USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 842 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 13 LYS NZ :NH3+ 150:sc=-9.57e-05 (180deg=-0.219) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 171:sc=-7.14e-05 (180deg=0) USER MOD Set 2.1: A 33 HIS : no HE2:sc= -14.4! C(o=-18!,f=-17!) USER MOD Set 2.2: A 36 MET CE :methyl 141:sc= -3.35! (180deg=0) USER MOD Set 3.1: A 25 LYS NZ :NH3+ -120:sc= -1.36 (180deg=-1.42) USER MOD Set 3.2: A 29 TYR OH : rot 15:sc= -0.611 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.051 (180deg=-0.296) USER MOD Single : A 2 LYS NZ :NH3+ 176:sc= 0.0313 (180deg=0.0287) USER MOD Single : A 3 LYS NZ :NH3+ 146:sc= -0.263 (180deg=-1.01) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.7) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 170:sc= -0.812 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -165:sc= 0 (180deg=-0.332) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -3.85! C(o=-3.9!,f=-4.6!) USER MOD Single : A 42 THR OG1 : rot 87:sc= 1.05 USER MOD Single : A 43 LYS NZ :NH3+ 146:sc=-0.00854 (180deg=-0.167) USER MOD Single : A 46 SER OG : rot -3:sc= 0.38! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= 0.203 (180deg=-0.465) USER MOD Single : A 49 TYR OH : rot -40:sc= -1.5! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -166:sc=-0.00205 (180deg=-0.115) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -105:sc= 0.796! USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -1.87 K(o=-1.9,f=-1.4) USER MOD Single : A 69 GLN : amide:sc=-0.00641 X(o=-0.0064,f=-0.031) USER MOD Single : A 74 ASN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.47) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 88 ASN : amide:sc= -2.83 K(o=-2.8,f=-4!) USER MOD Single : A 90 LYS NZ :NH3+ -162:sc=-0.00258 (180deg=-0.145) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.096 19.279 -15.089 1.00 0.00 N ATOM 2 CA MET A 1 -13.340 20.042 -14.061 1.00 0.00 C ATOM 3 C MET A 1 -12.061 19.312 -13.664 1.00 0.00 C ATOM 4 O MET A 1 -11.068 19.936 -13.292 1.00 0.00 O ATOM 5 CB MET A 1 -14.240 20.234 -12.837 1.00 0.00 C ATOM 6 CG MET A 1 -15.349 21.250 -13.051 1.00 0.00 C ATOM 7 SD MET A 1 -16.478 21.350 -11.649 1.00 0.00 S ATOM 8 CE MET A 1 -16.906 23.089 -11.679 1.00 0.00 C ATOM 0 H1 MET A 1 -14.834 19.886 -15.500 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.446 18.969 -15.839 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.538 18.447 -14.648 1.00 0.00 H new ATOM 0 HA MET A 1 -13.052 21.010 -14.472 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.684 19.275 -12.569 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.628 20.549 -11.992 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.909 22.231 -13.229 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.911 20.986 -13.947 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.601 23.307 -10.868 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.004 23.688 -11.555 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.374 23.332 -12.633 1.00 0.00 H new ATOM 20 N LYS A 2 -12.092 17.986 -13.747 1.00 0.00 N ATOM 21 CA LYS A 2 -10.936 17.168 -13.396 1.00 0.00 C ATOM 22 C LYS A 2 -10.911 15.881 -14.215 1.00 0.00 C ATOM 23 O LYS A 2 -11.729 15.691 -15.115 1.00 0.00 O ATOM 24 CB LYS A 2 -10.951 16.842 -11.901 1.00 0.00 C ATOM 25 CG LYS A 2 -9.989 17.689 -11.086 1.00 0.00 C ATOM 26 CD LYS A 2 -10.671 18.931 -10.535 1.00 0.00 C ATOM 27 CE LYS A 2 -9.731 20.125 -10.528 1.00 0.00 C ATOM 28 NZ LYS A 2 -10.469 21.414 -10.646 1.00 0.00 N ATOM 0 H LYS A 2 -12.906 17.454 -14.055 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.035 17.737 -13.625 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.961 16.983 -11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.702 15.790 -11.764 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.589 17.097 -10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.144 17.982 -11.708 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.550 19.162 -11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.021 18.736 -9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.149 20.123 -9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.024 20.035 -11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.799 22.206 -10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.950 21.455 -11.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.174 21.482 -9.884 1.00 0.00 H new ATOM 42 N LYS A 3 -9.968 15.000 -13.896 1.00 0.00 N ATOM 43 CA LYS A 3 -9.838 13.731 -14.603 1.00 0.00 C ATOM 44 C LYS A 3 -9.192 12.674 -13.714 1.00 0.00 C ATOM 45 O LYS A 3 -8.119 12.894 -13.150 1.00 0.00 O ATOM 46 CB LYS A 3 -9.010 13.916 -15.877 1.00 0.00 C ATOM 47 CG LYS A 3 -9.841 14.288 -17.094 1.00 0.00 C ATOM 48 CD LYS A 3 -10.759 13.151 -17.511 1.00 0.00 C ATOM 49 CE LYS A 3 -10.830 13.017 -19.024 1.00 0.00 C ATOM 50 NZ LYS A 3 -9.485 12.810 -19.628 1.00 0.00 N ATOM 0 H LYS A 3 -9.283 15.141 -13.153 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.838 13.391 -14.872 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.264 14.692 -15.706 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -8.468 12.993 -16.085 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.436 15.174 -16.873 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.180 14.546 -17.922 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.402 12.216 -17.079 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.759 13.325 -17.113 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.477 12.179 -19.284 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.283 13.914 -19.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.569 12.188 -20.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.092 13.727 -19.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.854 12.371 -18.928 1.00 0.00 H new ATOM 64 N LEU A 4 -9.850 11.525 -13.594 1.00 0.00 N ATOM 65 CA LEU A 4 -9.340 10.429 -12.774 1.00 0.00 C ATOM 66 C LEU A 4 -9.327 10.814 -11.298 1.00 0.00 C ATOM 67 O LEU A 4 -9.869 11.849 -10.912 1.00 0.00 O ATOM 68 CB LEU A 4 -7.931 10.036 -13.227 1.00 0.00 C ATOM 69 CG LEU A 4 -7.706 8.535 -13.419 1.00 0.00 C ATOM 70 CD1 LEU A 4 -8.275 8.077 -14.752 1.00 0.00 C ATOM 71 CD2 LEU A 4 -6.225 8.204 -13.327 1.00 0.00 C ATOM 0 H LEU A 4 -10.739 11.328 -14.054 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.004 9.574 -12.901 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.714 10.543 -14.167 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.214 10.404 -12.493 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.227 8.003 -12.623 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.106 7.007 -14.871 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.345 8.280 -14.780 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.782 8.615 -15.562 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.082 7.132 -13.466 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.682 8.746 -14.102 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.847 8.496 -12.347 1.00 0.00 H new ATOM 83 N LYS A 5 -8.707 9.971 -10.478 1.00 0.00 N ATOM 84 CA LYS A 5 -8.626 10.225 -9.045 1.00 0.00 C ATOM 85 C LYS A 5 -7.486 9.434 -8.410 1.00 0.00 C ATOM 86 O LYS A 5 -6.835 8.624 -9.071 1.00 0.00 O ATOM 87 CB LYS A 5 -9.952 9.863 -8.368 1.00 0.00 C ATOM 88 CG LYS A 5 -10.262 8.376 -8.390 1.00 0.00 C ATOM 89 CD LYS A 5 -11.759 8.120 -8.441 1.00 0.00 C ATOM 90 CE LYS A 5 -12.078 6.643 -8.263 1.00 0.00 C ATOM 91 NZ LYS A 5 -12.111 5.922 -9.565 1.00 0.00 N ATOM 0 H LYS A 5 -8.255 9.108 -10.781 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.427 11.287 -8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.927 10.205 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.761 10.401 -8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.784 7.916 -9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.841 7.902 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.255 8.697 -7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.156 8.467 -9.395 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.331 6.186 -7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.042 6.537 -7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.331 4.919 -9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.841 6.341 -10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.184 6.001 -10.029 1.00 0.00 H new ATOM 105 N LYS A 6 -7.256 9.674 -7.121 1.00 0.00 N ATOM 106 CA LYS A 6 -6.201 8.988 -6.375 1.00 0.00 C ATOM 107 C LYS A 6 -4.898 8.924 -7.169 1.00 0.00 C ATOM 108 O LYS A 6 -4.335 7.846 -7.370 1.00 0.00 O ATOM 109 CB LYS A 6 -6.654 7.576 -5.991 1.00 0.00 C ATOM 110 CG LYS A 6 -7.006 6.701 -7.185 1.00 0.00 C ATOM 111 CD LYS A 6 -7.243 5.259 -6.766 1.00 0.00 C ATOM 112 CE LYS A 6 -7.628 4.390 -7.953 1.00 0.00 C ATOM 113 NZ LYS A 6 -8.339 3.153 -7.528 1.00 0.00 N ATOM 0 H LYS A 6 -7.790 10.344 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.011 9.563 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.862 7.093 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.522 7.648 -5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.899 7.091 -7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.200 6.741 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.341 4.862 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.033 5.222 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.265 4.961 -8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.732 4.120 -8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.584 2.588 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.722 2.596 -6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.208 3.410 -7.018 1.00 0.00 H new ATOM 127 N HIS A 7 -4.418 10.081 -7.612 1.00 0.00 N ATOM 128 CA HIS A 7 -3.177 10.148 -8.375 1.00 0.00 C ATOM 129 C HIS A 7 -2.761 11.596 -8.621 1.00 0.00 C ATOM 130 O HIS A 7 -1.655 11.999 -8.260 1.00 0.00 O ATOM 131 CB HIS A 7 -3.325 9.403 -9.705 1.00 0.00 C ATOM 132 CG HIS A 7 -2.523 8.141 -9.776 1.00 0.00 C ATOM 133 ND1 HIS A 7 -1.319 7.975 -9.124 1.00 0.00 N ATOM 134 CD2 HIS A 7 -2.758 6.977 -10.430 1.00 0.00 C ATOM 135 CE1 HIS A 7 -0.848 6.765 -9.374 1.00 0.00 C ATOM 136 NE2 HIS A 7 -1.703 6.140 -10.162 1.00 0.00 N ATOM 0 H HIS A 7 -4.868 10.983 -7.456 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.395 9.666 -7.788 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -4.377 9.165 -9.864 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.021 10.063 -10.518 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -3.615 6.750 -11.047 1.00 0.00 H new ATOM 0 HE1 HIS A 7 0.079 6.357 -8.998 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -1.597 5.189 -10.515 1.00 0.00 H new ATOM 145 N PRO A 8 -3.638 12.404 -9.245 1.00 0.00 N ATOM 146 CA PRO A 8 -3.357 13.799 -9.540 1.00 0.00 C ATOM 147 C PRO A 8 -3.868 14.745 -8.454 1.00 0.00 C ATOM 148 O PRO A 8 -3.082 15.318 -7.700 1.00 0.00 O ATOM 149 CB PRO A 8 -4.118 14.022 -10.849 1.00 0.00 C ATOM 150 CG PRO A 8 -5.204 12.982 -10.881 1.00 0.00 C ATOM 151 CD PRO A 8 -4.973 12.035 -9.722 1.00 0.00 C ATOM 0 HA PRO A 8 -2.288 14.003 -9.601 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.539 15.027 -10.889 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.455 13.920 -11.708 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.185 13.451 -10.801 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.186 12.440 -11.827 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.727 12.160 -8.944 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.013 10.993 -10.040 1.00 0.00 H new ATOM 159 N ASP A 9 -5.186 14.908 -8.383 1.00 0.00 N ATOM 160 CA ASP A 9 -5.798 15.789 -7.395 1.00 0.00 C ATOM 161 C ASP A 9 -5.418 15.386 -5.974 1.00 0.00 C ATOM 162 O ASP A 9 -4.655 16.082 -5.304 1.00 0.00 O ATOM 163 CB ASP A 9 -7.320 15.780 -7.547 1.00 0.00 C ATOM 164 CG ASP A 9 -7.806 16.806 -8.551 1.00 0.00 C ATOM 165 OD1 ASP A 9 -7.324 16.787 -9.702 1.00 0.00 O ATOM 166 OD2 ASP A 9 -8.671 17.631 -8.185 1.00 0.00 O ATOM 0 H ASP A 9 -5.851 14.440 -8.999 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.422 16.796 -7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.645 14.788 -7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.780 15.977 -6.579 1.00 0.00 H new ATOM 171 N PHE A 10 -5.961 14.263 -5.516 1.00 0.00 N ATOM 172 CA PHE A 10 -5.685 13.775 -4.169 1.00 0.00 C ATOM 173 C PHE A 10 -4.840 12.501 -4.205 1.00 0.00 C ATOM 174 O PHE A 10 -5.371 11.400 -4.348 1.00 0.00 O ATOM 175 CB PHE A 10 -6.996 13.508 -3.425 1.00 0.00 C ATOM 176 CG PHE A 10 -7.353 14.577 -2.432 1.00 0.00 C ATOM 177 CD1 PHE A 10 -6.631 14.716 -1.256 1.00 0.00 C ATOM 178 CD2 PHE A 10 -8.409 15.442 -2.671 1.00 0.00 C ATOM 179 CE1 PHE A 10 -6.956 15.700 -0.340 1.00 0.00 C ATOM 180 CE2 PHE A 10 -8.739 16.426 -1.758 1.00 0.00 C ATOM 181 CZ PHE A 10 -8.010 16.555 -0.591 1.00 0.00 C ATOM 0 H PHE A 10 -6.594 13.674 -6.057 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.121 14.545 -3.642 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.803 13.414 -4.151 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.921 12.552 -2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.806 14.049 -1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -8.981 15.346 -3.582 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.385 15.799 0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.565 17.093 -1.956 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.265 17.324 0.124 1.00 0.00 H new ATOM 191 N PRO A 11 -3.507 12.632 -4.070 1.00 0.00 N ATOM 192 CA PRO A 11 -2.598 11.481 -4.083 1.00 0.00 C ATOM 193 C PRO A 11 -2.960 10.455 -3.014 1.00 0.00 C ATOM 194 O PRO A 11 -3.933 10.628 -2.281 1.00 0.00 O ATOM 195 CB PRO A 11 -1.226 12.096 -3.788 1.00 0.00 C ATOM 196 CG PRO A 11 -1.358 13.530 -4.172 1.00 0.00 C ATOM 197 CD PRO A 11 -2.784 13.903 -3.890 1.00 0.00 C ATOM 0 HA PRO A 11 -2.638 10.942 -5.030 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.964 11.991 -2.735 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.441 11.604 -4.362 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.671 14.152 -3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.117 13.676 -5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.905 14.296 -2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.142 14.671 -4.576 1.00 0.00 H new ATOM 205 N LYS A 12 -2.174 9.387 -2.928 1.00 0.00 N ATOM 206 CA LYS A 12 -2.419 8.338 -1.944 1.00 0.00 C ATOM 207 C LYS A 12 -1.301 7.299 -1.958 1.00 0.00 C ATOM 208 O LYS A 12 -0.762 6.966 -3.014 1.00 0.00 O ATOM 209 CB LYS A 12 -3.768 7.665 -2.212 1.00 0.00 C ATOM 210 CG LYS A 12 -4.815 7.960 -1.150 1.00 0.00 C ATOM 211 CD LYS A 12 -5.850 6.849 -1.064 1.00 0.00 C ATOM 212 CE LYS A 12 -7.235 7.399 -0.761 1.00 0.00 C ATOM 213 NZ LYS A 12 -8.072 6.418 -0.018 1.00 0.00 N ATOM 0 H LYS A 12 -1.364 9.225 -3.526 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.441 8.799 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.143 7.994 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.621 6.587 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.329 8.081 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.311 8.904 -1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.874 6.299 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.561 6.141 -0.288 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.142 8.314 -0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.731 7.667 -1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.008 6.831 0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.182 5.554 -0.