USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.06 USER MOD Single : A 5 TYR OH : rot 130:sc= -3.86! USER MOD Single : A 14 SER OG : rot -7:sc= 0.505 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -74:sc= -3.24! USER MOD Single : A 25 LYS NZ :NH3+ -120:sc= -0.0575 (180deg=-1.6) USER MOD Single : A 26 TYR OH : rot 30:sc= -0.425 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.963 USER MOD Single : A 31 HIS : no HD1:sc= -3.73! C(o=-3.7!,f=-3.5!) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.159) USER MOD Single : A 35 THR OG1 : rot -155:sc= -7.6! USER MOD Single : A 36 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.116) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.135 X(o=0.14,f=0) USER MOD Single : A 45 THR OG1 : rot -68:sc= -3.79! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -114:sc= -0.412 (180deg=-0.719) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.185 K(o=-0.19,f=-2!) USER MOD Single : A 56 THR OG1 : rot 61:sc= -4.36! USER MOD Single : A 58 HIS : no HE2:sc= -6.37! C(o=-6.4!,f=-15!) USER MOD Single : A 62 LYS NZ :NH3+ 142:sc= -0.398 (180deg=-2.57!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 147:sc= 0.301 (180deg=-0.218!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -2.33! C(o=-2.3!,f=-15!) USER MOD Single : A 87 GLN : amide:sc= -10! C(o=-10!,f=-14!) USER MOD Single : A 88 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0082) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.037 -18.240 8.386 1.00 0.00 N ATOM 2 CA MET A 1 -6.775 -17.803 7.166 1.00 0.00 C ATOM 3 C MET A 1 -5.981 -16.734 6.419 1.00 0.00 C ATOM 4 O MET A 1 -5.868 -15.613 6.873 1.00 0.00 O ATOM 5 CB MET A 1 -8.085 -17.199 7.681 1.00 0.00 C ATOM 6 CG MET A 1 -9.197 -17.436 6.658 1.00 0.00 C ATOM 7 SD MET A 1 -10.367 -18.654 7.309 1.00 0.00 S ATOM 8 CE MET A 1 -11.822 -18.080 6.399 1.00 0.00 C ATOM 0 H1 MET A 1 -6.589 -18.967 8.884 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.114 -18.633 8.111 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.892 -17.424 9.015 1.00 0.00 H new ATOM 0 HA MET A 1 -6.940 -18.632 6.478 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.354 -17.650 8.636 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.960 -16.130 7.856 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.712 -16.500 6.442 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.772 -17.790 5.719 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.680 -18.703 6.654 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.033 -17.045 6.666 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.631 -18.146 5.328 1.00 0.00 H new ATOM 20 N LYS A 2 -5.454 -17.044 5.265 1.00 0.00 N ATOM 21 CA LYS A 2 -4.712 -15.984 4.523 1.00 0.00 C ATOM 22 C LYS A 2 -5.718 -15.183 3.718 1.00 0.00 C ATOM 23 O LYS A 2 -5.724 -15.191 2.503 1.00 0.00 O ATOM 24 CB LYS A 2 -3.675 -16.638 3.588 1.00 0.00 C ATOM 25 CG LYS A 2 -3.647 -18.163 3.748 1.00 0.00 C ATOM 26 CD LYS A 2 -2.507 -18.744 2.909 1.00 0.00 C ATOM 27 CE LYS A 2 -2.839 -20.187 2.525 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.335 -21.012 3.659 1.00 0.00 N ATOM 0 H LYS A 2 -5.502 -17.958 4.814 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.184 -15.328 5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.908 -16.385 2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.686 -16.232 3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.512 -18.427 4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.599 -18.590 3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.359 -18.143 2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.574 -18.712 3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.912 -20.322 2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.357 -20.467 1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.526 -22.017 3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.310 -20.869 3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.816 -20.728 4.536 1.00 0.00 H new ATOM 42 N THR A 3 -6.575 -14.492 4.403 1.00 0.00 N ATOM 43 CA THR A 3 -7.606 -13.679 3.717 1.00 0.00 C ATOM 44 C THR A 3 -7.261 -12.202 3.892 1.00 0.00 C ATOM 45 O THR A 3 -6.329 -11.702 3.299 1.00 0.00 O ATOM 46 CB THR A 3 -8.911 -14.038 4.427 1.00 0.00 C ATOM 47 OG1 THR A 3 -8.697 -14.042 5.831 1.00 0.00 O ATOM 48 CG2 THR A 3 -9.370 -15.425 3.976 1.00 0.00 C ATOM 0 H THR A 3 -6.606 -14.455 5.422 1.00 0.00 H new ATOM 0 HA THR A 3 -7.676 -13.868 2.646 1.00 0.00 H new ATOM 0 HB THR A 3 -9.677 -13.304 4.178 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.533 -14.270 6.289 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.301 -15.682 4.482 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.531 -15.422 2.898 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.606 -16.161 4.226 1.00 0.00 H new ATOM 56 N ALA A 4 -7.973 -11.506 4.729 1.00 0.00 N ATOM 57 CA ALA A 4 -7.646 -10.077 4.958 1.00 0.00 C ATOM 58 C ALA A 4 -6.522 -9.977 5.997 1.00 0.00 C ATOM 59 O ALA A 4 -6.003 -8.918 6.278 1.00 0.00 O ATOM 60 CB ALA A 4 -8.938 -9.482 5.480 1.00 0.00 C ATOM 0 H ALA A 4 -8.765 -11.864 5.263 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.296 -9.557 4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.795 -8.420 5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.724 -9.608 4.735 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.226 -9.989 6.401 1.00 0.00 H new ATOM 66 N TYR A 5 -6.146 -11.100 6.548 1.00 0.00 N ATOM 67 CA TYR A 5 -5.046 -11.164 7.553 1.00 0.00 C ATOM 68 C TYR A 5 -3.766 -10.482 7.030 1.00 0.00 C ATOM 69 O TYR A 5 -3.801 -9.462 6.375 1.00 0.00 O ATOM 70 CB TYR A 5 -4.801 -12.674 7.695 1.00 0.00 C ATOM 71 CG TYR A 5 -4.030 -13.169 6.479 1.00 0.00 C ATOM 72 CD1 TYR A 5 -4.413 -12.762 5.191 1.00 0.00 C ATOM 73 CD2 TYR A 5 -2.919 -14.007 6.640 1.00 0.00 C ATOM 74 CE1 TYR A 5 -3.699 -13.186 4.076 1.00 0.00 C ATOM 75 CE2 TYR A 5 -2.194 -14.433 5.515 1.00 0.00 C ATOM 76 CZ TYR A 5 -2.587 -14.022 4.233 1.00 0.00 C ATOM 77 OH TYR A 5 -1.876 -14.443 3.129 1.00 0.00 O ATOM 0 H TYR A 5 -6.570 -12.003 6.336 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.301 -10.660 8.485 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.239 -12.880 8.606 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.750 -13.203 7.779 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.268 -12.115 5.066 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.620 -14.325 7.628 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.002 -12.870 3.089 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.335 -15.076 5.637 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.921 -14.279 3.273 1.00 0.00 H new ATOM 87 N ASP A 6 -2.635 -11.078 7.321 1.00 0.00 N ATOM 88 CA ASP A 6 -1.319 -10.545 6.864 1.00 0.00 C ATOM 89 C ASP A 6 -1.432 -9.788 5.539 1.00 0.00 C ATOM 90 O ASP A 6 -1.069 -8.633 5.441 1.00 0.00 O ATOM 91 CB ASP A 6 -0.478 -11.803 6.657 1.00 0.00 C ATOM 92 CG ASP A 6 0.128 -12.243 7.991 1.00 0.00 C ATOM 93 OD1 ASP A 6 0.623 -11.387 8.705 1.00 0.00 O ATOM 94 OD2 ASP A 6 0.086 -13.428 8.275 1.00 0.00 O ATOM 0 H ASP A 6 -2.571 -11.935 7.871 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.901 -9.838 7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.096 -12.602 6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.314 -11.608 5.934 1.00 0.00 H new ATOM 99 N VAL A 7 -1.904 -10.443 4.515 1.00 0.00 N ATOM 100 CA VAL A 7 -2.010 -9.778 3.185 1.00 0.00 C ATOM 101 C VAL A 7 -2.775 -8.450 3.293 1.00 0.00 C ATOM 102 O VAL A 7 -2.276 -7.483 3.832 1.00 0.00 O ATOM 103 CB VAL A 7 -2.754 -10.783 2.297 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.912 -10.222 0.892 1.00 0.00 C ATOM 105 CG2 VAL A 7 -1.956 -12.074 2.194 1.00 0.00 C ATOM 0 H VAL A 7 -2.222 -11.412 4.541 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.033 -9.524 2.774 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.731 -10.972 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.441 -10.943 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.480 -9.292 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.928 -10.028 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.491 -12.783 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.979 -11.864 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.825 -12.501 3.188 1.00 0.00 H new ATOM 115 N ILE A 8 -3.969 -8.380 2.774 1.00 0.00 N ATOM 116 CA ILE A 8 -4.728 -7.102 2.835 1.00 0.00 C ATOM 117 C ILE A 8 -5.544 -7.002 4.126 1.00 0.00 C ATOM 118 O ILE A 8 -6.486 -7.736 4.337 1.00 0.00 O ATOM 119 CB ILE A 8 -5.646 -7.153 1.619 1.00 0.00 C ATOM 120 CG1 ILE A 8 -4.836 -7.527 0.382 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.271 -5.782 1.396 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.757 -7.547 -0.835 1.00 0.00 C ATOM 0 H ILE A 8 -4.450 -9.151 2.311 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.071 -6.232 2.830 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.425 -7.895 1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.029 -6.810 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.372 -8.504 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.927 -5.818 0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.849 -5.498 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.484 -5.047 1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.182 -7.814 -1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.548 -8.281 -0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.199 -6.560 -0.973 1.00 0.00 H new ATOM 134 N LEU A 9 -5.192 -6.085 4.988 1.00 0.00 N ATOM 135 CA LEU A 9 -5.949 -5.926 6.263 1.00 0.00 C ATOM 136 C LEU A 9 -7.066 -4.893 6.092 1.00 0.00 C ATOM 137 O LEU A 9 -8.187 -5.226 5.762 1.00 0.00 O ATOM 138 CB LEU A 9 -4.915 -5.436 7.278 1.00 0.00 C ATOM 139 CG LEU A 9 -4.023 -6.605 7.703 1.00 0.00 C ATOM 140 CD1 LEU A 9 -2.641 -6.450 7.066 1.00 0.00 C ATOM 141 CD2 LEU A 9 -3.884 -6.610 9.227 1.00 0.00 C ATOM 0 H LEU A 9 -4.412 -5.439 4.864 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.424 -6.855 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.309 -4.642 6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.416 -5.012 8.148 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.471 -7.543 7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.006 -7.282 7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.739 -6.444 5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.192 -5.513 7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.249 -7.442 9.532 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.435 -5.672 9.555 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.869 -6.720 9.682 1.00 0.00 H new ATOM 153 N ALA A 10 -6.770 -3.641 6.317 1.00 0.00 N ATOM 154 CA ALA A 10 -7.818 -2.588 6.170 1.00 0.00 C ATOM 155 C ALA A 10 -7.557 -1.744 4.918 1.00 0.00 C ATOM 156 O ALA A 10 -6.426 -1.576 4.506 1.00 0.00 O ATOM 157 CB ALA A 10 -7.694 -1.728 7.427 1.00 0.00 C ATOM 0 H ALA A 10 -5.849 -3.302 6.596 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.815 -3.015 6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.434 -0.928 7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.865 -2.346 8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.694 -1.296 7.475 1.00 0.00 H new ATOM 163 N PRO A 11 -8.622 -1.236 4.359 1.00 0.00 N ATOM 164 CA PRO A 11 -8.517 -0.393 3.142 1.00 0.00 C ATOM 165 C PRO A 11 -7.971 0.992 3.504 1.00 0.00 C ATOM 166 O PRO A 11 -7.658 1.266 4.645 1.00 0.00 O ATOM 167 CB PRO A 11 -9.959 -0.296 2.651 1.00 0.00 C ATOM 168 CG PRO A 11 -10.801 -0.522 3.866 1.00 0.00 C ATOM 169 CD PRO A 11 -10.010 -1.400 4.802 1.00 0.00 C ATOM 0 HA PRO A 11 -7.842 -0.802 2.390 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.160 0.680 2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.165 -1.043 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.048 0.426 4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.744 -0.998 3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.136 -1.092 5.840 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.329 -2.440 4.737 1.00 0.00 H new ATOM 177 N VAL A 12 -7.853 1.867 2.543 1.00 0.00 N ATOM 178 CA VAL A 12 -7.326 3.231 2.841 1.00 0.00 C ATOM 179 C VAL A 12 -8.407 4.286 2.590 1.00 0.00 C ATOM 180 O VAL A 12 -9.067 4.280 1.570 1.00 0.00 O ATOM 181 CB VAL A 12 -6.144 3.435 1.884 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.340 2.139 1.766 