 HB3 ALA A 77 4.489 -10.804 1.995 1.00 64.43 H new ATOM 1238 N ILE A 78 5.537 -12.196 -1.094 1.00 13.21 N ATOM 1239 CA ILE A 78 4.943 -12.585 -2.399 1.00 32.22 C ATOM 1240 C ILE A 78 5.375 -14.023 -2.766 1.00 63.34 C ATOM 1241 O ILE A 78 6.559 -14.345 -2.651 1.00 75.34 O ATOM 1242 CB ILE A 78 5.348 -11.593 -3.582 1.00 70.20 C ATOM 1243 CG1 ILE A 78 4.743 -10.181 -3.347 1.00 3.21 C ATOM 1244 CG2 ILE A 78 4.932 -12.132 -4.981 1.00 30.34 C ATOM 1245 CD1 ILE A 78 5.066 -9.148 -4.415 1.00 1.00 C ATOM 0 H ILE A 78 6.260 -11.480 -1.168 1.00 13.21 H new ATOM 0 HA ILE A 78 3.861 -12.530 -2.283 1.00 32.22 H new ATOM 0 HB ILE A 78 6.436 -11.522 -3.574 1.00 70.20 H new ATOM 0 HG12 ILE A 78 3.660 -10.276 -3.273 1.00 3.21 H new ATOM 0 HG13 ILE A 78 5.097 -9.808 -2.386 1.00 3.21 H new ATOM 0 HG21 ILE A 78 5.231 -11.419 -5.749 1.00 30.34 H new ATOM 0 HG22 ILE A 78 5.422 -13.088 -5.163 1.00 30.34 H new ATOM 0 HG23 ILE A 78 3.851 -12.267 -5.012 1.00 30.34 H new ATOM 0 HD11 ILE A 78 4.597 -8.199 -4.157 1.00 1.00 H new ATOM 0 HD12 ILE A 78 6.146 -9.014 -4.477 1.00 1.00 H new ATOM 0 HD13 ILE A 78 4.687 -9.490 -5.378 1.00 1.00 H new ATOM 1369 N GLU A 86 8.537 -6.679 -10.333 1.00 21.14 N ATOM 1370 CA GLU A 86 7.600 -5.674 -10.875 1.00 33.32 C ATOM 1371 C GLU A 86 6.727 -5.076 -9.771 1.00 11.34 C ATOM 1372 O GLU A 86 6.466 -3.868 -9.756 1.00 14.13 O ATOM 1373 CB GLU A 86 6.759 -6.306 -12.020 1.00 23.54 C ATOM 1374 CG GLU A 86 5.922 -7.558 -11.652 1.00 33.41 C ATOM 1375 CD GLU A 86 4.442 -7.257 -11.383 1.00 70.41 C ATOM 1376 OE1 GLU A 86 3.705 -6.962 -12.350 1.00 2.45 O ATOM 1377 OE2 GLU A 86 3.994 -7.327 -10.222 1.00 41.42 O ATOM 0 HA GLU A 86 8.169 -4.845 -11.295 1.00 33.32 H new ATOM 0 HB2 GLU A 86 6.082 -5.544 -12.407 1.00 23.54 H new ATOM 0 HB3 GLU A 86 7.435 -6.574 -12.832 1.00 23.54 H new ATOM 0 HG2 GLU A 86 5.994 -8.283 -12.463 1.00 33.41 H new ATOM 0 HG3 GLU A 86 6.355 -8.025 -10.767 1.00 33.41 H new ATOM 1384 N ALA A 87 6.304 -5.927 -8.822 1.00 32.42 N ATOM 1385 CA ALA A 87 5.525 -5.483 -7.661 1.00 64.31 C ATOM 1386 C ALA A 87 6.409 -4.688 -6.694 1.00 53.02 C ATOM 1387 O ALA A 87 5.919 -3.822 -5.967 1.00 34.52 O ATOM 1388 CB ALA A 87 4.862 -6.672 -6.958 1.00 73.11 C ATOM 0 