USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 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 -13:sc= 0.0998 USER MOD Set 1.2: A 70 SER OG : rot 79:sc= 1.47 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 135:sc= 1.07 (180deg=-0.085) USER MOD Set 2.2: A 47 TYR OH : rot 30:sc= 0.659 USER MOD Single : A 24 MET CE :methyl -128:sc= -0.155 (180deg=-0.907) USER MOD Single : A 30 ASN : amide:sc= 0.553 K(o=0.55,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -172:sc= -2.09! (180deg=-2.23) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc=-0.00523 K(o=-0.0052,f=-0.96) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00285 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 8:sc= 0.329 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -142:sc= -1.99 (180deg=-7.51!) USER MOD Single : A 92 LYS NZ :NH3+ 141:sc= 0.515 (180deg=-0.301) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.0242 X(o=-0.024,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -9.943 9.472 1.156 1.00 31.31 N ATOM 369 CA MET A 24 -9.577 8.181 0.567 1.00 72.40 C ATOM 370 C MET A 24 -8.078 7.879 0.750 1.00 53.40 C ATOM 371 O MET A 24 -7.385 8.559 1.517 1.00 51.23 O ATOM 372 CB MET A 24 -10.039 8.131 -0.928 1.00 42.40 C ATOM 373 CG MET A 24 -11.504 7.672 -1.128 1.00 41.32 C ATOM 374 SD MET A 24 -12.214 8.169 -2.707 1.00 4.34 S ATOM 375 CE MET A 24 -12.218 9.949 -2.507 1.00 32.41 C ATOM 0 HA MET A 24 -10.100 7.385 1.097 1.00 72.40 H new ATOM 0 HB2 MET A 24 -9.918 9.121 -1.367 1.00 42.40 H new ATOM 0 HB3 MET A 24 -9.381 7.457 -1.477 1.00 42.40 H new ATOM 0 HG2 MET A 24 -11.549 6.586 -1.046 1.00 41.32 H new ATOM 0 HG3 MET A 24 -12.115 8.078 -0.322 1.00 41.32 H new ATOM 0 HE1 MET A 24 -13.214 10.337 -2.721 1.00 32.41 H new ATOM 0 HE2 MET A 24 -11.943 10.201 -1.483 1.00 32.41 H new ATOM 0 HE3 MET A 24 -11.500 10.394 -3.196 1.00 32.41 H new ATOM 385 N GLY A 25 -7.611 6.799 0.092 1.00 12.41 N ATOM 386 CA GLY A 25 -6.267 6.244 0.289 1.00 43.34 C ATOM 387 C GLY A 25 -6.252 5.175 1.372 1.00 42.31 C ATOM 388 O GLY A 25 -5.756 4.058 1.156 1.00 61.45 O ATOM 0 H GLY A 25 -8.164 6.287 -0.595 1.00 12.41 H new ATOM 0 HA2 GLY A 25 -5.909 5.818 -0.648 1.00 43.34 H new ATOM 0 HA3 GLY A 25 -5.579 7.045 0.559 1.00 43.34 H new ATOM 392 N ARG A 26 -6.833 5.540 2.532 1.00 60.10 N ATOM 393 CA ARG A 26 -6.873 4.714 3.748 1.00 51.45 C ATOM 394 C ARG A 26 -7.565 3.362 3.512 1.00 33.33 C ATOM 395 O ARG A 26 -7.063 2.326 3.959 1.00 62.13 O ATOM 396 CB ARG A 26 -7.595 5.503 4.869 1.00 22.31 C ATOM 397 CG ARG A 26 -6.877 6.810 5.276 1.00 72.23 C ATOM 398 CD ARG A 26 -7.696 7.670 6.255 1.00 72.54 C ATOM 399 NE ARG A 26 -8.069 6.954 7.486 1.00 12.20 N ATOM 400 CZ ARG A 26 -8.647 7.518 8.569 1.00 3.22 C ATOM 401 NH1 ARG A 26 -8.928 8.825 8.605 1.00 44.31 N ATOM 402 NH2 ARG A 26 -8.992 6.744 9.585 1.00 12.55 N ATOM 0 H ARG A 26 -7.298 6.440 2.649 1.00 60.10 H new ATOM 0 HA ARG A 26 -5.848 4.493 4.044 1.00 51.45 H new ATOM 0 HB2 ARG A 26 -8.606 5.743 4.538 1.00 22.31 H new ATOM 0 HB3 ARG A 26 -7.690 4.864 5.747 1.00 22.31 H new ATOM 0 HG2 ARG A 26 -5.918 6.564 5.733 1.00 72.23 H new ATOM 0 HG3 ARG A 26 -6.663 7.394 4.381 1.00 72.23 H new ATOM 0 HD2 ARG A 26 -7.120 8.557 6.519 1.00 72.54 H new ATOM 0 HD3 ARG A 26 -8.601 8.015 5.755 1.00 72.54 H new ATOM 0 HE ARG A 26 -7.876 5.953 7.524 1.00 12.20 H new ATOM 0 HH11 ARG A 26 -8.706 9.417 7.804 1.00 44.31 H new ATOM 0 HH12 ARG A 26 -9.365 9.230 9.433 1.00 44.31 H new ATOM 0 HH21 ARG A 26 -8.820 5.739 9.542 1.00 12.55 H new ATOM 0 HH22 ARG A 26 -9.430 7.152 10.411 1.00 12.55 H new ATOM 416 N ALA A 27 -8.700 3.384 2.781 1.00 41.14 N ATOM 417 CA ALA A 27 -9.490 2.172 2.497 1.00 20.51 C ATOM 418 C ALA A 27 -8.676 1.150 1.691 1.00 55.01 C ATOM 419 O ALA A 27 -8.629 -0.019 2.062 1.00 35.00 O ATOM 420 CB ALA A 27 -10.798 2.525 1.787 1.00 44.44 C ATOM 0 H ALA A 27 -9.090 4.235 2.376 1.00 41.14 H new ATOM 0 HA ALA A 27 -9.743 1.709 3.451 1.00 20.51 H new ATOM 0 HB1 ALA A 27 -11.362 1.614 1.589 1.00 44.44 H new ATOM 0 HB2 ALA A 27 -11.389 3.187 2.420 1.00 44.44 H new ATOM 0 HB3 ALA A 27 -10.577 3.027 0.845 1.00 44.44 H new ATOM 426 N LEU A 28 -7.979 1.621 0.630 1.00 61.21 N ATOM 427 CA LEU A 28 -7.112 0.762 -0.214 1.00 12.21 C ATOM 428 C LEU A 28 -5.934 0.183 0.582 1.00 41.34 C ATOM 429 O LEU A 28 -5.508 -0.948 0.324 1.00 34.24 O ATOM 430 CB LEU A 28 -6.602 1.529 -1.473 1.00 4.50 C ATOM 431 CG LEU A 28 -7.601 1.578 -2.671 1.00 70.50 C ATOM 432 CD1 LEU A 28 -7.110 2.527 -3.784 1.00 40.41 C ATOM 433 CD2 LEU A 28 -7.869 0.168 -3.218 1.00 53.31 C ATOM 0 H LEU A 28 -8.000 2.598 0.336 1.00 61.21 H new ATOM 0 HA LEU A 28 -7.726 -0.073 -0.551 1.00 12.21 H new ATOM 0 HB2 LEU A 28 -6.358 2.551 -1.182 1.00 4.50 H new ATOM 0 HB3 LEU A 28 -5.676 1.064 -1.812 1.00 4.50 H new ATOM 0 HG LEU A 28 -8.543 1.980 -2.299 1.00 70.50 H new ATOM 0 HD11 LEU A 28 -7.832 2.534 -4.601 1.00 40.41 H new ATOM 0 HD12 LEU A 28 -7.006 3.535 -3.383 1.00 40.41 H new ATOM 0 HD13 LEU A 28 -6.145 2.183 -4.156 1.00 40.41 H new ATOM 0 HD21 LEU A 28 -8.568 0.228 -4.052 1.00 53.31 H new ATOM 0 HD22 LEU A 28 -6.933 -0.274 -3.560 1.00 53.31 H new ATOM 0 HD23 LEU A 28 -8.296 -0.453 -2.430 1.00 53.31 H new ATOM 445 N TYR A 29 -5.413 0.967 1.540 1.00 50.42 N ATOM 446 CA TYR A 29 -4.365 0.505 2.456 1.00 60.11 C ATOM 447 C TYR A 29 -4.881 -0.677 3.308 1.00 21.31 C ATOM 448 O TYR A 29 -4.174 -1.672 3.492 1.00 34.24 O ATOM 449 CB TYR A 29 -3.867 1.671 3.351 1.00 64.01 C ATOM 450 CG TYR A 29 -2.819 1.254 4.387 1.00 14.50 C ATOM 451 CD1 TYR A 29 -1.553 0.830 3.990 1.00 74.31 C ATOM 452 CD2 TYR A 29 -3.100 1.249 5.759 1.00 32.33 C ATOM 453 CE1 TYR A 29 -0.610 0.417 4.910 1.00 71.13 C ATOM 454 CE2 TYR A 29 -2.160 0.829 6.680 1.00 53.23 C ATOM 455 CZ TYR A 29 -0.915 0.416 6.254 1.00 33.14 C ATOM 456 OH TYR A 29 0.014 -0.024 7.179 1.00 42.10 O ATOM 0 H TYR A 29 -5.706 1.931 1.698 1.00 50.42 H new ATOM 0 HA TYR A 29 -3.517 0.153 1.869 1.00 60.11 H new ATOM 0 HB2 TYR A 29 -3.445 2.450 2.715 1.00 64.01 H new ATOM 0 HB3 TYR A 29 -4.721 2.109 3.868 1.00 64.01 H new ATOM 0 HD1 TYR A 29 -1.304 0.824 2.939 1.00 74.31 H new ATOM 0 HD2 TYR A 29 -4.069 1.579 6.103 1.00 32.33 H new ATOM 0 HE1 TYR A 29 0.366 0.095 4.577 1.00 71.13 H new ATOM 0 HE2 TYR A 29 -2.400 0.824 7.733 1.00 53.23 H new ATOM 0 HH TYR A 29 0.740 -0.492 6.716 1.00 42.10 H new ATOM 466 N ASN A 30 -6.135 -0.563 3.794 1.00 72.14 N ATOM 467 CA ASN A 30 -6.781 -1.634 4.578 1.00 73.12 C ATOM 468 C ASN A 30 -7.050 -2.883 3.716 1.00 23.50 C ATOM 469 O ASN A 30 -6.818 -3.986 4.189 1.00 31.13 O ATOM 470 CB ASN A 30 -8.090 -1.159 5.264 1.00 22.24 C ATOM 471 CG ASN A 30 -7.827 -0.279 6.488 1.00 45.50 C ATOM 472 OD1 ASN A 30 -7.606 -0.780 7.591 1.00 54.21 O ATOM 473 ND2 ASN A 30 -7.900 1.028 6.320 1.00 2.23 N ATOM 0 H ASN A 30 -6.720 0.261 3.656 1.00 72.14 H new ATOM 0 HA ASN A 30 -6.077 -1.902 5.365 1.00 73.12 H new ATOM 0 HB2 ASN A 30 -8.692 -0.604 4.545 1.00 22.24 H new ATOM 0 HB3 ASN A 30 -8.674 -2.029 5.565 1.00 22.24 H new ATOM 0 HD21 ASN A 30 -7.772 1.652 7.116 1.00 2.23 H new ATOM 0 HD22 ASN A 30 -8.084 1.414 5.394 1.00 2.23 H new ATOM 480 N ILE A 31 -7.494 -2.699 2.446 1.00 74.12 N ATOM 481 CA ILE A 31 -7.790 -3.831 1.525 1.00 14.12 C ATOM 482 C ILE A 31 -6.499 -4.624 1.250 1.00 33.52 C ATOM 483 O ILE A 31 -6.517 -5.862 1.163 1.00 54.43 O ATOM 484 CB ILE A 31 -8.395 -3.335 0.154 1.00 32.21 C ATOM 485 CG1 ILE A 31 -9.655 -2.455 0.382 1.00 74.21 C ATOM 486 CG2 ILE A 31 -8.732 -4.529 -0.770 1.00 44.11 C ATOM 487 CD1 ILE A 31 -10.221 -1.796 -0.869 1.00 21.31 C ATOM 0 H ILE A 31 -7.655 -1.779 2.035 1.00 74.12 H new ATOM 0 HA ILE A 31 -8.531 -4.465 2.011 1.00 14.12 H new ATOM 0 HB ILE A 31 -7.637 -2.725 -0.337 1.00 32.21 H new ATOM 0 HG12 ILE A 31 -10.433 -3.072 0.832 1.00 74.21 H new ATOM 0 HG13 ILE A 31 -9.409 -1.676 1.104 1.00 74.21 H new ATOM 0 HG21 ILE A 31 -9.147 -4.158 -1.707 1.00 44.11 H new ATOM 0 HG22 ILE A 31 -7.825 -5.098 -0.975 1.00 44.11 H new ATOM 0 HG23 ILE A 31 -9.462 -5.174 -0.280 1.00 44.11 H new ATOM 0 HD11 ILE A 31 -11.097 -1.205 -0.604 1.00 21.31 H new ATOM 0 