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.664 3.839 0.501 1.00 0.00 C ATOM 0 H VAL A 12 -8.098 1.698 1.567 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.021 3.328 3.883 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.501 4.223 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.503 2.291 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.962 1.855 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.982 1.347 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.822 3.983 -0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.312 3.054 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.228 4.768 0.582 1.00 0.00 H new ATOM 193 N LEU A 13 -8.585 5.197 3.503 1.00 0.00 N ATOM 194 CA LEU A 13 -9.612 6.254 3.301 1.00 0.00 C ATOM 195 C LEU A 13 -8.943 7.570 2.896 1.00 0.00 C ATOM 196 O LEU A 13 -8.234 8.180 3.670 1.00 0.00 O ATOM 197 CB LEU A 13 -10.309 6.398 4.652 1.00 0.00 C ATOM 198 CG LEU A 13 -11.178 5.166 4.917 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.024 4.858 3.680 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.280 3.967 5.229 1.00 0.00 C ATOM 0 H LEU A 13 -8.065 5.256 4.379 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.315 5.999 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.569 6.510 5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.924 7.298 4.661 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.834 5.362 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.642 3.981 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.665 5.711 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.369 4.663 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.898 3.089 5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.624 3.773 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.678 4.183 6.111 1.00 0.00 H new ATOM 212 N SER A 14 -9.163 8.011 1.688 1.00 0.00 N ATOM 213 CA SER A 14 -8.538 9.288 1.238 1.00 0.00 C ATOM 214 C SER A 14 -9.238 9.802 -0.024 1.00 0.00 C ATOM 215 O SER A 14 -9.402 9.083 -0.990 1.00 0.00 O ATOM 216 CB SER A 14 -7.084 8.932 0.937 1.00 0.00 C ATOM 217 OG SER A 14 -6.418 8.612 2.150 1.00 0.00 O ATOM 0 H SER A 14 -9.747 7.544 0.994 1.00 0.00 H new ATOM 0 HA SER A 14 -8.618 10.075 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.039 8.087 0.250 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.587 9.768 0.446 1.00 0.00 H new ATOM 0 HG SER A 14 -7.008 8.806 2.908 1.00 0.00 H new ATOM 223 N GLU A 15 -9.652 11.041 -0.023 1.00 0.00 N ATOM 224 CA GLU A 15 -10.339 11.597 -1.224 1.00 0.00 C ATOM 225 C GLU A 15 -9.611 11.156 -2.496 1.00 0.00 C ATOM 226 O GLU A 15 -10.182 10.522 -3.361 1.00 0.00 O ATOM 227 CB GLU A 15 -10.259 13.115 -1.059 1.00 0.00 C ATOM 228 CG GLU A 15 -11.616 13.650 -0.596 1.00 0.00 C ATOM 229 CD GLU A 15 -12.117 14.699 -1.591 1.00 0.00 C ATOM 230 OE1 GLU A 15 -11.525 15.764 -1.648 1.00 0.00 O ATOM 231 OE2 GLU A 15 -13.086 14.419 -2.279 1.00 0.00 O ATOM 0 H GLU A 15 -9.544 11.691 0.756 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.369 11.251 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.488 13.372 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.976 13.580 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.334 12.833 -0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.526 14.089 0.397 1.00 0.00 H new ATOM 238 N LYS A 16 -8.355 11.486 -2.615 1.00 0.00 N ATOM 239 CA LYS A 16 -7.590 11.087 -3.828 1.00 0.00 C ATOM 240 C LYS A 16 -7.680 9.572 -4.036 1.00 0.00 C ATOM 241 O LYS A 16 -7.412 9.067 -5.108 1.00 0.00 O ATOM 242 CB LYS A 16 -6.148 11.505 -3.542 1.00 0.00 C ATOM 243 CG LYS A 16 -5.614 12.333 -4.712 1.00 0.00 C ATOM 244 CD LYS A 16 -6.150 13.763 -4.610 1.00 0.00 C ATOM 245 CE LYS A 16 -6.676 14.210 -5.977 1.00 0.00 C ATOM 246 NZ LYS A 16 -8.088 14.615 -5.729 1.00 0.00 N ATOM 0 H LYS A 16 -7.825 12.016 -1.923 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.977 11.555 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.103 12.086 -2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.525 10.623 -3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.524 12.340 -4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.919 11.885 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.947 13.812 -3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.361 14.436 -4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.091 15.039 -6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.619 13.402 -6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.519 14.935 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.622 13.803 -5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.110 15.390 -5.036 1.00 0.00 H new ATOM 260 N ALA A 17 -8.056 8.845 -3.019 1.00 0.00 N ATOM 261 CA ALA A 17 -8.164 7.366 -3.160 1.00 0.00 C ATOM 262 C ALA A 17 -9.616 6.967 -3.430 1.00 0.00 C ATOM 263 O ALA A 17 -9.900 6.201 -4.328 1.00 0.00 O ATOM 264 CB ALA A 17 -7.691 6.802 -1.819 1.00 0.00 C ATOM 0 H ALA A 17 -8.293 9.212 -2.097 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.570 6.986 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.741 5.713 -1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.663 7.113 -1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.331 7.177 -1.020 1.00 0.00 H new ATOM 270 N TYR A 18 -10.540 7.482 -2.663 1.00 0.00 N ATOM 271 CA TYR A 18 -11.970 7.126 -2.890 1.00 0.00 C ATOM 272 C TYR A 18 -12.339 7.374 -4.354 1.00 0.00 C ATOM 273 O TYR A 18 -13.134 6.660 -4.932 1.00 0.00 O ATOM 274 CB TYR A 18 -12.768 8.036 -1.958 1.00 0.00 C ATOM 275 CG TYR A 18 -13.211 7.242 -0.752 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.719 5.947 -0.917 1.00 0.00 C ATOM 277 CD2 TYR A 18 -13.110 7.795 0.530 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.128 5.206 0.199 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.518 7.055 1.647 1.00 0.00 C ATOM 280 CZ TYR A 18 -14.027 5.761 1.482 1.00 0.00 C ATOM 281 OH TYR A 18 -14.428 5.031 2.581 1.00 0.00 O ATOM 0 H TYR A 18 -10.368 8.130 -1.894 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.176 6.075 -2.685 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.158 8.884 -1.647 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.635 8.442 -2.480 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.795 5.519 -1.906 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.717 8.793 0.658 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.521 4.208 0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.440 7.483 2.636 1.00 0.00 H new ATOM 0 HH TYR A 18 -15.407 4.996 2.611 1.00 0.00 H new ATOM 291 N ALA A 19 -11.752 8.365 -4.967 1.00 0.00 N ATOM 292 CA ALA A 19 -12.054 8.632 -6.400 1.00 0.00 C ATOM 293 C ALA A 19 -11.595 7.427 -7.220 1.00 0.00 C ATOM 294 O ALA A 19 -12.078 7.167 -8.304 1.00 0.00 O ATOM 295 CB ALA A 19 -11.244 9.878 -6.757 1.00 0.00 C ATOM 0 H ALA A 19 -11.078 8.999 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.114 8.789 -6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.416 10.137 -7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.554 10.708 -6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.183 9.679 -6.602 1.00 0.00 H new ATOM 301 N GLY A 20 -10.694 6.665 -6.667 1.00 0.00 N ATOM 302 CA GLY A 20 -10.210 5.435 -7.345 1.00 0.00 C ATOM 303 C GLY A 20 -10.945 4.284 -6.681 1.00 0.00 C ATOM 304 O GLY A 20 -11.378 3.342 -7.313 1.00 0.00 O ATOM 0 H GLY A 20 -10.267 6.847 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.420 5.469 -8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.131 5.326 -7.235 1.00 0.00 H new ATOM 308 N PHE A 21 -11.132 4.402 -5.395 1.00 0.00 N ATOM 309 CA PHE A 21 -11.890 3.372 -4.647 1.00 0.00 C ATOM 310 C PHE A 21 -13.327 3.386 -5.161 1.00 0.00 C ATOM 311 O PHE A 21 -14.082 2.450 -4.981 1.00 0.00 O ATOM 312 CB PHE A 21 -11.838 3.839 -3.191 1.00 0.00 C ATOM 313 CG PHE A 21 -11.582 2.664 -2.283 1.00 0.00 C ATOM 314 CD1 PHE A 21 -10.453 1.861 -2.478 1.00 0.00 C ATOM 315 CD2 PHE A 21 -12.472 2.380 -1.241 1.00 0.00 C ATOM 316 CE1 PHE A 21 -10.214 0.772 -1.631 1.00 0.00 C ATOM 317 CE2 PHE A 21 -12.234 1.293 -0.395 1.00 0.00 C ATOM 318 CZ PHE A 21 -11.105 0.488 -0.588 1.00 0.00 C ATOM 0 H PHE A 21 -10.787 5.177 -4.829 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.494 2.362 -4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.052 4.583 -3.067 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -12.778 4.320 -2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.766 2.081 -3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.343 3.001 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.343 0.151 -1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.922 1.074 0.408 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.921 -0.351 0.067 1.00 0.00 H new ATOM 328 N ALA A 22 -13.705 4.466 -5.797 1.00 0.00 N ATOM 329 CA ALA A 22 -15.077 4.588 -6.330 1.00 0.00 C ATOM 330 C ALA A 22 -15.131 4.131 -7.791 1.00 0.00 C ATOM 331 O ALA A 22 -16.146 4.242 -8.448 1.00 0.00 O ATOM 332 CB ALA A 22 -15.410 6.075 -6.221 1.00 0.00 C ATOM 0 H ALA A 22 -13.106 5.274 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.786 3.967 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -16.417 6.251 -6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.354 6.385 -5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.696 6.652 -6.809 1.00 0.00 H new ATOM 338 N GLU A 23 -14.041 3.632 -8.309 1.00 0.00 N ATOM 339 CA GLU A 23 -14.028 3.183 -9.733 1.00 0.00 C ATOM 340 C GLU A 23 -13.888 1.660 -9.821 1.00 0.00 C ATOM 341 O GLU A 23 -13.561 1.118 -10.858 1.00 0.00 O ATOM 342 CB GLU A 23 -12.809 3.868 -10.350 1.00 0.00 C ATOM 343 CG GLU A 23 -13.265 5.054 -11.201 1.00 0.00 C ATOM 344 CD GLU A 23 -12.185 5.386 -12.234 1.00 0.00 C ATOM 345 OE1 GLU A 23 -11.434 4.491 -12.584 1.00 0.00 O ATOM 346 OE2 GLU A 23 -12.129 6.529 -12.656 1.00 0.00 O ATOM 0 H GLU A 23 -13.160 3.516 -7.809 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.952 3.441 -10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.134 4.209 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.252 3.159 -10.963 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.203 4.816 -11.703 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.454 5.919 -10.566 1.00 0.00 H new ATOM 353 N GLY A 24 -14.132 0.964 -8.746 1.00 0.00 N ATOM 354 CA GLY A 24 -14.013 -0.513 -8.775 1.00 0.00 C ATOM 355 C GLY A 24 -12.630 -0.925 -8.267 1.00 0.00 C ATOM 356 O GLY A 24 -12.439 -2.018 -7.774 1.00 0.00 O ATOM 0 H GLY A 24 -14.409 1.359 -7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.788 -0.963 -8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.163 -0.880 -9.790 1.00 0.00 H new ATOM 360 N LYS A 25 -11.667 -0.052 -8.376 1.00 0.00 N ATOM 361 CA LYS A 25 -10.296 -0.386 -7.892 1.00 0.00 C ATOM 362 C LYS A 25 -10.229 -0.162 -6.381 1.00 0.00 C ATOM 363 O LYS A 25 -10.799 0.776 -5.866 1.00 0.00 O ATOM 364 CB LYS A 25 -9.371 0.589 -8.623 1.00 0.00 C ATOM 365 CG LYS A 25 -9.583 0.463 -10.133 1.00 0.00 C ATOM 366 CD LYS A 25 -8.423 1.132 -10.871 1.00 0.00 C ATOM 367 CE LYS A 25 -8.417 0.681 -12.333 1.00 0.00 C ATOM 368 NZ LYS A 25 -7.891 -0.712 -12.303 1.00 0.00 N ATOM 0 H LYS A 25 -11.769 0.879 -8.779 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.018 -1.422 -8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.575 1.610 -8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.332 0.377 -8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.649 -0.588 -10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.526 0.929 -10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.520 2.216 -10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.477 0.871 -10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.419 0.716 -12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.787 1.328 -12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.022 -0.767 -12.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.680 -0.982 -11.