USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 1:sc= 0.394! USER MOD Set 1.2: A 70 SER OG : rot -120:sc= 1.02 USER MOD Single : A 24 MET CE :methyl 161:sc= -0.165 (180deg=-0.685) USER MOD Single : A 30 ASN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= 0.12 (180deg=-0.356) USER MOD Single : A 36 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.19) USER MOD Single : A 37 LYS NZ :NH3+ -149:sc= 0.514 (180deg=-0.0861) USER MOD Single : A 38 MET CE :methyl 179:sc= -2.15 (180deg=-2.23!) USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= 0.263 (180deg=0.192) 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+ -169:sc= -0.031 (180deg=-0.172) USER MOD Single : A 59 HIS : no HE2:sc= 0.275 K(o=0.27,f=-0.99) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00499 USER MOD Single : A 69 LYS NZ :NH3+ -155:sc= 0.61 (180deg=-0.0111) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0261) USER MOD Single : A 76 THR OG1 : rot 30:sc= 0.136 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -140:sc= -1.05 (180deg=-4.37!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= -0.0279 (180deg=-0.185) USER MOD Single : A 99 GLN : amide:sc= 0.00543 X(o=0.0054,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -10.300 8.742 1.327 1.00 33.13 N ATOM 369 CA MET A 24 -10.082 7.506 0.556 1.00 21.22 C ATOM 370 C MET A 24 -8.570 7.212 0.433 1.00 14.32 C ATOM 371 O MET A 24 -7.739 7.965 0.951 1.00 1.44 O ATOM 372 CB MET A 24 -10.754 7.625 -0.834 1.00 43.54 C ATOM 373 CG MET A 24 -12.293 7.522 -0.816 1.00 22.30 C ATOM 374 SD MET A 24 -13.105 8.880 0.055 1.00 34.10 S ATOM 375 CE MET A 24 -12.539 10.289 -0.896 1.00 63.44 C ATOM 0 HA MET A 24 -10.540 6.667 1.080 1.00 21.22 H new ATOM 0 HB2 MET A 24 -10.472 8.580 -1.278 1.00 43.54 H new ATOM 0 HB3 MET A 24 -10.358 6.843 -1.482 1.00 43.54 H new ATOM 0 HG2 MET A 24 -12.658 7.492 -1.843 1.00 22.30 H new ATOM 0 HG3 MET A 24 -12.579 6.580 -0.348 1.00 22.30 H new ATOM 0 HE1 MET A 24 -13.195 11.140 -0.712 1.00 63.44 H new ATOM 0 HE2 MET A 24 -11.522 10.544 -0.598 1.00 63.44 H new ATOM 0 HE3 MET A 24 -12.555 10.042 -1.957 1.00 63.44 H new ATOM 385 N GLY A 25 -8.224 6.073 -0.202 1.00 25.50 N ATOM 386 CA GLY A 25 -6.827 5.582 -0.240 1.00 61.51 C ATOM 387 C GLY A 25 -6.467 4.840 1.043 1.00 43.12 C ATOM 388 O GLY A 25 -5.846 3.788 1.009 1.00 64.31 O ATOM 0 H GLY A 25 -8.889 5.476 -0.694 1.00 25.50 H new ATOM 0 HA2 GLY A 25 -6.695 4.919 -1.095 1.00 61.51 H new ATOM 0 HA3 GLY A 25 -6.147 6.422 -0.380 1.00 61.51 H new ATOM 392 N ARG A 26 -6.879 5.425 2.179 1.00 23.34 N ATOM 393 CA ARG A 26 -6.835 4.811 3.514 1.00 61.02 C ATOM 394 C ARG A 26 -7.615 3.478 3.514 1.00 20.13 C ATOM 395 O ARG A 26 -7.181 2.489 4.118 1.00 3.21 O ATOM 396 CB ARG A 26 -7.445 5.819 4.535 1.00 61.24 C ATOM 397 CG ARG A 26 -6.961 5.651 5.983 1.00 34.24 C ATOM 398 CD ARG A 26 -7.690 6.601 6.953 1.00 61.24 C ATOM 399 NE ARG A 26 -7.676 8.006 6.496 1.00 21.23 N ATOM 400 CZ ARG A 26 -7.018 9.019 7.083 1.00 51.45 C ATOM 401 NH1 ARG A 26 -6.289 8.826 8.179 1.00 14.50 N ATOM 402 NH2 ARG A 26 -7.109 10.232 6.569 1.00 22.31 N ATOM 0 H ARG A 26 -7.264 6.369 2.193 1.00 23.34 H new ATOM 0 HA ARG A 26 -5.806 4.588 3.795 1.00 61.02 H new ATOM 0 HB2 ARG A 26 -7.213 6.832 4.206 1.00 61.24 H new ATOM 0 HB3 ARG A 26 -8.530 5.719 4.517 1.00 61.24 H new ATOM 0 HG2 ARG A 26 -7.118 4.620 6.300 1.00 34.24 H new ATOM 0 HG3 ARG A 26 -5.888 5.839 6.030 1.00 34.24 H new ATOM 0 HD2 ARG A 26 -8.723 6.272 7.070 1.00 61.24 H new ATOM 0 HD3 ARG A 26 -7.223 6.539 7.936 1.00 61.24 H new ATOM 0 HE ARG A 26 -8.215 8.227 5.659 1.00 21.23 H new ATOM 0 HH11 ARG A 26 -6.222 7.895 8.589 1.00 14.50 H new ATOM 0 HH12 ARG A 26 -5.797 9.609 8.609 1.00 14.50 H new ATOM 0 HH21 ARG A 26 -7.674 10.391 5.735 1.00 22.31 H new ATOM 0 HH22 ARG A 26 -6.614 11.009 7.006 1.00 22.31 H new ATOM 416 N ALA A 27 -8.756 3.485 2.786 1.00 70.01 N ATOM 417 CA ALA A 27 -9.586 2.289 2.556 1.00 63.34 C ATOM 418 C ALA A 27 -8.818 1.242 1.730 1.00 5.34 C ATOM 419 O ALA A 27 -8.840 0.056 2.069 1.00 64.14 O ATOM 420 CB ALA A 27 -10.906 2.673 1.864 1.00 72.44 C ATOM 0 H ALA A 27 -9.124 4.326 2.342 1.00 70.01 H new ATOM 0 HA ALA A 27 -9.824 1.846 3.523 1.00 63.34 H new ATOM 0 HB1 ALA A 27 -11.506 1.777 1.702 1.00 72.44 H new ATOM 0 HB2 ALA A 27 -11.458 3.370 2.494 1.00 72.44 H new ATOM 0 HB3 ALA A 27 -10.690 3.144 0.905 1.00 72.44 H new ATOM 426 N LEU A 28 -8.124 1.705 0.655 1.00 0.53 N ATOM 427 CA LEU A 28 -7.274 0.843 -0.208 1.00 42.14 C ATOM 428 C LEU A 28 -6.185 0.135 0.616 1.00 64.12 C ATOM 429 O LEU A 28 -5.904 -1.048 0.402 1.00 72.24 O ATOM 430 CB LEU A 28 -6.596 1.659 -1.351 1.00 23.41 C ATOM 431 CG LEU A 28 -7.486 2.052 -2.558 1.00 14.42 C ATOM 432 CD1 LEU A 28 -6.689 2.897 -3.591 1.00 42.44 C ATOM 433 CD2 LEU A 28 -8.141 0.813 -3.205 1.00 32.01 C ATOM 0 H LEU A 28 -8.139 2.683 0.364 1.00 0.53 H new ATOM 0 HA LEU A 28 -7.935 0.099 -0.652 1.00 42.14 H new ATOM 0 HB2 LEU A 28 -6.188 2.573 -0.919 1.00 23.41 H new ATOM 0 HB3 LEU A 28 -5.752 1.080 -1.726 1.00 23.41 H new ATOM 0 HG LEU A 28 -8.296 2.679 -2.185 1.00 14.42 H new ATOM 0 HD11 LEU A 28 -7.339 3.158 -4.426 1.00 42.44 H new ATOM 0 HD12 LEU A 28 -6.327 3.808 -3.114 1.00 42.44 H new ATOM 0 HD13 LEU A 28 -5.841 2.318 -3.958 1.00 42.44 H new ATOM 0 HD21 LEU A 28 -8.758 1.126 -4.048 1.00 32.01 H new ATOM 0 HD22 LEU A 28 -7.365 0.133 -3.556 1.00 32.01 H new ATOM 0 HD23 LEU A 28 -8.764 0.304 -2.469 1.00 32.01 H new ATOM 445 N TYR A 29 -5.590 0.882 1.559 1.00 45.41 N ATOM 446 CA TYR A 29 -4.517 0.380 2.425 1.00 3.42 C ATOM 447 C TYR A 29 -5.017 -0.800 3.296 1.00 51.55 C ATOM 448 O TYR A 29 -4.309 -1.804 3.454 1.00 50.10 O ATOM 449 CB TYR A 29 -3.964 1.535 3.306 1.00 53.40 C ATOM 450 CG TYR A 29 -2.877 1.093 4.283 1.00 50.13 C ATOM 451 CD1 TYR A 29 -1.709 0.500 3.814 1.00 33.30 C ATOM 452 CD2 TYR A 29 -3.033 1.210 5.669 1.00 70.11 C ATOM 453 CE1 TYR A 29 -0.741 0.048 4.674 1.00 64.52 C ATOM 454 CE2 TYR A 29 -2.062 0.744 6.530 1.00 5.42 C ATOM 455 CZ TYR A 29 -0.924 0.168 6.027 1.00 14.43 C ATOM 456 OH TYR A 29 0.020 -0.327 6.885 1.00 10.01 O ATOM 0 H TYR A 29 -5.842 1.854 1.741 1.00 45.41 H new ATOM 0 HA TYR A 29 -3.707 0.004 1.800 1.00 3.42 H new ATOM 0 HB2 TYR A 29 -3.563 2.315 2.658 1.00 53.40 H new ATOM 0 HB3 TYR A 29 -4.787 1.978 3.867 1.00 53.40 H new ATOM 0 HD1 TYR A 29 -1.561 0.393 2.749 1.00 33.30 H new ATOM 0 HD2 TYR A 29 -3.924 1.671 6.069 1.00 70.11 H new ATOM 0 HE1 TYR A 29 0.162 -0.401 4.287 1.00 64.52 H new ATOM 0 HE2 TYR A 29 -2.198 0.832 7.598 1.00 5.42 H new ATOM 0 HH TYR A 29 0.758 -0.716 6.371 1.00 10.01 H new ATOM 466 N ASN A 30 -6.249 -0.659 3.837 1.00 41.03 N ATOM 467 CA ASN A 30 -6.901 -1.711 4.652 1.00 63.40 C ATOM 468 C ASN A 30 -7.164 -2.972 3.814 1.00 14.20 C ATOM 469 O ASN A 30 -6.957 -4.094 4.294 1.00 75.05 O ATOM 470 CB ASN A 30 -8.230 -1.204 5.272 1.00 71.55 C ATOM 471 CG ASN A 30 -8.072 0.007 6.198 1.00 1.42 C ATOM 472 OD1 ASN A 30 -8.955 0.859 6.261 1.00 33.21 O ATOM 473 ND2 ASN A 30 -6.974 0.075 6.956 1.00 11.40 N ATOM 0 H ASN A 30 -6.816 0.181 3.722 1.00 41.03 H new ATOM 0 HA ASN A 30 -6.217 -1.963 5.462 1.00 63.40 H new ATOM 0 HB2 ASN A 30 -8.917 -0.944 4.467 1.00 71.55 H new ATOM 0 HB3 ASN A 30 -8.690 -2.018 5.833 1.00 71.55 H new ATOM 0 HD21 ASN A 30 -6.852 0.849 7.609 1.00 11.40 H new ATOM 0 HD22 ASN A 30 -6.258 -0.647 6.882 1.00 11.40 H new ATOM 480 N ILE A 31 -7.591 -2.761 2.545 1.00 50.31 N ATOM 481 CA ILE A 31 -7.827 -3.842 1.569 1.00 50.52 C ATOM 482 C ILE A 31 -6.527 -4.635 1.349 1.00 55.03 C ATOM 483 O ILE A 31 -6.538 -5.868 1.334 1.00 71.21 O ATOM 484 CB ILE A 31 -8.323 -3.256 0.189 1.00 50.15 C ATOM 485 CG1 ILE A 31 -9.660 -2.477 0.358 1.00 53.25 C ATOM 486 CG2 ILE A 31 -8.463 -4.351 -0.886 1.00 71.50 C ATOM 487 CD1 ILE A 31 -10.101 -1.700 -0.871 1.00 54.44 C ATOM 0 H ILE A 31 -7.781 -1.831 2.173 1.00 50.31 H new ATOM 0 HA ILE A 31 -8.600 -4.500 1.966 1.00 50.52 H new ATOM 0 HB ILE A 31 -7.559 -2.558 -0.153 1.00 50.15 H new ATOM 0 HG12 ILE A 31 -10.445 -3.184 0.626 1.00 53.25 H new ATOM 0 HG13 ILE A 31 -9.558 -1.783 1.193 1.00 53.25 H new ATOM 0 HG21 ILE A 31 -8.806 -3.903 -1.819 1.00 71.50 H new ATOM 0 HG22 ILE A 31 -7.496 -4.829 -1.047 1.00 71.50 H new ATOM 0 HG23 ILE A 31 -9.185 -5.097 -0.554 1.00 71.50 H new ATOM 0 HD11 ILE A 31 -11.041 -1.189 -0.661 1.00 54.44 H new ATOM 0 HD12 ILE A 31 -9.339 -0.965 -1.130 1.00 54.44 H new ATOM 0 HD13 ILE A 31 -10.240 -2.387 -1.705 1.00 54.44 H new ATOM 499 N GLY A 32 -5.414 -3.887 1.224 1.00 43.31 N ATOM 500 CA GLY A 32 -4.092 -4.464 1.016 1.00 2.40 C ATOM 501 C GLY A 32 -3.643 -5.354 2.163 1.00 12.12 C ATOM 502 O GLY A 32 -3.164 -6.460 1.937 1.00 71.12 O ATOM 0 H GLY A 32 -5.417 -2.868 1.266 1.00 43.31 H new ATOM 0 HA2 GLY A 32 -4.097 -5.045 0.094 1.00 2.40 H new ATOM 0 HA3 GLY A 32 -3.368 -3.660 0.883 1.00 2.40 H new ATOM 506 N LEU A 33 -3.824 -4.866 3.404 1.00 74.44 N ATOM 507 CA LEU A 33 -3.483 -5.620 4.631 1.00 10.12 C ATOM 508 C LEU A 33 -4.259 -6.959 4.677 1.00 64.41 C ATOM 509 O LEU A 33 -3.715 -8.000 5.056 1.00 54.03 O ATOM 510 CB LEU A 33 -3.790 -4.752 5.885 1.00 43.22 C ATOM 511 CG LEU A 33 -2.921 -3.457 6.051 1.00 73.14 C ATOM 512 CD1 LEU A 33 -3.439 -2.575 7.210 1.00 73.21 C ATOM 513 CD2 LEU A 33 -1.424 -3.798 6.241 1.00 43.03 C ATOM 0 H LEU A 33 -4.210 -3.940 3.587 1.00 74.44 H new ATOM 0 HA LEU A 33 -2.418 -5.852 4.623 1.00 10.12 H new ATOM 0 HB2 LEU A 33 -4.840 -4.460 5.853 1.00 43.22 H new ATOM 0 HB3 LEU A 33 -3.658 -5.371 6.773 1.00 43.22 H new ATOM 0 HG LEU A 33 -3.015 -2.885 5.128 1.00 73.14 H new ATOM 0 HD11 LEU A 33 -2.815 -1.686 7.298 1.00 73.21 H new ATOM 0 HD12 LEU A 33 -4.468 -2.277 7.009 1.00 73.21 H new ATOM 0 HD13 LEU A 33 -3.400 -3.139 8.142 1.00 73.21 H new ATOM 0 HD21 LEU A 33 -0.852 -2.877 6.353 1.00 43.03 H new ATOM 0 HD22 LEU A 33 -1.301 -4.412 7.133 1.00 43.03 H new ATOM 0 HD23 LEU A 33 -1.062 -4.346 5.371 1.00 43.03 H new ATOM 525 N GLU A 34 -5.526 -6.901 4.224 1.00 51.12 N ATOM 526 CA GLU A 34 -6.439 -8.057 4.169 1.00 52.31 C ATOM 527 C GLU A 34 -6.065 -9.052 3.036 1.00 0.41 C ATOM 528 O GLU A 34 -6.269 -10.264 3.187 1.00 54.54 O ATOM 529 CB GLU A 34 -7.886 -7.544 3.991 1.00 74.33 C ATOM 530 CG GLU A 34 -8.463 -6.753 5.183 1.00 21.54 C ATOM 531 CD GLU A 34 -8.797 -7.635 6.396 1.00 72.15 C ATOM 532 OE1 GLU A 34 -7.922 -7.855 7.261 1.00 61.52 O ATOM 533 OE2 GLU A 34 -9.942 -8.133 6.484 1.00 71.40 O ATOM 0 H GLU A 34 -5.949 -6.038 3.882 1.00 51.12 H new ATOM 0 HA GLU A 34 -6.351 -8.609 5.105 1.00 52.31 H new ATOM 0 HB2 GLU A 34 -7.921 -6.909 3.105 1.00 74.33 H new ATOM 0 HB3 GLU A 34 -8.534 -8.398 3.797 1.00 74.33 H new ATOM 0 HG2 GLU A 34 -7.746 -5.990 5.485 1.00 21.54 H new ATOM 0 HG3 GLU A 34 -9.365 -6.233 4.862 1.00 21.54 H new ATOM 540 N LYS A 35 -5.531 -8.532 1.913 1.00 72.34 N ATOM 541 CA LYS A 35 -5.061 -9.366 0.776 1.00 74.41 C ATOM 542 C LYS A 35 -3.796 -10.150 1.181 1.00 52.25 C ATOM 543 O LYS A 35 -3.689 -11.360 0.930 1.00 15.01 O ATOM 544 CB LYS A 35 -4.759 -8.482 -0.468 1.00 33.12 C ATOM 545 CG LYS A 35 -5.980 -7.817 -1.130 1.00 40.00 C ATOM 546 CD LYS A 35 -6.874 -8.814 -1.904 1.00 0.12 C ATOM 547 CE LYS A 35 -7.986 -8.103 -2.698 1.00 3.13 C ATOM 548 NZ LYS A 35 -8.751 -9.036 -3.567 1.00 65.01 N ATOM 0 H LYS A 35 -5.412 -7.530 1.764 1.00 72.34 H new ATOM 0 HA LYS A 35 -5.852 -10.070 0.518 1.00 74.41 H new ATOM 0 HB2 LYS A 35 -4.059 -7.700 -0.173 1.00 33.12 H new ATOM 0 HB3 LYS A 35 -4.255 -9.097 -1.214 1.00 33.12 H new ATOM 0 HG2 LYS A 35 -6.577 -7.324 -0.363 1.00 40.00 H new ATOM 0 HG3 LYS A 35 -5.636 -7.041 -1.814 1.00 40.00 H new ATOM 0 HD2 LYS A 35 -6.257 -9.397 -2.588 1.00 0.12 H new ATOM 0 HD3 LYS A 35 -7.323 -9.517 -1.202 1.00 0.12 H new ATOM 0 HE2 LYS A 35 -8.670 -7.616 -2.003 1.00 3.13 H new ATOM 0 HE3 LYS A 35 -7.544 -7.319 -3.313 1.00 3.13 H new ATOM 0 HZ1 LYS A 35 -9.140 -8.515 -4.378 1.00 65.01 H new ATOM 0 HZ2 LYS A 35 -8.120 -9.788 -3.909 1.00 65.01 H new ATOM 0 HZ3 LYS A 35 -9.529 -9.459 -3.022 1.00 65.01 H new ATOM 562 N ASN A 36 -2.863 -9.423 1.828 1.00 11.22 N ATOM 563 CA ASN A 36 -1.593 -9.971 2.361 1.00 41.43 C ATOM 564 C ASN A 36 -1.896 -11.041 3.429 1.00 10.11 C ATOM 565 O ASN A 36 -1.195 -12.049 3.540 1.00 52.52 O ATOM 566 CB ASN A 36 -0.736 -8.809 2.973 1.00 2.13 C ATOM 567 CG ASN A 36 0.747 -9.150 3.204 1.00 54.21 C ATOM 568 OD1 ASN A 36 1.145 -10.307 3.310 1.00 60.05 O ATOM 569 ND2 ASN A 36 1.578 -8.123 3.318 1.00 63.10 N ATOM 0 H ASN A 36 -2.969 -8.423 1.999 1.00 11.22 H new ATOM 0 HA ASN A 36 -1.027 -10.436 1.554 1.00 41.43 H new ATOM 0 HB2 ASN A 36 -0.796 -7.945 2.311 1.00 2.13 H new ATOM 0 HB3 ASN A 36 -1.178 -8.513 3.924 1.00 2.13 H new ATOM 0 HD21 ASN A 36 2.569 -8.286 3.497 1.00 63.10 H new ATOM 0 HD22 ASN A 36 1.226 -7.170 3.226 1.00 63.10 H new ATOM 576 N LYS A 37 -2.979 -10.791 4.187 1.00 14.41 N ATOM 577 CA LYS A 37 -3.479 -11.671 5.257 1.00 5.33 C ATOM 578 C LYS A 37 -3.914 -13.047 4.706 1.00 25.41 C ATOM 579 O LYS A 37 -3.712 -14.071 5.363 1.00 40.35 O ATOM 580 CB LYS A 37 -4.644 -10.940 6.003 1.00 32.12 C ATOM 581 CG LYS A 37 -5.296 -11.677 7.221 1.00 21.43 C ATOM 582 CD LYS A 37 -6.533 -12.540 6.850 1.00 55.30 C ATOM 583 CE LYS A 37 -7.684 -11.714 6.244 1.00 24.45 C ATOM 584 NZ LYS A 37 -8.217 -10.701 7.190 1.00 63.13 N ATOM 0 H LYS A 37 -3.544 -9.950 4.069 1.00 14.41 H new ATOM 0 HA LYS A 37 -2.676 -11.874 5.966 1.00 5.33 H new ATOM 0 HB2 LYS A 37 -4.268 -9.979 6.353 1.00 32.12 H new ATOM 0 HB3 LYS A 37 -5.429 -10.730 5.277 1.00 32.12 H new ATOM 0 HG2 LYS A 37 -4.547 -12.316 7.689 1.00 21.43 H new ATOM 0 HG3 LYS A 37 -5.592 -10.937 7.964 1.00 21.43 H new ATOM 0 HD2 LYS A 37 -6.232 -13.310 6.139 1.00 55.30 H new ATOM 0 HD3 LYS A 37 -6.892 -13.053 7.742 1.00 55.30 H new ATOM 0 HE2 LYS A 37 -7.332 -11.214 5.342 1.00 24.45 H new ATOM 0 HE3 LYS A 37 -8.489 -12.385 5.943 1.00 24.45 H new ATOM 0 HZ1 LYS A 37 -9.229 -10.552 7.005 1.00 63.13 H new ATOM 0 HZ2 LYS A 37 -8.089 -11.037 8.166 1.00 63.13 H new ATOM 0 HZ3 LYS A 37 -7.706 -9.804 7.063 1.00 63.13 H new ATOM 598 N MET A 38 -4.510 -13.060 3.496 1.00 64.35 N ATOM 599 CA MET A 38 -4.952 -14.310 2.824 1.00 3.20 C ATOM 600 C MET A 38 -3.788 -15.013 2.104 1.00 10.22 C ATOM 601 O MET A 38 -3.884 -16.198 1.767 1.00 34.33 O ATOM 602 CB MET A 38 -6.071 -14.011 1.796 1.00 15.34 C ATOM 603 CG MET A 38 -7.331 -13.380 2.388 1.00 1.31 C ATOM 604 SD MET A 38 -8.623 -13.123 1.153 1.00 43.32 S ATOM 605 CE MET A 38 -7.759 -12.117 -0.051 1.00 72.32 C ATOM 0 H MET A 38 -4.699 -12.215 2.957 1.00 64.35 H new ATOM 0 HA MET A 38 -5.332 -14.971 3.603 1.00 3.20 H new ATOM 0 HB2 MET A 38 -5.673 -13.345 1.030 1.00 15.34 H new ATOM 0 HB3 MET A 38 -6.346 -14.941 1.298 1.00 15.34 H new ATOM 0 HG2 MET A 38 -7.715 -14.020 3.182 1.00 1.31 H new ATOM 0 HG3 MET A 38 -7.074 -12.424 2.845 1.00 1.31 H new ATOM 0 HE1 MET A 38 -8.426 -11.893 -0.884 1.00 72.32 H new ATOM 0 HE2 MET A 38 -7.437 -11.187 0.416 1.00 72.32 H new ATOM 0 HE3 MET A 38 -6.888 -12.659 -0.420 1.00 72.32 H new ATOM 615 N GLY A 39 -2.707 -14.260 1.845 1.00 72.31 N ATOM 616 CA GLY A 39 -1.538 -14.785 1.146 1.00 41.30 C ATOM 617 C GLY A 39 -1.294 -14.081 -0.179 1.00 52.21 C ATOM 618 O GLY A 39 -0.156 -14.039 -0.647 1.00 63.41 O ATOM 0 H GLY A 39 -2.625 -13.280 2.114 1.00 72.31 H new ATOM 0 HA2 GLY A 39 -0.658 -14.675 1.780 1.00 41.30 H new ATOM 0 HA3 GLY A 39 -1.672 -15.852 0.969 1.00 41.30 H new ATOM 622 N LYS A 40 -2.364 -13.523 -0.787 1.00 72.04 N ATOM 623 CA LYS A 40 -2.264 -12.793 -2.068 1.00 52.41 C ATOM 624 C LYS A 40 -1.667 -11.394 -1.847 1.00 11.00 C ATOM 625 O LYS A 40 -2.362 -10.367 -1.884 1.00 43.55 O ATOM 626 CB LYS A 40 -3.643 -12.722 -2.779 1.00 41.42 C ATOM 627 CG LYS A 40 -4.179 -14.101 -3.237 1.00 51.44 C ATOM 628 CD LYS A 40 -5.511 -13.998 -4.011 1.00 12.13 C ATOM 629 CE LYS A 40 -6.659 -13.481 -3.137 1.00 74.55 C ATOM 630 NZ LYS A 40 -7.856 -13.148 -3.948 1.00 42.43 N ATOM 0 H LYS A 40 -3.310 -13.565 -0.408 1.00 72.04 H new ATOM 0 HA LYS A 40 -1.590 -13.342 -2.725 1.00 52.41 H new ATOM 0 HB2 LYS A 40 -4.367 -12.267 -2.103 1.00 41.42 H new ATOM 0 HB3 LYS A 40 -3.561 -12.067 -3.647 1.00 41.42 H new ATOM 0 HG2 LYS A 40 -3.433 -14.584 -3.869 1.00 51.44 H new ATOM 0 HG3 LYS A 40 -4.319 -14.739 -2.365 1.00 51.44 H new ATOM 0 HD2 LYS A 40 -5.381 -13.333 -4.865 1.00 12.13 H new ATOM 0 HD3 LYS A 40 -5.774 -14.979 -4.408 1.00 12.13 H new ATOM 0 HE2 LYS A 40 -6.920 -14.235 -2.395 1.00 74.55 H new ATOM 0 HE3 LYS A 40 -6.331 -12.596 -2.591 1.00 74.55 H new ATOM 0 HZ1 LYS A 40 -8.678 -13.031 -3.322 1.00 42.43 H new ATOM 0 HZ2 LYS A 40 -7.688 -12.263 -4.468 1.00 42.43 H new ATOM 0 HZ3 LYS A 40 -8.042 -13.916 -4.624 1.00 42.43 H new ATOM 644 N ALA A 41 -0.352 -11.385 -1.604 1.00 14.02 N ATOM 645 CA ALA A 41 0.399 -10.184 -1.254 1.00 1.00 C ATOM 646 C ALA A 41 0.791 -9.374 -2.503 1.00 25.54 C ATOM 647 O ALA A 41 1.330 -8.276 -2.373 1.00 3.43 O ATOM 648 CB ALA A 41 1.620 -10.578 -0.422 1.00 51.54 C ATOM 0 H ALA A 41 0.224 -12.225 -1.647 1.00 14.02 H new ATOM 0 HA ALA A 41 -0.236 -9.530 -0.656 1.00 1.00 H new ATOM 0 HB1 ALA A 41 2.184 -9.684 -0.158 1.00 51.54 H new ATOM 0 HB2 ALA A 41 1.293 -11.082 0.487 1.00 51.54 H new ATOM 0 HB3 ALA A 41 2.254 -11.249 -1.001 1.00 51.54 H new ATOM 654 N ARG A 42 0.522 -9.926 -3.704 1.00 3.51 N ATOM 655 CA ARG A 42 0.710 -9.208 -4.979 1.00 2.21 C ATOM 656 C ARG A 42 -0.375 -8.138 -5.158 1.00 15.14 C ATOM 657 O ARG A 42 -0.062 -6.979 -5.479 1.00 34.23 O ATOM 658 CB ARG A 42 0.730 -10.187 -6.168 1.00 12.43 C ATOM 659 CG ARG A 42 0.841 -9.487 -7.537 1.00 40.13 C ATOM 660 CD ARG A 42 1.395 -10.399 -8.620 1.00 35.10 C ATOM 661 NE ARG A 42 0.604 -11.633 -8.825 1.00 1.30 N ATOM 662 CZ ARG A 42 0.636 -12.405 -9.931 1.00 1.11 C ATOM 663 NH1 ARG A 42 1.395 -12.077 -10.973 1.00 22.30 N ATOM 664 NH2 ARG A 42 -0.080 -13.522 -9.975 1.00 63.33 N ATOM 0 H ARG A 42 0.170 -10.877 -3.816 1.00 3.51 H new ATOM 0 HA ARG A 42 1.678 -8.707 -4.950 1.00 2.21 H new ATOM 0 HB2 ARG A 42 1.569 -10.873 -6.050 1.00 12.43 H new ATOM 0 HB3 ARG A 42 -0.179 -10.789 -6.149 1.00 12.43 H new ATOM 0 HG2 ARG A 42 -0.143 -9.129 -7.838 1.00 40.13 H new ATOM 0 HG3 ARG A 42 1.483 -8.611 -7.442 1.00 40.13 H new ATOM 0 HD2 ARG A 42 1.439 -9.847 -9.559 1.00 35.10 H new ATOM 0 HD3 ARG A 42 2.418 -10.673 -8.363 1.00 35.10 H new ATOM 0 HE ARG A 42 -0.016 -11.923 -8.069 1.00 1.30 H new ATOM 0 HH11 ARG A 42 1.964 -11.231 -10.943 1.00 22.30 H new ATOM 0 HH12 ARG A 42 1.408 -12.671 -11.802 1.00 22.30 H new ATOM 0 HH21 ARG A 42 -0.651 -13.793 -9.175 1.00 63.33 H new ATOM 0 HH22 ARG A 42 -0.059 -14.109 -10.809 1.00 63.33 H new ATOM 678 N GLU A 43 -1.649 -8.536 -4.923 1.00 33.33 N ATOM 679 CA GLU A 43 -2.778 -7.587 -4.885 1.00 33.10 C ATOM 680 C GLU A 43 -2.538 -6.555 -3.777 1.00 32.33 C ATOM 681 O GLU A 43 -2.701 -5.353 -3.995 1.00 13.22 O ATOM 682 CB GLU A 43 -4.135 -8.299 -4.641 1.00 21.31 C ATOM 683 CG GLU A 43 -4.569 -9.293 -5.731 1.00 0.15 C ATOM 684 CD GLU A 43 -6.039 -9.722 -5.575 1.00 40.43 C ATOM 685 OE1 GLU A 43 -6.324 -10.680 -4.827 1.00 54.34 O ATOM 686 OE2 GLU A 43 -6.927 -9.069 -6.166 1.00 60.03 O ATOM 0 H GLU A 43 -1.916 -9.507 -4.758 1.00 33.33 H new ATOM 0 HA GLU A 43 -2.832 -7.098 -5.858 1.00 33.10 H new ATOM 0 HB2 GLU A 43 -4.080 -8.830 -3.691 1.00 21.31 H new ATOM 0 HB3 GLU A 43 -4.910 -7.540 -4.538 1.00 21.31 H new ATOM 0 HG2 GLU A 43 -4.427 -8.839 -6.712 1.00 0.15 H new ATOM 0 HG3 GLU A 43 -3.929 -10.174 -5.692 1.00 0.15 H new ATOM 693 N ALA A 44 -2.102 -7.064 -2.605 1.00 11.22 N ATOM 694 CA ALA A 44 -1.774 -6.241 -1.429 1.00 44.52 C ATOM 695 C ALA A 44 -0.772 -5.140 -1.769 1.00 20.14 C ATOM 696 O ALA A 44 -0.994 -3.978 -1.431 1.00 21.22 O ATOM 697 CB ALA A 44 -1.210 -7.114 -0.316 1.00 74.22 C ATOM 0 H ALA A 44 -1.968 -8.063 -2.451 1.00 11.22 H new ATOM 0 HA ALA A 44 -2.698 -5.768 -1.095 1.00 44.52 H new ATOM 0 HB1 ALA A 44 -0.972 -6.493 0.548 1.00 74.22 H new ATOM 0 HB2 ALA A 44 -1.949 -7.863 -0.032 1.00 74.22 H new ATOM 0 HB3 ALA A 44 -0.305 -7.611 -0.666 1.00 74.22 H new ATOM 703 N ALA A 45 0.299 -5.538 -2.474 1.00 74.44 N ATOM 704 CA ALA A 45 1.390 -4.641 -2.880 1.00 64.02 C ATOM 705 C ALA A 45 0.865 -3.479 -3.745 1.00 44.05 C ATOM 706 O ALA A 45 1.329 -2.337 -3.606 1.00 42.30 O ATOM 707 CB ALA A 45 2.468 -5.437 -3.626 1.00 24.21 C ATOM 0 H ALA A 45 0.432 -6.502 -2.781 1.00 74.44 H new ATOM 0 HA ALA A 45 1.832 -4.205 -1.984 1.00 64.02 H new ATOM 0 HB1 ALA A 45 3.274 -4.767 -3.924 1.00 24.21 H new ATOM 0 HB2 ALA A 45 2.865 -6.213 -2.972 1.00 24.21 H new ATOM 0 HB3 ALA A 45 2.032 -5.897 -4.513 1.00 24.21 H new ATOM 713 N GLU A 46 -0.122 -3.792 -4.624 1.00 62.25 N ATOM 714 CA GLU A 46 -0.806 -2.782 -5.462 1.00 50.03 C ATOM 715 C GLU A 46 -1.591 -1.800 -4.591 1.00 41.23 C ATOM 716 O GLU A 46 -1.438 -0.596 -4.732 1.00 1.54 O ATOM 717 CB GLU A 46 -1.765 -3.441 -6.485 1.00 72.44 C ATOM 718 CG GLU A 46 -1.085 -4.349 -7.521 1.00 25.12 C ATOM 719 CD GLU A 46 -2.098 -4.954 -8.508 1.00 52.23 C ATOM 720 OE1 GLU A 46 -2.874 -5.847 -8.094 1.00 30.54 O ATOM 721 OE2 GLU A 46 -2.154 -4.513 -9.680 1.00 4.12 O ATOM 0 H GLU A 46 -0.461 -4.743 -4.768 1.00 62.25 H new ATOM 0 HA GLU A 46 -0.033 -2.244 -6.011 1.00 50.03 H new ATOM 0 HB2 GLU A 46 -2.505 -4.027 -5.941 1.00 72.44 H new ATOM 0 HB3 GLU A 46 -2.306 -2.655 -7.012 1.00 72.44 H new ATOM 0 HG2 GLU A 46 -0.339 -3.776 -8.072 1.00 25.12 H new ATOM 0 HG3 GLU A 46 -0.555 -5.151 -7.008 1.00 25.12 H new ATOM 728 N TYR A 47 -2.415 -2.338 -3.674 1.00 11.30 N ATOM 729 CA TYR A 47 -3.287 -1.522 -2.803 1.00 50.12 C ATOM 730 C TYR A 47 -2.478 -0.615 -1.865 1.00 5.33 C ATOM 731 O TYR A 47 -2.927 0.480 -1.531 1.00 51.35 O ATOM 732 CB TYR A 47 -4.244 -2.420 -1.989 1.00 73.23 C ATOM 733 CG TYR A 47 -5.324 -3.107 -2.829 1.00 11.50 C ATOM 734 CD1 TYR A 47 -6.332 -2.362 -3.448 1.00 70.14 C ATOM 735 CD2 TYR A 47 -5.352 -4.487 -2.996 1.00 53.03 C ATOM 736 CE1 TYR A 47 -7.314 -2.972 -4.198 1.00 3.45 C ATOM 737 CE2 TYR A 47 -6.332 -5.098 -3.746 1.00 32.12 C ATOM 738 CZ TYR A 47 -7.309 -4.342 -4.346 1.00 33.31 C ATOM 739 OH TYR A 47 -8.291 -4.960 -5.081 1.00 4.14 O ATOM 0 H TYR A 47 -2.497 -3.342 -3.515 1.00 11.30 H new ATOM 0 HA TYR A 47 -3.877 -0.878 -3.455 1.00 50.12 H new ATOM 0 HB2 TYR A 47 -3.659 -3.183 -1.474 1.00 73.23 H new ATOM 0 HB3 TYR A 47 -4.726 -1.816 -1.221 1.00 73.23 H new ATOM 0 HD1 TYR A 47 -6.341 -1.288 -3.336 1.00 70.14 H new ATOM 0 HD2 TYR A 47 -4.590 -5.092 -2.528 1.00 53.03 H new ATOM 0 HE1 TYR A 47 -8.084 -2.379 -4.668 1.00 3.45 H new ATOM 0 HE2 TYR A 47 -6.332 -6.172 -3.862 1.00 32.12 H new ATOM 0 HH TYR A 47 -8.137 -5.928 -5.085 1.00 4.14 H new ATOM 749 N PHE A 48 -1.287 -1.087 -1.455 1.00 3.50 N ATOM 750 CA PHE A 48 -0.347 -0.297 -0.642 1.00 14.44 C ATOM 751 C PHE A 48 0.244 0.843 -1.477 1.00 60.15 C ATOM 752 O PHE A 48 0.369 1.970 -1.005 1.00 74.45 O ATOM 753 CB PHE A 48 0.801 -1.189 -0.091 1.00 13.43 C ATOM 754 CG PHE A 48 0.369 -2.276 0.889 1.00 75.34 C ATOM 755 CD1 PHE A 48 -0.676 -2.057 1.777 1.00 10.52 C ATOM 756 CD2 PHE A 48 1.023 -3.509 0.939 1.00 74.21 C ATOM 757 CE1 PHE A 48 -1.055 -3.022 2.676 1.00 61.55 C ATOM 758 CE2 PHE A 48 0.637 -4.482 1.844 1.00 71.31 C ATOM 759 CZ PHE A 48 -0.400 -4.238 2.712 1.00 52.24 C ATOM 0 H PHE A 48 -0.951 -2.024 -1.677 1.00 3.50 H new ATOM 0 HA PHE A 48 -0.899 0.118 0.201 1.00 14.44 H new ATOM 0 HB2 PHE A 48 1.307 -1.662 -0.933 1.00 13.43 H new ATOM 0 HB3 PHE A 48 1.532 -0.548 0.402 1.00 13.43 H new ATOM 0 HD1 PHE A 48 -1.199 -1.112 1.760 1.00 10.52 H new ATOM 0 HD2 PHE A 48 1.841 -3.706 0.262 1.00 74.21 H new ATOM 0 HE1 PHE A 48 -1.869 -2.830 3.359 1.00 61.55 H new ATOM 0 HE2 PHE A 48 1.150 -5.432 1.868 1.00 71.31 H new ATOM 0 HZ PHE A 48 -0.702 -4.995 3.421 1.00 52.24 H new ATOM 769 N PHE A 49 0.599 0.518 -2.726 1.00 52.23 N ATOM 770 CA PHE A 49 1.222 1.462 -3.660 1.00 64.33 C ATOM 771 C PHE A 49 0.251 2.584 -4.059 1.00 31.43 C ATOM 772 O PHE A 49 0.605 3.763 -4.035 1.00 12.45 O ATOM 773 CB PHE A 49 1.723 0.713 -4.917 1.00 43.34 C ATOM 774 CG PHE A 49 2.485 1.591 -5.900 1.00 40.53 C ATOM 775 CD1 PHE A 49 3.581 2.328 -5.467 1.00 30.20 C ATOM 776 CD2 PHE A 49 2.120 1.683 -7.248 1.00 4.33 C ATOM 777 CE1 PHE A 49 4.283 3.115 -6.340 1.00 1.10 C ATOM 778 CE2 PHE A 49 2.836 2.479 -8.126 1.00 61.44 C ATOM 779 CZ PHE A 49 3.921 3.199 -7.666 1.00 21.11 C ATOM 0 H PHE A 49 0.461 -0.413 -3.119 1.00 52.23 H new ATOM 0 HA PHE A 49 2.071 1.923 -3.155 1.00 64.33 H new ATOM 0 HB2 PHE A 