H ALA A 87 6.491 -6.930 -8.839 1.00 32.42 H new ATOM 0 HA ALA A 87 4.731 -4.824 -8.012 1.00 64.31 H new ATOM 0 HB1 ALA A 87 4.291 -6.316 -6.101 1.00 73.11 H new ATOM 0 HB2 ALA A 87 4.194 -7.180 -7.654 1.00 73.11 H new ATOM 0 HB3 ALA A 87 5.629 -7.368 -6.619 1.00 73.11 H new ATOM 1394 N LYS A 88 7.728 -4.995 -6.696 1.00 45.52 N ATOM 1395 CA LYS A 88 8.698 -4.286 -5.855 1.00 14.41 C ATOM 1396 C LYS A 88 8.956 -2.880 -6.392 1.00 32.05 C ATOM 1397 O LYS A 88 9.267 -1.993 -5.624 1.00 21.32 O ATOM 1398 CB LYS A 88 10.031 -5.039 -5.715 1.00 63.05 C ATOM 1399 CG LYS A 88 10.938 -4.496 -4.583 1.00 52.43 C ATOM 1400 CD LYS A 88 12.105 -5.437 -4.241 1.00 24.23 C ATOM 1401 CE LYS A 88 12.879 -4.970 -3.003 1.00 21.43 C ATOM 1402 NZ LYS A 88 14.003 -5.876 -2.660 1.00 34.30 N ATOM 0 H LYS A 88 8.136 -5.730 -7.274 1.00 45.52 H new ATOM 0 HA LYS A 88 8.252 -4.224 -4.862 1.00 14.41 H new ATOM 0 HB2 LYS A 88 9.825 -6.093 -5.529 1.00 63.05 H new ATOM 0 HB3 LYS A 88 10.571 -4.982 -6.660 1.00 63.05 H new ATOM 0 HG2 LYS A 88 11.336 -3.526 -4.879 1.00 52.43 H new ATOM 0 HG3 LYS A 88 10.336 -4.334 -3.689 1.00 52.43 H new ATOM 0 HD2 LYS A 88 11.721 -6.443 -4.070 1.00 24.23 H new ATOM 0 HD3 LYS A 88 12.784 -5.496 -5.092 1.00 24.23 H new ATOM 0 HE2 LYS A 88 13.266 -3.966 -3.178 1.00 21.43 H new ATOM 0 HE3 LYS A 88 12.197 -4.905 -2.155 1.00 21.43 H new ATOM 0 HZ1 LYS A 88 14.494 -5.516 -1.817 1.00 34.30 H new ATOM 0 HZ2 LYS A 88 13.634 -6.829 -2.466 1.00 34.30 H new ATOM 0 HZ3 LYS A 88 14.670 -5.919 -3.457 1.00 34.30 H new ATOM 1416 N GLU A 89 8.846 -2.700 -7.729 1.00 70.42 N ATOM 1417 CA GLU A 89 8.955 -1.375 -8.380 1.00 55.34 C ATOM 1418 C GLU A 89 7.966 -0.380 -7.735 1.00 60.35 C ATOM 1419 O GLU A 89 8.289 0.791 -7.522 1.00 51.32 O ATOM 1420 CB GLU A 89 8.670 -1.498 -9.895 1.00 63.23 C ATOM 1421 CG GLU A 89 8.869 -0.191 -10.690 1.00 41.53 C ATOM 1422 CD GLU A 89 8.397 -0.299 -12.146 1.00 11.30 C ATOM 1423 OE1 GLU A 89 9.164 -0.811 -12.993 1.00 70.15 O ATOM 1424 OE2 GLU A 89 7.258 0.117 -12.447 1.00 40.31 O ATOM 0 H GLU A 89 8.680 -3.465 -8.383 1.00 70.42 H new ATOM 0 HA GLU A 89 9.970 -1.002 -8.242 1.00 55.34 H new ATOM 0 HB2 GLU A 89 9.321 -2.266 -10.313 1.00 63.23 H new ATOM 0 HB3 