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.603 -1.361 -12.695 1.00 0.00 H new ATOM 382 N TYR A 26 -9.562 -1.019 -5.656 1.00 0.00 N ATOM 383 CA TYR A 26 -9.509 -0.832 -4.178 1.00 0.00 C ATOM 384 C TYR A 26 -8.074 -0.827 -3.646 1.00 0.00 C ATOM 385 O TYR A 26 -7.413 -1.842 -3.600 1.00 0.00 O ATOM 386 CB TYR A 26 -10.291 -2.013 -3.606 1.00 0.00 C ATOM 387 CG TYR A 26 -11.743 -1.887 -4.000 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.446 -0.711 -3.711 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.386 -2.944 -4.655 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.791 -0.592 -4.078 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.733 -2.823 -5.022 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.435 -1.648 -4.733 1.00 0.00 C ATOM 393 OH TYR A 26 -15.761 -1.530 -5.094 1.00 0.00 O ATOM 0 H TYR A 26 -9.058 -1.829 -6.017 1.00 0.00 H new ATOM 0 HA TYR A 26 -9.929 0.131 -3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.881 -2.951 -3.980 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.197 -2.035 -2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.950 0.104 -3.205 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.845 -3.852 -4.877 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.333 0.315 -3.856 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.230 -3.638 -5.528 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.968 -0.589 -5.275 1.00 0.00 H new ATOM 403 N THR A 27 -7.618 0.315 -3.208 1.00 0.00 N ATOM 404 CA THR A 27 -6.255 0.426 -2.629 1.00 0.00 C ATOM 405 C THR A 27 -6.308 -0.057 -1.182 1.00 0.00 C ATOM 406 O THR A 27 -7.024 0.489 -0.365 1.00 0.00 O ATOM 407 CB THR A 27 -5.921 1.919 -2.688 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.129 2.397 -4.012 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.463 2.137 -2.281 1.00 0.00 C ATOM 0 H THR A 27 -8.144 1.189 -3.229 1.00 0.00 H new ATOM 0 HA THR A 27 -5.509 -0.167 -3.157 1.00 0.00 H new ATOM 0 HB THR A 27 -6.568 2.464 -2.001 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.917 3.353 -4.052 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.228 3.201 -2.324 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.310 1.773 -1.265 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.810 1.593 -2.963 1.00 0.00 H new ATOM 417 N PHE A 28 -5.591 -1.091 -0.858 1.00 0.00 N ATOM 418 CA PHE A 28 -5.650 -1.614 0.534 1.00 0.00 C ATOM 419 C PHE A 28 -4.298 -1.509 1.232 1.00 0.00 C ATOM 420 O PHE A 28 -3.270 -1.344 0.610 1.00 0.00 O ATOM 421 CB PHE A 28 -6.053 -3.080 0.385 1.00 0.00 C ATOM 422 CG PHE A 28 -7.417 -3.280 0.992 1.00 0.00 C ATOM 423 CD1 PHE A 28 -7.539 -3.473 2.372 1.00 0.00 C ATOM 424 CD2 PHE A 28 -8.555 -3.269 0.180 1.00 0.00 C ATOM 425 CE1 PHE A 28 -8.803 -3.655 2.944 1.00 0.00 C ATOM 426 CE2 PHE A 28 -9.822 -3.450 0.751 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.945 -3.643 2.133 1.00 0.00 C ATOM 0 H PHE A 28 -4.970 -1.596 -1.490 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.351 -1.043 1.143 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.065 -3.362 -0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.324 -3.723 0.879 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.658 -3.482 2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.458 -3.121 -0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.898 -3.805 4.009 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.703 -3.441 0.126 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.921 -3.783 2.574 1.00 0.00 H new ATOM 437 N TRP A 29 -4.300 -1.650 2.528 1.00 0.00 N ATOM 438 CA TRP A 29 -3.033 -1.612 3.296 1.00 0.00 C ATOM 439 C TRP A 29 -2.642 -3.056 3.524 1.00 0.00 C ATOM 440 O TRP A 29 -3.423 -3.839 4.028 1.00 0.00 O ATOM 441 CB TRP A 29 -3.369 -0.920 4.617 1.00 0.00 C ATOM 442 CG TRP A 29 -3.223 0.560 4.460 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.162 1.471 4.803 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.092 1.314 3.932 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.681 2.736 4.518 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.410 2.692 3.981 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.836 0.940 3.420 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.513 3.664 3.538 1.00 0.00 C ATOM 449 CZ3 TRP A 29 0.069 1.917 2.974 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.269 3.276 3.032 1.00 0.00 C ATOM 0 H TRP A 29 -5.139 -1.792 3.091 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.218 -1.085 2.800 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.387 -1.165 4.919 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.708 -1.279 5.406 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.129 1.247 5.229 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.202 3.597 4.684 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.566 -0.105 3.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.778 4.710 3.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.031 1.619 2.584 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.431 4.022 2.686 1.00 0.00 H new ATOM 461 N VAL A 30 -1.488 -3.449 3.109 1.00 0.00 N ATOM 462 CA VAL A 30 -1.142 -4.870 3.261 1.00 0.00 C ATOM 463 C VAL A 30 0.341 -5.061 3.549 1.00 0.00 C ATOM 464 O VAL A 30 1.165 -4.219 3.256 1.00 0.00 O ATOM 465 CB VAL A 30 -1.547 -5.454 1.911 1.00 0.00 C ATOM 466 CG1 VAL A 30 -1.048 -4.558 0.774 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.968 -6.837 1.736 1.00 0.00 C ATOM 0 H VAL A 30 -0.777 -2.858 2.677 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.640 -5.352 4.102 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.635 -5.512 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.344 -4.987 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.483 -3.564 0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.039 -4.485 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.268 -7.237 0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.120 -6.785 1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.337 -7.489 2.528 1.00 0.00 H new ATOM 477 N HIS A 31 0.671 -6.171 4.134 1.00 0.00 N ATOM 478 CA HIS A 31 2.094 -6.454 4.466 1.00 0.00 C ATOM 479 C HIS A 31 2.941 -6.442 3.194 1.00 0.00 C ATOM 480 O HIS A 31 2.465 -6.774 2.127 1.00 0.00 O ATOM 481 CB HIS A 31 2.081 -7.849 5.090 1.00 0.00 C ATOM 482 CG HIS A 31 3.012 -7.880 6.272 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.734 -9.012 6.615 1.00 0.00 N ATOM 484 CD2 HIS A 31 3.345 -6.926 7.202 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.459 -8.715 7.708 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.260 -7.455 8.108 1.00 0.00 N ATOM 0 H HIS A 31 0.013 -6.903 4.400 1.00 0.00 H new ATOM 0 HA HIS A 31 2.521 -5.710 5.139 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.070 -8.109 5.403 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.387 -8.591 4.353 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.956 -5.919 7.227 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.121 -9.410 8.203 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.687 -6.983 8.905 1.00 0.00 H new ATOM 494 N PRO A 32 4.176 -6.062 3.355 1.00 0.00 N ATOM 495 CA PRO A 32 5.110 -6.006 2.205 1.00 0.00 C ATOM 496 C PRO A 32 5.500 -7.421 1.786 1.00 0.00 C ATOM 497 O PRO A 32 6.608 -7.866 2.011 1.00 0.00 O ATOM 498 CB PRO A 32 6.311 -5.255 2.759 1.00 0.00 C ATOM 499 CG PRO A 32 6.266 -5.482 4.236 1.00 0.00 C ATOM 500 CD PRO A 32 4.815 -5.652 4.609 1.00 0.00 C ATOM 0 HA PRO A 32 4.687 -5.526 1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.241 -5.629 2.331 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.255 -4.193 2.522 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.841 -6.367 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.706 -4.640 4.770 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.688 -6.405 5.387 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.389 -4.724 4.990 1.00 0.00 H new ATOM 508 N LYS A 33 4.589 -8.137 1.196 1.00 0.00 N ATOM 509 CA LYS A 33 4.894 -9.532 0.782 1.00 0.00 C ATOM 510 C LYS A 33 3.666 -10.161 0.127 1.00 0.00 C ATOM 511 O LYS A 33 3.776 -10.965 -0.776 1.00 0.00 O ATOM 512 CB LYS A 33 5.241 -10.263 2.082 1.00 0.00 C ATOM 513 CG LYS A 33 4.274 -9.833 3.193 1.00 0.00 C ATOM 514 CD LYS A 33 3.525 -11.059 3.720 1.00 0.00 C ATOM 515 CE LYS A 33 2.017 -10.836 3.579 1.00 0.00 C ATOM 516 NZ LYS A 33 1.445 -12.195 3.375 1.00 0.00 N ATOM 0 H LYS A 33 3.645 -7.817 0.982 1.00 0.00 H new ATOM 0 HA LYS A 33 5.706 -9.583 0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.180 -11.341 1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.267 -10.039 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.824 -9.354 4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.566 -9.098 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.825 -11.948 3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.781 -11.234 4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.603 -10.363 4.469 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.792 -10.182 2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.410 -12.154 3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.690 -12.535 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.835 -12.846 4.086 1.00 0.00 H new ATOM 530 N ALA A 34 2.494 -9.800 0.581 1.00 0.00 N ATOM 531 CA ALA A 34 1.253 -10.375 -0.010 1.00 0.00 C ATOM 532 C ALA A 34 1.382 -10.430 -1.536 1.00 0.00 C ATOM 533 O ALA A 34 1.096 -9.473 -2.227 1.00 0.00 O ATOM 534 CB ALA A 34 0.141 -9.410 0.395 1.00 0.00 C ATOM 0 H ALA A 34 2.344 -9.131 1.336 1.00 0.00 H new ATOM 0 HA ALA A 34 1.058 -11.390 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.810 -9.763 -0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.083 -9.358 1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.356 -8.419 -0.005 1.00 0.00 H new ATOM 540 N THR A 35 1.820 -11.539 -2.064 1.00 0.00 N ATOM 541 CA THR A 35 1.979 -11.651 -3.544 1.00 0.00 C ATOM 542 C THR A 35 0.784 -11.015 -4.260 1.00 0.00 C ATOM 543 O THR A 35 -0.345 -11.130 -3.825 1.00 0.00 O ATOM 544 CB THR A 35 2.035 -13.153 -3.823 1.00 0.00 C ATOM 545 OG1 THR A 35 1.295 -13.846 -2.829 1.00 0.00 O ATOM 546 CG2 THR A 35 3.491 -13.621 -3.799 1.00 0.00 C ATOM 0 H THR A 35 2.075 -12.374 -1.536 1.00 0.00 H new ATOM 0 HA THR A 35 2.870 -11.135 -3.902 1.00 0.00 H new ATOM 0 HB THR A 35 1.605 -13.359 -4.803 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.632 -14.763 -2.750 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.532 -14.692 -3.998 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.057 -13.088 -4.563 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.923 -13.417 -2.819 1.00 0.00 H new ATOM 554 N LYS A 36 1.026 -10.346 -5.358 1.00 0.00 N ATOM 555 CA LYS A 36 -0.098 -9.707 -6.102 1.00 0.00 C ATOM 556 C LYS A 36 -1.290 -10.664 -6.161 1.00 0.00 C ATOM 557 O LYS A 36 -2.426 -10.269 -5.993 1.00 0.00 O ATOM 558 CB LYS A 36 0.452 -9.440 -7.504 1.00 0.00 C ATOM 559 CG LYS A 36 1.115 -8.060 -7.539 1.00 0.00 C ATOM 560 CD LYS A 36 0.405 -7.176 -8.567 1.00 0.00 C ATOM 561 CE LYS A 36 0.979 -5.759 -8.510 1.00 0.00 C ATOM 562 NZ LYS A 36 2.265 -5.834 -9.259 1.00 0.00 N ATOM 0 H LYS A 36 1.950 -10.215 -5.769 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.446 -8.790 -5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.175 -10.209 -7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.353 -9.487 -8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.069 -7.598 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.170 -8.158 -7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.532 -7.590 -9.567 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.666 -7.154 -8.365 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.299 -5.039 -8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.140 -5.439 -7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.024 -5.410 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.494 -6.829 -9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.175 -5.315 -10.156 1.00 0.00 H new ATOM 576 N THR A 37 -1.037 -11.925 -6.386 1.00 0.00 N ATOM 577 CA THR A 37 -2.153 -12.909 -6.441 1.00 0.00 C ATOM 578 C THR A 37 -2.725 -13.120 -5.038 1.00 0.00 C ATOM 579 O THR A 37 -3.914 -13.292 -4.861 1.00 0.00 O ATOM 580 CB THR A 37 -1.528 -14.191 -6.963 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.898 -13.939 -8.212 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.610 -15.258 -7.137 1.00 0.00 C ATOM 0 H THR A 37 -0.106 -12.315 -6.534 1.00 0.00 H new ATOM 0 HA THR A 37 -2.973 -12.575 -7.077 1.00 0.00 H new ATOM 0 HB THR A 37 -0.785 -14.547 -6.250 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.494 -14.766 -8.547 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.158 -16.177 -7.512 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.086 -15.453 -6.176 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.358 -14.905 -7.847 1.00 0.00 H new ATOM 590 N GLU A 38 -1.886 -13.097 -4.037 1.00 0.00 N ATOM 591 CA GLU A 38 -2.384 -13.285 -2.646 1.00 0.00 C ATOM 592 C GLU A 38 -3.418 -12.205 -2.322 1.00 0.00 C ATOM 593 O GLU A 38 -4.450 -12.474 -1.741 1.00 0.00 O ATOM 594 CB GLU A 38 -1.150 -13.140 -1.754 1.00 0.00 C ATOM 595 CG GLU A 38 -0.680 -14.525 -1.304 1.00 0.00 C ATOM 596 CD GLU A 38 0.560 -14.381 -0.420 1.00 0.00 C ATOM 597 OE1 GLU A 38 1.153 -13.315 -0.435 1.00 0.00 O ATOM 598 OE2 GLU A 38 0.895 -15.340 0.257 1.00 0.00 O ATOM 0 H GLU A 38 -0.879 -12.956 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.869 -14.251 -2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.353 -12.633 -2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.386 -12.524 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.475 -15.030 -0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.451 -15.143 -2.172 1.00 0.00 H new ATOM 605 N ILE A 39 -3.153 -10.988 -2.711 1.00 0.00 N ATOM 606 CA ILE A 39 -4.129 -9.895 -2.444 1.00 0.00 C ATOM 607 C ILE A 39 -5.470 -10.270 -3.080 1.00 0.00 C ATOM 608 O ILE A 39 -6.527 -9.928 -2.587 1.00 0.00 O ATOM 609 CB ILE A 39 -3.508 -8.652 -3.101 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.718 -7.871 -2.050 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.594 -7.744 -3.694 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.357 -7.473 -2.622 1.00 0.00 C ATOM 0 H ILE A 39 -2.305 -10.704 -3.201 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.319 -9.719 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.850 -8.977 -3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.272 -6.981 -1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.584 -8.479 -1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.128 -6.872 -4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.156 -8.294 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.270 -7.420 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.796 -6.917 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.802 -8.370 -2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.501 -6.849 -3.504 1.00 0.00 H new ATOM 624 N LYS A 40 -5.425 -10.985 -4.167 1.00 0.00 N ATOM 625 CA LYS A 40 -6.684 -11.405 -4.839 1.00 0.00 C ATOM 626 C LYS A 40 -7.485 -12.313 -3.907 1.00 0.00 C ATOM 627 O LYS A 40 -8.678 -12.157 -3.738 1.00 0.00 O ATOM 628 CB LYS A 40 -6.220 -12.184 -6.069 1.00 0.00 C ATOM 629 CG LYS A 40 -7.407 -12.429 -6.999 1.00 0.00 C ATOM 630 CD LYS A 40 -6.939 -12.346 -8.452 1.00 0.00 C ATOM 631 CE LYS A 40 -8.026 -12.905 -9.372 1.00 0.00 C ATOM 632 NZ LYS A 40 -7.493 -14.213 -9.847 1.00 0.00 N ATOM 0 H LYS A 40 -4.567 -11.298 -4.621 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.325 -10.563 -5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.444 -11.627 -6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.781 -13.134 -5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.842 -13.409 -6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.187 -11.690 -6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.721 -11.311 -8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.015 -12.909 -8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.968 -13.033 -8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.222 -12.232 -10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.184 -14.658 -10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.600 -14.059 -10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.323 -14.835 -9.031 1.00 0.00 H new ATOM 646 N ASN A 41 -6.829 -13.265 -3.306 1.00 0.00 N ATOM 647 CA ASN A 41 -7.530 -14.201 -2.382 1.00 0.00 C ATOM 648 C ASN A 41 -7.889 -13.504 -1.066 1.00 0.00 C ATOM 649 O ASN A 41 -8.899 -13.798 -0.460 1.00 0.00 O ATOM 650 CB ASN A 41 -6.529 -15.331 -2.133 1.00 0.00 C ATOM 651 CG ASN A 41 -6.434 -16.214 -3.378 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.160 -17.178 -3.510 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.563 -15.921 -4.304 1.00 0.00 N ATOM 0 H ASN A 41 -5.830 -13.437 -3.416 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.467 -14.564 -2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.550 -14.917 -1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.843 -15.926 -1.275 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.492 -16.502 -5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.953 -15.111 -4.193 1.00 0.00 H new ATOM 660 N ALA A 42 -7.070 -12.595 -0.606 1.00 0.00 N ATOM 661 CA ALA A 42 -7.387 -11.913 0.684 1.00 0.00 C ATOM 662 C ALA A 42 -8.755 -11.226 0.604 1.00 0.00 C ATOM 663 O ALA A 42 -9.597 -11.410 1.461 1.00 0.00 O ATOM 664 CB ALA A 42 -6.268 -10.886 0.892 1.00 0.00 C ATOM 0 H ALA A 42 -6.206 -12.298 -1.060 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.440 -12.617 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.438 -10.347 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.307 -11.399 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.262 -10.181 0.061 1.00 0.00 H new ATOM 670 N VAL A 43 -8.996 -10.446 -0.416 1.00 0.00 N ATOM 671 CA VAL A 43 -10.327 -9.770 -0.529 1.00 0.00 C ATOM 672 C VAL A 43 -11.397 -10.759 -1.004 1.00 0.00 C ATOM 673 O VAL A 43 -12.535 -10.702 -0.581 1.00 0.00 O ATOM 674 CB VAL A 43 -10.161 -8.631 -1.545 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.485 -7.441 -0.867 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.313 -9.091 -2.734 1.00 0.00 C ATOM 0 H VAL A 43 -8.338 -10.247 -1.170 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.650 -9.387 0.439 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.146 -8.339 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.366 -6.631 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.100 -7.099 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.506 -7.742 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.206 -8.271 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.328 -9.397 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.801 -9.934 -3.224 1.00 0.00 H new ATOM 686 N GLU A 44 -11.051 -11.663 -1.881 1.00 0.00 N ATOM 687 CA GLU A 44 -12.063 -12.643 -2.375 1.00 0.00 C ATOM 688 C GLU A 44 -12.672 -13.413 -1.201 1.00 0.00 C ATOM 689 O GLU A 44 -13.825 -13.794 -1.229 1.00 0.00 O ATOM 690 CB GLU A 44 -11.289 -13.588 -3.294 1.00 0.00 C ATOM 691 CG GLU A 44 -11.669 -13.308 -4.751 1.00 0.00 C ATOM 692 CD GLU A 44 -12.352 -14.541 -5.347 1.00 0.00 C ATOM 693 OE1 GLU A 44 -11.643 -15.443 -5.763 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.570 -14.562 -5.376 1.00 0.00 O ATOM 0 H GLU A 44 -10.116 -11.766 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.887 -12.156 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.217 -13.451 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.514 -14.624 -3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.336 -12.448 -4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.779 -13.058 -5.328 1.00 0.00 H new ATOM 701 N THR A 45 -11.906 -13.642 -0.171 1.00 0.00 N ATOM 702 CA THR A 45 -12.443 -14.387 1.004 1.00 0.00 C ATOM 703 C THR A 45 -13.313 -13.466 1.862 1.00 0.00 C ATOM 704 O THR A 45 -14.394 -13.828 2.282 1.00 0.00 O ATOM 705 CB THR A 45 -11.209 -14.827 1.792 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.583 -13.684 2.353 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.225 -15.541 0.864 1.00 0.00 C ATOM 0 H THR A 45 -10.933 -13.347 -0.091 1.00 0.00 H new ATOM 0 HA THR A 45 -13.064 -15.231 0.705 1.00 0.00 H new ATOM 0 HB THR A 45 -11.512 -15.511 2.585 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.195 -13.139 1.637 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.348 -15.851 1.433 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.705 -16.418 0.430 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.919 -14.863 0.067 1.00 0.00 H new ATOM 715 N ALA A 46 -12.842 -12.279 2.133 1.00 0.00 N ATOM 716 CA ALA A 46 -13.633 -11.334 2.974 1.00 0.00 C ATOM 717 C ALA A 46 -14.673 -10.593 2.126 1.00 0.00 C ATOM 718 O ALA A 46 -15.851 -10.611 2.421 1.00 0.00 O ATOM 719 CB ALA A 46 -12.605 -10.353 3.537 1.00 0.00 C ATOM 0 H ALA A 46 -11.943 -11.922 1.808 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.184 -11.851 3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.108 -9.622 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.868 -10.897 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.105 -9.839 2.716 1.00 0.00 H new ATOM 725 N PHE A 47 -14.248 -9.933 1.083 1.00 0.00 N ATOM 726 CA PHE A 47 -15.221 -9.187 0.232 1.00 0.00 C ATOM 727 C PHE A 47 -16.080 -10.163 -0.576 1.00 0.00 C ATOM 728 O PHE A 47 -17.158 -9.832 -1.028 1.00 0.00 O ATOM 729 CB PHE A 47 -14.362 -8.332 -0.696 1.00 0.00 C ATOM 730 CG PHE A 47 -13.888 -7.112 0.054 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.817 -6.265 0.669 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.521 -6.830 0.135 1.00 0.00 C ATOM 733 CE1 PHE A 47 -14.377 -5.135 1.367 1.00 0.00 C ATOM 734 CE2 PHE A 47 -12.080 -5.700 0.834 1.00 0.00 C ATOM 735 CZ PHE A 47 -13.009 -4.852 1.449 1.00 0.00 C ATOM 0 H PHE A 47 -13.274 -9.877 0.784 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.906 -8.582 0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.509 -8.908 -1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.937 -8.034 -1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.873 -6.483 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.805 -7.484 -0.342 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -15.093 -4.481 1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.024 -5.483 0.899 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.670 -3.979 1.987 1.00 0.00 H new ATOM 745 N LYS A 48 -15.608 -11.365 -0.760 1.00 0.00 N ATOM 746 CA LYS A 48 -16.392 -12.365 -1.539 1.00 0.00 C ATOM 747 C LYS A 48 -16.817 -11.764 -2.874 1.00 0.00 C ATOM 748 O LYS A 48 -17.946 -11.897 -3.302 1.00 0.00 O ATOM 749 CB LYS A 48 -17.611 -12.684 -0.673 1.00 0.00 C ATOM 750 CG LYS A 48 -17.186 -13.565 0.504 1.00 0.00 C ATOM 751 CD LYS A 48 -17.821 -14.949 0.362 1.00 0.00 C ATOM 752 CE LYS A 48 -18.808 -15.180 1.510 1.00 0.00 C ATOM 753 NZ LYS A 48 -18.682 -16.628 1.838 1.00 0.00 N ATOM 0 H LYS A 48 -14.712 -11.699 -0.404 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.816 -13.263 -1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.061 -11.761 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.369 -13.194 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.100 -13.653 0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.493 -13.107 1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.336 -15.028 -0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.048 -15.718 0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.565 -14.557 2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.826 -14.929 1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.328 -16.865 2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.925 -17.196 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.704 -16.835 2.124 1.00 0.00 H new ATOM 767 N VAL A 49 -15.914 -11.098 -3.529 1.00 0.00 N ATOM 768 CA VAL A 49 -16.241 -10.476 -4.836 1.00 0.00 C ATOM 769 C VAL A 49 -15.419 -11.134 -5.947 1.00 0.00 C ATOM 770 O VAL A 49 -14.874 -12.207 -5.781 1.00 0.00 O ATOM 771 CB VAL A 49 -15.878 -8.992 -4.649 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.536 -8.648 -5.310 1.00 0.00 C ATOM 773 CG2 VAL A 49 -16.980 -8.136 -5.255 1.00 0.00 C ATOM 0 H VAL A 49 -14.955 -10.957 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.285 -10.597 -5.126 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.781 -8.793 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.315 -7.592 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.746 -9.253 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.593 -8.855 -6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.733 -7.082 -5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.073 -8.362 -6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.924 -8.350 -4.754 1.00 0.00 H new ATOM 783 N LYS A 50 -15.318 -10.490 -7.073 1.00 0.00 N ATOM 784 CA LYS A 50 -14.519 -11.070 -8.188 1.00 0.00 C ATOM 785 C LYS A 50 -13.342 -10.154 -8.515 1.00 0.00 C ATOM 786 O LYS A 50 -13.509 -9.085 -9.065 1.00 0.00 O ATOM 787 CB LYS A 50 -15.475 -11.156 -9.377 1.00 0.00 C ATOM 788 CG LYS A 50 -14.897 -12.123 -10.413 1.00 0.00 C ATOM 789 CD LYS A 50 -13.687 -11.479 -11.093 1.00 0.00 C ATOM 790 CE LYS A 50 -13.456 -12.137 -12.454 1.00 0.00 C ATOM 791 NZ LYS A 50 -12.393 -11.320 -13.101 1.00 0.00 N ATOM 0 H LYS A 50 -15.753 -9.589 -7.271 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.109 -12.047 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.456 -11.500 -9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.615 -10.170 -9.820 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.603 -13.056 -9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -15.655 -12.373 -11.156 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.854 -10.409 -11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.802 -11.593 -10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.143 -13.175 -12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.368 -12.141 -13.