49 2.368 -0.109 -4.605 1.00 43.34 H new ATOM 0 HB3 PHE A 49 0.868 0.271 -5.428 1.00 43.34 H new ATOM 0 HD1 PHE A 49 3.882 2.279 -4.431 1.00 30.20 H new ATOM 0 HD2 PHE A 49 1.268 1.125 -7.608 1.00 4.33 H new ATOM 0 HE1 PHE A 49 5.133 3.678 -5.984 1.00 1.10 H new ATOM 0 HE2 PHE A 49 2.547 2.537 -9.165 1.00 61.44 H new ATOM 0 HZ PHE A 49 4.483 3.825 -8.343 1.00 21.11 H new ATOM 789 N ARG A 50 -0.978 2.188 -4.410 1.00 43.20 N ATOM 790 CA ARG A 50 -2.022 3.101 -4.900 1.00 63.23 C ATOM 791 C ARG A 50 -2.563 3.953 -3.748 1.00 72.43 C ATOM 792 O ARG A 50 -2.927 5.111 -3.956 1.00 73.51 O ATOM 793 CB ARG A 50 -3.144 2.287 -5.595 1.00 12.22 C ATOM 794 CG ARG A 50 -2.642 1.442 -6.794 1.00 14.03 C ATOM 795 CD ARG A 50 -3.743 0.571 -7.421 1.00 71.25 C ATOM 796 NE ARG A 50 -4.813 1.388 -8.014 1.00 32.23 N ATOM 797 CZ ARG A 50 -5.017 1.580 -9.327 1.00 14.50 C ATOM 798 NH1 ARG A 50 -4.228 1.020 -10.244 1.00 42.43 N ATOM 799 NH2 ARG A 50 -6.025 2.340 -9.709 1.00 41.13 N ATOM 0 H ARG A 50 -1.281 1.215 -4.362 1.00 43.20 H new ATOM 0 HA ARG A 50 -1.597 3.783 -5.637 1.00 63.23 H new ATOM 0 HB2 ARG A 50 -3.609 1.626 -4.864 1.00 12.22 H new ATOM 0 HB3 ARG A 50 -3.918 2.972 -5.942 1.00 12.22 H new ATOM 0 HG2 ARG A 50 -2.236 2.108 -7.555 1.00 14.03 H new ATOM 0 HG3 ARG A 50 -1.825 0.801 -6.462 1.00 14.03 H new ATOM 0 HD2 ARG A 50 -3.307 -0.070 -8.188 1.00 71.25 H new ATOM 0 HD3 ARG A 50 -4.166 -0.085 -6.660 1.00 71.25 H new ATOM 0 HE ARG A 50 -5.457 1.849 -7.371 1.00 32.23 H new ATOM 0 HH11 ARG A 50 -3.448 0.430 -9.954 1.00 42.43 H new ATOM 0 HH12 ARG A 50 -4.404 1.181 -11.236 1.00 42.43 H new ATOM 0 HH21 ARG A 50 -6.633 2.770 -9.012 1.00 41.13 H new ATOM 0 HH22 ARG A 50 -6.197 2.498 -10.702 1.00 41.13 H new ATOM 813 N ALA A 51 -2.577 3.373 -2.527 1.00 24.44 N ATOM 814 CA ALA A 51 -2.864 4.126 -1.294 1.00 63.23 C ATOM 815 C ALA A 51 -1.783 5.194 -1.093 1.00 31.32 C ATOM 816 O ALA A 51 -2.099 6.357 -0.870 1.00 75.13 O ATOM 817 CB ALA A 51 -2.918 3.189 -0.080 1.00 42.00 C ATOM 0 H ALA A 51 -2.392 2.382 -2.373 1.00 24.44 H new ATOM 0 HA ALA A 51 -3.838 4.605 -1.390 1.00 63.23 H new ATOM 0 HB1 ALA A 51 -3.131 3.769 0.818 1.00 42.00 H new ATOM 0 HB2 ALA A 51 -3.703 2.447 -0.228 1.00 42.00 H new ATOM 0 HB3 ALA A 51 -1.958 2.685 0.033 1.00 42.00 H new ATOM 823 N ALA A 52 -0.509 4.770 -1.247 1.00 45.31 N ATOM 824 CA ALA A 52 0.674 5.646 -1.096 1.00 55.44 C ATOM 825 C ALA A 52 0.650 6.812 -2.102 1.00 15.51 C ATOM 826 O ALA A 52 1.123 7.903 -1.792 1.00 41.41 O ATOM 827 CB ALA A 52 1.974 4.835 -1.248 1.00 45.54 C ATOM 0 H ALA A 52 -0.272 3.806 -1.481 1.00 45.31 H new ATOM 0 HA ALA A 52 0.640 6.071 -0.093 1.00 55.44 H new ATOM 0 HB1 ALA A 52 2.832 5.498 -1.134 1.00 45.54 H new ATOM 0 HB2 ALA A 52 2.010 4.059 -0.483 1.00 45.54 H new ATOM 0 HB3 ALA A 52 2.001 4.373 -2.235 1.00 45.54 H new ATOM 833 N ILE A 53 0.088 6.556 -3.308 1.00 42.42 N ATOM 834 CA ILE A 53 -0.110 7.584 -4.352 1.00 22.52 C ATOM 835 C ILE A 53 -1.156 8.625 -3.890 1.00 52.24 C ATOM 836 O ILE A 53 -0.900 9.828 -3.968 1.00 3.11 O ATOM 837 CB ILE A 53 -0.550 6.936 -5.733 1.00 14.45 C ATOM 838 CG1 ILE A 53 0.575 6.015 -6.305 1.00 74.31 C ATOM 839 CG2 ILE A 53 -0.940 8.010 -6.783 1.00 4.52 C ATOM 840 CD1 ILE A 53 0.180 5.182 -7.515 1.00 65.04 C ATOM 0 H ILE A 53 -0.240 5.630 -3.582 1.00 42.42 H new ATOM 0 HA ILE A 53 0.845 8.085 -4.509 1.00 22.52 H new ATOM 0 HB ILE A 53 -1.433 6.331 -5.528 1.00 14.45 H new ATOM 0 HG12 ILE A 53 1.428 6.637 -6.575 1.00 74.31 H new ATOM 0 HG13 ILE A 53 0.908 5.343 -5.515 1.00 74.31 H new ATOM 0 HG21 ILE A 53 -1.234 7.521 -7.712 1.00 4.52 H new ATOM 0 HG22 ILE A 53 -1.773 8.602 -6.405 1.00 4.52 H new ATOM 0 HG23 ILE A 53 -0.087 8.662 -6.971 1.00 4.52 H new ATOM 0 HD11 ILE A 53 1.030 4.579 -7.834 1.00 65.04 H new ATOM 0 HD12 ILE A 53 -0.651 4.528 -7.251 1.00 65.04 H new ATOM 0 HD13 ILE A 53 -0.122 5.842 -8.328 1.00 65.04 H new ATOM 852 N VAL A 54 -2.323 8.146 -3.389 1.00 60.05 N ATOM 853 CA VAL A 54 -3.416 9.029 -2.902 1.00 42.50 C ATOM 854 C VAL A 54 -2.921 9.905 -1.724 1.00 34.25 C ATOM 855 O VAL A 54 -3.188 11.113 -1.678 1.00 42.13 O ATOM 856 CB VAL A 54 -4.695 8.205 -2.470 1.00 2.33 C ATOM 857 CG1 VAL A 54 -5.832 9.124 -1.944 1.00 40.51 C ATOM 858 CG2 VAL A 54 -5.205 7.320 -3.633 1.00 3.35 C ATOM 0 H VAL A 54 -2.532 7.151 -3.311 1.00 60.05 H new ATOM 0 HA VAL A 54 -3.705 9.674 -3.732 1.00 42.50 H new ATOM 0 HB VAL A 54 -4.392 7.557 -1.648 1.00 2.33 H new ATOM 0 HG11 VAL A 54 -6.690 8.515 -1.659 1.00 40.51 H new ATOM 0 HG12 VAL A 54 -5.478 9.680 -1.076 1.00 40.51 H new ATOM 0 HG13 VAL A 54 -6.127 9.822 -2.727 1.00 40.51 H new ATOM 0 HG21 VAL A 54 -6.085 6.764 -3.309 1.00 3.35 H new ATOM 0 HG22 VAL A 54 -5.467 7.951 -4.482 1.00 3.35 H new ATOM 0 HG23 VAL A 54 -4.423 6.621 -3.928 1.00 3.35 H new ATOM 868 N PHE A 55 -2.153 9.278 -0.806 1.00 73.21 N ATOM 869 CA PHE A 55 -1.562 9.963 0.361 1.00 45.22 C ATOM 870 C PHE A 55 -0.481 10.966 -0.061 1.00 60.34 C ATOM 871 O PHE A 55 -0.347 12.015 0.555 1.00 13.34 O ATOM 872 CB PHE A 55 -0.959 8.948 1.367 1.00 63.35 C ATOM 873 CG PHE A 55 -1.996 8.108 2.115 1.00 72.41 C ATOM 874 CD1 PHE A 55 -3.018 8.721 2.846 1.00 30.13 C ATOM 875 CD2 PHE A 55 -1.937 6.712 2.113 1.00 62.50 C ATOM 876 CE1 PHE A 55 -3.936 7.961 3.548 1.00 34.23 C ATOM 877 CE2 PHE A 55 -2.855 5.957 2.811 1.00 54.01 C ATOM 878 CZ PHE A 55 -3.852 6.583 3.526 1.00 54.34 C ATOM 0 H PHE A 55 -1.927 8.285 -0.854 1.00 73.21 H new ATOM 0 HA PHE A 55 -2.372 10.506 0.848 1.00 45.22 H new ATOM 0 HB2 PHE A 55 -0.286 8.279 0.830 1.00 63.35 H new ATOM 0 HB3 PHE A 55 -0.356 9.491 2.095 1.00 63.35 H new ATOM 0 HD1 PHE A 55 -3.091 9.798 2.863 1.00 30.13 H new ATOM 0 HD2 PHE A 55 -1.158 6.215 1.554 1.00 62.50 H new ATOM 0 HE1 PHE A 55 -4.718 8.445 4.113 1.00 34.23 H new ATOM 0 HE2 PHE A 55 -2.793 4.879 2.797 1.00 54.01 H new ATOM 0 HZ PHE A 55 -4.572 5.992 4.073 1.00 54.34 H new ATOM 888 N TYR A 56 0.292 10.618 -1.105 1.00 42.22 N ATOM 889 CA TYR A 56 1.373 11.484 -1.621 1.00 61.44 C ATOM 890 C TYR A 56 0.794 12.770 -2.260 1.00 42.14 C ATOM 891 O TYR A 56 1.368 13.858 -2.113 1.00 41.15 O ATOM 892 CB TYR A 56 2.252 10.705 -2.635 1.00 12.21 C ATOM 893 CG TYR A 56 3.355 11.554 -3.269 1.00 13.43 C ATOM 894 CD1 TYR A 56 4.508 11.902 -2.554 1.00 24.42 C ATOM 895 CD2 TYR A 56 3.230 12.049 -4.568 1.00 2.44 C ATOM 896 CE1 TYR A 56 5.485 12.699 -3.118 1.00 14.31 C ATOM 897 CE2 TYR A 56 4.196 12.849 -5.124 1.00 41.53 C ATOM 898 CZ TYR A 56 5.321 13.175 -4.404 1.00 35.32 C ATOM 899 OH TYR A 56 6.278 13.991 -4.966 1.00 20.30 O ATOM 0 H TYR A 56 0.189 9.739 -1.612 1.00 42.22 H new ATOM 0 HA TYR A 56 2.002 11.785 -0.783 1.00 61.44 H new ATOM 0 HB2 TYR A 56 2.706 9.853 -2.130 1.00 12.21 H new ATOM 0 HB3 TYR A 56 1.614 10.305 -3.423 1.00 12.21 H new ATOM 0 HD1 TYR A 56 4.635 11.541 -1.544 1.00 24.42 H new ATOM 0 HD2 TYR A 56 2.354 11.797 -5.148 1.00 2.44 H new ATOM 0 HE1 TYR A 56 6.373 12.949 -2.556 1.00 14.31 H new ATOM 0 HE2 TYR A 56 4.072 13.223 -6.129 1.00 41.53 H new ATOM 0 HH TYR A 56 6.007 14.235 -5.876 1.00 20.30 H new ATOM 909 N LYS A 57 -0.323 12.617 -2.989 1.00 41.22 N ATOM 910 CA LYS A 57 -1.137 13.748 -3.501 1.00 31.24 C ATOM 911 C LYS A 57 -1.561 14.692 -2.371 1.00 10.44 C ATOM 912 O LYS A 57 -1.490 15.912 -2.512 1.00 70.21 O ATOM 913 CB LYS A 57 -2.404 13.224 -4.220 1.00 21.44 C ATOM 914 CG LYS A 57 -2.105 12.389 -5.468 1.00 32.32 C ATOM 915 CD LYS A 57 -3.373 11.793 -6.122 1.00 41.13 C ATOM 916 CE LYS A 57 -3.050 10.985 -7.391 1.00 13.24 C ATOM 917 NZ LYS A 57 -2.361 11.798 -8.423 1.00 54.35 N ATOM 0 H LYS A 57 -0.695 11.702 -3.245 1.00 41.22 H new ATOM 0 HA LYS A 57 -0.514 14.300 -4.205 1.00 31.24 H new ATOM 0 HB2 LYS A 57 -2.984 12.621 -3.521 1.00 21.44 H new ATOM 0 HB3 LYS A 57 -3.027 14.072 -4.503 1.00 21.44 H new ATOM 0 HG2 LYS A 57 -1.586 13.011 -6.197 1.00 32.32 H new ATOM 0 HG3 LYS A 57 -1.427 11.578 -5.201 1.00 32.32 H new ATOM 0 HD2 LYS A 57 -3.882 11.150 -5.404 1.00 41.13 H new ATOM 0 HD3 LYS A 57 -4.063 12.599 -6.373 1.00 41.13 H new ATOM 0 HE2 LYS A 57 -2.423 10.134 -7.126 1.00 13.24 H new ATOM 0 HE3 LYS A 57 -3.974 10.583 -7.807 1.00 13.24 H new