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.612 6.182 0.884 1.00 0.00 H new ATOM 227 N LYS A 13 -0.963 6.789 -0.778 1.00 0.00 N ATOM 228 CA LYS A 13 0.084 5.782 -0.647 1.00 0.00 C ATOM 229 C LYS A 13 -0.241 4.553 -1.492 1.00 0.00 C ATOM 230 O LYS A 13 -1.398 4.318 -1.837 1.00 0.00 O ATOM 231 CB LYS A 13 0.244 5.380 0.821 1.00 0.00 C ATOM 232 CG LYS A 13 -0.982 4.689 1.396 1.00 0.00 C ATOM 233 CD LYS A 13 -0.772 4.300 2.850 1.00 0.00 C ATOM 234 CE LYS A 13 -0.626 5.525 3.739 1.00 0.00 C ATOM 235 NZ LYS A 13 0.798 5.805 4.068 1.00 0.00 N ATOM 0 H LYS A 13 -1.400 7.058 0.103 1.00 0.00 H new ATOM 0 HA LYS A 13 1.020 6.210 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.104 4.717 0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.461 6.270 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.845 5.351 1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.208 3.799 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.614 3.699 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.119 3.678 2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.060 6.391 3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.189 5.374 4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.928 6.828 4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.058 5.302 4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.405 5.482 3.288 1.00 0.00 H new ATOM 249 N PRO A 14 0.778 3.748 -1.840 1.00 0.00 N ATOM 250 CA PRO A 14 0.580 2.541 -2.647 1.00 0.00 C ATOM 251 C PRO A 14 -0.165 1.457 -1.882 1.00 0.00 C ATOM 252 O PRO A 14 -0.400 1.579 -0.679 1.00 0.00 O ATOM 253 CB PRO A 14 2.005 2.085 -2.969 1.00 0.00 C ATOM 254 CG PRO A 14 2.841 2.647 -1.873 1.00 0.00 C ATOM 255 CD PRO A 14 2.193 3.945 -1.473 1.00 0.00 C ATOM 0 HA PRO A 14 -0.025 2.737 -3.532 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.074 0.998 -3.002 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.328 2.454 -3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.889 1.960 -1.029 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.865 2.811 -2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.308 4.140 -0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.631 4.792 -2.001 1.00 0.00 H new ATOM 263 N LEU A 15 -0.532 0.393 -2.586 1.00 0.00 N ATOM 264 CA LEU A 15 -1.250 -0.716 -1.971 1.00 0.00 C ATOM 265 C LEU A 15 -0.277 -1.680 -1.304 1.00 0.00 C ATOM 266 O LEU A 15 0.920 -1.662 -1.584 1.00 0.00 O ATOM 267 CB LEU A 15 -2.080 -1.460 -3.017 1.00 0.00 C ATOM 268 CG LEU A 15 -3.407 -0.792 -3.386 1.00 0.00 C ATOM 269 CD1 LEU A 15 -3.886 -1.280 -4.742 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.455 -1.066 -2.319 1.00 0.00 C ATOM 0 H LEU A 15 -0.345 0.275 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.918 -0.309 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.482 -1.570 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.287 -2.464 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.249 0.285 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.831 -0.796 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.142 -1.035 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.029 -2.360 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.392 -0.584 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.612 -2.141 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.113 -0.670 -1.363 1.00 0.00 H new ATOM 282 N THR A 16 -0.799 -2.527 -0.424 1.00 0.00 N ATOM 283 CA THR A 16 0.029 -3.502 0.274 1.00 0.00 C ATOM 284 C THR A 16 0.340 -4.682 -0.641 1.00 0.00 C ATOM 285 O THR A 16 -0.472 -5.045 -1.493 1.00 0.00 O ATOM 286 CB THR A 16 -0.671 -3.992 1.544 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.641 -4.975 1.236 1.00 0.00 O ATOM 288 CG2 THR A 16 -1.365 -2.889 2.313 1.00 0.00 C ATOM 0 H THR A 16 -1.788 -2.558 -0.178 1.00 0.00 H new ATOM 0 HA THR A 16 0.964 -3.019 0.558 1.00 0.00 H new ATOM 0 HB THR A 16 0.123 -4.402 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.961 -5.389 2.064 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.840 -3.307 3.201 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.634 -2.138 2.612 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.122 -2.426 1.681 1.00 0.00 H new ATOM 296 N PRO A 17 1.522 -5.303 -0.481 1.00 0.00 N ATOM 297 CA PRO A 17 1.924 -6.446 -1.303 1.00 0.00 C ATOM 298 C PRO A 17 0.810 -7.477 -1.432 1.00 0.00 C ATOM 299 O PRO A 17 0.644 -8.104 -2.478 1.00 0.00 O ATOM 300 CB PRO A 17 3.112 -7.033 -0.544 1.00 0.00 C ATOM 301 CG PRO A 17 3.684 -5.890 0.226 1.00 0.00 C ATOM 302 CD PRO A 17 2.549 -4.942 0.512 1.00 0.00 C ATOM 0 HA PRO A 17 2.163 -6.152 -2.325 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.797 -7.838 0.120 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.848 -7.455 -1.229 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.139 -6.238 1.153 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.467 -5.393 -0.346 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.178 -5.060 1.530 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.860 -3.903 0.404 1.00 0.00 H new ATOM 310 N TYR A 18 0.039 -7.639 -0.361 1.00 0.00 N ATOM 311 CA TYR A 18 -1.069 -8.582 -0.352 1.00 0.00 C ATOM 312 C TYR A 18 -2.273 -7.985 -1.080 1.00 0.00 C ATOM 313 O TYR A 18 -3.049 -8.703 -1.710 1.00 0.00 O ATOM 314 CB TYR A 18 -1.451 -8.945 1.084 1.00 0.00 C ATOM 315 CG TYR A 18 -2.625 -9.894 1.185 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.741 -10.981 0.326 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.618 -9.703 2.138 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.812 -11.849 0.416 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.693 -10.568 2.233 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.785 -11.639 1.370 1.00 0.00 C ATOM 321 OH TYR A 18 -5.853 -12.501 1.461 1.00 0.00 O ATOM 0 H TYR A 18 0.163 -7.127 0.512 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.757 -9.489 -0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.589 -9.395 1.576 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.687 -8.031 1.629 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.982 -11.149 -0.423 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.549 -8.865 2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.887 -12.689 -0.259 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.456 -10.405 2.979 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.446 -12.212 2.185 1.00 0.00 H new ATOM 331 N PHE A 19 -2.415 -6.664 -0.987 1.00 0.00 N ATOM 332 CA PHE A 19 -3.517 -5.965 -1.639 1.00 0.00 C ATOM 333 C PHE A 19 -3.375 -6.035 -3.155 1.00 0.00 C ATOM 334 O PHE A 19 -4.275 -6.500 -3.850 1.00 0.00 O ATOM 335 CB PHE A 19 -3.572 -4.505 -1.181 1.00 0.00 C ATOM 336 CG PHE A 19 -4.776 -4.184 -0.341 1.00 0.00 C ATOM 337 CD1 PHE A 19 -4.744 -4.356 1.034 1.00 0.00 C ATOM 338 CD2 PHE A 19 -5.937 -3.708 -0.927 1.00 0.00 C ATOM 339 CE1 PHE A 19 -5.850 -4.060 1.808 1.00 0.00 C ATOM 340 CE2 PHE A 19 -7.046 -3.410 -0.156 1.00 0.00 C ATOM 341 CZ PHE A 19 -7.002 -3.586 1.212 1.00 0.00 C ATOM 0 H PHE A 19 -1.781 -6.058 -0.467 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.448 -6.456 -1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.671 -4.277 -0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.568 -3.857 -2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.845 -4.725 1.505 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.977 -3.568 -1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.813 -4.199 2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.946 -3.040 -0.624 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.867 -3.353 1.815 1.00 0.00 H new ATOM 351 N ARG A 20 -2.232 -5.579 -3.661 1.00 0.00 N ATOM 352 CA ARG A 20 -1.970 -5.600 -5.098 1.00 0.00 C ATOM 353 C ARG A 20 -1.907 -7.033 -5.631 1.00 0.00 C ATOM 354 O ARG A 20 -1.789 -7.247 -6.834 1.00 0.00 O ATOM 355 CB ARG A 20 -0.667 -4.869 -5.418 1.00 0.00 C ATOM 356 CG ARG A 20 0.470 -5.190 -4.460 1.00 0.00 C ATOM 357 CD ARG A 20 1.812 -4.751 -5.023 1.00 0.00 C ATOM 358 NE ARG A 20 1.740 -3.429 -5.640 1.00 0.00 N ATOM 359 CZ ARG A 20 1.969 -2.289 -4.990 1.00 0.00 C ATOM 360 NH1 ARG A 20 2.271 -2.301 -3.697 1.00 0.00 N ATOM 361 NH2 ARG A 20 1.889 -1.134 -5.634 1.00 0.00 N ATOM 0 H ARG A 20 -1.474 -5.191 -3.099 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.796 -5.087 -5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.358 -5.124 -6.432 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.851 -3.795 -5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.294 -4.694 -3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.490 -6.262 -4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.554 -4.739 -4.224 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.151 -5.478 -5.761 1.00 0.00 H new ATOM 0 HE ARG A 20 1.499 -3.375 -6.630 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.329 -3.187 -3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.445 -1.424 -3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.652 -1.119 -6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.064 -0.260 -5.138 1.00 0.00 H new ATOM 375 N PHE A 21 -1.983 -8.009 -4.730 1.00 0.00 N ATOM 376 CA PHE A 21 -1.938 -9.416 -5.108 1.00 0.00 C ATOM 377 C PHE A 21 -3.347 -10.003 -5.131 1.00 0.00 C ATOM 378 O PHE A 21 -3.718 -10.752 -6.040 1.00 0.00 O ATOM 379 CB PHE A 21 -1.069 -10.179 -4.108 1.00 0.00 C ATOM 380 CG PHE A 21 -0.841 -11.620 -4.458 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.878 -12.536 -4.418 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.420 -12.057 -4.819 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.660 -13.865 -4.732 1.00 0.00 C ATOM 384 CE2 PHE A 21 0.648 -13.381 -5.135 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.394 -14.287 -5.092 1.00 0.00 C ATOM 0 H PHE A 21 -2.077 -7.848 -3.727 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.510 -9.507 -6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.103 -9.680 -4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.536 -10.126 -3.125 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.869 -12.209 -4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.238 -11.353 -4.854 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.476 -14.571 -4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.638 -13.708 -5.415 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.220 -15.324 -5.339 1.00 0.00 H new ATOM 395 N PHE A 22 -4.126 -9.640 -4.121 1.00 0.00 N ATOM 396 CA PHE A 22 -5.496 -10.108 -3.990 1.00 0.00 C ATOM 397 C PHE A 22 -6.388 -9.376 -4.979 1.00 0.00 C ATOM 398 O PHE A 22 -7.088 -9.992 -5.781 1.00 0.00 O ATOM 399 CB PHE A 22 -5.959 -9.872 -2.543 1.00 0.00 C ATOM 400 CG PHE A 22 -7.441 -9.989 -2.308 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.303 -8.975 -2.694 1.00 0.00 C ATOM 402 CD2 PHE A 22 -7.965 -11.102 -1.670 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.661 -9.073 -2.455 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.322 -11.204 -1.424 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.172 -10.187 -1.817 1.00 0.00 C ATOM 0 H PHE A 22 -3.826 -9.015 -3.373 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.557 -11.173 -4.213 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.449 -10.586 -1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.638 -8.877 -2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.909 -8.098 -3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.306 -11.900 -1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.323 -8.279 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.717 -12.077 -0.926 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.232 -10.263 -1.626 1.00 0.00 H new ATOM 415 N MET A 23 -6.338 -8.055 -4.911 1.00 0.00 N ATOM 416 CA MET A 23 -7.123 -7.196 -5.781 1.00 0.00 C ATOM 417 C MET A 23 -6.756 -7.377 -7.256 1.00 0.00 C ATOM 418 O MET A 23 -7.616 -7.260 -8.129 1.00 0.00 O ATOM 419 CB MET A 23 -6.902 -5.745 -5.366 1.00 0.00 C ATOM 420 CG MET A 23 -8.017 -5.186 -4.498 1.00 0.00 C ATOM 421 SD MET A 23 -8.527 -3.531 -5.001 1.00 0.00 S ATOM 422 CE MET A 23 -8.475 -2.669 -3.432 1.00 0.00 C ATOM 0 H MET A 23 -5.750 -7.548 -4.249 1.00 0.00 H new ATOM 0 HA MET A 23 -8.173 -7.470 -5.676 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.959 -5.670 -4.825 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.806 -5.130 -6.261 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.876 -5.855 -4.541 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.685 -5.160 -3.460 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.010 -1.723 -3.519 1.00 0.00 H new ATOM 0 HE2 MET A 23 -8.945 -3.283 -2.664 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.438 -2.475 -3.157 1.00 0.00 H new ATOM 432 N GLU A 24 -5.480 -7.638 -7.535 1.00 0.00 N ATOM 433 CA GLU A 24 -5.031 -7.804 -8.916 1.00 0.00 C ATOM 434 C GLU A 24 -5.582 -9.081 -9.546 1.00 0.00 C ATOM 435 O GLU A 24 -6.027 -9.065 -10.694 1.00 0.00 O ATOM 436 CB GLU A 24 -3.497 -7.788 -9.001 1.00 0.00 C ATOM 437 CG GLU A 24 -2.834 -9.089 -8.576 1.00 0.00 C ATOM 438 CD GLU A 24 -2.793 -10.119 -9.689 1.00 0.00 C ATOM 439 OE1 GLU A 24 -3.269 -9.812 -10.802 1.00 0.00 O ATOM 440 OE2 GLU A 24 -2.281 -11.232 -9.448 1.00 0.00 O ATOM 0 H GLU A 24 -4.747 -7.738 -6.833 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.423 -6.959 -9.482 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.204 -7.562 -10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.118 -6.979 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.817 -8.881 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.371 -9.504 -7.723 1.00 0.00 H new ATOM 447 N LYS A 25 -5.549 -10.188 -8.808 1.00 0.00 N ATOM 448 CA LYS A 25 -6.049 -11.450 -9.340 1.00 0.00 C ATOM 449 C LYS A 25 -7.512 -11.686 -8.958 1.00 0.00 C ATOM 450 O LYS A 25 -8.095 -12.704 -9.329 1.00 0.00 O ATOM 451 CB LYS A 25 -5.171 -12.615 -8.874 1.00 0.00 C ATOM 452 CG LYS A 25 -5.563 -13.187 -7.524 1.00 0.00 C ATOM 453 CD LYS A 25 -4.340 -13.628 -6.736 1.00 0.00 C ATOM 454 CE LYS A 25 -3.743 -14.908 -7.298 1.00 0.00 C ATOM 455 NZ LYS A 25 -4.732 -16.020 -7.326 1.00 0.00 N ATOM 0 H LYS A 25 -5.187 -10.237 -7.856 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.002 -11.392 -10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.215 -13.409 -9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.135 -12.279 -8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.114 -12.438 -6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.232 -14.036 -7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.590 -12.837 -6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.615 -13.782 -5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.376 -14.724 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.884 -15.202 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.385 -16.808 -6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.642 -15.685 -6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.862 -16.345 -8.305 1.00 0.00 H new ATOM 469 N ARG A 26 -8.106 -10.742 -8.230 1.00 0.00 N ATOM 470 CA ARG A 26 -9.505 -10.864 -7.829 1.00 0.00 C ATOM 471 C ARG A 26 -10.378 -11.023 -9.061 1.00 0.00 C ATOM 472 O ARG A 26 -11.399 -11.706 -9.034 1.00 0.00 O ATOM 473 CB ARG A 26 -9.965 -9.637 -7.029 1.00 0.00 C ATOM 474 CG ARG A 26 -9.796 -9.734 -5.513 1.00 0.00 C ATOM 475 CD ARG A 26 -9.793 -11.171 -4.994 1.00 0.00 C ATOM 476 NE ARG A 26 -10.916 -11.961 -5.500 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.196 -11.623 -5.359 1.00 0.00 C ATOM 478 NH1 ARG A 26 -12.542 -10.571 -4.629 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.140 -12.369 -5.918 1.00 0.00 N ATOM 0 H ARG A 26 -7.644 -9.891 -7.908 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.599 -11.743 -7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.412 -8.767 -7.383 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.017 -9.457 -7.248 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.862 -9.250 -5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.602 -9.182 -5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.858 -11.653 -5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.826 -11.159 -3.905 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.704 -12.828 -5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.824 -10.011 -4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.526 -10.322 -4.528 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.884 -13.198 -6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.122 -12.113 -5.812 1.00 0.00 H new ATOM 493 N ALA A 27 -9.949 -10.397 -10.151 1.00 0.00 N ATOM 494 CA ALA A 27 -10.670 -10.482 -11.409 1.00 0.00 C ATOM 495 C ALA A 27 -10.704 -11.924 -11.880 1.00 0.00 C ATOM 496 O ALA A 27 -11.692 -12.391 -12.446 1.00 0.00 O ATOM 497 CB ALA A 27 -10.001 -9.608 -12.455 1.00 0.00 C ATOM 0 H ALA A 27 -9.105 -9.826 -10.186 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.691 -10.129 -11.260 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.550 -9.679 -13.394 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.997 -8.572 -12.115 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.975 -9.944 -12.608 1.00 0.00 H new ATOM 503 N LYS A 28 -9.605 -12.623 -11.625 1.00 0.00 N ATOM 504 CA LYS A 28 -9.482 -14.026 -12.003 1.00 0.00 C ATOM 505 C LYS A 28 -10.149 -14.934 -10.971 1.00 0.00 C ATOM 506 O LYS A 28 -10.348 -16.123 -11.215 1.00 0.00 O ATOM 507 CB LYS A 28 -8.005 -14.402 -12.157 1.00 0.00 C ATOM 508 CG LYS A 28 -7.668 -14.988 -13.519 1.00 0.00 C ATOM 509 CD LYS A 28 -8.057 -14.045 -14.645 1.00 0.00 C ATOM 510 CE LYS A 28 -9.294 -14.535 -15.382 1.00 0.00 C ATOM 511 NZ LYS A 28 -9.255 -14.181 -16.827 1.00 0.00 N ATOM 0 H LYS A 28 -8.784 -12.240 -11.157 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.989 -14.166 -12.958 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.393 -13.516 -11.990 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.739 -15.123 -11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.600 -15.197 -13.572 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.186 -15.939 -13.645 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.244 -13.051 -14.240 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.228 -13.953 -15.346 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.376 -15.617 -15.275 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.184 -14.102 -14.