HD12 ILE A 31 -9.466 -1.147 -1.312 1.00 21.31 H new ATOM 0 HD13 ILE A 31 -10.506 -2.564 -1.588 1.00 21.31 H new ATOM 499 N GLY A 32 -5.386 -3.873 1.148 1.00 74.23 N ATOM 500 CA GLY A 32 -4.060 -4.452 1.030 1.00 14.53 C ATOM 501 C GLY A 32 -3.710 -5.332 2.217 1.00 4.23 C ATOM 502 O GLY A 32 -3.287 -6.471 2.038 1.00 3.23 O ATOM 0 H GLY A 32 -5.394 -2.853 1.146 1.00 74.23 H new ATOM 0 HA2 GLY A 32 -4.003 -5.041 0.114 1.00 14.53 H new ATOM 0 HA3 GLY A 32 -3.323 -3.653 0.942 1.00 14.53 H new ATOM 506 N LEU A 33 -3.949 -4.801 3.437 1.00 44.33 N ATOM 507 CA LEU A 33 -3.728 -5.537 4.693 1.00 44.22 C ATOM 508 C LEU A 33 -4.575 -6.835 4.718 1.00 21.12 C ATOM 509 O LEU A 33 -4.060 -7.897 5.052 1.00 4.55 O ATOM 510 CB LEU A 33 -4.074 -4.647 5.921 1.00 63.24 C ATOM 511 CG LEU A 33 -3.202 -3.366 6.138 1.00 73.25 C ATOM 512 CD1 LEU A 33 -3.714 -2.546 7.346 1.00 74.13 C ATOM 513 CD2 LEU A 33 -1.709 -3.721 6.294 1.00 44.43 C ATOM 0 H LEU A 33 -4.299 -3.853 3.574 1.00 44.33 H new ATOM 0 HA LEU A 33 -2.673 -5.806 4.747 1.00 44.22 H new ATOM 0 HB2 LEU A 33 -5.115 -4.337 5.832 1.00 63.24 H new ATOM 0 HB3 LEU A 33 -4.000 -5.263 6.817 1.00 63.24 H new ATOM 0 HG LEU A 33 -3.297 -2.744 5.248 1.00 73.25 H new ATOM 0 HD11 LEU A 33 -3.091 -1.661 7.475 1.00 74.13 H new ATOM 0 HD12 LEU A 33 -4.745 -2.241 7.168 1.00 74.13 H new ATOM 0 HD13 LEU A 33 -3.667 -3.158 8.247 1.00 74.13 H new ATOM 0 HD21 LEU A 33 -1.132 -2.809 6.443 1.00 44.43 H new ATOM 0 HD22 LEU A 33 -1.579 -4.377 7.155 1.00 44.43 H new ATOM 0 HD23 LEU A 33 -1.360 -4.228 5.395 1.00 44.43 H new ATOM 525 N GLU A 34 -5.851 -6.719 4.284 1.00 31.44 N ATOM 526 CA GLU A 34 -6.840 -7.825 4.296 1.00 71.14 C ATOM 527 C GLU A 34 -6.428 -8.978 3.359 1.00 32.31 C ATOM 528 O GLU A 34 -6.631 -10.157 3.686 1.00 11.03 O ATOM 529 CB GLU A 34 -8.245 -7.292 3.906 1.00 54.42 C ATOM 530 CG GLU A 34 -8.829 -6.212 4.846 1.00 10.01 C ATOM 531 CD GLU A 34 -9.081 -6.681 6.290 1.00 72.42 C ATOM 532 OE1 GLU A 34 -8.128 -6.726 7.097 1.00 33.22 O ATOM 533 OE2 GLU A 34 -10.236 -6.996 6.628 1.00 1.43 O ATOM 0 H GLU A 34 -6.228 -5.847 3.912 1.00 31.44 H new ATOM 0 HA GLU A 34 -6.874 -8.224 5.310 1.00 71.14 H new ATOM 0 HB2 GLU A 34 -8.192 -6.882 2.898 1.00 54.42 H new ATOM 0 HB3 GLU A 34 -8.938 -8.133 3.872 1.00 54.42 H new ATOM 0 HG2 GLU A 34 -8.146 -5.363 4.869 1.00 10.01 H new ATOM 0 HG3 GLU A 34 -9.769 -5.854 4.426 1.00 10.01 H new ATOM 540 N LYS A 35 -5.850 -8.618 2.199 1.00 50.43 N ATOM 541 CA LYS A 35 -5.277 -9.589 1.253 1.00 44.52 C ATOM 542 C LYS A 35 -4.020 -10.241 1.863 1.00 41.43 C ATOM 543 O LYS A 35 -3.850 -11.463 1.787 1.00 13.23 O ATOM 544 CB LYS A 35 -4.945 -8.906 -0.103 1.00 43.22 C ATOM 545 CG LYS A 35 -6.170 -8.415 -0.902 1.00 23.50 C ATOM 546 CD LYS A 35 -7.177 -9.540 -1.208 1.00 14.10 C ATOM 547 CE LYS A 35 -8.368 -9.065 -2.052 1.00 72.40 C ATOM 548 NZ LYS A 35 -7.971 -8.689 -3.437 1.00 13.43 N ATOM 0 H LYS A 35 -5.768 -7.649 1.893 1.00 50.43 H new ATOM 0 HA LYS A 35 -6.014 -10.369 1.062 1.00 44.52 H new ATOM 0 HB2 LYS A 35 -4.289 -8.056 0.086 1.00 43.22 H new ATOM 0 HB3 LYS A 35 -4.386 -9.609 -0.720 1.00 43.22 H new ATOM 0 HG2 LYS A 35 -6.672 -7.628 -0.340 1.00 23.50 H new ATOM 0 HG3 LYS A 35 -5.832 -7.972 -1.839 1.00 23.50 H new ATOM 0 HD2 LYS A 35 -6.665 -10.346 -1.734 1.00 14.10 H new ATOM 0 HD3 LYS A 35 -7.546 -9.955 -0.270 1.00 14.10 H new ATOM 0 HE2 LYS A 35 -9.118 -9.855 -2.094 1.00 72.40 H new ATOM 0 HE3 LYS A 35 -8.835 -8.208 -1.566 1.00 72.40 H new ATOM 0 HZ1 LYS A 35 -8.649 -9.093 -4.114 1.00 13.43 H new ATOM 0 HZ2 LYS A 35 -7.967 -7.653 -3.528 1.00 13.43 H new ATOM 0 HZ3 LYS A 35 -7.020 -9.058 -3.638 1.00 13.43 H new ATOM 562 N ASN A 36 -3.183 -9.409 2.515 1.00 14.44 N ATOM 563 CA ASN A 36 -1.922 -9.843 3.156 1.00 33.40 C ATOM 564 C ASN A 36 -2.210 -10.812 4.330 1.00 22.42 C ATOM 565 O ASN A 36 -1.403 -11.704 4.613 1.00 55.33 O ATOM 566 CB ASN A 36 -1.110 -8.596 3.630 1.00 13.40 C ATOM 567 CG ASN A 36 0.307 -8.908 4.129 1.00 4.10 C ATOM 568 OD1 ASN A 36 0.954 -9.858 3.677 1.00 43.24 O ATOM 569 ND2 ASN A 36 0.809 -8.097 5.052 1.00 31.41 N ATOM 0 H ASN A 36 -3.363 -8.410 2.613 1.00 14.44 H new ATOM 0 HA ASN A 36 -1.320 -10.385 2.426 1.00 33.40 H new ATOM 0 HB2 ASN A 36 -1.042 -7.888 2.804 1.00 13.40 H new ATOM 0 HB3 ASN A 36 -1.662 -8.102 4.430 1.00 13.40 H new ATOM 0 HD21 ASN A 36 1.753 -8.250 5.407 1.00 31.41 H new ATOM 0 HD22 ASN A 36 0.251 -7.320 5.407 1.00 31.41 H new ATOM 576 N LYS A 37 -3.401 -10.659 4.967 1.00 73.41 N ATOM 577 CA LYS A 37 -3.872 -11.559 6.053 1.00 15.02 C ATOM 578 C LYS A 37 -4.050 -12.993 5.528 1.00 22.42 C ATOM 579 O LYS A 37 -3.696 -13.962 6.201 1.00 50.10 O ATOM 580 CB LYS A 37 -5.236 -11.084 6.648 1.00 24.15 C ATOM 581 CG LYS A 37 -5.251 -9.671 7.255 1.00 54.43 C ATOM 582 CD LYS A 37 -4.233 -9.475 8.390 1.00 1.41 C ATOM 583 CE LYS A 37 -4.202 -8.026 8.897 1.00 31.20 C ATOM 584 NZ LYS A 37 -3.204 -7.853 9.987 1.00 52.35 N ATOM 0 H LYS A 37 -4.059 -9.912 4.743 1.00 73.41 H new ATOM 0 HA LYS A 37 -3.112 -11.533 6.834 1.00 15.02 H new ATOM 0 HB2 LYS A 37 -5.988 -11.128 5.860 1.00 24.15 H new ATOM 0 HB3 LYS A 37 -5.540 -11.792 7.419 1.00 24.15 H new ATOM 0 HG2 LYS A 37 -5.048 -8.945 6.468 1.00 54.43 H new ATOM 0 HG3 LYS A 37 -6.250 -9.459 7.635 1.00 54.43 H new ATOM 0 HD2 LYS A 37 -4.479 -10.142 9.216 1.00 1.41 H new ATOM 0 HD3 LYS A 37 -3.240 -9.756 8.038 1.00 1.41 H new ATOM 0 HE2 LYS A 37 -3.962 -7.355 8.072 1.00 31.20 H new ATOM 0 HE3 LYS A 37 -5.191 -7.744 9.259 1.00 31.20 H new ATOM 0 HZ1 LYS A 37 -3.208 -6.864 10.307 1.00 52.35 H new ATOM 0 HZ2 LYS A 37 -3.448 -8.476 10.783 1.00 52.35 H new ATOM 0 HZ3 LYS A 37 -2.257 -8.099 9.633 1.00 52.35 H new ATOM 598 N MET A 38 -4.611 -13.090 4.313 1.00 33.12 N ATOM 599 CA MET A 38 -4.912 -14.371 3.646 1.00 1.10 C ATOM 600 C MET A 38 -3.697 -14.884 2.849 1.00 44.44 C ATOM 601 O MET A 38 -3.761 -15.959 2.241 1.00 54.12 O ATOM 602 CB MET A 38 -6.135 -14.183 2.710 1.00 12.24 C ATOM 603 CG MET A 38 -7.363 -13.545 3.385 1.00 64.45 C ATOM 604 SD MET A 38 -8.753 -13.335 2.262 1.00 45.15 S ATOM 605 CE MET A 38 -8.011 -12.406 0.919 1.00 11.11 C ATOM 0 H MET A 38 -4.872 -12.275 3.758 1.00 33.12 H new ATOM 0 HA MET A 38 -5.144 -15.117 4.406 1.00 1.10 H new ATOM 0 HB2 MET A 38 -5.838 -13.563 1.865 1.00 12.24 H new ATOM 0 HB3 MET A 38 -6.421 -15.155 2.307 1.00 12.24 H new ATOM 0 HG2 MET A 38 -7.673 -14.166 4.225 1.00 64.45 H new ATOM 0 HG3 MET A 38 -7.083 -12.574 3.793 1.00 64.45 H new ATOM 0 HE1 MET A 38 -8.788 -12.086 0.225 1.00 11.11 H new ATOM 0 HE2 MET A 38 -7.500 -11.531 1.321 1.00 11.11 H new ATOM 0 HE3 MET A 38 -7.293 -13.036 0.394 1.00 11.11 H new ATOM 615 N GLY A 39 -2.608 -14.090 2.845 1.00 32.12 N ATOM 616 CA GLY A 39 -1.363 -14.456 2.172 1.00 2.14 C ATOM 617 C GLY A 39 -1.225 -13.863 0.777 1.00 31.23 C ATOM 618 O GLY A 39 -0.174 -14.010 0.160 1.00 34.13 O ATOM 0 H GLY A 39 -2.575 -13.182 3.309 1.00 32.12 H new ATOM 0 HA2 GLY A 39 -0.521 -14.128 2.782 1.00 2.14 H new ATOM 0 HA3 GLY A 39 -1.303 -15.542 2.103 1.00 2.14 H new ATOM 622 N LYS A 40 -2.289 -13.207 0.272 1.00 30.23 N ATOM 623 CA LYS A 40 -2.274 -12.543 -1.048 1.00 54.14 C ATOM 624 C LYS A 40 -1.484 -11.224 -0.977 1.00 63.43 C ATOM 625 O LYS A 40 -2.048 -10.130 -0.911 1.00 41.12 O ATOM 626 CB LYS A 40 -3.724 -12.329 -1.564 1.00 15.54 C ATOM 627 CG LYS A 40 -4.495 -13.645 -1.783 1.00 44.03 C ATOM 628 CD LYS A 40 -5.862 -13.439 -2.457 1.00 63.50 C ATOM 629 CE LYS A 40 -6.530 -14.763 -2.857 1.00 73.33 C ATOM 630 NZ LYS A 40 -7.764 -14.521 -3.642 1.00 24.53 N ATOM 0 H LYS A 40 -3.178 -13.122 0.764 1.00 30.23 H new ATOM 0 HA LYS A 40 -1.766 -13.187 -1.766 1.00 54.14 H new ATOM 0 HB2 LYS A 40 -4.269 -11.712 -0.850 1.00 15.54 H new ATOM 0 HB3 LYS A 40 -3.690 -11.776 -2.503 1.00 15.54 H new ATOM 0 HG2 LYS A 40 -3.892 -14.315 -2.396 1.00 44.03 H new ATOM 0 HG3 LYS A 40 -4.641 -14.138 -0.822 1.00 44.03 H new ATOM 0 HD2 LYS A 40 -6.519 -12.896 -1.778 1.00 63.50 H new ATOM 0 HD3 LYS A 40 -5.736 -12.818 -3.344 1.00 63.50 H new ATOM 0 HE2 LYS A 40 -5.834 -15.363 -3.443 1.00 73.33 H new ATOM 0 HE3 LYS A 40 -6.771 -15.337 -1.963 1.00 73.33 H new ATOM 0 HZ1 LYS A 40 -8.196 -15.431 -3.900 1.00 24.53 H new ATOM 0 HZ2 LYS A 40 -8.436 -13.968 -3.072 1.00 24.53 H new ATOM 0 HZ3 LYS A 40 -7.528 -13.993 -4.506 1.00 24.53 H new ATOM 644 N ALA A 41 -0.155 -11.371 -0.982 1.00 61.23 N ATOM 645 CA ALA A 41 0.797 -10.289 -0.717 1.00 30.51 C ATOM 646 C ALA A 41 1.142 -9.481 -1.983 1.00 13.54 C ATOM 647 O ALA A 41 1.555 -8.329 -1.880 1.00 34.24 O ATOM 648 CB ALA A 41 2.048 -10.886 -0.071 1.00 31.54 C ATOM 0 H ALA A 41 0.298 -12.265 -1.175 1.00 61.23 H new ATOM 0 HA ALA A 41 0.335 -9.577 -0.034 1.00 30.51 H new ATOM 0 HB1 ALA A 41 2.767 -10.092 0.132 1.00 31.54 H new ATOM 0 HB2 ALA A 41 1.776 -11.377 0.863 1.00 31.54 H new ATOM 0 HB3 ALA A 41 2.494 -11.615 -0.748 1.00 31.54 H new ATOM 654 N ARG A 42 0.982 -10.089 -3.175 1.00 13.32 N ATOM 655 CA ARG A 42 1.212 -9.386 -4.457 1.00 22.34 C ATOM 656 C ARG A 42 0.054 -8.413 -4.725 1.00 24.02 C ATOM 657 O ARG A 42 0.275 -7.285 -5.190 1.00 32.22 O ATOM 658 CB ARG A 42 1.415 -10.400 -5.620 1.00 0.11 C ATOM 659 CG ARG A 42 2.010 -9.792 -6.928 1.00 4.33 C ATOM 660 CD ARG A 42 0.953 -9.344 -7.947 1.00 15.04 C ATOM 661 NE ARG A 42 0.231 -10.495 -8.514 1.00 60.54 N ATOM 662 CZ ARG A 42 -0.525 -10.475 -9.627 1.00 43.15 C ATOM 663 NH1 ARG A 42 -0.696 -9.350 -10.326 1.00 5.51 N ATOM 664 NH2 ARG A 42 -1.081 -11.600 -10.049 1.00 0.32 N ATOM 0 H ARG A 42 0.695 -11.062 -3.279 1.00 13.32 H new ATOM 0 HA ARG A 42 2.131 -8.804 -4.391 1.00 22.34 H new ATOM 0 HB2 ARG A 42 2.073 -11.198 -5.276 1.00 0.11 H new ATOM 0 HB3 ARG A 42 0.454 -10.858 -5.854 1.00 0.11 H new ATOM 0 HG2 ARG A 42 2.634 -8.937 -6.668 1.00 4.33 H new ATOM 0 HG3 ARG A 42 2.661 -10.531 -7.396 1.00 4.33 H new ATOM 0 HD2 ARG A 42 0.245 -8.669 -7.466 1.00 15.04 H new ATOM 0 HD3 ARG A 42 1.433 -8.783 -8.749 1.00 15.04 H new ATOM 0 HE ARG A 42 0.311 -11.384 -8.021 1.00 60.54 H new ATOM 0 HH11 ARG A 42 -0.250 -8.486 -10.019 1.00 5.51 H new ATOM 0 HH12 ARG A 42 -1.273 -9.355 -11.167 1.00 5.51 H new ATOM 0 HH21 ARG A 42 -0.934 -12.467 -9.532 1.00 0.32 H new ATOM 0 HH22 ARG A 42 -1.657 -11.600 -10.891 1.00 0.32 H new ATOM 678 N GLU A 43 -1.179 -8.869 -4.405 1.00 11.42 N ATOM 679 CA GLU A 43 -2.371 -8.010 -4.433 1.00 60.04 C ATOM 680 C GLU A 43 -2.254 -6.938 -3.358 1.00 64.21 C ATOM 681 O GLU A 43 -2.551 -5.774 -3.617 1.00 0.13 O ATOM 682 CB GLU A 43 -3.691 -8.801 -4.231 1.00 1.35 C ATOM 683 CG GLU A 43 -4.040 -9.798 -5.360 1.00 52.41 C ATOM 684 CD GLU A 43 -5.512 -10.256 -5.322 1.00 43.22 C ATOM 685 OE1 GLU A 43 -5.964 -10.735 -4.269 1.00 61.41 O ATOM 686 OE2 GLU A 43 -6.237 -10.094 -6.332 1.00 23.04 O ATOM 0 H GLU A 43 -1.368 -9.831 -4.124 1.00 11.42 H new ATOM 0 HA GLU A 43 -2.414 -7.558 -5.424 1.00 60.04 H new ATOM 0 HB2 GLU A 43 -3.627 -9.349 -3.291 1.00 1.35 H new ATOM 0 HB3 GLU A 43 -4.511 -8.089 -4.130 1.00 1.35 H new ATOM 0 HG2 GLU A 43 -3.834 -9.334 -6.324 1.00 52.41 H new ATOM 0 HG3 GLU A 43 -3.391 -10.670 -5.281 1.00 52.41 H new ATOM 693 N ALA A 44 -1.782 -7.350 -2.163 1.00 1.01 N ATOM 694 CA ALA A 44 -1.584 -6.450 -1.021 1.00 52.21 C ATOM 695 C ALA A 44 -0.715 -5.254 -1.413 1.00 35.05 C ATOM 696 O ALA A 44 -1.152 -4.108 -1.287 1.00 44.34 O ATOM 697 CB ALA A 44 -0.959 -7.204 0.153 1.00 61.10 C ATOM 0 H ALA A 44 -1.529 -8.319 -1.968 1.00 1.01 H new ATOM 0 HA ALA A 44 -2.559 -6.074 -0.712 1.00 52.21 H new ATOM 0 HB1 ALA A 44 -0.819 -6.521 0.991 1.00 61.10 H new ATOM 0 HB2 ALA A 44 -1.618 -8.018 0.454 1.00 61.10 H new ATOM 0 HB3 ALA A 44 0.006 -7.611 -0.148 1.00 61.10 H new ATOM 703 N ALA A 45 0.477 -5.558 -1.966 1.00 61.11 N ATOM 704 CA ALA A 45 1.452 -4.555 -2.430 1.00 32.51 C ATOM 705 C ALA A 45 0.842 -3.620 -3.488 1.00 31.42 C ATOM 706 O ALA A 45 1.130 -2.419 -3.512 1.00 50.22 O ATOM 707 CB ALA A 45 2.691 -5.262 -2.996 1.00 52.11 C ATOM 0 H ALA A 45 0.791 -6.519 -2.104 1.00 61.11 H new ATOM 0 HA ALA A 45 1.741 -3.941 -1.577 1.00 32.51 H new ATOM 0 HB1 ALA A 45 3.410 -4.518 -3.338 1.00 52.11 H new ATOM 0 HB2 ALA A 45 3.146 -5.876 -2.219 1.00 52.11 H new ATOM 0 HB3 ALA A 45 2.398 -5.895 -3.833 1.00 52.11 H new ATOM 713 N GLU A 46 -0.017 -4.199 -4.341 1.00 1.14 N ATOM 714 CA GLU A 46 -0.692 -3.486 -5.442 1.00 41.50 C ATOM 715 C GLU A 46 -1.689 -2.444 -4.884 1.00 5.22 C ATOM 716 O GLU A 46 -1.762 -1.325 -5.394 1.00 32.31 O ATOM 717 CB GLU A 46 -1.345 -4.550 -6.373 1.00 4.10 C ATOM 718 CG GLU A 46 -1.728 -4.092 -7.803 1.00 4.25 C ATOM 719 CD GLU A 46 -3.060 -3.334 -7.898 1.00 74.12 C ATOM 720 OE1 GLU A 46 -4.096 -3.880 -7.473 1.00 25.14 O ATOM 721 OE2 GLU A 46 -3.090 -2.200 -8.415 1.00 61.52 O ATOM 0 H GLU A 46 -0.267 -5.186 -4.287 1.00 1.14 H new ATOM 0 HA GLU A 46 0.017 -2.910 -6.037 1.00 41.50 H new ATOM 0 HB2 GLU A 46 -0.658 -5.392 -6.459 1.00 4.10 H new ATOM 0 HB3 GLU A 46 -2.245 -4.922 -5.884 1.00 4.10 H new ATOM 0 HG2 GLU A 46 -0.934 -3.454 -8.190 1.00 4.25 H new ATOM 0 HG3 GLU A 46 -1.777 -4.968 -8.450 1.00 4.25 H new ATOM 728 N TYR A 47 -2.405 -2.808 -3.800 1.00 31.24 N ATOM 729 CA TYR A 47 -3.324 -1.889 -3.087 1.00 61.52 C ATOM 730 C TYR A 47 -2.553 -0.817 -2.292 1.00 12.35 C ATOM 731 O TYR A 47 -3.005 0.330 -2.190 1.00 53.45 O ATOM 732 CB TYR A 47 -4.237 -2.670 -2.116 1.00 71.22 C ATOM 733 CG TYR A 47 -5.271 -3.578 -2.782 1.00 5.42 C ATOM 734 CD1 TYR A 47 -6.310 -3.041 -3.534 1.00 4.45 C ATOM 735 CD2 TYR A 47 -5.224 -4.964 -2.647 1.00 71.11 C ATOM 736 CE1 TYR A 47 -7.260 -3.849 -4.118 1.00 34.15 C ATOM 737 CE2 TYR A 47 -6.169 -5.774 -3.234 1.00 4.51 C ATOM 738 CZ TYR A 47 -7.183 -5.217 -3.973 1.00 23.31 C ATOM 739 OH TYR A 47 -8.131 -6.031 -4.549 1.00 42.10 O ATOM 0 H TYR A 47 -2.365 -3.743 -3.394 1.00 31.24 H new ATOM 0 HA TYR A 47 -3.930 -1.396 -3.847 1.00 61.52 H new ATOM 0 HB2 TYR A 47 -3.610 -3.278 -1.463 1.00 71.22 H new ATOM 0 HB3 TYR A 47 -4.760 -1.955 -1.481 1.00 71.22 H new ATOM 0 HD1 TYR A 47 -6.373 -1.971 -3.662 1.00 4.45 H new ATOM 0 HD2 TYR A 47 -4.429 -5.412 -2.069 1.00 71.11 H new ATOM 0 HE1 TYR A 47 -8.065 -3.411 -4.689 1.00 34.15 H new ATOM 0 HE2 TYR A 47 -6.113 -6.846 -3.114 1.00 4.51 H new ATOM 0 HH TYR A 47 -8.476 -5.607 -5.363 1.00 42.10 H new ATOM 749 N PHE A 48 -1.396 -1.217 -1.721 1.00 33.41 N ATOM 750 CA PHE A 48 -0.522 -0.311 -0.946 1.00 23.10 C ATOM 751 C PHE A 48 0.090 0.756 -1.848 1.00 54.04 C ATOM 752 O PHE A 48 0.391 1.855 -1.384 1.00 2.51 O ATOM 753 CB PHE A 48 0.620 -1.085 -0.231 1.00 54.32 C ATOM 754 CG PHE A 48 0.168 -2.073 0.840 1.00 12.33 C ATOM 755 CD1 PHE A 48 -0.838 -1.742 1.740 1.00 50.22 C ATOM 756 CD2 PHE A 48 0.765 -3.325 0.962 1.00 32.15 C ATOM 757 CE1 PHE A 48 -1.231 -2.629 2.719 1.00 0.22 C ATOM 758 CE2 PHE A 48 0.370 -4.217 1.943 1.00 23.10 C ATOM 759 CZ PHE A 48 -0.628 -3.869 2.819 1.00 30.34 C ATOM 0 H PHE A 48 -1.043 -2.172 -1.784 1.00 33.41 H new ATOM 0 HA PHE A 48 -1.150 0.163 -0.191 1.00 23.10 H new ATOM 0 HB2 PHE A 48 1.195 -1.627 -0.982 1.00 54.32 H new ATOM 0 HB3 PHE A 48 1.295 -0.362 0.227 1.00 54.32 H new ATOM 0 HD1 PHE A 48 -1.318 -0.777 1.671 1.00 50.22 H new ATOM 0 HD2 PHE A 48 1.552 -3.605 0.277 1.00 32.15 H new ATOM 0 HE1 PHE A 48 -2.013 -2.354 3.411 1.00 0.22 H new ATOM 0 HE2 PHE A 48 0.845 -5.184 2.019 1.00 23.10 H new ATOM 0 HZ PHE A 48 -0.942 -4.563 3.585 1.00 30.34 H new ATOM 769 N PHE A 49 0.290 0.398 -3.127 1.00 52.34 N ATOM 770 CA PHE A 49 0.815 1.317 -4.140 1.00 73.23 C ATOM 771 C PHE A 49 -0.220 2.388 -4.480 1.00 25.51 C ATOM 772 O PHE A 49 0.108 3.576 -4.502 1.00 21.14 O ATOM 773 CB PHE A 49 1.247 0.552 -5.415 1.00 44.01 C ATOM 774 CG PHE A 49 1.962 1.430 -6.442 1.00 74.03 C ATOM 775 CD1 PHE A 49 3.017 2.245 -6.047 1.00 21.11 C ATOM 776 CD2 PHE A 49 1.588 1.452 -7.789 1.00 71.34 C ATOM 777 CE1 PHE A 49 3.674 3.032 -6.956 1.00 1.35 C ATOM 778 CE2 PHE A 49 2.254 2.247 -8.701 1.00 74.42 C ATOM 779 CZ PHE A 49 3.299 3.045 -8.278 1.00 3.22 C ATOM 0 H PHE A 49 0.091 -0.537 -3.484 1.00 52.34 H new ATOM 0 HA PHE A 49 1.697 1.807 -3.727 1.00 73.23 H new ATOM 0 HB2 PHE A 49 1.905 -0.269 -5.131 1.00 44.01 H new ATOM 0 HB3 PHE A 49 0.366 0.109 -5.879 1.00 44.01 H new ATOM 0 HD1 PHE A 49 3.322 2.258 -5.011 1.00 21.11 H new ATOM 0 HD2 PHE A 