ATOM 0 HZ1 LYS A 57 -2.332 11.270 -9.319 1.00 54.35 H new ATOM 0 HZ2 LYS A 57 -2.877 12.690 -8.563 1.00 54.35 H new ATOM 0 HZ3 LYS A 57 -1.390 12.004 -8.111 1.00 54.35 H new ATOM 931 N GLU A 58 -1.995 14.100 -1.246 1.00 3.15 N ATOM 932 CA GLU A 58 -2.419 14.853 -0.059 1.00 25.14 C ATOM 933 C GLU A 58 -1.207 15.276 0.793 1.00 13.25 C ATOM 934 O GLU A 58 -1.352 16.041 1.751 1.00 54.45 O ATOM 935 CB GLU A 58 -3.418 13.995 0.771 1.00 54.44 C ATOM 936 CG GLU A 58 -4.641 13.497 -0.029 1.00 42.35 C ATOM 937 CD GLU A 58 -5.521 14.626 -0.602 1.00 71.43 C ATOM 938 OE1 GLU A 58 -6.469 15.069 0.089 1.00 64.34 O ATOM 939 OE2 GLU A 58 -5.279 15.072 -1.750 1.00 4.50 O ATOM 0 H GLU A 58 -2.061 13.088 -1.136 1.00 3.15 H new ATOM 0 HA GLU A 58 -2.920 15.766 -0.380 1.00 25.14 H new ATOM 0 HB2 GLU A 58 -2.889 13.133 1.178 1.00 54.44 H new ATOM 0 HB3 GLU A 58 -3.768 14.584 1.619 1.00 54.44 H new ATOM 0 HG2 GLU A 58 -4.294 12.870 -0.850 1.00 42.35 H new ATOM 0 HG3 GLU A 58 -5.252 12.867 0.617 1.00 42.35 H new ATOM 946 N HIS A 59 -0.020 14.743 0.414 1.00 64.24 N ATOM 947 CA HIS A 59 1.281 14.980 1.078 1.00 4.02 C ATOM 948 C HIS A 59 1.260 14.521 2.545 1.00 41.15 C ATOM 949 O HIS A 59 2.067 14.962 3.369 1.00 42.01 O ATOM 950 CB HIS A 59 1.743 16.454 0.900 1.00 23.41 C ATOM 951 CG HIS A 59 1.979 16.810 -0.543 1.00 65.44 C ATOM 952 ND1 HIS A 59 3.143 16.510 -1.218 1.00 71.21 N ATOM 953 CD2 HIS A 59 1.167 17.391 -1.457 1.00 30.52 C ATOM 954 CE1 HIS A 59 3.038 16.899 -2.472 1.00 71.22 C ATOM 955 NE2 HIS A 59 1.848 17.433 -2.644 1.00 73.42 N ATOM 0 H HIS A 59 0.059 14.117 -0.387 1.00 64.24 H new ATOM 0 HA HIS A 59 2.032 14.363 0.585 1.00 4.02 H new ATOM 0 HB2 HIS A 59 0.989 17.121 1.318 1.00 23.41 H new ATOM 0 HB3 HIS A 59 2.660 16.615 1.466 1.00 23.41 H new ATOM 0 HD1 HIS A 59 3.960 16.056 -0.809 1.00 71.21 H new ATOM 0 HD2 HIS A 59 0.165 17.755 -1.282 1.00 30.52 H new ATOM 0 HE1 HIS A 59 3.800 16.797 -3.231 1.00 71.22 H new ATOM 964 N ASP A 60 0.360 13.559 2.818 1.00 11.22 N ATOM 965 CA ASP A 60 0.185 12.937 4.122 1.00 52.23 C ATOM 966 C ASP A 60 1.277 11.874 4.297 1.00 10.14 C ATOM 967 O ASP A 60 1.132 10.722 3.848 1.00 71.42 O ATOM 968 CB ASP A 60 -1.235 12.312 4.218 1.00 51.43 C ATOM 969 CG ASP A 60 -1.591 11.851 5.642 1.00 32.43 C ATOM 970 OD1 ASP A 60 -1.281 10.699 6.017 1.00 31.32 O ATOM 971 OD2 ASP A 60 -2.174 12.655 6.401 1.00 50.02 O ATOM 0 H ASP A 60 -0.277 13.190 2.112 1.00 11.22 H new ATOM 0 HA ASP A 60 0.275 13.676 4.919 1.00 52.23 H new ATOM 0 HB2 ASP A 60 -1.971 13.043 3.883 1.00 51.43 H new ATOM 0 HB3 ASP A 60 -1.299 11.461 3.540 1.00 51.43 H new ATOM 976 N THR A 61 2.392 12.303 4.907 1.00 41.53 N ATOM 977 CA THR A 61 3.598 11.490 5.064 1.00 44.32 C ATOM 978 C THR A 61 3.373 10.245 5.927 1.00 32.54 C ATOM 979 O THR A 61 4.070 9.262 5.745 1.00 35.05 O ATOM 980 CB THR A 61 4.770 12.334 5.658 1.00 32.32 C ATOM 981 OG1 THR A 61 4.306 13.105 6.784 1.00 42.23 O ATOM 982 CG2 THR A 61 5.377 13.274 4.619 1.00 22.13 C ATOM 0 H THR A 61 2.478 13.237 5.309 1.00 41.53 H new ATOM 0 HA THR A 61 3.862 11.151 4.062 1.00 44.32 H new ATOM 0 HB THR A 61 5.543 11.635 5.978 1.00 32.32 H new ATOM 0 HG1 THR A 61 5.049 13.629 7.150 1.00 42.23 H new ATOM 0 HG21 THR A 61 6.189 13.843 5.073 1.00 22.13 H new ATOM 0 HG22 THR A 61 5.765 12.691 3.784 1.00 22.13 H new ATOM 0 HG23 THR A 61 4.611 13.960 4.258 1.00 22.13 H new ATOM 990 N ASP A 62 2.396 10.306 6.845 1.00 74.50 N ATOM 991 CA ASP A 62 2.101 9.199 7.777 1.00 21.31 C ATOM 992 C ASP A 62 1.499 8.005 7.025 1.00 1.12 C ATOM 993 O ASP A 62 1.911 6.863 7.234 1.00 63.23 O ATOM 994 CB ASP A 62 1.145 9.672 8.898 1.00 54.45 C ATOM 995 CG ASP A 62 0.813 8.557 9.909 1.00 14.03 C ATOM 996 OD1 ASP A 62 1.665 8.255 10.776 1.00 21.22 O ATOM 997 OD2 ASP A 62 -0.278 7.958 9.828 1.00 53.40 O ATOM 0 H ASP A 62 1.790 11.118 6.964 1.00 74.50 H new ATOM 0 HA ASP A 62 3.037 8.879 8.235 1.00 21.31 H new ATOM 0 HB2 ASP A 62 1.598 10.511 9.425 1.00 54.45 H new ATOM 0 HB3 ASP A 62 0.221 10.038 8.451 1.00 54.45 H new ATOM 1002 N GLY A 63 0.535 8.298 6.137 1.00 72.10 N ATOM 1003 CA GLY A 63 -0.119 7.272 5.325 1.00 70.12 C ATOM 1004 C GLY A 63 0.803 6.708 4.256 1.00 50.52 C ATOM 1005 O GLY A 63 0.788 5.507 3.991 1.00 12.24 O ATOM 0 H GLY A 63 0.193 9.244 5.966 1.00 72.10 H new ATOM 0 HA2 GLY A 63 -0.460 6.463 5.971 1.00 70.12 H new ATOM 0 HA3 GLY A 63 -1.004 7.696 4.851 1.00 70.12 H new ATOM 1009 N LEU A 64 1.600 7.602 3.646 1.00 42.22 N ATOM 1010 CA LEU A 64 2.648 7.251 2.664 1.00 34.10 C ATOM 1011 C LEU A 64 3.697 6.299 3.302 1.00 1.32 C ATOM 1012 O LEU A 64 4.101 5.297 2.705 1.00 62.33 O ATOM 1013 CB LEU A 64 3.316 8.563 2.167 1.00 24.14 C ATOM 1014 CG LEU A 64 4.526 8.430 1.188 1.00 63.21 C ATOM 1015 CD1 LEU A 64 4.128 7.746 -0.137 1.00 60.40 C ATOM 1016 CD2 LEU A 64 5.189 9.808 0.942 1.00 72.40 C ATOM 0 H LEU A 64 1.536 8.605 3.822 1.00 42.22 H new ATOM 0 HA LEU A 64 2.204 6.726 1.818 1.00 34.10 H new ATOM 0 HB2 LEU A 64 2.551 9.165 1.677 1.00 24.14 H new ATOM 0 HB3 LEU A 64 3.650 9.122 3.041 1.00 24.14 H new ATOM 0 HG LEU A 64 5.262 7.782 1.664 1.00 63.21 H new ATOM 0 HD11 LEU A 64 5.001 7.675 -0.786 1.00 60.40 H new ATOM 0 HD12 LEU A 64 3.747 6.746 0.070 1.00 60.40 H new ATOM 0 HD13 LEU A 64 3.354 8.333 -0.632 1.00 60.40 H new ATOM 0 HD21 LEU A 64 6.029 9.691 0.257 1.00 72.40 H new ATOM 0 HD22 LEU A 64 4.459 10.491 0.507 1.00 72.40 H new ATOM 0 HD23 LEU A 64 5.546 10.214 1.888 1.00 72.40 H new ATOM 1028 N ARG A 65 4.079 6.638 4.540 1.00 53.53 N ATOM 1029 CA ARG A 65 5.043 5.883 5.376 1.00 0.02 C ATOM 1030 C ARG A 65 4.475 4.513 5.762 1.00 64.32 C ATOM 1031 O ARG A 65 5.175 3.504 5.699 1.00 12.04 O ATOM 1032 CB ARG A 65 5.331 6.732 6.641 1.00 43.44 C ATOM 1033 CG ARG A 65 6.207 6.116 7.742 1.00 64.41 C ATOM 1034 CD ARG A 65 6.291 7.050 8.970 1.00 13.34 C ATOM 1035 NE ARG A 65 7.059 6.459 10.074 1.00 35.32 N ATOM 1036 CZ ARG A 65 7.166 6.979 11.306 1.00 45.42 C ATOM 1037 NH1 ARG A 65 6.546 8.111 11.634 1.00 73.41 N ATOM 1038 NH2 ARG A 65 7.909 6.359 12.208 1.00 4.44 N ATOM 0 H ARG A 65 3.719 7.469 5.009 1.00 53.53 H new ATOM 0 HA ARG A 65 5.964 5.704 4.821 1.00 0.02 H new ATOM 0 HB2 ARG A 65 5.804 7.660 6.319 1.00 43.44 H new ATOM 0 HB3 ARG A 65 4.374 7.000 7.088 1.00 43.44 H new ATOM 0 HG2 ARG A 65 5.796 5.152 8.041 1.00 64.41 H new ATOM 0 HG3 ARG A 65 7.208 5.929 7.353 1.00 64.41 H new ATOM 0 HD2 ARG A 65 6.752 7.993 8.675 1.00 13.34 H new ATOM 0 HD3 ARG A 65 5.284 7.282 9.316 1.00 13.34 H new ATOM 0 HE ARG A 65 7.550 5.584 9.889 1.00 35.32 H new ATOM 0 HH11 ARG A 65 5.977 8.599 10.943 1.00 73.41 H new ATOM 0 HH12 ARG A 65 6.640 8.490 12.576 1.00 73.41 H new ATOM 0 HH21 ARG A 65 8.393 5.495 11.963 1.00 4.44 H new ATOM 0 HH22 ARG A 65 7.998 6.745 13.148 1.00 4.44 H new ATOM 1052 N ARG A 66 3.185 4.508 6.138 1.00 41.13 N ATOM 1053 CA ARG A 66 2.453 3.300 6.575 1.00 73.24 C ATOM 1054 C ARG A 66 2.333 2.297 5.405 1.00 23.24 C ATOM 1055 O ARG A 66 2.525 1.086 5.580 1.00 1.15 O ATOM 1056 CB ARG A 66 1.024 3.700 7.121 1.00 61.13 C ATOM 1057 CG ARG A 66 0.756 3.361 8.605 1.00 25.31 C ATOM 1058 CD ARG A 66 0.850 1.857 8.887 1.00 12.31 C ATOM 1059 NE ARG A 66 0.496 1.488 10.264 1.00 32.31 N ATOM 1060 CZ ARG A 66 -0.048 0.316 10.627 1.00 42.23 C ATOM 1061 NH1 ARG A 66 -0.316 -0.632 9.725 1.00 3.21 N ATOM 1062 NH2 ARG A 66 -0.290 0.088 11.905 1.00 12.42 N ATOM 0 H ARG A 66 2.611 5.351 6.148 1.00 41.13 H new ATOM 0 HA ARG A 66 3.007 2.820 7.381 1.00 73.24 H new ATOM 0 HB2 ARG A 66 0.889 4.773 6.982 1.00 61.13 H new ATOM 0 HB3 ARG A 66 0.270 3.202 6.511 1.00 61.13 H new ATOM 0 HG2 ARG A 66 1.474 3.891 9.231 1.00 25.31 H new ATOM 0 HG3 ARG A 66 -0.235 3.719 8.883 1.00 25.31 H new ATOM 0 HD2 ARG A 66 0.193 1.326 8.198 1.00 12.31 H new ATOM 0 HD3 ARG A 66 1.866 1.521 8.681 1.00 12.31 H new ATOM 0 HE ARG A 66 0.677 2.173 10.998 1.00 32.31 H new ATOM 0 HH11 ARG A 66 -0.107 -0.472 8.740 1.00 3.21 H new ATOM 0 HH12 ARG A 66 -0.730 -1.516 10.022 1.00 3.21 H new ATOM 0 HH21 ARG A 66 -0.064 0.798 12.601 1.00 12.42 H new ATOM 0 HH22 ARG A 66 -0.703 -0.798 12.196 1.00 12.42 H new ATOM 1076 N ALA A 67 2.023 2.841 4.217 1.00 32.54 N ATOM 