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.785 -10.837 -13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.039 -10.613 -12.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.611 -11.939 -13.396 1.00 0.00 H new ATOM 805 N VAL A 51 -12.152 -10.562 -8.179 1.00 0.00 N ATOM 806 CA VAL A 51 -10.967 -9.711 -8.471 1.00 0.00 C ATOM 807 C VAL A 51 -10.587 -9.842 -9.947 1.00 0.00 C ATOM 808 O VAL A 51 -10.281 -10.914 -10.429 1.00 0.00 O ATOM 809 CB VAL A 51 -9.859 -10.257 -7.574 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.508 -9.714 -8.043 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.113 -9.818 -6.129 1.00 0.00 C ATOM 0 H VAL A 51 -11.948 -11.447 -7.715 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.152 -8.654 -8.282 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.850 -11.346 -7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.717 -10.104 -7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.328 -10.025 -9.072 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.515 -8.625 -7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.323 -10.207 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.121 -8.729 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.076 -10.205 -5.795 1.00 0.00 H new ATOM 821 N VAL A 52 -10.614 -8.756 -10.667 1.00 0.00 N ATOM 822 CA VAL A 52 -10.265 -8.809 -12.115 1.00 0.00 C ATOM 823 C VAL A 52 -8.894 -8.171 -12.351 1.00 0.00 C ATOM 824 O VAL A 52 -8.309 -8.303 -13.407 1.00 0.00 O ATOM 825 CB VAL A 52 -11.361 -7.997 -12.802 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.485 -6.636 -12.125 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.005 -7.788 -14.268 1.00 0.00 C ATOM 0 H VAL A 52 -10.863 -7.832 -10.315 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.207 -9.829 -12.496 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.305 -8.537 -12.727 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.267 -6.056 -12.615 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.740 -6.774 -11.074 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.537 -6.104 -12.201 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.790 -7.208 -14.754 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.059 -7.250 -14.340 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -10.911 -8.756 -14.761 1.00 0.00 H new ATOM 837 N LYS A 53 -8.381 -7.479 -11.373 1.00 0.00 N ATOM 838 CA LYS A 53 -7.049 -6.831 -11.537 1.00 0.00 C ATOM 839 C LYS A 53 -6.594 -6.229 -10.208 1.00 0.00 C ATOM 840 O LYS A 53 -7.276 -5.413 -9.621 1.00 0.00 O ATOM 841 CB LYS A 53 -7.269 -5.732 -12.575 1.00 0.00 C ATOM 842 CG LYS A 53 -6.692 -6.179 -13.918 1.00 0.00 C ATOM 843 CD LYS A 53 -6.034 -4.986 -14.614 1.00 0.00 C ATOM 844 CE LYS A 53 -5.176 -5.483 -15.779 1.00 0.00 C ATOM 845 NZ LYS A 53 -4.428 -4.281 -16.244 1.00 0.00 N ATOM 0 H LYS A 53 -8.826 -7.334 -10.467 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.279 -7.537 -11.849 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.333 -5.520 -12.676 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.790 -4.808 -12.250 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.961 -6.973 -13.765 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.482 -6.590 -14.547 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.797 -4.298 -14.978 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.418 -4.433 -13.905 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.496 -6.273 -15.460 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.794 -5.897 -16.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.816 -4.541 -17.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.101 -3.549 -16.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.844 -3.913 -15.466 1.00 0.00 H new ATOM 859 N VAL A 54 -5.445 -6.619 -9.729 1.00 0.00 N ATOM 860 CA VAL A 54 -4.955 -6.059 -8.440 1.00 0.00 C ATOM 861 C VAL A 54 -3.576 -5.421 -8.634 1.00 0.00 C ATOM 862 O VAL A 54 -2.679 -6.016 -9.197 1.00 0.00 O ATOM 863 CB VAL A 54 -4.900 -7.262 -7.475 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.575 -7.290 -6.701 1.00 0.00 C ATOM 865 CG2 VAL A 54 -6.050 -7.149 -6.474 1.00 0.00 C ATOM 0 H VAL A 54 -4.827 -7.298 -10.173 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.600 -5.272 -8.049 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.983 -8.178 -8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.564 -8.148 -6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.745 -7.369 -7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.473 -6.373 -6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.019 -7.995 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.952 -6.221 -5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.000 -7.150 -7.009 1.00 0.00 H new ATOM 875 N ASN A 55 -3.398 -4.221 -8.159 1.00 0.00 N ATOM 876 CA ASN A 55 -2.074 -3.560 -8.302 1.00 0.00 C ATOM 877 C ASN A 55 -1.633 -2.990 -6.955 1.00 0.00 C ATOM 878 O ASN A 55 -2.255 -2.102 -6.411 1.00 0.00 O ATOM 879 CB ASN A 55 -2.292 -2.438 -9.319 1.00 0.00 C ATOM 880 CG ASN A 55 -1.692 -2.846 -10.666 1.00 0.00 C ATOM 881 OD1 ASN A 55 -1.331 -3.990 -10.862 1.00 0.00 O ATOM 882 ND2 ASN A 55 -1.569 -1.953 -11.609 1.00 0.00 N ATOM 0 H ASN A 55 -4.111 -3.671 -7.679 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.297 -4.251 -8.629 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.357 -2.235 -9.430 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.827 -1.517 -8.966 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.170 -2.215 -12.510 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.872 -0.993 -11.445 1.00 0.00 H new ATOM 889 N THR A 56 -0.562 -3.496 -6.413 1.00 0.00 N ATOM 890 CA THR A 56 -0.086 -2.982 -5.097 1.00 0.00 C ATOM 891 C THR A 56 1.274 -2.299 -5.265 1.00 0.00 C ATOM 892 O THR A 56 2.082 -2.695 -6.083 1.00 0.00 O ATOM 893 CB THR A 56 0.028 -4.201 -4.154 1.00 0.00 C ATOM 894 OG1 THR A 56 1.301 -4.188 -3.525 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.141 -5.520 -4.917 1.00 0.00 C ATOM 0 H THR A 56 0.003 -4.240 -6.821 1.00 0.00 H new ATOM 0 HA THR A 56 -0.776 -2.244 -4.687 1.00 0.00 H new ATOM 0 HB THR A 56 -0.767 -4.131 -3.412 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.394 -3.371 -2.992 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.055 -6.356 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.122 -5.542 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.633 -5.601 -5.680 1.00 0.00 H new ATOM 903 N LEU A 57 1.529 -1.270 -4.504 1.00 0.00 N ATOM 904 CA LEU A 57 2.832 -0.555 -4.628 1.00 0.00 C ATOM 905 C LEU A 57 3.506 -0.423 -3.261 1.00 0.00 C ATOM 906 O LEU A 57 2.854 -0.396 -2.236 1.00 0.00 O ATOM 907 CB LEU A 57 2.469 0.828 -5.174 1.00 0.00 C ATOM 908 CG LEU A 57 1.828 1.667 -4.064 1.00 0.00 C ATOM 909 CD1 LEU A 57 2.888 2.566 -3.427 1.00 0.00 C ATOM 910 CD2 LEU A 57 0.717 2.533 -4.661 1.00 0.00 C ATOM 0 H LEU A 57 0.892 -0.893 -3.802 1.00 0.00 H new ATOM 0 HA LEU A 57 3.530 -1.087 -5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.362 1.327 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.780 0.730 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 57 1.409 1.007 -3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.432 3.163 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.681 1.950 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.308 3.227 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.259 3.131 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.138 3.193 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.039 1.893 -5.116 1.00 0.00 H new ATOM 922 N HIS A 58 4.807 -0.326 -3.236 1.00 0.00 N ATOM 923 CA HIS A 58 5.516 -0.178 -1.935 1.00 0.00 C ATOM 924 C HIS A 58 5.152 1.171 -1.312 1.00 0.00 C ATOM 925 O HIS A 58 5.410 2.214 -1.877 1.00 0.00 O ATOM 926 CB HIS A 58 7.004 -0.230 -2.279 1.00 0.00 C ATOM 927 CG HIS A 58 7.759 -0.859 -1.141 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.938 -1.561 -1.334 1.00 0.00 N ATOM 929 CD2 HIS A 58 7.516 -0.900 0.211 1.00 0.00 C ATOM 930 CE1 HIS A 58 9.357 -1.992 -0.129 1.00 0.00 C ATOM 931 NE2 HIS A 58 8.525 -1.616 0.847 1.00 0.00 N ATOM 0 H HIS A 58 5.409 -0.343 -4.060 1.00 0.00 H new ATOM 0 HA HIS A 58 5.247 -0.954 -1.218 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.157 -0.804 -3.193 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.380 0.776 -2.468 1.00 0.00 H new ATOM 0 HD1 HIS A 58 9.404 -1.722 -2.227 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.670 -0.445 0.705 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.255 -2.571 0.029 1.00 0.00 H new ATOM 939 N VAL A 59 4.544 1.159 -0.159 1.00 0.00 N ATOM 940 CA VAL A 59 4.155 2.450 0.488 1.00 0.00 C ATOM 941 C VAL A 59 5.119 2.774 1.632 1.00 0.00 C ATOM 942 O VAL A 59 5.266 2.015 2.568 1.00 0.00 O ATOM 943 CB VAL A 59 2.722 2.267 1.030 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.830 3.372 0.472 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.131 0.910 0.620 1.00 0.00 C ATOM 0 H VAL A 59 4.299 0.318 0.364 1.00 0.00 H new ATOM 0 HA VAL A 59 4.197 3.274 -0.224 1.00 0.00 H new ATOM 0 HB VAL A 59 2.767 2.312 2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.816 3.248 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.217 4.343 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.819 3.316 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.121 0.817 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.099 0.841 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.753 0.108 1.016 1.00 0.00 H new ATOM 955 N ARG A 60 5.776 3.900 1.563 1.00 0.00 N ATOM 956 CA ARG A 60 6.730 4.271 2.649 1.00 0.00 C ATOM 957 C ARG A 60 6.459 5.702 3.121 1.00 0.00 C ATOM 958 O ARG A 60 6.501 6.639 2.349 1.00 0.00 O ATOM 959 CB ARG A 60 8.119 4.173 2.016 1.00 0.00 C ATOM 960 CG ARG A 60 8.208 2.908 1.156 1.00 0.00 C ATOM 961 CD ARG A 60 7.749 1.698 1.973 1.00 0.00 C ATOM 962 NE ARG A 60 8.909 0.765 1.963 1.00 0.00 N ATOM 963 CZ ARG A 60 9.272 0.163 3.061 1.00 0.00 C ATOM 964 NH1 ARG A 60 10.020 0.785 3.930 1.00 0.00 N ATOM 965 NH2 ARG A 60 8.887 -1.063 3.292 1.00 0.00 N ATOM 0 H ARG A 60 5.694 4.577 0.805 1.00 0.00 H new ATOM 0 HA ARG A 60 6.634 3.621 3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.313 5.054 1.405 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.883 4.150 2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.587 3.016 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.232 2.761 0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.483 1.986 2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.866 1.235 1.532 1.00 0.00 H new ATOM 0 HE ARG A 60 9.420 0.597 1.097 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.321 1.743 3.751 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.304 0.314 4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.302 -1.550 2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.171 -1.534 4.151 1.00 0.00 H new ATOM 979 N GLY A 61 6.180 5.878 4.384 1.00 0.00 N ATOM 980 CA GLY A 61 5.907 7.247 4.903 1.00 0.00 C ATOM 981 C GLY A 61 4.922 7.960 3.974 1.00 0.00 C ATOM 982 O GLY A 61 4.398 7.377 3.045 1.00 0.00 O ATOM 0 H GLY A 61 6.129 5.132 5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.496 7.190 5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.836 7.814 4.969 1.00 0.00 H new ATOM 986 N LYS A 62 4.666 9.215 4.218 1.00 0.00 N ATOM 987 CA LYS A 62 3.713 9.963 3.348 1.00 0.00 C ATOM 988 C LYS A 62 4.403 11.191 2.743 1.00 0.00 C ATOM 989 O LYS A 62 4.080 11.622 1.655 1.00 0.00 O ATOM 990 CB LYS A 62 2.578 10.390 4.277 1.00 0.00 C ATOM 991 CG LYS A 62 1.335 9.546 3.987 1.00 0.00 C ATOM 992 CD LYS A 62 0.225 10.443 3.437 1.00 0.00 C ATOM 993 CE LYS A 62 -1.136 9.915 3.898 1.00 0.00 C ATOM 994 NZ LYS A 62 -1.059 9.906 5.385 1.00 0.00 N ATOM 0 H LYS A 62 5.074 9.755 4.981 1.00 0.00 H new ATOM 0 HA LYS A 62 3.352 9.358 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.880 10.267 5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.354 11.447 4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.574 8.763 3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.999 9.050 4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.366 11.467 3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.268 10.466 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.947 10.554 3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.326 8.916 3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.976 10.194 5.