GLU A 89 7.644 -1.840 -10.033 1.00 63.23 H new ATOM 0 HG2 GLU A 89 8.326 0.615 -10.196 1.00 41.53 H new ATOM 0 HG3 GLU A 89 9.925 0.080 -10.675 1.00 41.53 H new ATOM 1431 N MET A 90 6.787 -0.914 -7.389 1.00 43.40 N ATOM 1432 CA MET A 90 5.716 -0.178 -6.711 1.00 31.22 C ATOM 1433 C MET A 90 6.131 0.201 -5.271 1.00 30.20 C ATOM 1434 O MET A 90 5.858 1.318 -4.812 1.00 64.21 O ATOM 1435 CB MET A 90 4.425 -1.031 -6.697 1.00 20.35 C ATOM 1436 CG MET A 90 3.959 -1.524 -8.083 1.00 52.42 C ATOM 1437 SD MET A 90 2.285 -2.215 -8.073 1.00 24.04 S ATOM 1438 CE MET A 90 2.410 -3.552 -6.886 1.00 45.51 C ATOM 0 H MET A 90 6.548 -1.888 -7.577 1.00 43.40 H new ATOM 0 HA MET A 90 5.528 0.746 -7.258 1.00 31.22 H new ATOM 0 HB2 MET A 90 4.585 -1.897 -6.054 1.00 20.35 H new ATOM 0 HB3 MET A 90 3.624 -0.444 -6.248 1.00 20.35 H new ATOM 0 HG2 MET A 90 3.997 -0.694 -8.788 1.00 52.42 H new ATOM 0 HG3 MET A 90 4.655 -2.281 -8.444 1.00 52.42 H new ATOM 0 HE1 MET A 90 1.999 -4.464 -7.320 1.00 45.51 H new ATOM 0 HE2 MET A 90 3.457 -3.713 -6.628 1.00 45.51 H new ATOM 0 HE3 MET A 90 1.850 -3.294 -5.987 1.00 45.51 H new ATOM 1448 N ALA A 91 6.810 -0.745 -4.575 1.00 1.13 N ATOM 1449 CA ALA A 91 7.366 -0.516 -3.222 1.00 3.21 C ATOM 1450 C ALA A 91 8.423 0.587 -3.262 1.00 62.31 C ATOM 1451 O ALA A 91 8.395 1.507 -2.439 1.00 51.11 O ATOM 1452 CB ALA A 91 7.955 -1.818 -2.651 1.00 43.43 C ATOM 0 H ALA A 91 6.986 -1.683 -4.936 1.00 1.13 H new ATOM 0 HA ALA A 91 6.558 -0.194 -2.565 1.00 3.21 H new ATOM 0 HB1 ALA A 91 8.359 -1.629 -1.656 1.00 43.43 H new ATOM 0 HB2 ALA A 91 7.173 -2.574 -2.588 1.00 43.43 H new ATOM 0 HB3 ALA A 91 8.752 -2.174 -3.304 1.00 43.43 H new ATOM 1458 N LYS A 92 9.297 0.510 -4.291 1.00 2.23 N ATOM 1459 CA LYS A 92 10.385 1.473 -4.520 1.00 22.31 C ATOM 1460 C LYS A 92 9.807 2.872 -4.723 1.00 43.41 C ATOM 1461 O LYS A 92 10.325 3.822 -4.168 1.00 41.11 O ATOM 1462 CB LYS A 92 11.231 1.078 -5.765 1.00 41.32 C ATOM 1463 CG LYS A 92 11.880 -0.322 -5.700 1.00 1.13 C ATOM 1464 CD LYS A 92 12.515 -0.742 -7.051 1.00 32.31 C ATOM 1465 CE LYS A 92 12.843 -2.241 -7.124 1.00 40.41 C ATOM 1466 NZ LYS A 92 13.481 -2.606 -8.419 1.00 55.54 N ATOM 0 H LYS A 92 9.262 -0.232 -4.990 1.00 2.23 H new