1077 CA ALA A 67 1.811 2.069 2.988 1.00 1.21 C ATOM 1078 C ALA A 67 3.136 1.495 2.458 1.00 70.12 C ATOM 1079 O ALA A 67 3.180 0.343 2.034 1.00 4.13 O ATOM 1080 CB ALA A 67 1.123 2.955 1.944 1.00 24.20 C ATOM 0 H ALA A 67 1.912 3.846 4.084 1.00 32.54 H new ATOM 0 HA ALA A 67 1.164 1.219 3.206 1.00 1.21 H new ATOM 0 HB1 ALA A 67 0.964 2.383 1.030 1.00 24.20 H new ATOM 0 HB2 ALA A 67 0.162 3.294 2.331 1.00 24.20 H new ATOM 0 HB3 ALA A 67 1.752 3.818 1.728 1.00 24.20 H new ATOM 1086 N ALA A 68 4.207 2.315 2.515 1.00 52.45 N ATOM 1087 CA ALA A 68 5.569 1.928 2.071 1.00 44.03 C ATOM 1088 C ALA A 68 6.160 0.821 2.973 1.00 4.11 C ATOM 1089 O ALA A 68 6.811 -0.118 2.486 1.00 25.15 O ATOM 1090 CB ALA A 68 6.498 3.160 2.058 1.00 12.25 C ATOM 0 H ALA A 68 4.154 3.269 2.872 1.00 52.45 H new ATOM 0 HA ALA A 68 5.492 1.531 1.059 1.00 44.03 H new ATOM 0 HB1 ALA A 68 7.494 2.861 1.730 1.00 12.25 H new ATOM 0 HB2 ALA A 68 6.100 3.909 1.373 1.00 12.25 H new ATOM 0 HB3 ALA A 68 6.557 3.581 3.061 1.00 12.25 H new ATOM 1096 N LYS A 69 5.906 0.958 4.291 1.00 14.23 N ATOM 1097 CA LYS A 69 6.371 0.018 5.336 1.00 4.44 C ATOM 1098 C LYS A 69 5.779 -1.388 5.085 1.00 72.42 C ATOM 1099 O LYS A 69 6.490 -2.390 5.136 1.00 35.11 O ATOM 1100 CB LYS A 69 5.967 0.588 6.743 1.00 31.32 C ATOM 1101 CG LYS A 69 6.695 -0.012 7.978 1.00 13.33 C ATOM 1102 CD LYS A 69 6.150 -1.385 8.425 1.00 51.04 C ATOM 1103 CE LYS A 69 6.909 -1.952 9.631 1.00 13.22 C ATOM 1104 NZ LYS A 69 6.364 -3.270 10.050 1.00 41.45 N ATOM 0 H LYS A 69 5.364 1.736 4.666 1.00 14.23 H new ATOM 0 HA LYS A 69 7.456 -0.082 5.305 1.00 4.44 H new ATOM 0 HB2 LYS A 69 6.141 1.664 6.736 1.00 31.32 H new ATOM 0 HB3 LYS A 69 4.895 0.439 6.875 1.00 31.32 H new ATOM 0 HG2 LYS A 69 7.756 -0.112 7.748 1.00 13.33 H new ATOM 0 HG3 LYS A 69 6.613 0.688 8.810 1.00 13.33 H new ATOM 0 HD2 LYS A 69 5.094 -1.289 8.677 1.00 51.04 H new ATOM 0 HD3 LYS A 69 6.217 -2.087 7.594 1.00 51.04 H new ATOM 0 HE2 LYS A 69 7.965 -2.057 9.381 1.00 13.22 H new ATOM 0 HE3 LYS A 69 6.847 -1.251 10.463 1.00 13.22 H new ATOM 0 HZ1 LYS A 69 6.574 -3.429 11.056 1.00 41.45 H new ATOM 0 HZ2 LYS A 69 5.334 -3.282 9.905 1.00 41.45 H new ATOM 0 HZ3 LYS A 69 6.802 -4.023 9.482 1.00 41.45 H new ATOM 1118 N SER A 70 4.470 -1.429 4.806 1.00 71.44 N ATOM 1119 CA SER A 70 3.741 -2.677 4.521 1.00 61.11 C ATOM 1120 C SER A 70 4.023 -3.211 3.096 1.00 52.34 C ATOM 1121 O SER A 70 3.952 -4.425 2.873 1.00 41.35 O ATOM 1122 CB SER A 70 2.237 -2.436 4.732 1.00 62.54 C ATOM 1123 OG SER A 70 1.981 -1.983 6.047 1.00 0.13 O ATOM 0 H SER A 70 3.882 -0.596 4.771 1.00 71.44 H new ATOM 0 HA SER A 70 4.092 -3.446 5.209 1.00 61.11 H new ATOM 0 HB2 SER A 70 1.877 -1.700 4.013 1.00 62.54 H new ATOM 0 HB3 SER A 70 1.687 -3.358 4.547 1.00 62.54 H new ATOM 0 HG SER A 70 1.382 -2.613 6.499 1.00 0.13 H new ATOM 1129 N LEU A 71 4.323 -2.290 2.144 1.00 43.35 N ATOM 1130 CA LEU A 71 4.538 -2.623 0.710 1.00 4.52 C ATOM 1131 C LEU A 71 5.701 -3.613 0.570 1.00 71.24 C ATOM 1132 O LEU A 71 5.549 -4.679 -0.027 1.00 20.54 O ATOM 1133 CB LEU A 71 4.801 -1.327 -0.140 1.00 43.34 C ATOM 1134 CG LEU A 71 4.208 -1.299 -1.595 1.00 74.22 C ATOM 1135 CD1 LEU A 71 4.399 0.088 -2.222 1.00 33.10 C ATOM 1136 CD2 LEU A 71 4.776 -2.408 -2.512 1.00 14.14 C ATOM 0 H LEU A 71 4.423 -1.296 2.348 1.00 43.35 H new ATOM 0 HA LEU A 71 3.632 -3.090 0.325 1.00 4.52 H new ATOM 0 HB2 LEU A 71 4.398 -0.475 0.407 1.00 43.34 H new ATOM 0 HB3 LEU A 71 5.879 -1.180 -0.210 1.00 43.34 H new ATOM 0 HG LEU A 71 3.142 -1.507 -1.502 1.00 74.22 H new ATOM 0 HD11 LEU A 71 3.983 0.092 -3.230 1.00 33.10 H new ATOM 0 HD12 LEU A 71 3.887 0.835 -1.615 1.00 33.10 H new ATOM 0 HD13 LEU A 71 5.462 0.324 -2.267 1.00 33.10 H new ATOM 0 HD21 LEU A 71 4.324 -2.330 -3.501 1.00 14.14 H new ATOM 0 HD22 LEU A 71 5.856 -2.292 -2.597 1.00 14.14 H new ATOM 0 HD23 LEU A 71 4.549 -3.385 -2.085 1.00 14.14 H new ATOM 1148 N LYS A 72 6.838 -3.247 1.174 1.00 65.44 N ATOM 1149 CA LYS A 72 8.082 -4.036 1.111 1.00 5.23 C ATOM 1150 C LYS A 72 7.906 -5.442 1.743 1.00 11.14 C ATOM 1151 O LYS A 72 8.454 -6.436 1.240 1.00 72.35 O ATOM 1152 CB LYS A 72 9.235 -3.254 1.799 1.00 1.33 C ATOM 1153 CG LYS A 72 9.031 -2.993 3.312 1.00 74.23 C ATOM 1154 CD LYS A 72 10.200 -2.230 3.978 1.00 30.22 C ATOM 1155 CE LYS A 72 11.558 -2.929 3.798 1.00 43.43 C ATOM 1156 NZ LYS A 72 11.540 -4.344 4.253 1.00 3.31 N ATOM 0 H LYS A 72 6.925 -2.392 1.723 1.00 65.44 H new ATOM 0 HA LYS A 72 8.335 -4.191 0.062 1.00 5.23 H new ATOM 0 HB2 LYS A 72 10.163 -3.809 1.662 1.00 1.33 H new ATOM 0 HB3 LYS A 72 9.358 -2.297 1.293 1.00 1.33 H new ATOM 0 HG2 LYS A 72 8.112 -2.424 3.452 1.00 74.23 H new ATOM 0 HG3 LYS A 72 8.896 -3.948 3.821 1.00 74.23 H new ATOM 0 HD2 LYS A 72 10.257 -1.226 3.558 1.00 30.22 H new ATOM 0 HD3 LYS A 72 9.994 -2.119 5.043 1.00 30.22 H new ATOM 0 HE2 LYS A 72 11.844 -2.893 2.747 1.00 43.43 H new ATOM 0 HE3 LYS A 72 12.320 -2.383 4.354 1.00 43.43 H new ATOM 0 HZ1 LYS A 72 12.502 -4.736 4.205 1.00 3.31 H new ATOM 0 HZ2 LYS A 72 11.197 -4.389 5.234 1.00 3.31 H new ATOM 0 HZ3 LYS A 72 10.909 -4.898 3.639 1.00 3.31 H new ATOM 1170 N GLU A 73 7.116 -5.509 2.835 1.00 23.44 N ATOM 1171 CA GLU A 73 6.862 -6.756 3.592 1.00 22.42 C ATOM 1172 C GLU A 73 5.850 -7.654 2.858 1.00 50.10 C ATOM 1173 O GLU A 73 5.825 -8.875 3.063 1.00 64.40 O ATOM 1174 CB GLU A 73 6.370 -6.400 5.016 1.00 74.34 C ATOM 1175 CG GLU A 73 7.354 -5.504 5.809 1.00 23.34 C ATOM 1176 CD GLU A 73 6.843 -5.112 7.210 1.00 10.11 C ATOM 1177 OE1 GLU A 73 5.688 -4.640 7.326 1.00 2.44 O ATOM 1178 OE2 GLU A 73 7.593 -5.250 8.203 1.00 32.42 O ATOM 0 H GLU A 73 6.634 -4.697 3.219 1.00 23.44 H new ATOM 0 HA GLU A 73 7.791 -7.321 3.671 1.00 22.42 H new ATOM 0 HB2 GLU A 73 5.409 -5.892 4.942 1.00 74.34 H new ATOM 0 HB3 GLU A 73 6.201 -7.321 5.574 1.00 74.34 H new ATOM 0 HG2 GLU A 73 8.305 -6.026 5.912 1.00 23.34 H new ATOM 0 HG3 GLU A 73 7.549 -4.597 5.236 1.00 23.34 H new ATOM 1185 N ALA A 74 5.020 -7.025 2.002 1.00 73.01 N ATOM 1186 CA ALA A 74 4.104 -7.746 1.106 1.00 1.10 C ATOM 1187 C ALA A 74 4.892 -8.487 0.018 1.00 41.40 C ATOM 1188 O ALA A 74 4.565 -9.615 -0.319 1.00 54.24 O ATOM 1189 CB ALA A 74 3.089 -6.783 0.476 1.00 11.33 C ATOM 0 H ALA A 74 4.968 -6.010 1.915 1.00 73.01 H new ATOM 0 HA ALA A 74 3.555 -8.480 1.696 1.00 1.10 H new ATOM 0 HB1 ALA A 74 2.421 -7.338 -0.183 1.00 11.33 H new ATOM 0 HB2 ALA A 74 2.506 -6.303 1.262 1.00 11.33 H new ATOM 0 HB3 ALA A 74 3.617 -6.023 -0.099 1.00 11.33 H new ATOM 1195 N ILE A 75 5.960 -7.847 -0.491 1.00 25.13 N ATOM 1196 CA ILE A 75 6.780 -8.375 -1.604 1.00 41.41 C ATOM 1197 C ILE A 75 7.516 -9.666 -1.207 1.00 43.01 C ATOM 1198 O ILE A 75 7.566 -10.633 -1.981 1.00 52.45 O ATOM 1199 CB ILE A 75 7.794 -7.298 -2.107 1.00 14.31 C ATOM 1200 CG1 ILE A 75 7.033 -5.999 -2.505 1.00 12.54 C ATOM 1201 CG2 ILE A 75 8.637 -7.828 -3.296 1.00 31.13 C ATOM 1202 CD1 ILE A 75 7.926 -4.805 -2.683 1.00 2.00 C ATOM 0 H ILE A 75 6.283 -6.944 -0.142 1.00 25.13 H new ATOM 0 HA ILE A 75 6.100 -8.620 -2.420 1.00 41.41 H new ATOM 0 HB ILE A 75 8.483 -7.070 -1.294 1.00 14.31 H new ATOM 0 HG12 ILE A 75 6.490 -6.177 -3.433 1.00 12.54 H new ATOM 0 HG13 ILE A 75 6.290 -5.775 -1.739 1.00 12.54 H new ATOM 0 HG21 ILE A 75 9.332 -7.055 -3.622 1.00 31.13 H new ATOM 0 HG22 ILE A 75 9.196 -8.709 -2.981 1.00 31.13 H new ATOM 0 HG23 ILE A 75 7.976 -8.093 -4.121 1.00 31.13 H new ATOM 0 HD11 ILE A 75 7.325 -3.939 -2.959 1.00 2.00 H new ATOM 0 HD12 ILE A 75 8.450 -4.600 -1.749 1.00 2.00 H new ATOM 0 HD13 ILE A 75 8.653 -5.008 -3.470 1.00 2.00 H new ATOM 1214 N THR A 76 8.056 -9.676 0.018 1.00 0.42 N ATOM 1215 CA THR A 76 8.712 -10.857 0.596 1.00 34.32 C ATOM 1216 C THR A 76 7.692 -11.965 0.942 1.00 62.15 C ATOM 1217 O THR A 76 8.072 -13.115 1.177 1.00 72.42 O ATOM 1218 CB THR A 76 9.548 -10.449 1.856 1.00 3.21 C ATOM 1219 OG1 THR A 76 8.800 -9.510 2.659 1.00 23.21 O ATOM 1220 CG2 THR A 76 10.895 -9.817 1.467 1.00 13.32 C ATOM 0 H THR A 76 8.051 -8.865 0.637 1.00 0.42 H new ATOM 0 HA THR A 76 9.388 -11.267 -0.154 1.00 34.32 H new ATOM 0 HB THR A 76 9.747 -11.357 2.425 1.00 3.21 H new ATOM 0 