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.824 8.948 5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.323 10.570 5.699 1.00 0.00 H new ATOM 1008 N LYS A 63 5.350 11.755 3.442 1.00 0.00 N ATOM 1009 CA LYS A 63 6.058 12.953 2.907 1.00 0.00 C ATOM 1010 C LYS A 63 7.398 13.139 3.625 1.00 0.00 C ATOM 1011 O LYS A 63 7.586 14.075 4.377 1.00 0.00 O ATOM 1012 CB LYS A 63 5.125 14.129 3.201 1.00 0.00 C ATOM 1013 CG LYS A 63 5.708 15.407 2.594 1.00 0.00 C ATOM 1014 CD LYS A 63 5.582 15.353 1.071 1.00 0.00 C ATOM 1015 CE LYS A 63 6.292 16.562 0.457 1.00 0.00 C ATOM 1016 NZ LYS A 63 7.381 15.985 -0.378 1.00 0.00 N ATOM 0 H LYS A 63 5.664 11.439 4.359 1.00 0.00 H new ATOM 0 HA LYS A 63 6.277 12.863 1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.136 13.935 2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.001 14.249 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.182 16.279 2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.755 15.513 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.020 14.430 0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.531 15.350 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.607 17.159 -0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.692 17.219 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.914 16.754 -0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.021 15.428 0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.969 15.370 -1.108 1.00 0.00 H new ATOM 1030 N LYS A 64 8.330 12.254 3.400 1.00 0.00 N ATOM 1031 CA LYS A 64 9.656 12.381 4.071 1.00 0.00 C ATOM 1032 C LYS A 64 9.470 12.518 5.584 1.00 0.00 C ATOM 1033 O LYS A 64 8.368 12.664 6.072 1.00 0.00 O ATOM 1034 CB LYS A 64 10.275 13.651 3.487 1.00 0.00 C ATOM 1035 CG LYS A 64 11.128 13.291 2.268 1.00 0.00 C ATOM 1036 CD LYS A 64 11.979 14.496 1.865 1.00 0.00 C ATOM 1037 CE LYS A 64 13.307 14.012 1.281 1.00 0.00 C ATOM 1038 NZ LYS A 64 14.354 14.742 2.048 1.00 0.00 N ATOM 0 H LYS A 64 8.232 11.449 2.781 1.00 0.00 H new ATOM 0 HA LYS A 64 10.289 11.509 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.491 14.352 3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.888 14.148 4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.770 12.440 2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.487 12.991 1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.446 15.101 1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.161 15.132 2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.417 12.933 1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.373 14.232 0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.295 14.462 1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.228 15.766 1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.271 14.508 3.058 1.00 0.00 H new ATOM 1052 N ARG A 65 10.540 12.470 6.331 1.00 0.00 N ATOM 1053 CA ARG A 65 10.419 12.597 7.811 1.00 0.00 C ATOM 1054 C ARG A 65 11.330 13.713 8.327 1.00 0.00 C ATOM 1055 O ARG A 65 11.268 14.092 9.480 1.00 0.00 O ATOM 1056 CB ARG A 65 10.867 11.242 8.361 1.00 0.00 C ATOM 1057 CG ARG A 65 12.384 11.106 8.210 1.00 0.00 C ATOM 1058 CD ARG A 65 12.708 9.824 7.442 1.00 0.00 C ATOM 1059 NE ARG A 65 14.005 9.356 8.004 1.00 0.00 N ATOM 1060 CZ ARG A 65 14.374 8.114 7.847 1.00 0.00 C ATOM 1061 NH1 ARG A 65 14.100 7.488 6.735 1.00 0.00 N ATOM 1062 NH2 ARG A 65 15.018 7.499 8.801 1.00 0.00 N ATOM 0 H ARG A 65 11.490 12.349 5.981 1.00 0.00 H new ATOM 0 HA ARG A 65 9.405 12.850 8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.586 11.153 9.410 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.364 10.436 7.826 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.786 11.970 7.682 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.857 11.084 9.192 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.927 9.076 7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.787 10.014 6.372 1.00 0.00 H new ATOM 0 HE ARG A 65 14.605 10.006 8.512 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.598 7.969 5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.388 6.517 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.233 7.989 9.669 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.306 6.528 8.678 1.00 0.00 H new ATOM 1076 N LEU A 66 12.177 14.241 7.485 1.00 0.00 N ATOM 1077 CA LEU A 66 13.094 15.333 7.930 1.00 0.00 C ATOM 1078 C LEU A 66 13.642 15.027 9.326 1.00 0.00 C ATOM 1079 O LEU A 66 13.574 15.843 10.223 1.00 0.00 O ATOM 1080 CB LEU A 66 12.228 16.593 7.955 1.00 0.00 C ATOM 1081 CG LEU A 66 12.707 17.563 6.872 1.00 0.00 C ATOM 1082 CD1 LEU A 66 14.158 17.958 7.145 1.00 0.00 C ATOM 1083 CD2 LEU A 66 12.613 16.883 5.503 1.00 0.00 C ATOM 0 H LEU A 66 12.275 13.964 6.508 1.00 0.00 H new ATOM 0 HA LEU A 66 13.954 15.445 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.183 16.332 7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.286 17.068 8.935 1.00 0.00 H new ATOM 0 HG LEU A 66 12.081 18.455 6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.498 18.649 6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.226 18.441 8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.785 17.067 7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.954 17.572 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.240 15.991 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.579 16.601 5.307 1.00 0.00 H new ATOM 1095 N GLY A 67 14.186 13.857 9.508 1.00 0.00 N ATOM 1096 CA GLY A 67 14.743 13.482 10.838 1.00 0.00 C ATOM 1097 C GLY A 67 13.811 13.965 11.948 1.00 0.00 C ATOM 1098 O GLY A 67 14.243 14.516 12.941 1.00 0.00 O ATOM 0 H GLY A 67 14.269 13.139 8.788 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.865 12.401 10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.732 13.922 10.965 1.00 0.00 H new ATOM 1102 N ARG A 68 12.537 13.761 11.784 1.00 0.00 N ATOM 1103 CA ARG A 68 11.569 14.205 12.825 1.00 0.00 C ATOM 1104 C ARG A 68 10.306 13.334 12.780 1.00 0.00 C ATOM 1105 O ARG A 68 10.211 12.402 12.006 1.00 0.00 O ATOM 1106 CB ARG A 68 11.275 15.669 12.464 1.00 0.00 C ATOM 1107 CG ARG A 68 9.975 15.787 11.659 1.00 0.00 C ATOM 1108 CD ARG A 68 9.784 17.237 11.205 1.00 0.00 C ATOM 1109 NE ARG A 68 8.698 17.771 12.072 1.00 0.00 N ATOM 1110 CZ ARG A 68 8.874 18.886 12.727 1.00 0.00 C ATOM 1111 NH1 ARG A 68 9.910 19.029 13.507 1.00 0.00 N ATOM 1112 NH2 ARG A 68 8.013 19.859 12.601 1.00 0.00 N ATOM 0 H ARG A 68 12.121 13.305 10.972 1.00 0.00 H new ATOM 0 HA ARG A 68 11.953 14.113 13.841 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.198 16.263 13.375 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.103 16.078 11.885 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.010 15.125 10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.128 15.471 12.268 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.702 17.812 11.323 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.509 17.288 10.151 1.00 0.00 H new ATOM 0 HE ARG A 68 7.816 17.265 12.154 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.583 18.269 13.605 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.047 19.901 14.019 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.203 19.748 11.991 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.150 20.731 13.113 1.00 0.00 H new ATOM 1126 N TYR A 69 9.337 13.630 13.603 1.00 0.00 N ATOM 1127 CA TYR A 69 8.085 12.819 13.601 1.00 0.00 C ATOM 1128 C TYR A 69 7.045 13.458 12.678 1.00 0.00 C ATOM 1129 O TYR A 69 6.284 14.316 13.082 1.00 0.00 O ATOM 1130 CB TYR A 69 7.598 12.836 15.050 1.00 0.00 C ATOM 1131 CG TYR A 69 6.236 12.191 15.131 1.00 0.00 C ATOM 1132 CD1 TYR A 69 6.026 10.925 14.570 1.00 0.00 C ATOM 1133 CD2 TYR A 69 5.181 12.859 15.764 1.00 0.00 C ATOM 1134 CE1 TYR A 69 4.762 10.327 14.645 1.00 0.00 C ATOM 1135 CE2 TYR A 69 3.917 12.261 15.838 1.00 0.00 C ATOM 1136 CZ TYR A 69 3.707 10.996 15.279 1.00 0.00 C ATOM 1137 OH TYR A 69 2.462 10.406 15.352 1.00 0.00 O ATOM 0 H TYR A 69 9.357 14.397 14.276 1.00 0.00 H new ATOM 0 HA TYR A 69 8.251 11.804 13.240 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.303 12.303 15.688 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.549 13.861 15.416 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.839 10.410 14.080 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.342 13.836 16.195 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.600 9.350 14.214 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.104 12.777 16.327 1.00 0.00 H new ATOM 0 HH TYR A 69 1.845 11.002 15.825 1.00 0.00 H new ATOM 1147 N LEU A 70 7.005 13.049 11.439 1.00 0.00 N ATOM 1148 CA LEU A 70 6.015 13.636 10.491 1.00 0.00 C ATOM 1149 C LEU A 70 5.557 12.582 9.491 1.00 0.00 C ATOM 1150 O LEU A 70 5.385 12.845 8.318 1.00 0.00 O ATOM 1151 CB LEU A 70 6.766 14.750 9.779 1.00 0.00 C ATOM 1152 CG LEU A 70 5.789 15.857 9.378 1.00 0.00 C ATOM 1153 CD1 LEU A 70 5.471 16.723 10.598 1.00 0.00 C ATOM 1154 CD2 LEU A 70 6.423 16.725 8.289 1.00 0.00 C ATOM 0 H LEU A 70 7.615 12.334 11.042 1.00 0.00 H new ATOM 0 HA LEU A 70 5.123 14.003 11.000 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.540 15.154 10.431 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.267 14.356 8.895 1.00 0.00 H new ATOM 0 HG LEU A 70 4.869 15.411 8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.775 17.512 10.313 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.021 16.105 11.375 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.390 17.170 10.977 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.728 17.514 8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.342 17.171 8.669 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.651 16.109 7.419 1.00 0.00 H new ATOM 1166 N GLY A 71 5.362 11.394 9.958 1.00 0.00 N ATOM 1167 CA GLY A 71 4.912 10.295 9.057 1.00 0.00 C ATOM 1168 C GLY A 71 5.832 9.086 9.225 1.00 0.00 C ATOM 1169 O GLY A 71 5.394 7.952 9.206 1.00 0.00 O ATOM 0 H GLY A 71 5.494 11.126 10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.884 10.018 9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.924 10.633 8.021 1.00 0.00 H new ATOM 1173 N LYS A 72 7.104 9.317 9.385 1.00 0.00 N ATOM 1174 CA LYS A 72 8.057 8.182 9.549 1.00 0.00 C ATOM 1175 C LYS A 72 8.066 7.320 8.285 1.00 0.00 C ATOM 1176 O LYS A 72 7.418 7.633 7.306 1.00 0.00 O ATOM 1177 CB LYS A 72 7.528 7.384 10.742 1.00 0.00 C ATOM 1178 CG LYS A 72 8.422 7.630 11.959 1.00 0.00 C ATOM 1179 CD LYS A 72 7.657 7.281 13.236 1.00 0.00 C ATOM 1180 CE LYS A 72 8.588 6.551 14.207 1.00 0.00 C ATOM 1181 NZ LYS A 72 7.825 6.469 15.483 1.00 0.00 N ATOM 0 H LYS A 72 7.527 10.245 9.410 1.00 0.00 H new ATOM 0 HA LYS A 72 9.080 8.520 9.712 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.503 7.680 10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.508 6.321 10.502 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.326 7.025 11.887 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.738 8.673 11.986 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.270 8.188 13.700 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.798 6.653 12.998 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.845 5.559 13.836 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.524 7.094 14.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.399 5.980 16.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.600 7.428 15.