49 0.765 0.837 -8.122 1.00 71.34 H new ATOM 0 HE1 PHE A 49 4.497 3.650 -6.629 1.00 1.35 H new ATOM 0 HE2 PHE A 49 1.959 2.245 -9.740 1.00 74.42 H new ATOM 0 HZ PHE A 49 3.819 3.676 -8.983 1.00 3.22 H new ATOM 789 N ARG A 50 -1.471 1.942 -4.725 1.00 21.24 N ATOM 790 CA ARG A 50 -2.616 2.835 -4.994 1.00 10.22 C ATOM 791 C ARG A 50 -2.788 3.836 -3.831 1.00 71.50 C ATOM 792 O ARG A 50 -2.952 5.045 -4.038 1.00 61.01 O ATOM 793 CB ARG A 50 -3.929 2.032 -5.121 1.00 64.33 C ATOM 794 CG ARG A 50 -3.994 0.905 -6.168 1.00 23.23 C ATOM 795 CD ARG A 50 -5.357 0.171 -6.120 1.00 1.32 C ATOM 796 NE ARG A 50 -5.411 -0.975 -7.028 1.00 41.11 N ATOM 797 CZ ARG A 50 -6.518 -1.452 -7.630 1.00 62.43 C ATOM 798 NH1 ARG A 50 -7.715 -0.890 -7.428 1.00 74.22 N ATOM 799 NH2 ARG A 50 -6.404 -2.493 -8.442 1.00 24.04 N ATOM 0 H ARG A 50 -1.714 0.952 -4.742 1.00 21.24 H new ATOM 0 HA ARG A 50 -2.412 3.357 -5.929 1.00 10.22 H new ATOM 0 HB2 ARG A 50 -4.147 1.594 -4.147 1.00 64.33 H new ATOM 0 HB3 ARG A 50 -4.731 2.737 -5.341 1.00 64.33 H new ATOM 0 HG2 ARG A 50 -3.837 1.321 -7.163 1.00 23.23 H new ATOM 0 HG3 ARG A 50 -3.188 0.193 -5.989 1.00 23.23 H new ATOM 0 HD2 ARG A 50 -5.547 -0.168 -5.102 1.00 1.32 H new ATOM 0 HD3 ARG A 50 -6.152 0.871 -6.377 1.00 1.32 H new ATOM 0 HE ARG A 50 -4.533 -1.456 -7.223 1.00 41.11 H new ATOM 0 HH11 ARG A 50 -7.802 -0.085 -6.808 1.00 74.22 H new ATOM 0 HH12 ARG A 50 -8.540 -1.267 -7.894 1.00 74.22 H new ATOM 0 HH21 ARG A 50 -5.490 -2.918 -8.601 1.00 24.04 H new ATOM 0 HH22 ARG A 50 -7.230 -2.869 -8.908 1.00 24.04 H new ATOM 813 N ALA A 51 -2.738 3.278 -2.605 1.00 61.52 N ATOM 814 CA ALA A 51 -2.866 4.029 -1.356 1.00 50.23 C ATOM 815 C ALA A 51 -1.725 5.047 -1.220 1.00 73.12 C ATOM 816 O ALA A 51 -1.975 6.209 -0.913 1.00 53.04 O ATOM 817 CB ALA A 51 -2.882 3.053 -0.170 1.00 22.03 C ATOM 0 H ALA A 51 -2.605 2.277 -2.461 1.00 61.52 H new ATOM 0 HA ALA A 51 -3.804 4.584 -1.364 1.00 50.23 H new ATOM 0 HB1 ALA A 51 -2.977 3.613 0.760 1.00 22.03 H new ATOM 0 HB2 ALA A 51 -3.726 2.371 -0.271 1.00 22.03 H new ATOM 0 HB3 ALA A 51 -1.954 2.482 -0.156 1.00 22.03 H new ATOM 823 N ALA A 52 -0.487 4.595 -1.520 1.00 43.21 N ATOM 824 CA ALA A 52 0.742 5.417 -1.381 1.00 73.01 C ATOM 825 C ALA A 52 0.735 6.626 -2.333 1.00 34.33 C ATOM 826 O ALA A 52 1.303 7.673 -2.007 1.00 72.14 O ATOM 827 CB ALA A 52 1.997 4.565 -1.623 1.00 21.30 C ATOM 0 H ALA A 52 -0.309 3.652 -1.865 1.00 43.21 H new ATOM 0 HA ALA A 52 0.760 5.796 -0.359 1.00 73.01 H new ATOM 0 HB1 ALA A 52 2.885 5.187 -1.516 1.00 21.30 H new ATOM 0 HB2 ALA A 52 2.032 3.754 -0.895 1.00 21.30 H new ATOM 0 HB3 ALA A 52 1.965 4.148 -2.630 1.00 21.30 H new ATOM 833 N ILE A 53 0.098 6.451 -3.513 1.00 72.15 N ATOM 834 CA ILE A 53 -0.123 7.536 -4.490 1.00 12.41 C ATOM 835 C ILE A 53 -0.995 8.639 -3.854 1.00 25.04 C ATOM 836 O ILE A 53 -0.623 9.809 -3.873 1.00 71.32 O ATOM 837 CB ILE A 53 -0.814 6.999 -5.815 1.00 34.31 C ATOM 838 CG1 ILE A 53 0.119 6.004 -6.579 1.00 4.43 C ATOM 839 CG2 ILE A 53 -1.257 8.157 -6.750 1.00 73.10 C ATOM 840 CD1 ILE A 53 -0.515 5.306 -7.778 1.00 1.21 C ATOM 0 H ILE A 53 -0.277 5.551 -3.813 1.00 72.15 H new ATOM 0 HA ILE A 53 0.849 7.945 -4.764 1.00 12.41 H new ATOM 0 HB ILE A 53 -1.711 6.462 -5.507 1.00 34.31 H new ATOM 0 HG12 ILE A 53 1.000 6.547 -6.920 1.00 4.43 H new ATOM 0 HG13 ILE A 53 0.464 5.244 -5.878 1.00 4.43 H new ATOM 0 HG21 ILE A 53 -1.725 7.744 -7.644 1.00 73.10 H new ATOM 0 HG22 ILE A 53 -1.971 8.793 -6.228 1.00 73.10 H new ATOM 0 HG23 ILE A 53 -0.386 8.747 -7.036 1.00 73.10 H new ATOM 0 HD11 ILE A 53 0.214 4.638 -8.238 1.00 1.21 H new ATOM 0 HD12 ILE A 53 -1.379 4.728 -7.448 1.00 1.21 H new ATOM 0 HD13 ILE A 53 -0.834 6.052 -8.506 1.00 1.21 H new ATOM 852 N VAL A 54 -2.131 8.222 -3.261 1.00 24.12 N ATOM 853 CA VAL A 54 -3.130 9.141 -2.678 1.00 21.31 C ATOM 854 C VAL A 54 -2.563 9.855 -1.427 1.00 73.01 C ATOM 855 O VAL A 54 -2.759 11.069 -1.249 1.00 13.15 O ATOM 856 CB VAL A 54 -4.453 8.367 -2.311 1.00 4.14 C ATOM 857 CG1 VAL A 54 -5.539 9.313 -1.751 1.00 62.54 C ATOM 858 CG2 VAL A 54 -4.992 7.569 -3.524 1.00 43.43 C ATOM 0 H VAL A 54 -2.383 7.237 -3.172 1.00 24.12 H new ATOM 0 HA VAL A 54 -3.365 9.897 -3.427 1.00 21.31 H new ATOM 0 HB VAL A 54 -4.198 7.658 -1.523 1.00 4.14 H new ATOM 0 HG11 VAL A 54 -6.434 8.738 -1.511 1.00 62.54 H new ATOM 0 HG12 VAL A 54 -5.168 9.800 -0.849 1.00 62.54 H new ATOM 0 HG13 VAL A 54 -5.783 10.069 -2.497 1.00 62.54 H new ATOM 0 HG21 VAL A 54 -5.905 7.046 -3.239 1.00 43.43 H new ATOM 0 HG22 VAL A 54 -5.207 8.254 -4.344 1.00 43.43 H new ATOM 0 HG23 VAL A 54 -4.244 6.844 -3.844 1.00 43.43 H new ATOM 868 N PHE A 55 -1.842 9.085 -0.581 1.00 20.34 N ATOM 869 CA PHE A 55 -1.213 9.599 0.653 1.00 11.21 C ATOM 870 C PHE A 55 -0.142 10.654 0.338 1.00 25.52 C ATOM 871 O PHE A 55 -0.124 11.721 0.952 1.00 24.51 O ATOM 872 CB PHE A 55 -0.596 8.438 1.488 1.00 42.51 C ATOM 873 CG PHE A 55 -1.618 7.536 2.190 1.00 33.02 C ATOM 874 CD1 PHE A 55 -2.643 8.087 2.961 1.00 64.45 C ATOM 875 CD2 PHE A 55 -1.538 6.141 2.113 1.00 20.02 C ATOM 876 CE1 PHE A 55 -3.547 7.278 3.622 1.00 4.43 C ATOM 877 CE2 PHE A 55 -2.446 5.335 2.773 1.00 51.40 C ATOM 878 CZ PHE A 55 -3.448 5.903 3.526 1.00 63.24 C ATOM 0 H PHE A 55 -1.681 8.090 -0.736 1.00 20.34 H new ATOM 0 HA PHE A 55 -1.995 10.075 1.244 1.00 11.21 H new ATOM 0 HB2 PHE A 55 0.019 7.823 0.830 1.00 42.51 H new ATOM 0 HB3 PHE A 55 0.069 8.864 2.240 1.00 42.51 H new ATOM 0 HD1 PHE A 55 -2.731 9.160 3.042 1.00 64.45 H new ATOM 0 HD2 PHE A 55 -0.753 5.686 1.527 1.00 20.02 H new ATOM 0 HE1 PHE A 55 -4.333 7.721 4.215 1.00 4.43 H new ATOM 0 HE2 PHE A 55 -2.369 4.260 2.698 1.00 51.40 H new ATOM 0 HZ PHE A 55 -4.158 5.274 4.042 1.00 63.24 H new ATOM 888 N TYR A 56 0.743 10.338 -0.626 1.00 74.23 N ATOM 889 CA TYR A 56 1.815 11.255 -1.059 1.00 41.23 C ATOM 890 C TYR A 56 1.242 12.528 -1.704 1.00 3.03 C ATOM 891 O TYR A 56 1.703 13.641 -1.422 1.00 61.14 O ATOM 892 CB TYR A 56 2.761 10.559 -2.061 1.00 73.43 C ATOM 893 CG TYR A 56 3.852 11.499 -2.582 1.00 34.23 C ATOM 894 CD1 TYR A 56 4.825 12.003 -1.716 1.00 33.44 C ATOM 895 CD2 TYR A 56 3.882 11.926 -3.911 1.00 12.23 C ATOM 896 CE1 TYR A 56 5.792 12.875 -2.152 1.00 43.55 C ATOM 897 CE2 TYR A 56 4.846 12.804 -4.349 1.00 64.43 C ATOM 898 CZ TYR A 56 5.798 13.282 -3.465 1.00 72.45 C ATOM 899 OH TYR A 56 6.755 14.174 -3.899 1.00 31.15 O ATOM 0 H TYR A 56 0.736 9.447 -1.123 1.00 74.23 H new ATOM 0 HA TYR A 56 2.375 11.536 -0.167 1.00 41.23 H new ATOM 0 HB2 TYR A 56 3.226 9.698 -1.580 1.00 73.43 H new ATOM 0 HB3 TYR A 56 2.180 10.179 -2.902 1.00 73.43 H new ATOM 0 HD1 TYR A 56 4.817 11.700 -0.679 1.00 33.44 H new ATOM 0 HD2 TYR A 56 3.138 11.562 -4.604 1.00 12.23 H new ATOM 0 HE1 TYR A 56 6.544 13.239 -1.467 1.00 43.55 H new ATOM 0 HE2 TYR A 56 4.860 13.120 -5.382 1.00 64.43 H new ATOM 0 HH TYR A 56 6.622 14.359 -4.852 1.00 31.15 H new ATOM 909 N LYS A 57 0.261 12.327 -2.587 1.00 62.03 N ATOM 910 CA LYS A 57 -0.460 13.399 -3.292 1.00 1.35 C ATOM 911 C LYS A 57 -1.080 14.400 -2.292 1.00 73.43 C ATOM 912 O LYS A 57 -1.058 15.619 -2.511 1.00 64.52 O ATOM 913 CB LYS A 57 -1.565 12.763 -4.180 1.00 34.31 C ATOM 914 CG LYS A 57 -2.125 13.661 -5.296 1.00 11.13 C ATOM 915 CD LYS A 57 -1.038 14.052 -6.323 1.00 33.31 C ATOM 916 CE LYS A 57 -1.607 14.782 -7.539 1.00 21.35 C ATOM 917 NZ LYS A 57 -0.540 15.219 -8.479 1.00 1.02 N ATOM 0 H LYS A 57 -0.065 11.394 -2.840 1.00 62.03 H new ATOM 0 HA LYS A 57 0.242 13.951 -3.917 1.00 1.35 H new ATOM 0 HB2 LYS A 57 -1.163 11.858 -4.635 1.00 34.31 H new ATOM 0 HB3 LYS A 57 -2.390 12.457 -3.537 1.00 34.31 H new ATOM 0 HG2 LYS A 57 -2.936 13.142 -5.806 1.00 11.13 H new ATOM 0 HG3 LYS A 57 -2.550 14.563 -4.857 1.00 11.13 H new ATOM 0 HD2 LYS A 57 -0.298 14.687 -5.837 1.00 33.31 H new ATOM 0 HD3 LYS A 57 -0.518 13.153 -6.655 1.00 33.31 H new ATOM 0 HE2 LYS A 57 -2.304 14.127 -8.062 1.00 21.35 H new ATOM 0 HE3 LYS A 57 -2.175 15.651 -7.207 1.00 21.35 H new ATOM 0 HZ1 LYS A 57 -0.970 15.710 -9.289 1.00 1.02 H new ATOM 0 HZ2 LYS A 57 0.111 15.865 -7.989 1.00 1.02 H new ATOM 0 HZ3 LYS A 57 -0.014 