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.115 -14.532 -17.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.203 -13.147 -16.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.420 -14.616 -17.268 1.00 0.00 H new ATOM 525 N TYR A 29 -10.482 -14.367 -9.816 1.00 0.00 N ATOM 526 CA TYR A 29 -11.114 -15.122 -8.742 1.00 0.00 C ATOM 527 C TYR A 29 -12.620 -14.884 -8.695 1.00 0.00 C ATOM 528 O TYR A 29 -13.389 -15.789 -8.375 1.00 0.00 O ATOM 529 CB TYR A 29 -10.482 -14.740 -7.408 1.00 0.00 C ATOM 530 CG TYR A 29 -9.367 -15.663 -6.982 1.00 0.00 C ATOM 531 CD1 TYR A 29 -8.543 -16.275 -7.919 1.00 0.00 C ATOM 532 CD2 TYR A 29 -9.144 -15.924 -5.641 1.00 0.00 C ATOM 533 CE1 TYR A 29 -7.528 -17.123 -7.525 1.00 0.00 C ATOM 534 CE2 TYR A 29 -8.134 -16.768 -5.239 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.326 -17.368 -6.183 1.00 0.00 C ATOM 536 OH TYR A 29 -6.316 -18.213 -5.783 1.00 0.00 O ATOM 0 H TYR A 29 -10.323 -13.383 -9.600 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.955 -16.183 -8.935 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.095 -13.723 -7.477 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.253 -14.736 -6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.699 -16.084 -8.970 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.773 -15.457 -4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.895 -17.592 -8.264 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.974 -16.960 -4.188 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.699 -18.362 -6.530 1.00 0.00 H new ATOM 546 N ALA A 30 -13.034 -13.664 -9.020 1.00 0.00 N ATOM 547 CA ALA A 30 -14.449 -13.317 -9.018 1.00 0.00 C ATOM 548 C ALA A 30 -15.160 -13.994 -10.180 1.00 0.00 C ATOM 549 O ALA A 30 -16.382 -14.142 -10.182 1.00 0.00 O ATOM 550 CB ALA A 30 -14.625 -11.807 -9.090 1.00 0.00 C ATOM 0 H ALA A 30 -12.411 -12.902 -9.287 1.00 0.00 H new ATOM 0 HA ALA A 30 -14.893 -13.671 -8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.688 -11.564 -9.088 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.145 -11.343 -8.228 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.169 -11.431 -10.006 1.00 0.00 H new ATOM 556 N LYS A 31 -14.373 -14.411 -11.163 1.00 0.00 N ATOM 557 CA LYS A 31 -14.894 -15.083 -12.338 1.00 0.00 C ATOM 558 C LYS A 31 -14.864 -16.594 -12.141 1.00 0.00 C ATOM 559 O LYS A 31 -15.719 -17.320 -12.648 1.00 0.00 O ATOM 560 CB LYS A 31 -14.056 -14.692 -13.553 1.00 0.00 C ATOM 561 CG LYS A 31 -14.808 -13.836 -14.554 1.00 0.00 C ATOM 562 CD LYS A 31 -14.950 -12.403 -14.066 1.00 0.00 C ATOM 563 CE LYS A 31 -14.879 -11.411 -15.215 1.00 0.00 C ATOM 564 NZ LYS A 31 -15.578 -10.137 -14.892 1.00 0.00 N ATOM 0 H LYS A 31 -13.360 -14.292 -11.165 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.929 -14.780 -12.498 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.171 -14.151 -13.216 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.706 -15.597 -14.050 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.283 -13.846 -15.509 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.796 -14.262 -14.729 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.900 -12.288 -13.544 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.162 -12.183 -13.346 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.835 -11.203 -15.451 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.325 -11.854 -16.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.507 -9.487 -15.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.580 -10.332 -14.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.136 -9.701 -14.058 1.00 0.00 H new ATOM 578 N LEU A 32 -13.864 -17.054 -11.399 1.00 0.00 N ATOM 579 CA LEU A 32 -13.695 -18.473 -11.119 1.00 0.00 C ATOM 580 C LEU A 32 -14.520 -18.912 -9.906 1.00 0.00 C ATOM 581 O LEU A 32 -14.507 -20.086 -9.534 1.00 0.00 O ATOM 582 CB LEU A 32 -12.218 -18.775 -10.876 1.00 0.00 C ATOM 583 CG LEU A 32 -11.859 -20.261 -10.789 1.00 0.00 C ATOM 584 CD1 LEU A 32 -11.187 -20.726 -12.073 1.00 0.00 C ATOM 585 CD2 LEU A 32 -10.958 -20.524 -9.590 1.00 0.00 C ATOM 0 H LEU A 32 -13.152 -16.458 -10.977 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.051 -19.032 -11.984 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.635 -18.324 -11.679 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.913 -18.290 -9.949 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.780 -20.829 -10.659 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.940 -21.784 -11.991 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.865 -20.575 -12.913 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.275 -20.152 -12.235 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.713 -21.585 -9.545 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.041 -19.944 -9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.474 -20.231 -8.676 1.00 0.00 H new ATOM 597 N HIS A 33 -15.237 -17.972 -9.292 1.00 0.00 N ATOM 598 CA HIS A 33 -16.062 -18.284 -8.125 1.00 0.00 C ATOM 599 C HIS A 33 -17.549 -18.079 -8.426 1.00 0.00 C ATOM 600 O HIS A 33 -18.234 -17.332 -7.728 1.00 0.00 O ATOM 601 CB HIS A 33 -15.641 -17.421 -6.927 1.00 0.00 C ATOM 602 CG HIS A 33 -14.460 -17.970 -6.188 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.511 -18.355 -4.864 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.190 -18.205 -6.597 1.00 0.00 C ATOM 605 CE1 HIS A 33 -13.325 -18.803 -4.492 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.507 -18.722 -5.524 1.00 0.00 N ATOM 0 H HIS A 33 -15.264 -16.994 -9.580 1.00 0.00 H new ATOM 0 HA HIS A 33 -15.908 -19.334 -7.878 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.407 -16.416 -7.277 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.482 -17.331 -6.239 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -15.336 -18.302 -4.266 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.790 -18.020 -7.583 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.069 -19.173 -3.510 1.00 0.00 H new ATOM 615 N PRO A 34 -18.074 -18.751 -9.472 1.00 0.00 N ATOM 616 CA PRO A 34 -19.486 -18.642 -9.851 1.00 0.00 C ATOM 617 C PRO A 34 -20.401 -19.366 -8.871 1.00 0.00 C ATOM 618 O PRO A 34 -21.534 -18.948 -8.636 1.00 0.00 O ATOM 619 CB PRO A 34 -19.535 -19.318 -11.222 1.00 0.00 C ATOM 620 CG PRO A 34 -18.424 -20.307 -11.183 1.00 0.00 C ATOM 621 CD PRO A 34 -17.338 -19.671 -10.361 1.00 0.00 C ATOM 0 HA PRO A 34 -19.831 -17.608 -9.856 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -20.495 -19.805 -11.392 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.397 -18.596 -12.027 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.752 -21.246 -10.738 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -18.070 -20.537 -12.188 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -16.776 -20.414 -9.794 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -16.621 -19.138 -10.986 1.00 0.00 H new ATOM 629 N GLU A 35 -19.896 -20.452 -8.294 1.00 0.00 N ATOM 630 CA GLU A 35 -20.660 -21.232 -7.329 1.00 0.00 C ATOM 631 C GLU A 35 -20.299 -20.825 -5.905 1.00 0.00 C ATOM 632 O GLU A 35 -20.599 -21.537 -4.945 1.00 0.00 O ATOM 633 CB GLU A 35 -20.410 -22.729 -7.527 1.00 0.00 C ATOM 634 CG GLU A 35 -20.865 -23.246 -8.882 1.00 0.00 C ATOM 635 CD GLU A 35 -20.732 -24.751 -9.007 1.00 0.00 C ATOM 636 OE1 GLU A 35 -21.640 -25.467 -8.537 1.00 0.00 O ATOM 637 OE2 GLU A 35 -19.719 -25.214 -9.573 1.00 0.00 O ATOM 0 H GLU A 35 -18.960 -20.811 -8.479 1.00 0.00 H new ATOM 0 HA GLU A 35 -21.719 -21.031 -7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -19.345 -22.930 -7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.928 -23.282 -6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.905 -22.962 -9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.278 -22.767 -9.665 1.00 0.00 H new ATOM 644 N MET A 36 -19.660 -19.671 -5.784 1.00 0.00 N ATOM 645 CA MET A 36 -19.254 -19.143 -4.489 1.00 0.00 C ATOM 646 C MET A 36 -19.763 -17.710 -4.325 1.00 0.00 C ATOM 647 O MET A 36 -20.822 -17.363 -4.848 1.00 0.00 O ATOM 648 CB MET A 36 -17.727 -19.198 -4.347 1.00 0.00 C ATOM 649 CG MET A 36 -17.092 -20.418 -4.999 1.00 0.00 C ATOM 650 SD MET A 36 -15.931 -21.268 -3.911 1.00 0.00 S ATOM 651 CE MET A 36 -14.521 -21.462 -5.000 1.00 0.00 C ATOM 0 H MET A 36 -19.409 -19.077 -6.575 1.00 0.00 H new ATOM 0 HA MET A 36 -19.692 -19.757 -3.702 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.298 -18.298 -4.787 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.470 -19.189 -3.288 1.00 0.00 H new ATOM 0 HG2 MET A 36 -17.876 -21.113 -5.300 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.573 -20.110 -5.907 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.602 -21.298 -4.438 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.518 -22.470 -5.415 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.585 -20.736 -5.811 1.00 0.00 H new ATOM 661 N SER A 37 -19.019 -16.883 -3.597 1.00 0.00 N ATOM 662 CA SER A 37 -19.419 -15.498 -3.377 1.00 0.00 C ATOM 663 C SER A 37 -18.208 -14.577 -3.340 1.00 0.00 C ATOM 664 O SER A 37 -18.069 -13.674 -4.165 1.00 0.00 O ATOM 665 CB SER A 37 -20.190 -15.384 -2.061 1.00 0.00 C ATOM 666 OG SER A 37 -21.437 -16.051 -2.139 1.00 0.00 O ATOM 0 H SER A 37 -18.140 -17.146 -3.151 1.00 0.00 H new ATOM 0 HA SER A 37 -20.058 -15.193 -4.206 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.597 -15.809 -1.251 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.351 -14.333 -1.821 1.00 0.00 H new ATOM 0 HG SER A 37 -21.909 -15.964 -1.284 1.00 0.00 H new ATOM 672 N ASN A 38 -17.341 -14.816 -2.368 1.00 0.00 N ATOM 673 CA ASN A 38 -16.130 -14.021 -2.183 1.00 0.00 C ATOM 674 C ASN A 38 -15.381 -14.472 -0.933 1.00 0.00 C ATOM 675 O ASN A 38 -14.172 -14.294 -0.820 1.00 0.00 O ATOM 676 CB ASN A 38 -16.478 -12.533 -2.072 1.00 0.00 C ATOM 677 CG ASN A 38 -15.495 -11.651 -2.816 1.00 0.00 C ATOM 678 OD1 ASN A 38 -15.679 -11.353 -3.995 1.00 0.00 O ATOM 679 ND2 ASN A 38 -14.440 -11.229 -2.127 1.00 0.00 N ATOM 0 H ASN A 38 -17.454 -15.565 -1.685 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.488 -14.170 -3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.481 -12.367 -2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -16.497 -12.245 -1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.743 -10.634 -2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -14.327 -11.501 -1.150 1.00 0.00 H new ATOM 686 N LEU A 39 -16.116 -15.067 0.001 1.00 0.00 N ATOM 687 CA LEU A 39 -15.532 -15.555 1.242 1.00 0.00 C ATOM 688 C LEU A 39 -14.612 -16.737 0.960 1.00 0.00 C ATOM 689 O LEU A 39 -13.561 -16.883 1.582 1.00 0.00 O ATOM 690 CB LEU A 39 -16.643 -15.953 2.226 1.00 0.00 C ATOM 691 CG LEU A 39 -16.330 -17.142 3.141 1.00 0.00 C ATOM 692 CD1 LEU A 39 -15.129 -16.837 4.019 1.00 0.00 C ATOM 693 CD2 LEU A 39 -17.543 -17.489 3.993 1.00 0.00 C ATOM 0 H LEU A 39 -17.121 -15.223 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.940 -14.759 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -16.876 -15.090 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -17.542 -16.185 1.655 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.088 -18.004 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.922 -17.692 4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.261 -16.636 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.341 -15.963 4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.305 -18.335 4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -17.814 -16.630 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -18.380 -17.750 3.345 1.00 0.00 H new ATOM 705 N ASP A 40 -15.015 -17.574 0.010 1.00 0.00 N ATOM 706 CA ASP A 40 -14.225 -18.741 -0.360 1.00 0.00 C ATOM 707 C ASP A 40 -12.882 -18.317 -0.943 1.00 0.00 C ATOM 708 O ASP A 40 -11.826 -18.756 -0.485 1.00 0.00 O ATOM 709 CB ASP A 40 -14.986 -19.602 -1.369 1.00 0.00 C ATOM 710 CG ASP A 40 -15.854 -20.649 -0.696 1.00 0.00 C ATOM 711 OD1 ASP A 40 -15.349 -21.344 0.209 1.00 0.00 O ATOM 712 OD2 ASP A 40 -17.039 -20.768 -1.072 1.00 0.00 O ATOM 0 H ASP A 40 -15.882 -17.466 -0.516 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.044 -19.330 0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.611 -18.961 -1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.275 -20.095 -2.032 1.00 0.00 H new ATOM 717 N LEU A 41 -12.930 -17.460 -1.958 1.00 0.00 N ATOM 718 CA LEU A 41 -11.717 -16.974 -2.608 1.00 0.00 C ATOM 719 C LEU A 41 -10.799 -16.272 -1.611 1.00 0.00 C ATOM 720 O LEU A 41 -9.575 -16.352 -1.721 1.00 0.00 O ATOM 721 CB LEU A 41 -12.058 -16.017 -3.756 1.00 0.00 C ATOM 722 CG LEU A 41 -13.294 -15.136 -3.556 1.00 0.00 C ATOM 723 CD1 LEU A 41 -12.879 -13.690 -3.328 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.219 -15.244 -4.760 1.00 0.00 C ATOM 0 H LEU A 41 -13.796 -17.088 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.195 -17.841 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.199 -15.368 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.200 -16.606 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.833 -15.483 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.767 -13.074 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.250 -13.628 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.322 -13.331 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.094 -14.613 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.690 -14.917 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.536 -16.279 -4.883 1.00 0.00 H new ATOM 736 N THR A 42 -11.395 -15.581 -0.647 1.00 0.00 N ATOM 737 CA THR A 42 -10.627 -14.859 0.362 1.00 0.00 C ATOM 738 C THR A 42 -9.684 -15.795 1.112 1.00 0.00 C ATOM 739 O THR A 42 -8.553 -15.426 1.428 1.00 0.00 O ATOM 740 CB THR A 42 -11.572 -14.165 1.343 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.485 -13.329 0.654 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.858 -13.311 2.365 1.00 0.00 C ATOM 0 H THR A 42 -12.407 -15.505 -0.542 1.00 0.00 H new ATOM 0 HA THR A 42 -10.022 -14.107 -0.145 1.00 0.00 H new ATOM 0 HB THR A 42 -12.086 -14.973 1.863 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.264 -13.855 0.376 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.590 -12.849 3.028 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.180 -13.933 2.950 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.288 -12.534 1.856 1.00 0.00 H new ATOM 750 N LYS A 43 -10.150 -17.007 1.390 1.00 0.00 N ATOM 751 CA LYS A 43 -9.333 -17.990 2.095 1.00 0.00 C ATOM 752 C LYS A 43 -8.202 -18.472 1.200 1.00 0.00 C ATOM 753 O LYS A 43 -7.086 -18.715 1.660 1.00 0.00 O ATOM 754 CB LYS A 43 -10.182 -19.185 2.546 1.00 0.00 C ATOM 755 CG LYS A 43 -11.613 -18.827 2.914 1.00 0.00 C ATOM 756 CD LYS A 43 -11.666 -17.687 3.918 1.00 0.00 C ATOM 757 CE LYS A 43 -11.273 -18.155 5.310 1.00 0.00 C ATOM 758 NZ LYS A 43 -9.840 -17.877 5.605 1.00 0.00 N ATOM 0 H LYS A 43 -11.084 -17.332 1.140 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.913 -17.510 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.198 -19.927 1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.703 -19.653 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.161 -18.546 2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.112 -19.702 3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.997 -16.888 3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.672 -17.269 3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.899 -17.658 