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.943 5.941 15.327 1.00 0.00 H new ATOM 1195 N ARG A 73 8.797 6.238 8.293 1.00 0.00 N ATOM 1196 CA ARG A 73 8.842 5.365 7.085 1.00 0.00 C ATOM 1197 C ARG A 73 8.840 3.890 7.491 1.00 0.00 C ATOM 1198 O ARG A 73 9.867 3.241 7.481 1.00 0.00 O ATOM 1199 CB ARG A 73 10.153 5.727 6.386 1.00 0.00 C ATOM 1200 CG ARG A 73 10.088 5.288 4.921 1.00 0.00 C ATOM 1201 CD ARG A 73 11.481 4.865 4.451 1.00 0.00 C ATOM 1202 NE ARG A 73 11.568 5.327 3.039 1.00 0.00 N ATOM 1203 CZ ARG A 73 12.336 6.335 2.728 1.00 0.00 C ATOM 1204 NH1 ARG A 73 12.081 7.522 3.205 1.00 0.00 N ATOM 1205 NH2 ARG A 73 13.360 6.155 1.938 1.00 0.00 N ATOM 0 H ARG A 73 9.363 5.922 9.081 1.00 0.00 H new ATOM 0 HA ARG A 73 7.978 5.514 6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.326 6.801 6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.991 5.240 6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.388 4.460 4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.716 6.105 4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.259 5.320 5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.610 3.785 4.522 1.00 0.00 H new ATOM 0 HE ARG A 73 11.027 4.856 2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.281 7.663 3.822 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.682 8.309 2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.559 5.227 1.564 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.961 6.942 1.694 1.00 0.00 H new ATOM 1219 N PRO A 74 7.676 3.410 7.830 1.00 0.00 N ATOM 1220 CA PRO A 74 7.526 1.995 8.239 1.00 0.00 C ATOM 1221 C PRO A 74 7.549 1.084 7.012 1.00 0.00 C ATOM 1222 O PRO A 74 7.917 1.492 5.928 1.00 0.00 O ATOM 1223 CB PRO A 74 6.159 1.960 8.911 1.00 0.00 C ATOM 1224 CG PRO A 74 5.398 3.100 8.312 1.00 0.00 C ATOM 1225 CD PRO A 74 6.402 4.134 7.864 1.00 0.00 C ATOM 0 HA PRO A 74 8.327 1.650 8.893 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.655 1.011 8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.249 2.071 9.992 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.798 2.759 7.469 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.709 3.526 9.042 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.147 4.537 6.884 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.441 4.976 8.555 1.00 0.00 H new ATOM 1233 N ASP A 75 7.148 -0.142 7.172 1.00 0.00 N ATOM 1234 CA ASP A 75 7.131 -1.077 6.020 1.00 0.00 C ATOM 1235 C ASP A 75 5.692 -1.477 5.709 1.00 0.00 C ATOM 1236 O ASP A 75 5.180 -2.456 6.216 1.00 0.00 O ATOM 1237 CB ASP A 75 7.942 -2.289 6.479 1.00 0.00 C ATOM 1238 CG ASP A 75 9.432 -1.944 6.458 1.00 0.00 C ATOM 1239 OD1 ASP A 75 9.792 -0.922 7.019 1.00 0.00 O ATOM 1240 OD2 ASP A 75 10.189 -2.708 5.880 1.00 0.00 O ATOM 0 H ASP A 75 6.830 -0.538 8.056 1.00 0.00 H new ATOM 0 HA ASP A 75 7.547 -0.636 5.114 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.640 -2.582 7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.746 -3.140 5.826 1.00 0.00 H new ATOM 1245 N ARG A 76 5.045 -0.728 4.874 1.00 0.00 N ATOM 1246 CA ARG A 76 3.635 -1.057 4.512 1.00 0.00 C ATOM 1247 C ARG A 76 3.495 -1.204 2.995 1.00 0.00 C ATOM 1248 O ARG A 76 4.218 -0.595 2.232 1.00 0.00 O ATOM 1249 CB ARG A 76 2.797 0.123 5.020 1.00 0.00 C ATOM 1250 CG ARG A 76 3.096 1.375 4.195 1.00 0.00 C ATOM 1251 CD ARG A 76 4.076 2.268 4.957 1.00 0.00 C ATOM 1252 NE ARG A 76 3.243 2.978 5.966 1.00 0.00 N ATOM 1253 CZ ARG A 76 2.852 4.203 5.745 1.00 0.00 C ATOM 1254 NH1 ARG A 76 2.651 4.613 4.523 1.00 0.00 N ATOM 1255 NH2 ARG A 76 2.663 5.017 6.747 1.00 0.00 N ATOM 0 H ARG A 76 5.427 0.102 4.421 1.00 0.00 H new ATOM 0 HA ARG A 76 3.311 -2.000 4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.736 -0.120 4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.017 0.310 6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.518 1.095 3.230 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.173 1.919 3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.858 1.678 5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.571 2.972 4.288 1.00 0.00 H new ATOM 0 HE ARG A 76 2.978 2.507 6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.799 3.976 3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.345 5.571 4.350 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.821 4.696 7.702 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.357 5.975 6.575 1.00 0.00 H new ATOM 1269 N LYS A 77 2.565 -2.004 2.553 1.00 0.00 N ATOM 1270 CA LYS A 77 2.368 -2.185 1.088 1.00 0.00 C ATOM 1271 C LYS A 77 0.919 -1.841 0.721 1.00 0.00 C ATOM 1272 O LYS A 77 -0.008 -2.204 1.417 1.00 0.00 O ATOM 1273 CB LYS A 77 2.671 -3.662 0.822 1.00 0.00 C ATOM 1274 CG LYS A 77 2.593 -3.944 -0.678 1.00 0.00 C ATOM 1275 CD LYS A 77 3.129 -5.351 -0.958 1.00 0.00 C ATOM 1276 CE LYS A 77 2.254 -6.032 -2.013 1.00 0.00 C ATOM 1277 NZ LYS A 77 2.428 -7.491 -1.769 1.00 0.00 N ATOM 0 H LYS A 77 1.931 -2.541 3.145 1.00 0.00 H new ATOM 0 HA LYS A 77 3.011 -1.538 0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.663 -3.913 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.959 -4.291 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.562 -3.860 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.174 -3.205 -1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.160 -5.296 -1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.134 -5.939 -0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.210 -5.736 -1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.566 -5.760 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.544 -7.989 -1.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.194 -7.855 -2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.668 -7.650 -0.770 1.00 0.00 H new ATOM 1291 N LYS A 78 0.717 -1.139 -0.361 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.674 -0.768 -0.759 1.00 0.00 C ATOM 1293 C LYS A 78 -1.163 -1.696 -1.872 1.00 0.00 C ATOM 1294 O LYS A 78 -0.386 -2.154 -2.681 1.00 0.00 O ATOM 1295 CB LYS A 78 -0.566 0.670 -1.270 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.272 1.615 -0.295 1.00 0.00 C ATOM 1297 CD LYS A 78 -1.581 2.936 -1.002 1.00 0.00 C ATOM 1298 CE LYS A 78 -2.244 3.900 -0.016 1.00 0.00 C ATOM 1299 NZ LYS A 78 -1.738 5.248 -0.399 1.00 0.00 N ATOM 0 H LYS A 78 1.452 -0.807 -0.986 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.381 -0.856 0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.482 0.953 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.016 0.750 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.194 1.159 0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.641 1.795 0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.663 3.374 -1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.239 2.760 -1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.331 3.851 -0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.980 3.656 1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.148 5.965 0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.701 5.266 -0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.011 5.455 -1.381 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.438 -1.986 -1.916 1.00 0.00 N ATOM 1314 CA ALA A 79 -2.950 -2.897 -2.984 1.00 0.00 C ATOM 1315 C ALA A 79 -4.204 -2.348 -3.643 1.00 0.00 C ATOM 1316 O ALA A 79 -5.209 -2.135 -3.003 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.294 -4.196 -2.276 1.00 0.00 C ATOM 0 H ALA A 79 -3.141 -1.635 -1.265 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.204 -3.019 -3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.677 -4.915 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.399 -4.600 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.052 -4.007 -1.516 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.159 -2.158 -4.928 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.356 -1.656 -5.647 1.00 0.00 C ATOM 1325 C ILE A 80 -6.077 -2.835 -6.286 1.00 0.00 C ATOM 1326 O ILE A 80 -5.576 -3.461 -7.196 1.00 0.00 O ATOM 1327 CB ILE A 80 -4.817 -0.705 -6.707 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.421 0.614 -6.046 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -5.900 -0.443 -7.755 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.410 0.355 -4.928 1.00 0.00 C ATOM 0 H ILE A 80 -3.341 -2.330 -5.513 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.067 -1.151 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.946 -1.150 -7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.991 1.287 -6.788 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.305 1.107 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.515 0.238 -8.514 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.188 -1.384 -8.224 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.770 0.004 -7.275 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.133 1.301 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.855 -0.302 -4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.521 -0.119 -5.344 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.239 -3.153 -5.803 1.00 0.00 N ATOM 1343 CA VAL A 81 -7.988 -4.315 -6.365 1.00 0.00 C ATOM 1344 C VAL A 81 -9.179 -3.838 -7.196 1.00 0.00 C ATOM 1345 O VAL A 81 -10.052 -3.152 -6.704 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.478 -5.106 -5.148 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.787 -6.544 -5.567 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.401 -5.117 -4.058 1.00 0.00 C ATOM 0 H VAL A 81 -7.708 -2.661 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.362 -4.917 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.378 -4.633 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.136 -7.108 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.561 -6.541 -6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.885 -7.009 -5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.760 -5.682 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.495 -5.583 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.181 -4.094 -3.754 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.238 -4.212 -8.444 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.390 -3.793 -9.280 1.00 0.00 C ATOM 1360 C GLN A 82 -11.323 -4.971 -9.460 1.00 0.00 C ATOM 1361 O GLN A 82 -10.886 -6.096 -9.606 1.00 0.00 O ATOM 1362 CB GLN A 82 -9.794 -3.390 -10.624 1.00 0.00 C ATOM 1363 CG GLN A 82 -10.895 -3.347 -11.688 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.952 -2.315 -11.288 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -12.964 -2.657 -10.711 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -11.758 -1.056 -11.573 1.00 0.00 N ATOM 0 H GLN A 82 -8.540 -4.787 -8.917 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.955 -2.976 -8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.316 -2.414 -10.542 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.020 -4.100 -10.917 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.469 -3.089 -12.657 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.353 -4.331 -11.792 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.908 -0.768 -12.058 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.456 -0.360 -11.311 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.598 -4.743 -9.469 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.508 -5.887 -9.664 1.00 0.00 C ATOM 1377 C VAL A 83 -14.165 -5.799 -11.036 1.00 0.00 C ATOM 1378 O VAL A 83 -14.270 -4.743 -11.627 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.557 -5.840 -8.549 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -13.930 -5.316 -7.256 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.715 -4.931 -8.963 1.00 0.00 C ATOM 0 H VAL A 83 -13.042 -3.832 -9.352 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.963 -6.830 -9.620 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.933 -6.849 -8.378 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.686 -5.287 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.117 -5.975 -6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.540 -4.312 -7.422 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.458 -4.902 -8.166 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.340 -3.924 -9.146 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.174 -5.318 -9.873 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.607 -6.903 -11.538 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.263 -6.905 -12.868 1.00 0.00 C ATOM 1393 C ALA A 84 -16.643 -6.259 -12.777 1.00 0.00 C ATOM 1394 O ALA A 84 -17.074 -5.849 -11.717 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.381 -8.375 -13.224 