14.388 -8.817 1.00 1.02 H new ATOM 931 N GLU A 58 -1.612 13.853 -1.181 1.00 73.43 N ATOM 932 CA GLU A 58 -2.209 14.649 -0.092 1.00 52.12 C ATOM 933 C GLU A 58 -1.140 15.057 0.954 1.00 61.13 C ATOM 934 O GLU A 58 -1.408 15.889 1.824 1.00 42.25 O ATOM 935 CB GLU A 58 -3.368 13.839 0.557 1.00 14.12 C ATOM 936 CG GLU A 58 -4.303 14.661 1.470 1.00 55.32 C ATOM 937 CD GLU A 58 -4.898 15.897 0.766 1.00 21.52 C ATOM 938 OE1 GLU A 58 -5.566 15.741 -0.281 1.00 5.24 O ATOM 939 OE2 GLU A 58 -4.680 17.035 1.239 1.00 52.03 O ATOM 0 H GLU A 58 -1.640 12.847 -1.014 1.00 73.43 H new ATOM 0 HA GLU A 58 -2.614 15.574 -0.502 1.00 52.12 H new ATOM 0 HB2 GLU A 58 -3.964 13.386 -0.236 1.00 14.12 H new ATOM 0 HB3 GLU A 58 -2.940 13.023 1.140 1.00 14.12 H new ATOM 0 HG2 GLU A 58 -5.115 14.023 1.819 1.00 55.32 H new ATOM 0 HG3 GLU A 58 -3.749 14.983 2.352 1.00 55.32 H new ATOM 946 N HIS A 59 0.067 14.471 0.823 1.00 10.34 N ATOM 947 CA HIS A 59 1.249 14.745 1.681 1.00 24.23 C ATOM 948 C HIS A 59 1.022 14.301 3.137 1.00 20.40 C ATOM 949 O HIS A 59 1.574 14.878 4.081 1.00 12.44 O ATOM 950 CB HIS A 59 1.718 16.230 1.570 1.00 33.15 C ATOM 951 CG HIS A 59 2.322 16.570 0.225 1.00 52.25 C ATOM 952 ND1 HIS A 59 3.679 16.676 0.013 1.00 54.31 N ATOM 953 CD2 HIS A 59 1.747 16.820 -0.982 1.00 11.24 C ATOM 954 CE1 HIS A 59 3.908 16.974 -1.249 1.00 13.21 C ATOM 955 NE2 HIS A 59 2.758 17.064 -1.876 1.00 1.42 N ATOM 0 H HIS A 59 0.257 13.776 0.101 1.00 10.34 H new ATOM 0 HA HIS A 59 2.069 14.135 1.301 1.00 24.23 H new ATOM 0 HB2 HIS A 59 0.868 16.887 1.755 1.00 33.15 H new ATOM 0 HB3 HIS A 59 2.452 16.431 2.351 1.00 33.15 H new ATOM 0 HD2 HIS A 59 0.689 16.825 -1.197 1.00 11.24 H new ATOM 0 HE1 HIS A 59 4.881 17.120 -1.695 1.00 13.21 H new ATOM 0 HE2 HIS A 59 2.636 17.280 -2.865 1.00 1.42 H new ATOM 964 N ASP A 60 0.230 13.233 3.295 1.00 12.22 N ATOM 965 CA ASP A 60 0.073 12.532 4.567 1.00 43.34 C ATOM 966 C ASP A 60 1.278 11.593 4.767 1.00 44.43 C ATOM 967 O ASP A 60 1.362 10.529 4.137 1.00 43.44 O ATOM 968 CB ASP A 60 -1.264 11.749 4.589 1.00 24.13 C ATOM 969 CG ASP A 60 -1.453 10.908 5.864 1.00 44.13 C ATOM 970 OD1 ASP A 60 -1.343 11.468 6.972 1.00 63.00 O ATOM 971 OD2 ASP A 60 -1.671 9.690 5.772 1.00 64.34 O ATOM 0 H ASP A 60 -0.322 12.832 2.537 1.00 12.22 H new ATOM 0 HA ASP A 60 0.043 13.249 5.388 1.00 43.34 H new ATOM 0 HB2 ASP A 60 -2.091 12.453 4.500 1.00 24.13 H new ATOM 0 HB3 ASP A 60 -1.308 11.094 3.719 1.00 24.13 H new ATOM 976 N THR A 61 2.218 12.029 5.625 1.00 31.22 N ATOM 977 CA THR A 61 3.459 11.292 5.916 1.00 10.35 C ATOM 978 C THR A 61 3.205 10.011 6.715 1.00 32.42 C ATOM 979 O THR A 61 4.009 9.088 6.640 1.00 5.51 O ATOM 980 CB THR A 61 4.474 12.190 6.698 1.00 63.51 C ATOM 981 OG1 THR A 61 3.810 12.848 7.796 1.00 60.20 O ATOM 982 CG2 THR A 61 5.134 13.235 5.790 1.00 63.44 C ATOM 0 H THR A 61 2.137 12.907 6.138 1.00 31.22 H new ATOM 0 HA THR A 61 3.881 11.013 4.950 1.00 10.35 H new ATOM 0 HB THR A 61 5.259 11.538 7.080 1.00 63.51 H new ATOM 0 HG1 THR A 61 4.454 13.406 8.280 1.00 60.20 H new ATOM 0 HG21 THR A 61 5.831 13.836 6.374 1.00 63.44 H new ATOM 0 HG22 THR A 61 5.673 12.731 4.988 1.00 63.44 H new ATOM 0 HG23 THR A 61 4.368 13.881 5.362 1.00 63.44 H new ATOM 990 N ASP A 62 2.095 9.977 7.475 1.00 31.13 N ATOM 991 CA ASP A 62 1.728 8.818 8.313 1.00 43.04 C ATOM 992 C ASP A 62 1.436 7.603 7.419 1.00 65.00 C ATOM 993 O ASP A 62 2.117 6.572 7.502 1.00 12.52 O ATOM 994 CB ASP A 62 0.482 9.152 9.188 1.00 24.11 C ATOM 995 CG ASP A 62 -0.031 7.942 10.008 1.00 53.11 C ATOM 996 OD1 ASP A 62 0.453 7.725 11.143 1.00 14.24 O ATOM 997 OD2 ASP A 62 -0.923 7.207 9.531 1.00 14.20 O ATOM 0 H ASP A 62 1.429 10.748 7.526 1.00 31.13 H new ATOM 0 HA ASP A 62 2.562 8.583 8.975 1.00 43.04 H new ATOM 0 HB2 ASP A 62 0.732 9.965 9.870 1.00 24.11 H new ATOM 0 HB3 ASP A 62 -0.320 9.512 8.544 1.00 24.11 H new ATOM 1002 N GLY A 63 0.446 7.784 6.532 1.00 45.14 N ATOM 1003 CA GLY A 63 -0.030 6.725 5.659 1.00 3.35 C ATOM 1004 C GLY A 63 0.951 6.359 4.565 1.00 4.01 C ATOM 1005 O GLY A 63 0.980 5.212 4.135 1.00 63.11 O ATOM 0 H GLY A 63 -0.040 8.672 6.407 1.00 45.14 H new ATOM 0 HA2 GLY A 63 -0.242 5.839 6.258 1.00 3.35 H new ATOM 0 HA3 GLY A 63 -0.971 7.035 5.204 1.00 3.35 H new ATOM 1009 N LEU A 64 1.740 7.352 4.098 1.00 14.22 N ATOM 1010 CA LEU A 64 2.797 7.131 3.090 1.00 2.21 C ATOM 1011 C LEU A 64 3.943 6.280 3.679 1.00 74.24 C ATOM 1012 O LEU A 64 4.452 5.378 3.016 1.00 65.51 O ATOM 1013 CB LEU A 64 3.336 8.489 2.567 1.00 24.42 C ATOM 1014 CG LEU A 64 4.494 8.426 1.512 1.00 44.54 C ATOM 1015 CD1 LEU A 64 4.077 7.702 0.214 1.00 42.31 C ATOM 1016 CD2 LEU A 64 5.050 9.834 1.213 1.00 72.22 C ATOM 0 H LEU A 64 1.662 8.321 4.407 1.00 14.22 H new ATOM 0 HA LEU A 64 2.366 6.585 2.251 1.00 2.21 H new ATOM 0 HB2 LEU A 64 2.504 9.039 2.127 1.00 24.42 H new ATOM 0 HB3 LEU A 64 3.685 9.069 3.422 1.00 24.42 H new ATOM 0 HG LEU A 64 5.292 7.831 1.957 1.00 44.54 H new ATOM 0 HD11 LEU A 64 4.917 7.688 -0.481 1.00 42.31 H new ATOM 0 HD12 LEU A 64 3.781 6.679 0.447 1.00 42.31 H new ATOM 0 HD13 LEU A 64 3.238 8.227 -0.242 1.00 42.31 H new ATOM 0 HD21 LEU A 64 5.852 9.760 0.478 1.00 72.22 H new ATOM 0 HD22 LEU A 64 4.253 10.464 0.818 1.00 72.22 H new ATOM 0 HD23 LEU A 64 5.439 10.274 2.131 1.00 72.22 H new ATOM 1028 N ARG A 65 4.321 6.591 4.934 1.00 4.02 N ATOM 1029 CA ARG A 65 5.358 5.851 5.697 1.00 64.42 C ATOM 1030 C ARG A 65 4.943 4.390 5.891 1.00 4.33 C ATOM 1031 O ARG A 65 5.743 3.465 5.685 1.00 64.44 O ATOM 1032 CB ARG A 65 5.576 6.543 7.065 1.00 70.52 C ATOM 1033 CG ARG A 65 6.574 5.873 8.032 1.00 5.33 C ATOM 1034 CD ARG A 65 6.759 6.710 9.313 1.00 13.04 C ATOM 1035 NE ARG A 65 7.675 6.080 10.277 1.00 41.24 N ATOM 1036 CZ ARG A 65 8.399 6.745 11.199 1.00 45.20 C ATOM 1037 NH1 ARG A 65 8.318 8.078 11.298 1.00 50.14 N ATOM 1038 NH2 ARG A 65 9.177 6.065 12.029 1.00 21.15 N ATOM 0 H ARG A 65 3.915 7.368 5.455 1.00 4.02 H new ATOM 0 HA ARG A 65 6.293 5.861 5.137 1.00 64.42 H new ATOM 0 HB2 ARG A 65 5.915 7.562 6.880 1.00 70.52 H new ATOM 0 HB3 ARG A 65 4.611 6.614 7.568 1.00 70.52 H new ATOM 0 HG2 ARG A 65 6.217 4.877 8.294 1.00 5.33 H new ATOM 0 HG3 ARG A 65 7.536 5.747 7.535 1.00 5.33 H new ATOM 0 HD2 ARG A 65 7.141 7.695 9.046 1.00 13.04 H new ATOM 0 HD3 ARG A 65 5.789 6.862 9.786 1.00 13.04 H new ATOM 0 HE ARG A 65 7.769 5.065 10.245 1.00 41.24 H new ATOM 0 HH11 ARG A 65 7.704 8.600 10.672 1.00 50.14 H new ATOM 0 HH12 ARG A 65 8.870 8.572 11.999 1.00 50.14 H new ATOM 0 HH21 ARG A 65 9.224 5.048 11.966 1.00 21.15 H new ATOM 0 HH22 ARG A 65 9.729 6.559 12.730 1.00 21.15 H new ATOM 1052 N ARG A 66 3.665 4.212 6.261 1.00 64.21 N ATOM 1053 CA ARG A 66 3.079 2.893 6.476 1.00 54.33 C ATOM 1054 C ARG A 66 3.006 2.111 5.155 1.00 54.13 C ATOM 1055 O ARG A 66 3.491 0.987 5.081 1.00 2.51 O ATOM 1056 CB ARG A 66 1.675 3.012 7.124 1.00 12.41 C ATOM 1057 CG ARG A 66 1.672 3.571 8.569 1.00 10.14 C ATOM 1058 CD ARG A 66 0.300 3.405 9.252 1.00 13.44 C ATOM 1059 NE ARG A 66 -0.090 1.985 9.343 1.00 35.21 N ATOM 1060 CZ ARG A 66 -1.129 1.497 10.040 1.00 3.44 C ATOM 1061 NH1 ARG A 66 -1.936 2.297 10.744 1.00 65.40 N ATOM 1062 NH2 ARG A 66 -1.367 0.193 9.997 1.00 11.04 N ATOM 0 H ARG A 66 3.015 4.982 6.418 1.00 64.21 H new ATOM 0 HA ARG A 66 3.722 2.343 7.163 1.00 54.33 H new ATOM 0 HB2 ARG A 66 1.055 3.655 6.499 1.00 12.41 H new ATOM 0 HB3 ARG A 66 1.208 2.027 7.129 1.00 12.41 H new ATOM 0 HG2 ARG A 66 2.434 3.059 9.157 1.00 10.14 H new ATOM 0 HG3 ARG A 66 1.941 4.627 8.549 1.00 10.14 H new ATOM 0 HD2 ARG A 66 0.335 3.839 10.251 1.00 13.44 H new ATOM 0 HD3 ARG A 66 -0.456 3.956 8.692 1.00 13.44 H new ATOM 0 HE ARG A 66 0.481 1.313 8.830 1.00 35.21 H new ATOM 0 HH11 ARG A 66 -1.769 3.303 10.760 1.00 65.40 H new ATOM 0 HH12 ARG A 66 -2.719 1.901 11.265 1.00 65.40 H new ATOM 0 HH21 ARG A 66 -0.766 -0.417 9.442 1.00 11.04 H new ATOM 0 HH22 ARG A 66 -2.151 -0.200 10.519 1.00 11.04 H new ATOM 1076 N ALA A 67 2.459 2.754 4.102 1.00 14.20 N ATOM 1077 CA ALA A 67 2.226 2.110 2.791 1.00 34.13 C ATOM 1078 C ALA A 67 3.538 1.754 2.087 1.00 63.51 C ATOM 1079 O