ATOM 0 HA LYS A 92 11.033 1.465 -3.643 1.00 22.31 H new ATOM 0 HB2 LYS A 92 10.593 1.125 -6.648 1.00 41.32 H new ATOM 0 HB3 LYS A 92 12.018 1.820 -5.900 1.00 41.32 H new ATOM 0 HG2 LYS A 92 12.645 -0.329 -4.924 1.00 1.13 H new ATOM 0 HG3 LYS A 92 11.127 -1.056 -5.412 1.00 1.13 H new ATOM 0 HD2 LYS A 92 11.832 -0.486 -7.861 1.00 32.31 H new ATOM 0 HD3 LYS A 92 13.428 -0.168 -7.210 1.00 32.31 H new ATOM 0 HE2 LYS A 92 13.509 -2.508 -6.303 1.00 40.41 H new ATOM 0 HE3 LYS A 92 11.929 -2.820 -6.994 1.00 40.41 H new ATOM 0 HZ1 LYS A 92 13.687 -3.625 -8.429 1.00 55.54 H new ATOM 0 HZ2 LYS A 92 12.836 -2.375 -9.201 1.00 55.54 H new ATOM 0 HZ3 LYS A 92 14.367 -2.073 -8.532 1.00 55.54 H new ATOM 1480 N LYS A 93 8.698 2.948 -5.501 1.00 61.41 N ATOM 1481 CA LYS A 93 7.981 4.213 -5.789 1.00 2.01 C ATOM 1482 C LYS A 93 7.517 4.891 -4.491 1.00 52.40 C ATOM 1483 O LYS A 93 7.781 6.074 -4.276 1.00 60.45 O ATOM 1484 CB LYS A 93 6.750 3.938 -6.693 1.00 71.21 C ATOM 1485 CG LYS A 93 7.055 3.688 -8.180 1.00 23.42 C ATOM 1486 CD LYS A 93 7.516 4.964 -8.910 1.00 73.01 C ATOM 1487 CE LYS A 93 7.854 4.712 -10.385 1.00 61.33 C ATOM 1488 NZ LYS A 93 8.334 5.955 -11.045 1.00 3.34 N ATOM 0 H LYS A 93 8.277 2.133 -5.946 1.00 61.41 H new ATOM 0 HA LYS A 93 8.672 4.879 -6.305 1.00 2.01 H new ATOM 0 HB2 LYS A 93 6.220 3.071 -6.299 1.00 71.21 H new ATOM 0 HB3 LYS A 93 6.071 4.787 -6.618 1.00 71.21 H new ATOM 0 HG2 LYS A 93 7.828 2.925 -8.266 1.00 23.42 H new ATOM 0 HG3 LYS A 93 6.164 3.295 -8.669 1.00 23.42 H new ATOM 0 HD2 LYS A 93 6.732 5.718 -8.845 1.00 73.01 H new ATOM 0 HD3 LYS A 93 8.392 5.370 -8.405 1.00 73.01 H new ATOM 0 HE2 LYS A 93 8.619 3.939 -10.459 1.00 61.33 H new ATOM 0 HE3 LYS A 93 6.972 4.338 -10.905 1.00 61.33 H new ATOM 0 HZ1 LYS A 93 8.555 5.756 -12.041 1.00 3.34 H new ATOM 0 HZ2 LYS A 93 7.594 6.683 -10.994 1.00 3.34 H new ATOM 0 HZ3 LYS A 93 9.189 6.296 -10.562 1.00 3.34 H new ATOM 1502 N ALA A 94 6.840 4.105 -3.645 1.00 45.35 N ATOM 1503 CA ALA A 94 6.294 4.567 -2.360 1.00 40.44 C ATOM 1504 C ALA A 94 7.417 5.032 -1.403 1.00 52.04 C ATOM 1505 O ALA A 94 7.237 5.983 -0.622 1.00 43.52 O ATOM 1506 CB ALA A 94 5.445 3.445 -1.753 1.00 1.13 C ATOM 0 H ALA A 94 6.653 3.120 -3.834 1.00 45.35 H new ATOM 0 HA ALA A 94 5.660 5.438 -2.525 1.00 40.44 H new ATOM 0 HB1 ALA A 94 5.034 3.775 -0.799 1.00 1.13 H new ATOM 0 HB2 ALA A 94 4.630 3.197 -2.433 1.00 1.13 H new ATOM 0 HB3 ALA A 94 6.066 2.564 -1.595 1.00 1.13 H new ATOM 1512 N GLU A 95 8.582 4.364 -1.513 1.00 73.54 N ATOM 1513 CA GLU A 95 9.804 4.724 -0.770 1.00 35.23 C ATOM 1514 C GLU A 95 10.447 6.008 -1.354 1.00 41.12 C ATOM 1515 O GLU A 95 10.923 6.845 -0.592 1.00 30.23 O ATOM 1516 CB GLU A 95 10.816 3.538 -0.802 1.00 50.14 C ATOM 1517 CG GLU A 95 10.347 2.229 -0.107 1.00 73.02 C ATOM 1518 CD GLU A 95 10.453 2.244 1.434 1.00 33.45 C ATOM 1519 OE1 GLU A 95 9.629 2.895 2.102 1.00 32.25 O ATOM 1520 OE2 GLU A 95 11.384 1.608 1.985 1.00 73.32 O ATOM 0 H GLU A 95 8.702 3.555 -2.123 1.00 73.54 H new ATOM 0 HA GLU A 95 9.534 4.927 0.266 1.00 35.23 H new ATOM 0 HB2 GLU A 95 11.048 3.311 -1.843 1.00 50.14 H new ATOM 0 HB3 GLU A 95 11.744 3.864 -0.332 1.00 50.14 H new ATOM 0 HG2 GLU A 95 9.311 2.037 -0.385 1.00 73.02 H new ATOM 0 HG3 GLU A 95 10.939 1.398 -0.490 1.00 73.02 H new ATOM 1527 N GLU A 96 10.423 6.164 -2.706 1.00 51.30 N ATOM 1528 CA GLU A 96 10.987 7.349 -3.414 1.00 4.20 C ATOM 1529 C GLU A 96 10.271 8.621 -2.960 1.00 23.22 C ATOM 1530 O GLU A 96 10.902 9.640 -2.643 1.00 10.32 O ATOM 1531 CB GLU A 96 10.829 7.233 -4.965 1.00 41.22 C ATOM 1532 CG GLU A 96 11.675 6.154 -5.661 1.00 11.14 C ATOM 1533 CD GLU A 96 13.190 6.338 -5.481 1.00 31.31 C ATOM 1534 OE1 GLU A 96 13.783 7.181 -6.191 1.00 71.23 O ATOM 1535 OE2 GLU A 96 13.793 5.637 -4.645 1.00 64.55 O ATOM 0 H GLU A 96 10.013 5.474 -3.335 1.00 51.30 H new ATOM 0 HA GLU A 96 12.048 7.390 -3.167 1.00 4.20 H new ATOM 0 HB2 GLU A 96 9.780 7.040 -5.188 1.00 41.22 H new ATOM 0 HB3 GLU A 96 11.077 8.198 -5.407 1.00 41.22 H new ATOM 0 HG2 GLU A 96 11.389 5.176 -5.273 1.00 11.14 H new ATOM 0 HG3 GLU A 96 11.443 6.155 -6.726 1.00 11.14 H new ATOM 1542 N TRP A 97 8.937 8.519 -2.944 1.00 54.51 N ATOM 1543 CA TRP A 97 8.049 9.600 -2.546 1.00 14.01 C ATOM 1544 C TRP A 97 8.305 9.981 -1.087 1.00 12.14 C ATOM 1545 O TRP A 97 8.436 11.155 -0.779 1.00 55.45 O ATOM 1546 CB TRP A 97 6.581 9.166 -2.760 1.00 44.42 C ATOM 1547 CG TRP A 97 6.232 8.855 -4.200 1.00 50.22 C ATOM 1548 CD1 TRP A 97 6.801 9.382 -5.334 1.00 64.44 C ATOM 1549 CD2 TRP A 97 5.221 7.948 -4.654 1.00 50.12 C ATOM 1550 NE1 TRP A 97 6.219 8.837 -6.448 1.00 35.22 N ATOM 1551 CE2 TRP A 97 5.245 7.961 -6.059 1.00 15.23 C ATOM 1552 CE3 TRP A 97 4.301 7.125 -4.002 1.00 35.20 C ATOM 1553 CZ2 TRP A 97 4.392 7.173 -6.821 1.00 71.54 C ATOM 1554 CZ3 TRP A 97 3.455 6.347 -4.761 1.00 71.44 C ATOM 1555 CH2 TRP A 97 3.505 6.382 -6.156 1.00 11.21 C ATOM 0 H TRP A 97 8.444 7.667 -3.212 1.00 54.51 H new ATOM 0 HA TRP A 97 8.244 10.479 -3.161 1.00 14.01 H new ATOM 0 HB2 TRP A 97 6.381 8.285 -2.151 1.00 44.42 H new ATOM 0 HB3 TRP A 97 5.923 9.958 -2.401 1.00 44.42 H new ATOM 0 HD1 TRP A 97 7.591 10.118 -5.346 1.00 64.44 H new ATOM 0 HE1 TRP A 97 6.472 9.051 -7.413 1.00 35.22 H new ATOM 0 HE3 TRP A 97 4.254 7.099 -2.923 1.00 35.20 H new ATOM 0 HZ2 TRP A 97 4.431 7.187 -7.900 1.00 71.54 H new ATOM 0 HZ3 TRP A 97 2.743 5.701 -4.270 1.00 71.44 H new ATOM 0 HH2 TRP A 97 2.822 5.766 -6.722 1.00 11.21 H new ATOM 1566 N LEU A 98 8.442 8.953 -0.229 1.00 72.33 N ATOM 1567 CA LEU A 98 8.706 9.115 1.211 1.00 63.45 C ATOM 1568 C LEU A 98 10.023 9.887 1.473 1.00 1.43 C ATOM 1569 O LEU A 98 10.049 10.809 2.295 1.00 63.41 O ATOM 1570 CB LEU A 98 8.753 7.726 1.898 1.00 34.15 C ATOM 1571 CG LEU A 98 9.012 7.737 3.436 1.00 73.42 C ATOM 1572 CD1 LEU A 98 7.927 8.551 4.175 1.00 25.02 C ATOM 1573 CD2 LEU A 98 9.122 6.300 3.983 1.00 4.33 C ATOM 0 H LEU A 98 8.372 7.978 -0.520 1.00 72.33 H new ATOM 0 HA LEU A 98 7.892 9.704 1.635 1.00 63.45 H new ATOM 0 HB2 LEU A 98 7.807 7.217 1.712 1.00 34.15 H new ATOM 0 HB3 LEU A 98 9.533 7.132 1.422 1.00 34.15 H new ATOM 0 HG LEU A 98 9.966 8.231 3.619 1.00 73.42 H new ATOM 0 HD11 LEU A 98 8.132 8.542 5.246 1.00 25.02 H new ATOM 0 HD12 LEU A 98 7.933 9.579 3.813 1.00 25.02 H new ATOM 0 HD13 LEU A 98 6.949 8.107 3.989 1.00 25.02 H new ATOM 0 HD21 LEU A 98 9.303 6.333 5.057 1.00 4.33 H new ATOM 0 HD22 LEU A 98 8.193 5.764 3.787 1.00 4.33 H new ATOM 0 HD23 LEU A 98 9.948 5.786 3.492 1.00 4.33 H new ATOM 1585 N GLN A 99 11.090 9.498 0.747 1.00 0.04 N ATOM 1586 CA GLN A 99 12.425 10.149 0.821 1.00 42.35 C ATOM 1587 C GLN A 99 12.340 11.626 0.401 