HG1 THR A 76 7.841 -9.683 2.556 1.00 23.21 H new ATOM 0 HG21 THR A 76 11.445 -9.548 2.369 1.00 13.32 H new ATOM 0 HG22 THR A 76 11.478 -10.532 0.886 1.00 13.32 H new ATOM 0 HG23 THR A 76 10.718 -8.923 0.870 1.00 13.32 H new ATOM 1228 N ALA A 77 6.397 -11.593 0.966 1.00 60.35 N ATOM 1229 CA ALA A 77 5.281 -12.523 1.211 1.00 53.53 C ATOM 1230 C ALA A 77 4.583 -12.960 -0.098 1.00 55.35 C ATOM 1231 O ALA A 77 3.762 -13.872 -0.061 1.00 44.54 O ATOM 1232 CB ALA A 77 4.268 -11.867 2.164 1.00 52.22 C ATOM 0 H ALA A 77 6.096 -10.630 0.814 1.00 60.35 H new ATOM 0 HA ALA A 77 5.691 -13.424 1.668 1.00 53.53 H new ATOM 0 HB1 ALA A 77 3.442 -12.554 2.346 1.00 52.22 H new ATOM 0 HB2 ALA A 77 4.758 -11.630 3.109 1.00 52.22 H new ATOM 0 HB3 ALA A 77 3.885 -10.951 1.714 1.00 52.22 H new ATOM 1238 N ILE A 78 4.905 -12.296 -1.244 1.00 52.25 N ATOM 1239 CA ILE A 78 4.275 -12.600 -2.562 1.00 23.14 C ATOM 1240 C ILE A 78 4.582 -14.045 -3.008 1.00 25.42 C ATOM 1241 O ILE A 78 5.750 -14.395 -3.192 1.00 31.34 O ATOM 1242 CB ILE A 78 4.729 -11.595 -3.709 1.00 55.14 C ATOM 1243 CG1 ILE A 78 4.212 -10.161 -3.422 1.00 10.21 C ATOM 1244 CG2 ILE A 78 4.253 -12.054 -5.121 1.00 62.22 C ATOM 1245 CD1 ILE A 78 4.603 -9.113 -4.447 1.00 55.21 C ATOM 0 H ILE A 78 5.597 -11.547 -1.281 1.00 52.25 H new ATOM 0 HA ILE A 78 3.202 -12.480 -2.412 1.00 23.14 H new ATOM 0 HB ILE A 78 5.819 -11.593 -3.709 1.00 55.14 H new ATOM 0 HG12 ILE A 78 3.125 -10.191 -3.355 1.00 10.21 H new ATOM 0 HG13 ILE A 78 4.583 -9.847 -2.446 1.00 10.21 H new ATOM 0 HG21 ILE A 78 4.588 -11.335 -5.869 1.00 62.22 H new ATOM 0 HG22 ILE A 78 4.673 -13.034 -5.346 1.00 62.22 H new ATOM 0 HG23 ILE A 78 3.165 -12.114 -5.136 1.00 62.22 H new ATOM 0 HD11 ILE A 78 4.193 -8.147 -4.154 1.00 55.21 H new ATOM 0 HD12 ILE A 78 5.690 -9.044 -4.501 1.00 55.21 H new ATOM 0 HD13 ILE A 78 4.208 -9.394 -5.423 1.00 55.21 H new ATOM 1369 N GLU A 86 7.279 -7.366 -10.495 1.00 22.42 N ATOM 1370 CA GLU A 86 6.327 -6.314 -10.946 1.00 51.01 C ATOM 1371 C GLU A 86 5.913 -5.396 -9.770 1.00 32.32 C ATOM 1372 O GLU A 86 5.923 -4.161 -9.882 1.00 53.33 O ATOM 1373 CB GLU A 86 5.069 -6.962 -11.596 1.00 2.52 C ATOM 1374 CG GLU A 86 4.326 -7.975 -10.689 1.00 42.00 C ATOM 1375 CD GLU A 86 2.939 -8.362 -11.210 1.00 74.32 C ATOM 1376 OE1 GLU A 86 2.027 -7.515 -11.166 1.00 45.22 O ATOM 1377 OE2 GLU A 86 2.744 -9.508 -11.649 1.00 54.43 O ATOM 0 HA GLU A 86 6.831 -5.701 -11.693 1.00 51.01 H new ATOM 0 HB2 GLU A 86 4.375 -6.171 -11.881 1.00 2.52 H new ATOM 0 HB3 GLU A 86 5.370 -7.468 -12.514 1.00 2.52 H new ATOM 0 HG2 GLU A 86 4.932 -8.875 -10.591 1.00 42.00 H new ATOM 0 HG3 GLU A 86 4.224 -7.549 -9.691 1.00 42.00 H new ATOM 1384 N ALA A 87 5.583 -6.035 -8.643 1.00 21.24 N ATOM 1385 CA ALA A 87 5.158 -5.369 -7.413 1.00 40.31 C ATOM 1386 C ALA A 87 6.351 -4.799 -6.629 1.00 60.54 C ATOM 1387 O ALA A 87 6.202 -3.822 -5.877 1.00 54.13 O ATOM 1388 CB ALA A 87 4.356 -6.356 -6.571 1.00 42.41 C ATOM 0 H ALA A 87 5.605 -7.051 -8.561 1.00 21.24 H new ATOM 0 HA ALA A 87 4.528 -4.517 -7.670 1.00 40.31 H new ATOM 0 HB1 ALA A 87 4.033 -5.870 -5.650 1.00 42.41 H new ATOM 0 HB2 ALA A 87 3.482 -6.687 -7.132 1.00 42.41 H new ATOM 0 HB3 ALA A 87 4.979 -7.217 -6.328 1.00 42.41 H new ATOM 1394 N LYS A 88 7.532 -5.433 -6.815 1.00 75.14 N ATOM 1395 CA LYS A 88 8.781 -5.046 -6.137 1.00 54.53 C ATOM 1396 C LYS A 88 9.181 -3.616 -6.551 1.00 2.24 C ATOM 1397 O LYS A 88 9.463 -2.773 -5.691 1.00 34.43 O ATOM 1398 CB LYS A 88 9.904 -6.093 -6.438 1.00 52.44 C ATOM 1399 CG LYS A 88 11.185 -6.026 -5.551 1.00 65.15 C ATOM 1400 CD LYS A 88 12.155 -4.895 -5.944 1.00 23.51 C ATOM 1401 CE LYS A 88 13.398 -4.823 -5.047 1.00 4.31 C ATOM 1402 NZ LYS A 88 14.260 -3.676 -5.425 1.00 3.11 N ATOM 0 H LYS A 88 7.641 -6.230 -7.443 1.00 75.14 H new ATOM 0 HA LYS A 88 8.630 -5.041 -5.058 1.00 54.53 H new ATOM 0 HB2 LYS A 88 9.474 -7.090 -6.339 1.00 52.44 H new ATOM 0 HB3 LYS A 88 10.205 -5.978 -7.479 1.00 52.44 H new ATOM 0 HG2 LYS A 88 10.889 -5.893 -4.511 1.00 65.15 H new ATOM 0 HG3 LYS A 88 11.709 -6.980 -5.613 1.00 65.15 H new ATOM 0 HD2 LYS A 88 12.469 -5.038 -6.978 1.00 23.51 H new ATOM 0 HD3 LYS A 88 11.628 -3.942 -5.900 1.00 23.51 H new ATOM 0 HE2 LYS A 88 13.094 -4.726 -4.005 1.00 4.31 H new ATOM 0 HE3 LYS A 88 13.964 -5.751 -5.129 1.00 4.31 H new ATOM 0 HZ1 LYS A 88 15.094 -3.649 -4.804 1.00 3.11 H new ATOM 0 HZ2 LYS A 88 14.567 -3.783 -6.413 1.00 3.11 H new ATOM 0 HZ3 LYS A 88 13.724 -2.791 -5.324 1.00 3.11 H new ATOM 1416 N GLU A 89 9.146 -3.357 -7.873 1.00 71.41 N ATOM 1417 CA GLU A 89 9.554 -2.060 -8.478 1.00 64.20 C ATOM 1418 C GLU A 89 8.749 -0.868 -7.907 1.00 40.00 C ATOM 1419 O GLU A 89 9.242 0.269 -7.868 1.00 74.25 O ATOM 1420 CB GLU A 89 9.409 -2.116 -10.025 1.00 44.43 C ATOM 1421 CG GLU A 89 10.077 -3.337 -10.704 1.00 74.24 C ATOM 1422 CD GLU A 89 11.552 -3.564 -10.308 1.00 74.24 C ATOM 1423 OE1 GLU A 89 12.449 -2.927 -10.902 1.00 14.30 O ATOM 1424 OE2 GLU A 89 11.828 -4.396 -9.410 1.00 21.35 O ATOM 0 H GLU A 89 8.833 -4.042 -8.561 1.00 71.41 H new ATOM 0 HA GLU A 89 10.600 -1.898 -8.219 1.00 64.20 H new ATOM 0 HB2 GLU A 89 8.348 -2.116 -10.275 1.00 44.43 H new ATOM 0 HB3 GLU A 89 9.836 -1.206 -10.447 1.00 44.43 H new ATOM 0 HG2 GLU A 89 9.506 -4.232 -10.456 1.00 74.24 H new ATOM 0 HG3 GLU A 89 10.020 -3.212 -11.785 1.00 74.24 H new ATOM 1431 N MET A 90 7.509 -1.154 -7.485 1.00 62.20 N ATOM 1432 CA MET A 90 6.582 -0.148 -6.940 1.00 21.41 C ATOM 1433 C MET A 90 7.016 0.335 -5.540 1.00 12.02 C ATOM 1434 O MET A 90 6.842 1.514 -5.210 1.00 40.30 O ATOM 1435 CB MET A 90 5.156 -0.731 -6.873 1.00 32.12 C ATOM 1436 CG MET A 90 4.641 -1.317 -8.195 1.00 34.23 C ATOM 1437 SD MET A 90 2.874 -1.687 -8.170 1.00 32.51 S ATOM 1438 CE MET A 90 2.718 -2.726 -6.719 1.00 31.25 C ATOM 0 H MET A 90 7.117 -2.095 -7.512 1.00 62.20 H new ATOM 0 HA MET A 90 6.598 0.713 -7.608 1.00 21.41 H new ATOM 0 HB2 MET A 90 5.132 -1.511 -6.112 1.00 32.12 H new ATOM 0 HB3 MET A 90 4.472 0.053 -6.548 1.00 32.12 H new ATOM 0 HG2 MET A 90 4.847 -0.613 -9.001 1.00 34.23 H new ATOM 0 HG3 MET A 90 5.193 -2.229 -8.420 1.00 34.23 H new ATOM 0 HE1 MET A 90 2.020 -3.537 -6.926 1.00 31.25 H new ATOM 0 HE2 MET A 90 3.692 -3.143 -6.463 1.00 31.25 H new ATOM 0 HE3 MET A 90 2.347 -2.132 -5.884 1.00 31.25 H new ATOM 1448 N ALA A 91 7.589 -0.579 -4.725 1.00 51.22 N ATOM 1449 CA ALA A 91 8.078 -0.236 -3.369 1.00 51.30 C ATOM 1450 C ALA A 91 9.221 0.775 -3.426 1.00 15.24 C ATOM 1451 O ALA A 91 9.389 1.559 -2.485 1.00 35.55 O ATOM 1452 CB ALA A 91 8.520 -1.476 -2.606 1.00 42.43 C ATOM 0 H ALA A 91 7.724 -1.557 -4.981 1.00 51.22 H new ATOM 0 HA ALA A 91 7.242 0.217 -2.837 1.00 51.30 H new ATOM 0 HB1 ALA A 91 8.873 -1.187 -1.616 1.00 42.43 H new ATOM 0 HB2 ALA A 91 7.678 -2.161 -2.506 1.00 42.43 H new ATOM 0 HB3 ALA A 91 9.326 -1.969 -3.149 1.00 42.43 H new ATOM 1458 N LYS A 92 9.988 0.750 -4.545 1.00 32.10 N ATOM 1459 CA LYS A 92 11.034 1.748 -4.809 1.00 51.44 C ATOM 1460 C LYS A 92 10.409 3.142 -4.806 1.00 74.31 C ATOM 1461 O LYS A 92 10.877 4.017 -4.095 1.00 1.43 O ATOM 1462 CB LYS A 92 11.757 1.501 -6.164 1.00 72.33 C ATOM 1463 CG LYS A 92 12.874 2.534 -6.469 1.00 12.21 C ATOM 1464 CD LYS A 92 13.513 2.380 -7.866 1.00 34.44 C ATOM 1465 CE LYS A 92 14.601 3.443 -8.115 1.00 33.20 C ATOM 1466 NZ LYS A 92 15.213 3.318 -9.465 1.00 71.35 N ATOM 0 H LYS A 92 9.895 0.044 -5.275 1.00 32.10 H new ATOM 0 HA LYS A 92 11.783 1.663 -4.022 1.00 51.44 H new ATOM 0 HB2 LYS A 92 12.190 0.501 -6.158 1.00 72.33 H new ATOM 0 HB3 LYS A 92 11.022 1.525 -6.968 1.00 72.33 H new ATOM 0 HG2 LYS A 92 12.459 3.538 -6.380 1.00 12.21 H new ATOM 0 HG3 LYS A 92 13.654 2.443 -5.713 1.00 12.21 H new ATOM 0 HD2 LYS A 92 13.948 1.385 -7.960 1.00 34.44 H new ATOM 0 HD3 LYS A 92 12.741 2.463 -8.631 1.00 34.44 H new ATOM 0 HE2 LYS A 92 14.167 4.437 -8.006 1.00 33.20 H new ATOM 0 HE3 LYS A 92 15.378 3.349 -7.356 1.00 33.20 H new ATOM 0 HZ1 LYS A 92 15.938 4.053 -9.587 1.00 71.35 H new ATOM 0 HZ2 LYS A 92 15.651 2.380 -9.562 1.00 71.35 H new ATOM 0 HZ3 LYS A 92 14.478 3.433 -10.191 1.00 71.35 H new ATOM 1480 N LYS A 93 9.292 3.285 -5.550 1.00 