ALA A 67 3.582 0.778 1.349 1.00 63.43 O ATOM 1080 CB ALA A 67 1.360 3.011 1.900 1.00 74.31 C ATOM 0 H ALA A 67 2.167 3.731 4.136 1.00 14.20 H new ATOM 0 HA ALA A 67 1.694 1.176 2.973 1.00 34.13 H new ATOM 0 HB1 ALA A 67 1.197 2.524 0.939 1.00 74.31 H new ATOM 0 HB2 ALA A 67 0.400 3.187 2.385 1.00 74.31 H new ATOM 0 HB3 ALA A 67 1.867 3.963 1.743 1.00 74.31 H new ATOM 1086 N ALA A 68 4.589 2.559 2.326 1.00 62.30 N ATOM 1087 CA ALA A 68 5.942 2.313 1.784 1.00 44.31 C ATOM 1088 C ALA A 68 6.531 1.006 2.341 1.00 45.21 C ATOM 1089 O ALA A 68 7.067 0.171 1.596 1.00 22.44 O ATOM 1090 CB ALA A 68 6.871 3.500 2.094 1.00 45.42 C ATOM 0 H ALA A 68 4.526 3.400 2.900 1.00 62.30 H new ATOM 0 HA ALA A 68 5.859 2.211 0.702 1.00 44.31 H new ATOM 0 HB1 ALA A 68 7.863 3.302 1.688 1.00 45.42 H new ATOM 0 HB2 ALA A 68 6.468 4.406 1.641 1.00 45.42 H new ATOM 0 HB3 ALA A 68 6.941 3.635 3.173 1.00 45.42 H new ATOM 1096 N LYS A 69 6.398 0.847 3.663 1.00 41.24 N ATOM 1097 CA LYS A 69 6.876 -0.337 4.394 1.00 53.02 C ATOM 1098 C LYS A 69 5.991 -1.560 4.119 1.00 21.34 C ATOM 1099 O LYS A 69 6.495 -2.679 3.980 1.00 35.30 O ATOM 1100 CB LYS A 69 6.924 -0.025 5.905 1.00 4.14 C ATOM 1101 CG LYS A 69 7.951 1.062 6.302 1.00 43.22 C ATOM 1102 CD LYS A 69 8.012 1.267 7.834 1.00 21.00 C ATOM 1103 CE LYS A 69 8.340 -0.036 8.584 1.00 34.32 C ATOM 1104 NZ LYS A 69 8.456 0.167 10.050 1.00 42.03 N ATOM 0 H LYS A 69 5.952 1.541 4.262 1.00 41.24 H new ATOM 0 HA LYS A 69 7.880 -0.579 4.045 1.00 53.02 H new ATOM 0 HB2 LYS A 69 5.933 0.293 6.229 1.00 4.14 H new ATOM 0 HB3 LYS A 69 7.157 -0.942 6.446 1.00 4.14 H new ATOM 0 HG2 LYS A 69 8.938 0.781 5.934 1.00 43.22 H new ATOM 0 HG3 LYS A 69 7.688 2.004 5.820 1.00 43.22 H new ATOM 0 HD2 LYS A 69 8.766 2.018 8.068 1.00 21.00 H new ATOM 0 HD3 LYS A 69 7.056 1.655 8.185 1.00 21.00 H new ATOM 0 HE2 LYS A 69 7.563 -0.773 8.383 1.00 34.32 H new ATOM 0 HE3 LYS A 69 9.275 -0.446 8.202 1.00 34.32 H new ATOM 0 HZ1 LYS A 69 8.678 -0.739 10.510 1.00 42.03 H new ATOM 0 HZ2 LYS A 69 9.215 0.850 10.247 1.00 42.03 H new ATOM 0 HZ3 LYS A 69 7.556 0.533 10.422 1.00 42.03 H new ATOM 1118 N SER A 70 4.673 -1.318 4.026 1.00 44.45 N ATOM 1119 CA SER A 70 3.684 -2.372 3.788 1.00 51.42 C ATOM 1120 C SER A 70 3.833 -2.936 2.365 1.00 21.21 C ATOM 1121 O SER A 70 3.620 -4.133 2.137 1.00 41.31 O ATOM 1122 CB SER A 70 2.260 -1.830 4.021 1.00 33.12 C ATOM 1123 OG SER A 70 2.097 -1.356 5.350 1.00 4.11 O ATOM 0 H SER A 70 4.268 -0.386 4.114 1.00 44.45 H new ATOM 0 HA SER A 70 3.859 -3.184 4.493 1.00 51.42 H new ATOM 0 HB2 SER A 70 2.057 -1.023 3.318 1.00 33.12 H new ATOM 0 HB3 SER A 70 1.532 -2.617 3.822 1.00 33.12 H new ATOM 0 HG SER A 70 2.495 -0.464 5.430 1.00 4.11 H new ATOM 1129 N LEU A 71 4.226 -2.058 1.422 1.00 52.31 N ATOM 1130 CA LEU A 71 4.435 -2.415 0.010 1.00 74.34 C ATOM 1131 C LEU A 71 5.575 -3.449 -0.097 1.00 54.03 C ATOM 1132 O LEU A 71 5.390 -4.543 -0.634 1.00 32.14 O ATOM 1133 CB LEU A 71 4.732 -1.122 -0.840 1.00 63.41 C ATOM 1134 CG LEU A 71 4.078 -1.054 -2.258 1.00 1.20 C ATOM 1135 CD1 LEU A 71 4.179 0.363 -2.847 1.00 45.43 C ATOM 1136 CD2 LEU A 71 4.678 -2.092 -3.219 1.00 62.25 C ATOM 0 H LEU A 71 4.408 -1.075 1.623 1.00 52.31 H new ATOM 0 HA LEU A 71 3.530 -2.868 -0.394 1.00 74.34 H new ATOM 0 HB2 LEU A 71 4.400 -0.255 -0.269 1.00 63.41 H new ATOM 0 HB3 LEU A 71 5.812 -1.032 -0.958 1.00 63.41 H new ATOM 0 HG LEU A 71 3.023 -1.298 -2.136 1.00 1.20 H new ATOM 0 HD11 LEU A 71 3.716 0.381 -3.834 1.00 45.43 H new ATOM 0 HD12 LEU A 71 3.665 1.067 -2.192 1.00 45.43 H new ATOM 0 HD13 LEU A 71 5.228 0.647 -2.933 1.00 45.43 H new ATOM 0 HD21 LEU A 71 4.194 -2.009 -4.192 1.00 62.25 H new ATOM 0 HD22 LEU A 71 5.747 -1.911 -3.329 1.00 62.25 H new ATOM 0 HD23 LEU A 71 4.519 -3.093 -2.819 1.00 62.25 H new ATOM 1148 N LYS A 72 6.731 -3.098 0.502 1.00 43.23 N ATOM 1149 CA LYS A 72 7.978 -3.883 0.387 1.00 3.44 C ATOM 1150 C LYS A 72 7.909 -5.220 1.169 1.00 3.43 C ATOM 1151 O LYS A 72 8.431 -6.240 0.698 1.00 13.14 O ATOM 1152 CB LYS A 72 9.205 -3.002 0.804 1.00 41.43 C ATOM 1153 CG LYS A 72 9.311 -2.597 2.307 1.00 20.41 C ATOM 1154 CD LYS A 72 10.094 -3.616 3.183 1.00 3.01 C ATOM 1155 CE LYS A 72 11.567 -3.775 2.750 1.00 54.31 C ATOM 1156 NZ LYS A 72 12.297 -4.769 3.590 1.00 23.43 N ATOM 0 H LYS A 72 6.827 -2.262 1.079 1.00 43.23 H new ATOM 0 HA LYS A 72 8.108 -4.167 -0.657 1.00 3.44 H new ATOM 0 HB2 LYS A 72 10.114 -3.539 0.533 1.00 41.43 H new ATOM 0 HB3 LYS A 72 9.184 -2.089 0.208 1.00 41.43 H new ATOM 0 HG2 LYS A 72 9.797 -1.624 2.377 1.00 20.41 H new ATOM 0 HG3 LYS A 72 8.306 -2.481 2.713 1.00 20.41 H new ATOM 0 HD2 LYS A 72 10.059 -3.294 4.224 1.00 3.01 H new ATOM 0 HD3 LYS A 72 9.599 -4.586 3.133 1.00 3.01 H new ATOM 0 HE2 LYS A 72 11.606 -4.086 1.706 1.00 54.31 H new ATOM 0 HE3 LYS A 72 12.069 -2.810 2.814 1.00 54.31 H new ATOM 0 HZ1 LYS A 72 13.282 -4.843 3.263 1.00 23.43 H new ATOM 0 HZ2 LYS A 72 12.284 -4.461 4.583 1.00 23.43 H new ATOM 0 HZ3 LYS A 72 11.835 -5.697 3.510 1.00 23.43 H new ATOM 1170 N GLU A 73 7.261 -5.211 2.359 1.00 13.21 N ATOM 1171 CA GLU A 73 7.125 -6.425 3.209 1.00 15.24 C ATOM 1172 C GLU A 73 6.194 -7.449 2.537 1.00 44.41 C ATOM 1173 O GLU A 73 6.327 -8.663 2.751 1.00 62.35 O ATOM 1174 CB GLU A 73 6.598 -6.074 4.635 1.00 64.02 C ATOM 1175 CG GLU A 73 5.135 -5.581 4.669 1.00 53.41 C ATOM 1176 CD GLU A 73 4.582 -5.342 6.078 1.00 20.01 C ATOM 1177 OE1 GLU A 73 4.133 -6.315 6.715 1.00 50.12 O ATOM 1178 OE2 GLU A 73 4.572 -4.181 6.549 1.00 14.44 O ATOM 0 H GLU A 73 6.824 -4.379 2.754 1.00 13.21 H new ATOM 0 HA GLU A 73 8.117 -6.862 3.319 1.00 15.24 H new ATOM 0 HB2 GLU A 73 6.687 -6.956 5.269 1.00 64.02 H new ATOM 0 HB3 GLU A 73 7.238 -5.305 5.067 1.00 64.02 H new ATOM 0 HG2 GLU A 73 5.063 -4.653 4.101 1.00 53.41 H new ATOM 0 HG3 GLU A 73 4.505 -6.313 4.164 1.00 53.41 H new ATOM 1185 N ALA A 74 5.242 -6.932 1.739 1.00 22.22 N ATOM 1186 CA ALA A 74 4.327 -7.756 0.947 1.00 1.02 C ATOM 1187 C ALA A 74 5.072 -8.427 -0.226 1.00 54.21 C ATOM 1188 O ALA A 74 4.779 -9.564 -0.579 1.00 14.41 O ATOM 1189 CB ALA A 74 3.151 -6.901 0.457 1.00 44.43 C ATOM 0 H ALA A 74 5.090 -5.929 1.629 1.00 22.22 H new ATOM 0 HA ALA A 74 3.930 -8.554 1.574 1.00 1.02 H new ATOM 0 HB1 ALA A 74 2.473 -7.518 -0.132 1.00 44.43 H new ATOM 0 HB2 ALA A 74 2.617 -6.491 1.314 1.00 44.43 H new ATOM 0 HB3 ALA A 74 3.527 -6.085 -0.160 1.00 44.43 H new ATOM 1195 N ILE A 75 6.065 -7.722 -0.799 1.00 62.13 N ATOM 1196 CA ILE A 75 6.880 -8.231 -1.930 1.00 21.25 C ATOM 1197 C ILE A 75 7.846 -9.347 -1.482 1.00 63.55 C ATOM 1198 O ILE A 75 8.026 -10.345 -2.194 1.00 55.44 O ATOM 1199 CB ILE A 75 7.648 -7.061 -2.631 1.00 51.35 C ATOM 1200 CG1 ILE A 75 6.620 -6.020 -3.179 1.00 24.44 C ATOM 1201 CG2 ILE A 75 8.571 -7.582 -3.767 1.00 32.11 C ATOM 1202 CD1 ILE A 75 7.204 -4.664 -3.479 1.00 43.42 C ATOM 0 H ILE A 75 6.329 -6.785 -0.495 1.00 62.13 H new ATOM 0 HA ILE A 75 6.198 -8.672 -2.657 1.00 21.25 H new ATOM 0 HB ILE A 75 8.291 -6.578 -1.895 1.00 51.35 H new ATOM 0 HG12 ILE A 75 6.170 -6.417 -4.089 1.00 24.44 H new ATOM 0 HG13 ILE A 75 5.817 -5.903 -2.451 1.00 24.44 H new ATOM 0 HG21 ILE A 75 9.088 -6.741 -4.230 1.00 32.11 H new ATOM 0 HG22 ILE A 75 9.304 -8.274 -3.352 1.00 32.11 H new ATOM 0 HG23 ILE A 75 7.970 -8.097 -4.517 1.00 32.11 H new ATOM 0 HD11 ILE A 75 6.421 -4.005 -3.854 1.00 43.42 H new ATOM 0 HD12 ILE A 75 7.628 -4.241 -2.568 1.00 43.42 H new ATOM 0 HD13 ILE A 75 7.986 -4.763 -4.232 1.00 43.42 H new ATOM 1214 N THR A 76 8.430 -9.186 -0.285 1.00 41.40 N ATOM 1215 CA THR A 76 9.271 -10.228 0.335 1.00 75.21 C ATOM 1216 C THR A 76 8.414 -11.425 0.805 1.00 60.10 C ATOM 1217 O THR A 76 8.950 -12.487 1.144 1.00 65.05 O ATOM 1218 CB THR A 76 10.082 -9.646 1.540 1.00 32.24 C ATOM 1219 OG1 THR A 76 9.185 -8.998 2.460 1.00 3.02 O ATOM 1220 CG2 THR A 76 11.148 -8.634 1.081 1.00 64.10 C ATOM 0 H THR A 76 8.336 -8.340 0.278 1.00 41.40 H new ATOM 0 HA THR A 76 9.972 -10.579 -0.422 1.00 75.21 H new ATOM 0 HB THR A 76 10.591 -10.479 2.026 1.00 32.24 H new ATOM 0 HG1 THR A 76 8.259 -9.180 2.197 1.00 3.02 H new ATOM 0 HG21 THR