1.00 0.00 C ATOM 0 H ALA A 84 -14.544 -7.814 -11.084 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.704 -6.341 -13.615 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -15.858 -8.476 -14.199 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.387 -8.822 -13.258 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.983 -8.885 -12.471 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.288 -6.193 -13.903 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.638 -5.595 -13.976 1.00 0.00 C ATOM 1403 C PRO A 85 -19.669 -6.531 -13.344 1.00 0.00 C ATOM 1404 O PRO A 85 -19.611 -7.735 -13.502 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.880 -5.439 -15.474 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.001 -6.451 -16.118 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.820 -6.671 -15.205 1.00 0.00 C ATOM 0 HA PRO A 85 -18.721 -4.650 -13.439 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.927 -5.611 -15.724 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.633 -4.432 -15.810 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.542 -7.384 -16.277 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.670 -6.104 -17.097 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.536 -7.723 -15.166 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.945 -6.116 -15.543 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.610 -5.986 -12.626 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.644 -6.841 -11.979 1.00 0.00 C ATOM 1417 C GLY A 86 -21.399 -6.889 -10.469 1.00 0.00 C ATOM 1418 O GLY A 86 -22.317 -7.027 -9.686 1.00 0.00 O ATOM 0 H GLY A 86 -20.708 -4.985 -12.459 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.638 -6.444 -12.184 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.610 -7.848 -12.395 1.00 0.00 H new ATOM 1422 N GLN A 87 -20.165 -6.779 -10.053 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.866 -6.819 -8.591 1.00 0.00 C ATOM 1424 C GLN A 87 -19.371 -5.455 -8.109 1.00 0.00 C ATOM 1425 O GLN A 87 -19.201 -4.534 -8.884 1.00 0.00 O ATOM 1426 CB GLN A 87 -18.765 -7.866 -8.435 1.00 0.00 C ATOM 1427 CG GLN A 87 -17.680 -7.627 -9.486 1.00 0.00 C ATOM 1428 CD GLN A 87 -17.865 -8.610 -10.643 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -18.001 -8.208 -11.782 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -17.877 -9.892 -10.399 1.00 0.00 N ATOM 0 H GLN A 87 -19.353 -6.664 -10.660 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.750 -7.063 -8.002 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.335 -7.811 -7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.182 -8.867 -8.548 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.734 -6.602 -9.853 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.693 -7.754 -9.041 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -17.763 -10.230 -9.444 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.000 -10.556 -11.164 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.139 -5.321 -6.834 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.651 -4.020 -6.294 1.00 0.00 C ATOM 1441 C LYS A 88 -18.471 -4.108 -4.776 1.00 0.00 C ATOM 1442 O LYS A 88 -19.421 -4.282 -4.040 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.748 -3.011 -6.644 1.00 0.00 C ATOM 1444 CG LYS A 88 -19.174 -1.932 -7.564 1.00 0.00 C ATOM 1445 CD LYS A 88 -18.110 -1.131 -6.810 1.00 0.00 C ATOM 1446 CE LYS A 88 -18.372 0.366 -6.993 1.00 0.00 C ATOM 1447 NZ LYS A 88 -19.330 0.724 -5.911 1.00 0.00 N ATOM 0 H LYS A 88 -19.266 -6.057 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.685 -3.737 -6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -20.580 -3.517 -7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -20.143 -2.557 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -18.738 -2.390 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -19.969 -1.269 -7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.129 -1.387 -5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.117 -1.385 -7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.450 0.941 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.791 0.576 -7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.506 1.749 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -20.226 0.216 -6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.928 0.457 -4.990 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.260 -3.985 -4.300 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.033 -4.058 -2.827 1.00 0.00 C ATOM 1463 C ILE A 89 -17.657 -2.834 -2.148 1.00 0.00 C ATOM 1464 O ILE A 89 -16.982 -2.042 -1.519 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.513 -4.066 -2.659 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.929 -5.296 -3.363 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.164 -4.118 -1.170 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.423 -5.378 -3.098 1.00 0.00 C ATOM 0 H ILE A 89 -16.423 -3.838 -4.864 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.487 -4.939 -2.373 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.094 -3.161 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.421 -6.200 -3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.116 -5.236 -4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.081 -4.124 -1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.580 -3.244 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.582 -5.023 -0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.012 -6.254 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.937 -4.480 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.246 -5.459 -2.025 1.00 0.00 H new ATOM 1480 N GLU A 90 -18.947 -2.676 -2.280 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.643 -1.509 -1.661 1.00 0.00 C ATOM 1482 C GLU A 90 -19.425 -1.480 -0.145 1.00 0.00 C ATOM 1483 O GLU A 90 -19.714 -0.500 0.512 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.123 -1.718 -1.982 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.609 -3.017 -1.332 1.00 0.00 C ATOM 1486 CD GLU A 90 -23.001 -3.362 -1.863 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.927 -2.628 -1.563 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -23.117 -4.357 -2.560 1.00 0.00 O ATOM 0 H GLU A 90 -19.555 -3.312 -2.796 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.264 -0.562 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.708 -0.875 -1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.269 -1.762 -3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.914 -3.828 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.639 -2.905 -0.248 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.930 -2.546 0.421 1.00 0.00 N ATOM 1496 CA ALA A 91 -18.713 -2.571 1.897 1.00 0.00 C ATOM 1497 C ALA A 91 -17.856 -1.379 2.337 1.00 0.00 C ATOM 1498 O ALA A 91 -17.812 -1.033 3.501 1.00 0.00 O ATOM 1499 CB ALA A 91 -17.979 -3.885 2.166 1.00 0.00 C ATOM 0 H ALA A 91 -18.667 -3.399 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 91 -19.650 -2.503 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -17.781 -3.979 3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -18.596 -4.721 1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -17.035 -3.893 1.620 1.00 0.00 H new ATOM 1505 N LEU A 92 -17.181 -0.742 1.419 1.00 0.00 N ATOM 1506 CA LEU A 92 -16.335 0.433 1.797 1.00 0.00 C ATOM 1507 C LEU A 92 -17.011 1.721 1.336 1.00 0.00 C ATOM 1508 O LEU A 92 -16.757 2.791 1.854 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.996 0.263 1.061 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.760 -1.204 0.702 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -13.359 -1.369 0.108 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -14.882 -2.054 1.966 1.00 0.00 C ATOM 0 H LEU A 92 -17.177 -0.981 0.427 1.00 0.00 H new ATOM 0 HA LEU A 92 -16.192 0.487 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.994 0.869 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.182 0.625 1.689 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.500 -1.525 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -13.193 -2.416 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.270 -0.758 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.615 -1.051 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.715 -3.102 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -14.139 -1.731 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.880 -1.936 2.389 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.864 1.628 0.355 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.549 2.847 -0.151 1.00 0.00 C ATOM 1526 C GLU A 93 -19.249 3.580 0.998 1.00 0.00 C ATOM 1527 O GLU A 93 -19.562 4.750 0.901 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.573 2.336 -1.165 1.00 0.00 C ATOM 1529 CG GLU A 93 -18.929 2.268 -2.552 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.067 3.624 -3.246 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -20.169 3.950 -3.654 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -18.067 4.315 -3.358 1.00 0.00 O ATOM 0 H GLU A 93 -18.116 0.760 -0.118 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.851 3.555 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.931 1.350 -0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.440 2.997 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -17.877 1.999 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.407 1.492 -3.149 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.498 2.900 2.084 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.179 3.559 3.236 1.00 0.00 C ATOM 1541 C GLY A 94 -19.151 3.883 4.322 1.00 0.00 C ATOM 1542 O GLY A 94 -19.379 4.719 5.173 1.00 0.00 O ATOM 0 H GLY A 94 -19.260 1.918 2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.674 4.472 2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.953 2.904 3.637 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.024 3.228 4.302 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.985 3.501 5.337 1.00 0.00 C ATOM 1548 C LEU A 95 -16.793 5.011 5.508 1.00 0.00 C ATOM 1549 O LEU A 95 -16.357 5.477 6.542 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.708 2.855 4.798 1.00 0.00 C ATOM 1551 CG LEU A 95 -14.724 2.632 5.947 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -15.382 1.768 7.024 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.476 1.922 5.418 1.00 0.00 C ATOM 0 H LEU A 95 -17.776 2.516 3.615 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.261 3.103 6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.943 1.905 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.258 3.494 4.038 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.443 3.594 6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -14.680 1.610 7.843 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.272 2.272 7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.664 0.806 6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -12.774 1.763 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -13.759 0.960 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.005 2.537 4.651 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.113 5.778 4.503 1.00 0.00 N ATOM 1566 CA ILE A 96 -16.948 7.257 4.611 1.00 0.00 C ATOM 1567 C ILE A 96 -17.692 7.784 5.842 1.00 0.00 C ATOM 1568 O ILE A 96 -17.256 8.783 6.389 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.566 7.818 3.330 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -16.653 7.497 2.143 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -17.718 9.335 3.458 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.293 6.399 1.291 1.00 0.00 C ATOM 1573 OXT ILE A 96 -18.683 7.178 6.216 1.00 0.00 O ATOM 0 H ILE A 96 -17.481 5.446 3.612 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.904 7.550 4.722 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.545 7.367 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.492 8.392 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -15.675 7.172 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.159 9.735 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.365 9.566 4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.739 9.787 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -16.644 6.170 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -17.431 5.503 1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.260 6.741 0.923 1.00 0.00 H new TER 1585 ILE A 96