6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.461 -19.225 5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.731 -17.653 6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.269 -18.715 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.518 -17.069 5.034 1.00 0.00 H new ATOM 772 N ILE A 44 -8.502 -18.602 -0.088 1.00 0.00 N ATOM 773 CA ILE A 44 -7.518 -19.050 -1.064 1.00 0.00 C ATOM 774 C ILE A 44 -6.352 -18.072 -1.157 1.00 0.00 C ATOM 775 O ILE A 44 -5.194 -18.478 -1.248 1.00 0.00 O ATOM 776 CB ILE A 44 -8.145 -19.207 -2.463 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.365 -20.124 -2.408 1.00 0.00 C ATOM 778 CG2 ILE A 44 -7.118 -19.746 -3.449 1.00 0.00 C ATOM 779 CD1 ILE A 44 -10.260 -20.004 -3.623 1.00 0.00 C ATOM 0 H ILE A 44 -9.422 -18.402 -0.480 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.155 -20.019 -0.722 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.471 -18.224 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.030 -21.157 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.945 -19.893 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.577 -19.851 -4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.278 -19.055 -3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.763 -20.719 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.107 -20.682 -3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.623 -18.980 -3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.695 -20.264 -4.518 1.00 0.00 H new ATOM 791 N LEU A 45 -6.667 -16.782 -1.146 1.00 0.00 N ATOM 792 CA LEU A 45 -5.646 -15.745 -1.244 1.00 0.00 C ATOM 793 C LEU A 45 -4.988 -15.482 0.105 1.00 0.00 C ATOM 794 O LEU A 45 -3.834 -15.054 0.169 1.00 0.00 O ATOM 795 CB LEU A 45 -6.261 -14.462 -1.798 1.00 0.00 C ATOM 796 CG LEU A 45 -6.906 -14.612 -3.175 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.469 -13.286 -3.655 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.897 -15.161 -4.171 1.00 0.00 C ATOM 0 H LEU A 45 -7.621 -16.429 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.870 -16.094 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.013 -14.102 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.486 -13.698 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.733 -15.318 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.923 -13.418 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.223 -12.935 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.666 -12.552 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.369 -15.263 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.051 -14.478 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.546 -16.136 -3.834 1.00 0.00 H new ATOM 810 N SER A 46 -5.718 -15.746 1.182 1.00 0.00 N ATOM 811 CA SER A 46 -5.192 -15.542 2.526 1.00 0.00 C ATOM 812 C SER A 46 -4.411 -16.765 2.996 1.00 0.00 C ATOM 813 O SER A 46 -3.678 -16.705 3.984 1.00 0.00 O ATOM 814 CB SER A 46 -6.331 -15.240 3.504 1.00 0.00 C ATOM 815 OG SER A 46 -5.921 -15.438 4.846 1.00 0.00 O ATOM 0 H SER A 46 -6.674 -16.101 1.151 1.00 0.00 H new ATOM 0 HA SER A 46 -4.513 -14.689 2.498 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.665 -14.211 3.371 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.183 -15.882 3.283 1.00 0.00 H new ATOM 0 HG SER A 46 -5.004 -15.784 4.860 1.00 0.00 H new ATOM 821 N LYS A 47 -4.576 -17.875 2.284 1.00 0.00 N ATOM 822 CA LYS A 47 -3.897 -19.112 2.621 1.00 0.00 C ATOM 823 C LYS A 47 -2.672 -19.320 1.733 1.00 0.00 C ATOM 824 O LYS A 47 -1.654 -19.853 2.176 1.00 0.00 O ATOM 825 CB LYS A 47 -4.868 -20.278 2.464 1.00 0.00 C ATOM 826 CG LYS A 47 -4.223 -21.640 2.646 1.00 0.00 C ATOM 827 CD LYS A 47 -4.040 -22.353 1.316 1.00 0.00 C ATOM 828 CE LYS A 47 -3.894 -23.855 1.505 1.00 0.00 C ATOM 829 NZ LYS A 47 -2.479 -24.248 1.753 1.00 0.00 N ATOM 0 H LYS A 47 -5.180 -17.938 1.464 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.556 -19.058 3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.674 -20.168 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.322 -20.230 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.255 -21.523 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.840 -22.251 3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.894 -22.148 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.157 -21.961 0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.513 -24.177 2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.264 -24.370 0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.422 -25.279 1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.892 -23.963 0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.133 -23.777 2.613 1.00 0.00 H new ATOM 843 N LYS A 48 -2.780 -18.901 0.476 1.00 0.00 N ATOM 844 CA LYS A 48 -1.682 -19.046 -0.473 1.00 0.00 C ATOM 845 C LYS A 48 -0.597 -18.003 -0.220 1.00 0.00 C ATOM 846 O LYS A 48 0.588 -18.331 -0.163 1.00 0.00 O ATOM 847 CB LYS A 48 -2.199 -18.930 -1.909 1.00 0.00 C ATOM 848 CG LYS A 48 -2.710 -17.544 -2.266 1.00 0.00 C ATOM 849 CD LYS A 48 -3.541 -17.566 -3.540 1.00 0.00 C ATOM 850 CE LYS A 48 -2.741 -18.095 -4.720 1.00 0.00 C ATOM 851 NZ LYS A 48 -1.600 -17.202 -5.066 1.00 0.00 N ATOM 0 H LYS A 48 -3.615 -18.459 0.092 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.245 -20.035 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.398 -19.200 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.002 -19.652 -2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.312 -17.154 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.866 -16.866 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.423 -18.188 -3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.895 -16.559 -3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.364 -19.090 -4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.396 -18.198 -5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.426 -17.243 -6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.828 -16.225 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.748 -17.514 -4.557 1.00 0.00 H new ATOM 865 N TYR A 49 -1.007 -16.746 -0.071 1.00 0.00 N ATOM 866 CA TYR A 49 -0.071 -15.660 0.175 1.00 0.00 C ATOM 867 C TYR A 49 0.914 -16.016 1.286 1.00 0.00 C ATOM 868 O TYR A 49 2.095 -15.676 1.213 1.00 0.00 O ATOM 869 CB TYR A 49 -0.829 -14.391 0.542 1.00 0.00 C ATOM 870 CG TYR A 49 0.057 -13.177 0.620 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.453 -12.519 -0.532 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.508 -12.702 1.841 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.277 -11.411 -0.472 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.332 -11.596 1.914 1.00 0.00 C ATOM 875 CZ TYR A 49 1.714 -10.954 0.754 1.00 0.00 C ATOM 876 OH TYR A 49 2.536 -9.854 0.822 1.00 0.00 O ATOM 0 H TYR A 49 -1.984 -16.457 -0.117 1.00 0.00 H new ATOM 0 HA TYR A 49 0.497 -15.492 -0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.611 -14.216 -0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.324 -14.535 1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.113 -12.877 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.211 -13.204 2.750 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.577 -10.906 -1.379 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.675 -11.236 2.873 1.00 0.00 H new ATOM 0 HH TYR A 49 3.193 -9.891 0.095 1.00 0.00 H new ATOM 886 N LYS A 50 0.423 -16.702 2.314 1.00 0.00 N ATOM 887 CA LYS A 50 1.259 -17.102 3.435 1.00 0.00 C ATOM 888 C LYS A 50 2.159 -18.269 3.035 1.00 0.00 C ATOM 889 O LYS A 50 3.347 -18.289 3.360 1.00 0.00 O ATOM 890 CB LYS A 50 0.366 -17.454 4.639 1.00 0.00 C ATOM 891 CG LYS A 50 0.784 -18.688 5.430 1.00 0.00 C ATOM 892 CD LYS A 50 1.338 -18.313 6.796 1.00 0.00 C ATOM 893 CE LYS A 50 2.653 -17.559 6.677 1.00 0.00 C ATOM 894 NZ LYS A 50 3.549 -17.813 7.837 1.00 0.00 N ATOM 0 H LYS A 50 -0.552 -16.992 2.391 1.00 0.00 H new ATOM 0 HA LYS A 50 1.909 -16.276 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.346 -16.600 5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.653 -17.601 4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.073 -19.350 5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.537 -19.242 4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.612 -17.698 