A 76 11.687 -8.255 1.949 1.00 64.10 H new ATOM 0 HG22 THR A 76 11.848 -9.124 0.405 1.00 64.10 H new ATOM 0 HG23 THR A 76 10.664 -7.805 0.564 1.00 64.10 H new ATOM 1228 N ALA A 77 7.079 -11.227 0.834 1.00 21.11 N ATOM 1229 CA ALA A 77 6.105 -12.267 1.192 1.00 12.31 C ATOM 1230 C ALA A 77 5.545 -12.987 -0.058 1.00 2.32 C ATOM 1231 O ALA A 77 4.935 -14.045 0.090 1.00 45.22 O ATOM 1232 CB ALA A 77 4.975 -11.651 2.036 1.00 71.53 C ATOM 0 H ALA A 77 6.648 -10.331 0.607 1.00 21.11 H new ATOM 0 HA ALA A 77 6.616 -13.025 1.785 1.00 12.31 H new ATOM 0 HB1 ALA A 77 4.254 -12.425 2.300 1.00 71.53 H new ATOM 0 HB2 ALA A 77 5.394 -11.220 2.945 1.00 71.53 H new ATOM 0 HB3 ALA A 77 4.475 -10.871 1.461 1.00 71.53 H new ATOM 1238 N ILE A 78 5.731 -12.403 -1.270 1.00 22.10 N ATOM 1239 CA ILE A 78 5.321 -13.054 -2.546 1.00 1.35 C ATOM 1240 C ILE A 78 6.180 -14.330 -2.760 1.00 60.10 C ATOM 1241 O ILE A 78 7.407 -14.249 -2.646 1.00 35.41 O ATOM 1242 CB ILE A 78 5.489 -12.098 -3.812 1.00 63.20 C ATOM 1243 CG1 ILE A 78 4.771 -10.734 -3.602 1.00 34.33 C ATOM 1244 CG2 ILE A 78 4.959 -12.776 -5.108 1.00 42.31 C ATOM 1245 CD1 ILE A 78 5.041 -9.696 -4.690 1.00 54.34 C ATOM 0 H ILE A 78 6.160 -11.486 -1.392 1.00 22.10 H new ATOM 0 HA ILE A 78 4.262 -13.297 -2.461 1.00 1.35 H new ATOM 0 HB ILE A 78 6.557 -11.912 -3.924 1.00 63.20 H new ATOM 0 HG12 ILE A 78 3.697 -10.909 -3.545 1.00 34.33 H new ATOM 0 HG13 ILE A 78 5.078 -10.321 -2.641 1.00 34.33 H new ATOM 0 HG21 ILE A 78 5.088 -12.098 -5.952 1.00 42.31 H new ATOM 0 HG22 ILE A 78 5.516 -13.695 -5.292 1.00 42.31 H new ATOM 0 HG23 ILE A 78 3.901 -13.011 -4.989 1.00 42.31 H new ATOM 0 HD11 ILE A 78 4.500 -8.778 -4.460 1.00 54.34 H new ATOM 0 HD12 ILE A 78 6.110 -9.485 -4.735 1.00 54.34 H new ATOM 0 HD13 ILE A 78 4.707 -10.083 -5.653 1.00 54.34 H new ATOM 1369 N GLU A 86 7.237 -6.810 -11.638 1.00 11.03 N ATOM 1370 CA GLU A 86 5.782 -6.606 -11.400 1.00 14.21 C ATOM 1371 C GLU A 86 5.530 -5.719 -10.147 1.00 23.03 C ATOM 1372 O GLU A 86 5.610 -4.489 -10.234 1.00 22.42 O ATOM 1373 CB GLU A 86 5.037 -7.987 -11.331 1.00 44.12 C ATOM 1374 CG GLU A 86 3.515 -7.948 -11.035 1.00 13.30 C ATOM 1375 CD GLU A 86 2.699 -7.202 -12.100 1.00 72.44 C ATOM 1376 OE1 GLU A 86 2.498 -7.755 -13.203 1.00 71.43 O ATOM 1377 OE2 GLU A 86 2.250 -6.065 -11.840 1.00 10.32 O ATOM 0 HA GLU A 86 5.364 -6.059 -12.245 1.00 14.21 H new ATOM 0 HB2 GLU A 86 5.185 -8.500 -12.281 1.00 44.12 H new ATOM 0 HB3 GLU A 86 5.517 -8.594 -10.563 1.00 44.12 H new ATOM 0 HG2 GLU A 86 3.143 -8.969 -10.954 1.00 13.30 H new ATOM 0 HG3 GLU A 86 3.354 -7.473 -10.067 1.00 13.30 H new ATOM 1384 N ALA A 87 5.315 -6.360 -8.979 1.00 0.25 N ATOM 1385 CA ALA A 87 4.935 -5.672 -7.741 1.00 1.14 C ATOM 1386 C ALA A 87 6.134 -4.954 -7.110 1.00 51.41 C ATOM 1387 O ALA A 87 5.967 -3.926 -6.445 1.00 13.30 O ATOM 1388 CB ALA A 87 4.318 -6.675 -6.760 1.00 44.22 C ATOM 0 H ALA A 87 5.402 -7.371 -8.874 1.00 0.25 H new ATOM 0 HA ALA A 87 4.193 -4.911 -7.982 1.00 1.14 H new ATOM 0 HB1 ALA A 87 4.037 -6.160 -5.841 1.00 44.22 H new ATOM 0 HB2 ALA A 87 3.433 -7.125 -7.209 1.00 44.22 H new ATOM 0 HB3 ALA A 87 5.045 -7.454 -6.531 1.00 44.22 H new ATOM 1394 N LYS A 88 7.339 -5.505 -7.351 1.00 13.44 N ATOM 1395 CA LYS A 88 8.590 -5.046 -6.728 1.00 25.43 C ATOM 1396 C LYS A 88 8.947 -3.617 -7.175 1.00 60.10 C ATOM 1397 O LYS A 88 9.482 -2.829 -6.385 1.00 2.14 O ATOM 1398 CB LYS A 88 9.721 -6.065 -7.051 1.00 4.40 C ATOM 1399 CG LYS A 88 11.028 -5.952 -6.209 1.00 41.13 C ATOM 1400 CD LYS A 88 12.003 -4.883 -6.735 1.00 34.03 C ATOM 1401 CE LYS A 88 13.226 -4.696 -5.832 1.00 11.14 C ATOM 1402 NZ LYS A 88 14.124 -3.623 -6.343 1.00 51.31 N ATOM 0 H LYS A 88 7.470 -6.289 -7.990 1.00 13.44 H new ATOM 0 HA LYS A 88 8.463 -5.001 -5.646 1.00 25.43 H new ATOM 0 HB2 LYS A 88 9.320 -7.070 -6.923 1.00 4.40 H new ATOM 0 HB3 LYS A 88 9.984 -5.959 -8.103 1.00 4.40 H new ATOM 0 HG2 LYS A 88 10.767 -5.719 -5.177 1.00 41.13 H new ATOM 0 HG3 LYS A 88 11.531 -6.919 -6.200 1.00 41.13 H new ATOM 0 HD2 LYS A 88 12.335 -5.162 -7.735 1.00 34.03 H new ATOM 0 HD3 LYS A 88 11.477 -3.933 -6.827 1.00 34.03 H new ATOM 0 HE2 LYS A 88 12.899 -4.448 -4.822 1.00 11.14 H new ATOM 0 HE3 LYS A 88 13.778 -5.634 -5.767 1.00 11.14 H new ATOM 0 HZ1 LYS A 88 14.942 -3.523 -5.708 1.00 51.31 H new ATOM 0 HZ2 LYS A 88 14.455 -3.872 -7.297 1.00 51.31 H new ATOM 0 HZ3 LYS A 88 13.603 -2.724 -6.381 1.00 51.31 H new ATOM 1416 N GLU A 89 8.605 -3.290 -8.430 1.00 4.05 N ATOM 1417 CA GLU A 89 8.894 -1.974 -9.048 1.00 52.30 C ATOM 1418 C GLU A 89 8.242 -0.812 -8.261 1.00 15.21 C ATOM 1419 O GLU A 89 8.789 0.298 -8.176 1.00 75.52 O ATOM 1420 CB GLU A 89 8.395 -1.984 -10.514 1.00 5.23 C ATOM 1421 CG GLU A 89 8.911 -3.170 -11.361 1.00 11.42 C ATOM 1422 CD GLU A 89 10.446 -3.254 -11.432 1.00 75.32 C ATOM 1423 OE1 GLU A 89 11.050 -2.533 -12.257 1.00 10.43 O ATOM 1424 OE2 GLU A 89 11.060 -4.038 -10.665 1.00 5.44 O ATOM 0 H GLU A 89 8.116 -3.931 -9.055 1.00 4.05 H new ATOM 0 HA GLU A 89 9.971 -1.809 -9.024 1.00 52.30 H new ATOM 0 HB2 GLU A 89 7.305 -2.002 -10.513 1.00 5.23 H new ATOM 0 HB3 GLU A 89 8.698 -1.053 -10.993 1.00 5.23 H new ATOM 0 HG2 GLU A 89 8.523 -4.099 -10.944 1.00 11.42 H new ATOM 0 HG3 GLU A 89 8.513 -3.084 -12.372 1.00 11.42 H new ATOM 1431 N MET A 90 7.091 -1.119 -7.662 1.00 71.32 N ATOM 1432 CA MET A 90 6.253 -0.172 -6.915 1.00 51.44 C ATOM 1433 C MET A 90 6.880 0.201 -5.559 1.00 24.42 C ATOM 1434 O MET A 90 6.659 1.316 -5.068 1.00 11.30 O ATOM 1435 CB MET A 90 4.859 -0.790 -6.712 1.00 45.15 C ATOM 1436 CG MET A 90 4.172 -1.263 -8.008 1.00 11.24 C ATOM 1437 SD MET A 90 2.483 -1.856 -7.739 1.00 52.30 S ATOM 1438 CE MET A 90 2.731 -3.084 -6.465 1.00 41.11 C ATOM 0 H MET A 90 6.702 -2.062 -7.682 1.00 71.32 H new ATOM 0 HA MET A 90 6.171 0.749 -7.492 1.00 51.44 H new ATOM 0 HB2 MET A 90 4.947 -1.638 -6.033 1.00 45.15 H new ATOM 0 HB3 MET A 90 4.218 -0.056 -6.224 1.00 45.15 H new ATOM 0 HG2 MET A 90 4.153 -0.441 -8.723 1.00 11.24 H new ATOM 0 HG3 MET A 90 4.764 -2.061 -8.456 1.00 11.24 H new ATOM 0 HE1 MET A 90 2.072 -3.933 -6.645 1.00 41.11 H new ATOM 0 HE2 MET A 90 3.768 -3.420 -6.480 1.00 41.11 H new ATOM 0 HE3 MET A 90 2.505 -2.649 -5.491 1.00 41.11 H new ATOM 1448 N ALA A 91 7.632 -0.755 -4.957 1.00 63.13 N ATOM 1449 CA ALA A 91 8.354 -0.534 -3.683 1.00 73.44 C ATOM 1450 C ALA A 91 9.258 0.698 -3.777 1.00 4.13 C ATOM 1451 O ALA A 91 9.200 1.564 -2.901 1.00 41.13 O ATOM 1452 CB ALA A 91 9.191 -1.755 -3.298 1.00 4.01 C ATOM 0 H ALA A 91 7.753 -1.693 -5.339 1.00 63.13 H new ATOM 0 HA ALA A 91 7.604 -0.369 -2.910 1.00 73.44 H new ATOM 0 HB1 ALA A 91 9.708 -1.560 -2.358 1.00 4.01 H new ATOM 0 HB2 ALA A 91 8.539 -2.621 -3.181 1.00 4.01 H new ATOM 0 HB3 ALA A 91 9.923 -1.956 -4.080 1.00 4.01 H new ATOM 1458 N LYS A 92 10.035 0.781 -4.891 1.00 24.12 N ATOM 1459 CA LYS A 92 10.955 1.905 -5.135 1.00 1.02 C ATOM 1460 C LYS A 92 10.203 3.239 -5.142 1.00 11.22 C ATOM 1461 O LYS A 92 10.663 4.202 -4.531 1.00 72.31 O ATOM 1462 CB LYS A 92 11.745 1.748 -6.468 1.00 13.25 C ATOM 1463 CG LYS A 92 12.714 2.933 -6.725 1.00 44.33 C ATOM 1464 CD LYS A 92 13.595 2.789 -7.981 1.00 23.42 C ATOM 1465 CE LYS A 92 14.566 3.981 -8.132 1.00 14.42 C ATOM 1466 NZ LYS A 92 15.415 4.183 -6.914 1.00 42.02 N ATOM 0 H LYS A 92 10.036 0.077 -5.630 1.00 24.12 H new ATOM 0 HA LYS A 92 11.673 1.897 -4.315 1.00 1.02 H new ATOM 0 HB2 LYS A 92 12.312 0.817 -6.444 1.00 13.25 H new ATOM 0 HB3 LYS A 92 11.042 1.671 -7.297 1.00 13.25 H new ATOM 0 HG2 LYS A 92 12.130 3.849 -6.812 1.00 44.33 H new ATOM 0 HG3 LYS A 92 13.362 3.049 -5.856 1.00 44.33 H new ATOM 0 HD2 LYS A 92 14.163 1.861 -7.923 1.00 23.42 H new ATOM 0 HD3 LYS A 92 12.961 2.720 -8.865 1.00 23.42 H new ATOM 0 HE2 LYS A 92 15.209 3.815 -8.996 1.00 14.42 H new ATOM 0 HE3 LYS A 92 13.995 4.889 -8.329 1.00 14.42 H new ATOM 0 HZ1 LYS A 92 16.379 4.445 -7.202 1.00 42.02 H new ATOM 0 HZ2 LYS A 92 15.010 4.942 -6.330 1.00 42.02 H new ATOM 0 HZ3 LYS A 92 15.446 3.302 -6.363 1.00 42.02 H new ATOM 1480 N LYS A 93 9.024 3.253 -5.797 1.00 53.25 N ATOM 1481 CA LYS A 93 8.203 