1.00 10.24 C ATOM 1588 O GLN A 99 13.029 12.489 0.953 1.00 13.45 O ATOM 1589 CB GLN A 99 13.425 9.393 -0.098 1.00 64.41 C ATOM 1590 CG GLN A 99 13.691 7.920 0.292 1.00 34.05 C ATOM 1591 CD GLN A 99 14.332 7.097 -0.835 1.00 13.43 C ATOM 1592 OE1 GLN A 99 14.125 7.374 -2.018 1.00 40.15 O ATOM 1593 NE2 GLN A 99 15.111 6.081 -0.489 1.00 71.00 N ATOM 0 H GLN A 99 11.056 8.720 0.088 1.00 0.04 H new ATOM 0 HA GLN A 99 12.774 10.108 1.853 1.00 42.35 H new ATOM 0 HB2 GLN A 99 13.046 9.419 -1.120 1.00 64.41 H new ATOM 0 HB3 GLN A 99 14.374 9.930 -0.096 1.00 64.41 H new ATOM 0 HG2 GLN A 99 14.342 7.895 1.166 1.00 34.05 H new ATOM 0 HG3 GLN A 99 12.750 7.453 0.583 1.00 34.05 H new ATOM 0 HE21 GLN A 99 15.268 5.871 0.497 1.00 71.00 H new ATOM 0 HE22 GLN A 99 15.554 5.510 -1.209 1.00 71.00 H new ATOM 1602 N ALA A 100 11.467 11.888 -0.576 1.00 43.43 N ATOM 1603 CA ALA A 100 11.227 13.233 -1.119 1.00 53.24 C ATOM 1604 C ALA A 100 10.387 14.087 -0.140 1.00 71.22 C ATOM 1605 O ALA A 100 10.550 15.312 -0.074 1.00 63.22 O ATOM 1606 CB ALA A 100 10.552 13.098 -2.492 1.00 21.34 C ATOM 0 H ALA A 100 10.899 11.165 -1.019 1.00 43.43 H new ATOM 0 HA ALA A 100 12.176 13.755 -1.244 1.00 53.24 H new ATOM 0 HB1 ALA A 100 10.368 14.089 -2.906 1.00 21.34 H new ATOM 0 HB2 ALA A 100 11.203 12.539 -3.164 1.00 21.34 H new ATOM 0 HB3 ALA A 100 9.605 12.570 -2.381 1.00 21.34 H new ATOM 1612 N GLU A 101 9.503 13.415 0.631 1.00 53.02 N ATOM 1613 CA GLU A 101 8.673 14.051 1.674 1.00 63.23 C ATOM 1614 C GLU A 101 9.526 14.463 2.884 1.00 25.13 C ATOM 1615 O GLU A 101 9.139 15.368 3.637 1.00 73.33 O ATOM 1616 CB GLU A 101 7.551 13.094 2.144 1.00 2.34 C ATOM 1617 CG GLU A 101 6.525 12.708 1.071 1.00 41.51 C ATOM 1618 CD GLU A 101 5.662 13.871 0.564 1.00 73.34 C ATOM 1619 OE1 GLU A 101 4.623 14.148 1.181 1.00 35.01 O ATOM 1620 OE2 GLU A 101 6.017 14.513 -0.450 1.00 24.10 O ATOM 0 H GLU A 101 9.346 12.411 0.545 1.00 53.02 H new ATOM 0 HA GLU A 101 8.225 14.942 1.235 1.00 63.23 H new ATOM 0 HB2 GLU A 101 8.010 12.183 2.528 1.00 2.34 H new ATOM 0 HB3 GLU A 101 7.024 13.560 2.976 1.00 2.34 H new ATOM 0 HG2 GLU A 101 7.052 12.268 0.224 1.00 41.51 H new ATOM 0 HG3 GLU A 101 5.870 11.936 1.475 1.00 41.51 H new