20.23 N ATOM 1481 CA LYS A 93 8.587 4.570 -5.712 1.00 34.03 C ATOM 1482 C LYS A 93 8.072 5.097 -4.365 1.00 21.35 C ATOM 1483 O LYS A 93 8.322 6.251 -4.022 1.00 30.14 O ATOM 1484 CB LYS A 93 7.415 4.409 -6.707 1.00 21.30 C ATOM 1485 CG LYS A 93 7.816 4.307 -8.188 1.00 44.55 C ATOM 1486 CD LYS A 93 8.322 5.654 -8.729 1.00 1.35 C ATOM 1487 CE LYS A 93 8.713 5.600 -10.209 1.00 51.33 C ATOM 1488 NZ LYS A 93 7.592 5.118 -11.057 1.00 62.31 N ATOM 0 H LYS A 93 8.856 2.513 -6.054 1.00 20.23 H new ATOM 0 HA LYS A 93 9.296 5.298 -6.107 1.00 34.03 H new ATOM 0 HB2 LYS A 93 6.853 3.515 -6.438 1.00 21.30 H new ATOM 0 HB3 LYS A 93 6.741 5.257 -6.588 1.00 21.30 H new ATOM 0 HG2 LYS A 93 8.593 3.552 -8.304 1.00 44.55 H new ATOM 0 HG3 LYS A 93 6.960 3.976 -8.776 1.00 44.55 H new ATOM 0 HD2 LYS A 93 7.547 6.408 -8.592 1.00 1.35 H new ATOM 0 HD3 LYS A 93 9.184 5.973 -8.143 1.00 1.35 H new ATOM 0 HE2 LYS A 93 9.020 6.592 -10.541 1.00 51.33 H new ATOM 0 HE3 LYS A 93 9.573 4.942 -10.334 1.00 51.33 H new ATOM 0 HZ1 LYS A 93 7.818 5.285 -12.058 1.00 62.31 H new ATOM 0 HZ2 LYS A 93 7.450 4.100 -10.899 1.00 62.31 H new ATOM 0 HZ3 LYS A 93 6.723 5.631 -10.808 1.00 62.31 H new ATOM 1502 N ALA A 94 7.377 4.228 -3.607 1.00 42.14 N ATOM 1503 CA ALA A 94 6.832 4.571 -2.271 1.00 60.22 C ATOM 1504 C ALA A 94 7.957 4.986 -1.296 1.00 3.42 C ATOM 1505 O ALA A 94 7.756 5.850 -0.426 1.00 15.33 O ATOM 1506 CB ALA A 94 6.019 3.394 -1.717 1.00 20.11 C ATOM 0 H ALA A 94 7.176 3.271 -3.898 1.00 42.14 H new ATOM 0 HA ALA A 94 6.168 5.429 -2.378 1.00 60.22 H new ATOM 0 HB1 ALA A 94 5.623 3.655 -0.736 1.00 20.11 H new ATOM 0 HB2 ALA A 94 5.194 3.171 -2.394 1.00 20.11 H new ATOM 0 HB3 ALA A 94 6.662 2.518 -1.627 1.00 20.11 H new ATOM 1512 N GLU A 95 9.142 4.374 -1.479 1.00 52.14 N ATOM 1513 CA GLU A 95 10.339 4.663 -0.675 1.00 11.42 C ATOM 1514 C GLU A 95 10.965 6.016 -1.115 1.00 42.33 C ATOM 1515 O GLU A 95 11.389 6.808 -0.272 1.00 34.41 O ATOM 1516 CB GLU A 95 11.372 3.487 -0.798 1.00 3.04 C ATOM 1517 CG GLU A 95 12.109 3.109 0.507 1.00 52.41 C ATOM 1518 CD GLU A 95 12.929 4.257 1.115 1.00 70.21 C ATOM 1519 OE1 GLU A 95 14.060 4.507 0.649 1.00 2.11 O ATOM 1520 OE2 GLU A 95 12.459 4.908 2.074 1.00 71.53 O ATOM 0 H GLU A 95 9.294 3.662 -2.193 1.00 52.14 H new ATOM 0 HA GLU A 95 10.054 4.750 0.374 1.00 11.42 H new ATOM 0 HB2 GLU A 95 10.849 2.605 -1.168 1.00 3.04 H new ATOM 0 HB3 GLU A 95 12.115 3.756 -1.549 1.00 3.04 H new ATOM 0 HG2 GLU A 95 11.377 2.770 1.241 1.00 52.41 H new ATOM 0 HG3 GLU A 95 12.773 2.268 0.307 1.00 52.41 H new ATOM 1527 N GLU A 96 10.987 6.272 -2.445 1.00 63.21 N ATOM 1528 CA GLU A 96 11.552 7.510 -3.030 1.00 43.43 C ATOM 1529 C GLU A 96 10.707 8.725 -2.639 1.00 22.13 C ATOM 1530 O GLU A 96 11.241 9.820 -2.419 1.00 2.04 O ATOM 1531 CB GLU A 96 11.638 7.419 -4.585 1.00 74.14 C ATOM 1532 CG GLU A 96 12.598 6.345 -5.129 1.00 54.12 C ATOM 1533 CD GLU A 96 14.071 6.564 -4.751 1.00 52.25 C ATOM 1534 OE1 GLU A 96 14.509 6.088 -3.684 1.00 62.44 O ATOM 1535 OE2 GLU A 96 14.805 7.208 -5.531 1.00 0.22 O ATOM 0 H GLU A 96 10.614 5.626 -3.141 1.00 63.21 H new ATOM 0 HA GLU A 96 12.560 7.625 -2.632 1.00 43.43 H new ATOM 0 HB2 GLU A 96 10.640 7.223 -4.977 1.00 74.14 H new ATOM 0 HB3 GLU A 96 11.948 8.390 -4.973 1.00 74.14 H new ATOM 0 HG2 GLU A 96 12.281 5.370 -4.759 1.00 54.12 H new ATOM 0 HG3 GLU A 96 12.514 6.316 -6.215 1.00 54.12 H new ATOM 1542 N TRP A 97 9.379 8.515 -2.559 1.00 50.14 N ATOM 1543 CA TRP A 97 8.429 9.551 -2.141 1.00 22.33 C ATOM 1544 C TRP A 97 8.646 9.886 -0.670 1.00 31.02 C ATOM 1545 O TRP A 97 8.580 11.045 -0.290 1.00 4.05 O ATOM 1546 CB TRP A 97 6.963 9.110 -2.382 1.00 13.23 C ATOM 1547 CG TRP A 97 6.623 8.877 -3.831 1.00 2.31 C ATOM 1548 CD1 TRP A 97 7.196 9.467 -4.917 1.00 55.43 C ATOM 1549 CD2 TRP A 97 5.624 7.991 -4.347 1.00 43.11 C ATOM 1550 NE1 TRP A 97 6.633 8.994 -6.066 1.00 2.52 N ATOM 1551 CE2 TRP A 97 5.667 8.090 -5.745 1.00 22.23 C ATOM 1552 CE3 TRP A 97 4.705 7.124 -3.758 1.00 72.32 C ATOM 1553 CZ2 TRP A 97 4.837 7.344 -6.569 1.00 54.04 C ATOM 1554 CZ3 TRP A 97 3.877 6.390 -4.572 1.00 33.25 C ATOM 1555 CH2 TRP A 97 3.951 6.507 -5.964 1.00 23.01 C ATOM 0 H TRP A 97 8.940 7.622 -2.783 1.00 50.14 H new ATOM 0 HA TRP A 97 8.609 10.440 -2.746 1.00 22.33 H new ATOM 0 HB2 TRP A 97 6.774 8.193 -1.823 1.00 13.23 H new ATOM 0 HB3 TRP A 97 6.295 9.872 -1.981 1.00 13.23 H new ATOM 0 HD1 TRP A 97 7.984 10.204 -4.874 1.00 55.43 H new ATOM 0 HE1 TRP A 97 6.893 9.272 -7.012 1.00 2.52 H new ATOM 0 HE3 TRP A 97 4.645 7.031 -2.684 1.00 72.32 H new ATOM 0 HZ2 TRP A 97 4.892 7.424 -7.645 1.00 54.04 H new ATOM 0 HZ3 TRP A 97 3.159 5.714 -4.131 1.00 33.25 H new ATOM 0 HH2 TRP A 97 3.286 5.916 -6.576 1.00 23.01 H new ATOM 1566 N LEU A 98 8.927 8.850 0.141 1.00 31.24 N ATOM 1567 CA LEU A 98 9.228 9.024 1.567 1.00 3.12 C ATOM 1568 C LEU A 98 10.527 9.846 1.746 1.00 34.02 C ATOM 1569 O LEU A 98 10.570 10.760 2.565 1.00 53.34 O ATOM 1570 CB LEU A 98 9.324 7.648 2.279 1.00 0.44 C ATOM 1571 CG LEU A 98 9.424 7.683 3.841 1.00 25.33 C ATOM 1572 CD1 LEU A 98 8.219 8.430 4.477 1.00 24.41 C ATOM 1573 CD2 LEU A 98 9.576 6.251 4.418 1.00 34.32 C ATOM 0 H LEU A 98 8.951 7.880 -0.173 1.00 31.24 H new ATOM 0 HA LEU A 98 8.413 9.579 2.032 1.00 3.12 H new ATOM 0 HB2 LEU A 98 8.449 7.059 2.005 1.00 0.44 H new ATOM 0 HB3 LEU A 98 10.197 7.122 1.892 1.00 0.44 H new ATOM 0 HG LEU A 98 10.321 8.245 4.103 1.00 25.33 H new ATOM 0 HD11 LEU A 98 8.324 8.433 5.562 1.00 24.41 H new ATOM 0 HD12 LEU A 98 8.194 9.457 4.112 1.00 24.41 H new ATOM 0 HD13 LEU A 98 7.293 7.925 4.204 1.00 24.41 H new ATOM 0 HD21 LEU A 98 9.643 6.302 5.505 1.00 34.32 H new ATOM 0 HD22 LEU A 98 8.711 5.651 4.136 1.00 34.32 H new ATOM 0 HD23 LEU A 98 10.481 5.792 4.019 1.00 34.32 H new ATOM 1585 N GLN A 99 11.552 9.544 0.920 1.00 62.40 N ATOM 1586 CA GLN A 99 12.841 10.279 0.915 1.00 13.12 C ATOM 1587 C GLN A 99 12.654 11.749 0.469 1.00 33.40 C ATOM 1588 O GLN A 99 13.307 12.657 1.000 1.00 51.13 O ATOM 1589 CB GLN A 99 13.860 9.578 -0.031 1.00 25.10 C ATOM 1590 CG GLN A 99 14.252 8.138 0.371 1.00 34.10 C ATOM 1591 CD GLN A 99 14.969 8.038 1.725 1.00 22.31 C ATOM 1592 OE1 GLN A 99 15.672 8.955 2.150 1.00 73.32 O ATOM 1593 NE2 GLN A 99 14.821 6.914 2.395 1.00 70.14 N ATOM 0 H GLN A 99 11.512 8.786 0.238 1.00 62.40 H new ATOM 0 HA GLN A 99 13.224 10.274 1.935 1.00 13.12 H new ATOM 0 HB2 GLN A 99 13.441 9.555 -1.037 1.00 25.10 H new ATOM 0 HB3 GLN A 99 14.765 10.184 -0.076 1.00 25.10 H new ATOM 0 HG2 GLN A 99 13.352 7.523 0.402 1.00 34.10 H new ATOM 0 HG3 GLN A 99 14.897 7.720 -0.401 1.00 34.10 H new ATOM 0 HE21 GLN A 99 14.232 6.170 2.020 1.00 70.14 H new ATOM 0 HE22 GLN A 99 15.295 6.787 3.289 1.00 70.14 H new ATOM 1602 N ALA A 100 11.754 11.959 -0.512 1.00 30.23 N ATOM 1603 CA ALA A 100 11.487 13.282 -1.102 1.00 62.33 C ATOM 1604 C ALA A 100 10.746 14.186 -0.103 1.00 1.53 C ATOM 1605 O ALA A 100 11.105 15.356 0.083 1.00 11.30 O ATOM 1606 CB ALA A 100 10.688 13.138 -2.413 1.00 13.02 C ATOM 0 H ALA A 100 11.191 11.212 -0.918 1.00 30.23 H new ATOM 0 HA ALA A 100 12.442 13.753 -1.335 1.00 62.33 H new ATOM 0 HB1 ALA A 100 10.500 14.125 -2.835 1.00 13.02 H new ATOM 0 HB2 ALA A 100 11.260 12.543 -3.124 1.00 13.02 H new ATOM 0 HB3 ALA A 100 9.738 12.644 -2.208 1.00 13.02 H new ATOM 1612 N GLU A 101 9.718 13.606 0.537 1.00 35.32 N ATOM 1613 CA GLU A 101 8.882 14.299 1.530 1.00 3.13 C ATOM 1614 C GLU A 101 9.680 14.587 2.815 1.00 23.23 C ATOM 1615 O GLU A 101 9.447 15.602 3.473 1.00 63.43 O ATOM 1616 CB GLU A 101 7.613 13.464 1.832 1.00 51.42 C ATOM 1617 CG GLU A 101 6.641 13.293 0.639 1.00 13.44 C ATOM 1618 CD GLU A 101 5.964 14.602 0.191 1.00 64.51 C ATOM 1619 OE1 GLU A 101 6.517 15.314 -0.681 1.00 22.52 O ATOM 1620 OE2 GLU A 101 4.877 14.928 0.717 1.00 32.24 O ATOM 0 H GLU A 101 9.442 12.637 0.379 1.00 35.32 H new ATOM 0 HA GLU A 101 8.571 15.258 1.117 1.00 3.13 H new ATOM 0 HB2 GLU A 101 7.920 12.476 2.175 1.00 51.42 H new ATOM 0 HB3 GLU A 101 7.075 13.934 2.655 1.00 51.42 H new ATOM 0 HG2 GLU A 101 7.188 12.871 -0.204 1.00 13.44 H new ATOM 0 HG3 GLU A 101 5.870 12.572 0.912 1.00 13.44 H new