4.469 -5.936 1.00 22.02 C ATOM 1482 C LYS A 93 7.815 5.033 -4.557 1.00 62.13 C ATOM 1483 O LYS A 93 7.980 6.228 -4.295 1.00 75.31 O ATOM 1484 CB LYS A 93 6.934 4.159 -6.769 1.00 30.10 C ATOM 1485 CG LYS A 93 7.181 3.905 -8.271 1.00 71.22 C ATOM 1486 CD LYS A 93 7.707 5.166 -8.979 1.00 73.44 C ATOM 1487 CE LYS A 93 8.016 4.956 -10.465 1.00 54.21 C ATOM 1488 NZ LYS A 93 8.712 6.140 -11.040 1.00 71.40 N ATOM 0 H LYS A 93 8.619 2.429 -6.240 1.00 53.25 H new ATOM 0 HA LYS A 93 8.793 5.225 -6.455 1.00 22.02 H new ATOM 0 HB2 LYS A 93 6.445 3.282 -6.344 1.00 30.10 H new ATOM 0 HB3 LYS A 93 6.239 4.993 -6.667 1.00 30.10 H new ATOM 0 HG2 LYS A 93 7.899 3.094 -8.390 1.00 71.22 H new ATOM 0 HG3 LYS A 93 6.253 3.582 -8.743 1.00 71.22 H new ATOM 0 HD2 LYS A 93 6.969 5.962 -8.880 1.00 73.44 H new ATOM 0 HD3 LYS A 93 8.611 5.505 -8.474 1.00 73.44 H new ATOM 0 HE2 LYS A 93 8.638 4.069 -10.589 1.00 54.21 H new ATOM 0 HE3 LYS A 93 7.090 4.774 -11.010 1.00 54.21 H new ATOM 0 HZ1 LYS A 93 8.909 5.971 -12.047 1.00 71.40 H new ATOM 0 HZ2 LYS A 93 8.107 6.980 -10.942 1.00 71.40 H new ATOM 0 HZ3 LYS A 93 9.607 6.297 -10.533 1.00 71.40 H new ATOM 1502 N ALA A 94 7.355 4.135 -3.676 1.00 21.33 N ATOM 1503 CA ALA A 94 6.923 4.477 -2.312 1.00 30.20 C ATOM 1504 C ALA A 94 8.092 5.034 -1.467 1.00 52.24 C ATOM 1505 O ALA A 94 7.902 5.947 -0.651 1.00 63.33 O ATOM 1506 CB ALA A 94 6.297 3.241 -1.669 1.00 5.02 C ATOM 0 H ALA A 94 7.271 3.141 -3.891 1.00 21.33 H new ATOM 0 HA ALA A 94 6.178 5.271 -2.359 1.00 30.20 H new ATOM 0 HB1 ALA A 94 5.973 3.482 -0.657 1.00 5.02 H new ATOM 0 HB2 ALA A 94 5.438 2.920 -2.258 1.00 5.02 H new ATOM 0 HB3 ALA A 94 7.033 2.438 -1.632 1.00 5.02 H new ATOM 1512 N GLU A 95 9.301 4.487 -1.707 1.00 21.53 N ATOM 1513 CA GLU A 95 10.548 4.961 -1.078 1.00 12.32 C ATOM 1514 C GLU A 95 10.897 6.379 -1.549 1.00 62.24 C ATOM 1515 O GLU A 95 11.172 7.255 -0.729 1.00 1.53 O ATOM 1516 CB GLU A 95 11.722 3.994 -1.390 1.00 33.43 C ATOM 1517 CG GLU A 95 11.497 2.535 -0.947 1.00 64.24 C ATOM 1518 CD GLU A 95 11.254 2.373 0.559 1.00 25.11 C ATOM 1519 OE1 GLU A 95 10.090 2.432 1.005 1.00 43.31 O ATOM 1520 OE2 GLU A 95 12.235 2.173 1.309 1.00 12.23 O ATOM 0 H GLU A 95 9.439 3.702 -2.344 1.00 21.53 H new ATOM 0 HA GLU A 95 10.389 4.984 0.000 1.00 12.32 H new ATOM 0 HB2 GLU A 95 11.909 4.008 -2.464 1.00 33.43 H new ATOM 0 HB3 GLU A 95 12.622 4.371 -0.905 1.00 33.43 H new ATOM 0 HG2 GLU A 95 10.643 2.129 -1.489 1.00 64.24 H new ATOM 0 HG3 GLU A 95 12.366 1.941 -1.231 1.00 64.24 H new ATOM 1527 N GLU A 96 10.837 6.589 -2.881 1.00 12.20 N ATOM 1528 CA GLU A 96 11.151 7.885 -3.520 1.00 25.34 C ATOM 1529 C GLU A 96 10.281 9.010 -2.939 1.00 20.35 C ATOM 1530 O GLU A 96 10.779 10.097 -2.609 1.00 11.10 O ATOM 1531 CB GLU A 96 10.913 7.803 -5.054 1.00 13.31 C ATOM 1532 CG GLU A 96 11.837 6.840 -5.827 1.00 44.04 C ATOM 1533 CD GLU A 96 13.331 7.198 -5.744 1.00 70.44 C ATOM 1534 OE1 GLU A 96 13.702 8.307 -6.182 1.00 64.53 O ATOM 1535 OE2 GLU A 96 14.144 6.368 -5.273 1.00 1.11 O ATOM 0 H GLU A 96 10.569 5.863 -3.545 1.00 12.20 H new ATOM 0 HA GLU A 96 12.200 8.107 -3.321 1.00 25.34 H new ATOM 0 HB2 GLU A 96 9.880 7.502 -5.227 1.00 13.31 H new ATOM 0 HB3 GLU A 96 11.028 8.802 -5.474 1.00 13.31 H new ATOM 0 HG2 GLU A 96 11.695 5.830 -5.442 1.00 44.04 H new ATOM 0 HG3 GLU A 96 11.535 6.827 -6.874 1.00 44.04 H new ATOM 1542 N TRP A 97 8.981 8.711 -2.816 1.00 61.44 N ATOM 1543 CA TRP A 97 7.969 9.652 -2.322 1.00 52.20 C ATOM 1544 C TRP A 97 8.174 9.946 -0.831 1.00 14.10 C ATOM 1545 O TRP A 97 8.005 11.087 -0.386 1.00 71.02 O ATOM 1546 CB TRP A 97 6.558 9.061 -2.559 1.00 64.45 C ATOM 1547 CG TRP A 97 6.211 8.810 -4.009 1.00 65.14 C ATOM 1548 CD1 TRP A 97 6.729 9.438 -5.112 1.00 23.23 C ATOM 1549 CD2 TRP A 97 5.251 7.867 -4.505 1.00 74.25 C ATOM 1550 NE1 TRP A 97 6.169 8.924 -6.249 1.00 72.22 N ATOM 1551 CE2 TRP A 97 5.259 7.964 -5.907 1.00 62.32 C ATOM 1552 CE3 TRP A 97 4.388 6.949 -3.897 1.00 44.51 C ATOM 1553 CZ2 TRP A 97 4.439 7.179 -6.713 1.00 64.40 C ATOM 1554 CZ3 TRP A 97 3.582 6.167 -4.699 1.00 63.32 C ATOM 1555 CH2 TRP A 97 3.615 6.291 -6.093 1.00 45.25 C ATOM 0 H TRP A 97 8.599 7.797 -3.060 1.00 61.44 H new ATOM 0 HA TRP A 97 8.069 10.591 -2.867 1.00 52.20 H new ATOM 0 HB2 TRP A 97 6.477 8.121 -2.013 1.00 64.45 H new ATOM 0 HB3 TRP A 97 5.819 9.741 -2.136 1.00 64.45 H new ATOM 0 HD1 TRP A 97 7.470 10.223 -5.087 1.00 23.23 H new ATOM 0 HE1 TRP A 97 6.395 9.212 -7.201 1.00 72.22 H new ATOM 0 HE3 TRP A 97 4.353 6.854 -2.822 1.00 44.51 H new ATOM 0 HZ2 TRP A 97 4.456 7.271 -7.789 1.00 64.40 H new ATOM 0 HZ3 TRP A 97 2.916 5.449 -4.244 1.00 63.32 H new ATOM 0 HH2 TRP A 97 2.970 5.666 -6.692 1.00 45.25 H new ATOM 1566 N LEU A 98 8.543 8.900 -0.075 1.00 25.21 N ATOM 1567 CA LEU A 98 8.761 9.001 1.374 1.00 12.23 C ATOM 1568 C LEU A 98 10.005 9.851 1.694 1.00 54.20 C ATOM 1569 O LEU A 98 10.018 10.577 2.691 1.00 20.32 O ATOM 1570 CB LEU A 98 8.878 7.594 2.014 1.00 71.34 C ATOM 1571 CG LEU A 98 8.908 7.565 3.572 1.00 41.21 C ATOM 1572 CD1 LEU A 98 7.650 8.242 4.176 1.00 52.51 C ATOM 1573 CD2 LEU A 98 9.101 6.123 4.100 1.00 2.44 C ATOM 0 H LEU A 98 8.698 7.964 -0.451 1.00 25.21 H new ATOM 0 HA LEU A 98 7.894 9.502 1.806 1.00 12.23 H new ATOM 0 HB2 LEU A 98 8.039 6.988 1.673 1.00 71.34 H new ATOM 0 HB3 LEU A 98 9.786 7.119 1.642 1.00 71.34 H new ATOM 0 HG LEU A 98 9.769 8.147 3.900 1.00 41.21 H new ATOM 0 HD11 LEU A 98 7.703 8.204 5.264 1.00 52.51 H new ATOM 0 HD12 LEU A 98 7.605 9.281 3.851 1.00 52.51 H new ATOM 0 HD13 LEU A 98 6.757 7.717 3.838 1.00 52.51 H new ATOM 0 HD21 LEU A 98 9.118 6.134 5.190 1.00 2.44 H new ATOM 0 HD22 LEU A 98 8.278 5.496 3.756 1.00 2.44 H new ATOM 0 HD23 LEU A 98 10.043 5.722 3.726 1.00 2.44 H new ATOM 1585 N GLN A 99 11.034 9.771 0.824 1.00 30.20 N ATOM 1586 CA GLN A 99 12.275 10.559 0.979 1.00 31.20 C ATOM 1587 C GLN A 99 12.015 12.038 0.647 1.00 61.43 C ATOM 1588 O GLN A 99 12.633 12.930 1.244 1.00 72.32 O ATOM 1589 CB GLN A 99 13.424 9.990 0.089 1.00 10.51 C ATOM 1590 CG GLN A 99 13.818 8.519 0.380 1.00 21.23 C ATOM 1591 CD GLN A 99 14.161 8.230 1.851 1.00 35.43 C ATOM 1592 OE1 GLN A 99 14.720 9.061 2.569 1.00 4.02 O ATOM 1593 NE2 GLN A 99 13.812 7.050 2.316 1.00 40.41 N ATOM 0 H GLN A 99 11.029 9.165 0.003 1.00 30.20 H new ATOM 0 HA GLN A 99 12.593 10.484 2.019 1.00 31.20 H new ATOM 0 HB2 GLN A 99 13.125 10.069 -0.956 1.00 10.51 H new ATOM 0 HB3 GLN A 99 14.306 10.618 0.217 1.00 10.51 H new ATOM 0 HG2 GLN A 99 12.997 7.869 0.077 1.00 21.23 H new ATOM 0 HG3 GLN A 99 14.676 8.257 -0.238 1.00 21.23 H new ATOM 0 HE21 GLN A 99 13.350 6.377 1.704 1.00 40.41 H new ATOM 0 HE22 GLN A 99 14.003 6.808 3.288 1.00 40.41 H new ATOM 1602 N ALA A 100 11.078 12.277 -0.294 1.00 40.10 N ATOM 1603 CA ALA A 100 10.665 13.638 -0.707 1.00 23.33 C ATOM 1604 C ALA A 100 10.015 14.405 0.468 1.00 65.41 C ATOM 1605 O ALA A 100 10.122 15.636 0.562 1.00 73.32 O ATOM 1606 CB ALA A 100 9.704 13.554 -1.909 1.00 32.31 C ATOM 0 H ALA A 100 10.586 11.534 -0.790 1.00 40.10 H new ATOM 0 HA ALA A 100 11.554 14.193 -1.008 1.00 23.33 H new ATOM 0 HB1 ALA A 100 9.405 14.559 -2.207 1.00 32.31 H new ATOM 0 HB2 ALA A 100 10.206 13.063 -2.743 1.00 32.31 H new ATOM 0 HB3 ALA A 100 8.820 12.980 -1.629 1.00 32.31 H new ATOM 1612 N GLU A 101 9.355 13.647 1.359 1.00 65.31 N ATOM 1613 CA GLU A 101 8.722 14.180 2.576 1.00 63.04 C ATOM 1614 C GLU A 101 9.733 14.269 3.737 1.00 62.12 C ATOM 1615 O GLU A 101 9.892 15.328 4.361 1.00 11.22 O ATOM 1616 CB GLU A 101 7.518 13.278 2.973 1.00 4.53 C ATOM 1617 CG GLU A 101 6.394 13.191 1.916 1.00 4.25 C ATOM 1618 CD GLU A 101 5.775 14.554 1.569 1.00 20.10 C ATOM 1619 OE1 GLU A 101 4.969 15.079 2.374 1.00 72.11 O ATOM 1620 OE2 GLU A 101 6.109 15.124 0.508 1.00 63.01 O ATOM 0 H GLU A 101 9.245 12.638 1.254 1.00 65.31 H new ATOM 0 HA GLU A 101 8.366 15.189 2.369 1.00 63.04 H new ATOM 0 HB2 GLU A 101 7.887 12.272 3.174 1.00 4.53 H new ATOM 0 HB3 GLU A 101 7.093 13.653 3.904 1.00 4.53 H new ATOM 0 HG2 GLU A 101 6.794 12.740 1.008 1.00 4.25 H new ATOM 0 HG3 GLU A 101 5.611 12.528 2.283 1.00 4.25 H new