7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.487 -19.215 7.389 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.158 -17.854 5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.452 -16.490 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.434 -17.280 7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.078 -17.508 8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.762 -18.829 7.895 1.00 0.00 H new ATOM 908 N GLU A 51 1.587 -19.237 2.325 1.00 0.00 N ATOM 909 CA GLU A 51 2.339 -20.403 1.876 1.00 0.00 C ATOM 910 C GLU A 51 3.503 -19.994 0.977 1.00 0.00 C ATOM 911 O GLU A 51 4.449 -20.758 0.786 1.00 0.00 O ATOM 912 CB GLU A 51 1.419 -21.370 1.127 1.00 0.00 C ATOM 913 CG GLU A 51 1.805 -22.831 1.294 1.00 0.00 C ATOM 914 CD GLU A 51 1.097 -23.737 0.307 1.00 0.00 C ATOM 915 OE1 GLU A 51 1.045 -23.386 -0.891 1.00 0.00 O ATOM 916 OE2 GLU A 51 0.593 -24.799 0.730 1.00 0.00 O ATOM 0 H GLU A 51 0.605 -19.237 2.048 1.00 0.00 H new ATOM 0 HA GLU A 51 2.744 -20.901 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.397 -21.231 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.429 -21.119 0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.883 -22.935 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.570 -23.151 2.309 1.00 0.00 H new ATOM 923 N LEU A 52 3.427 -18.785 0.423 1.00 0.00 N ATOM 924 CA LEU A 52 4.472 -18.270 -0.459 1.00 0.00 C ATOM 925 C LEU A 52 5.864 -18.501 0.127 1.00 0.00 C ATOM 926 O LEU A 52 6.127 -18.158 1.280 1.00 0.00 O ATOM 927 CB LEU A 52 4.258 -16.777 -0.713 1.00 0.00 C ATOM 928 CG LEU A 52 3.168 -16.445 -1.734 1.00 0.00 C ATOM 929 CD1 LEU A 52 2.964 -14.941 -1.826 1.00 0.00 C ATOM 930 CD2 LEU A 52 3.523 -17.021 -3.095 1.00 0.00 C ATOM 0 H LEU A 52 2.649 -18.142 0.570 1.00 0.00 H new ATOM 0 HA LEU A 52 4.408 -18.813 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.008 -16.295 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.198 -16.343 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 52 2.234 -16.897 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.185 -14.723 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.666 -14.554 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.895 -14.466 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.738 -16.776 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.468 -16.597 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.619 -18.104 -3.018 1.00 0.00 H new ATOM 942 N PRO A 53 6.780 -19.086 -0.667 1.00 0.00 N ATOM 943 CA PRO A 53 8.156 -19.362 -0.228 1.00 0.00 C ATOM 944 C PRO A 53 8.976 -18.100 0.014 1.00 0.00 C ATOM 945 O PRO A 53 10.204 -18.123 -0.069 1.00 0.00 O ATOM 946 CB PRO A 53 8.771 -20.123 -1.396 1.00 0.00 C ATOM 947 CG PRO A 53 7.914 -19.819 -2.576 1.00 0.00 C ATOM 948 CD PRO A 53 6.541 -19.528 -2.052 1.00 0.00 C ATOM 0 HA PRO A 53 8.150 -19.901 0.719 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.800 -19.808 -1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.795 -21.194 -1.196 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.306 -18.965 -3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.893 -20.662 -3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.044 -18.755 -2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.904 -20.412 -2.086 1.00 0.00 H new ATOM 956 N GLU A 54 8.296 -17.002 0.286 1.00 0.00 N ATOM 957 CA GLU A 54 8.955 -15.720 0.514 1.00 0.00 C ATOM 958 C GLU A 54 9.825 -15.336 -0.681 1.00 0.00 C ATOM 959 O GLU A 54 10.622 -14.402 -0.597 1.00 0.00 O ATOM 960 CB GLU A 54 9.805 -15.730 1.798 1.00 0.00 C ATOM 961 CG GLU A 54 9.834 -17.060 2.534 1.00 0.00 C ATOM 962 CD GLU A 54 10.201 -16.909 3.998 1.00 0.00 C ATOM 963 OE1 GLU A 54 9.765 -15.916 4.619 1.00 0.00 O ATOM 964 OE2 GLU A 54 10.925 -17.780 4.522 1.00 0.00 O ATOM 0 H GLU A 54 7.279 -16.968 0.356 1.00 0.00 H new ATOM 0 HA GLU A 54 8.168 -14.976 0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.827 -15.450 1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.425 -14.965 2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.856 -17.536 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.551 -17.723 2.050 1.00 0.00 H new ATOM 971 N LYS A 55 9.671 -16.050 -1.798 1.00 0.00 N ATOM 972 CA LYS A 55 10.452 -15.755 -2.990 1.00 0.00 C ATOM 973 C LYS A 55 9.735 -14.730 -3.867 1.00 0.00 C ATOM 974 O LYS A 55 10.367 -13.974 -4.603 1.00 0.00 O ATOM 975 CB LYS A 55 10.728 -17.037 -3.784 1.00 0.00 C ATOM 976 CG LYS A 55 9.553 -17.511 -4.624 1.00 0.00 C ATOM 977 CD LYS A 55 9.628 -16.969 -6.042 1.00 0.00 C ATOM 978 CE LYS A 55 8.691 -17.720 -6.976 1.00 0.00 C ATOM 979 NZ LYS A 55 9.194 -19.089 -7.280 1.00 0.00 N ATOM 0 H LYS A 55 9.019 -16.828 -1.897 1.00 0.00 H new ATOM 0 HA LYS A 55 11.405 -15.330 -2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.584 -16.870 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.007 -17.829 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.539 -18.601 -4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.620 -17.191 -4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.371 -15.910 -6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.651 -17.049 -6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.703 -17.788 -6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.577 -17.160 -7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.670 -19.479 -8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.207 -19.043 -7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.056 -19.701 -6.451 1.00 0.00 H new ATOM 993 N LYS A 56 8.407 -14.712 -3.778 1.00 0.00 N ATOM 994 CA LYS A 56 7.598 -13.782 -4.560 1.00 0.00 C ATOM 995 C LYS A 56 7.315 -12.511 -3.765 1.00 0.00 C ATOM 996 O LYS A 56 7.299 -11.412 -4.318 1.00 0.00 O ATOM 997 CB LYS A 56 6.279 -14.440 -4.970 1.00 0.00 C ATOM 998 CG LYS A 56 6.448 -15.817 -5.592 1.00 0.00 C ATOM 999 CD LYS A 56 5.187 -16.255 -6.321 1.00 0.00 C ATOM 1000 CE LYS A 56 5.024 -15.518 -7.640 1.00 0.00 C ATOM 1001 NZ LYS A 56 3.623 -15.572 -8.138 1.00 0.00 N ATOM 0 H LYS A 56 7.869 -15.331 -3.172 1.00 0.00 H new ATOM 0 HA LYS A 56 8.159 -13.516 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.637 -14.524 -4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.765 -13.791 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.286 -15.803 -6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.691 -16.542 -4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.226 -17.329 -6.505 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.318 -16.071 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.324 -14.478 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.691 -15.954 -8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.555 -15.058 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.344 -16.563 -8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.989 -15.133 -7.440 1.00 0.00 H new ATOM 1015 N LYS A 57 7.092 -12.670 -2.463 1.00 0.00 N ATOM 1016 CA LYS A 57 6.813 -11.535 -1.590 1.00 0.00 C ATOM 1017 C LYS A 57 7.940 -10.516 -1.658 1.00 0.00 C ATOM 1018 O LYS A 57 7.701 -9.319 -1.806 1.00 0.00 O ATOM 1019 CB LYS A 57 6.619 -12.007 -0.152 1.00 0.00 C ATOM 1020 CG LYS A 57 5.546 -13.068 -0.013 1.00 0.00 C ATOM 1021 CD LYS A 57 5.913 -14.101 1.042 1.00 0.00 C ATOM 1022 CE LYS A 57 4.839 -14.215 2.111 1.00 0.00 C ATOM 1023 NZ LYS A 57 5.384 -14.739 3.394 1.00 0.00 N ATOM 0 H LYS A 57 7.099 -13.574 -1.990 1.00 0.00 H new ATOM 0 HA LYS A 57 5.894 -11.059 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.563 -12.402 0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.359 -11.152 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.600 -12.597 0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.397 -13.564 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.059 -15.071 0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.861 -13.828 1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.390 -13.236 2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.045 -14.873 1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.619 -14.801 4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.790 -15.684 3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.124 -14.098 3.744 1.00 0.00 H new ATOM 1037 N MET A 58 9.175 -11.007 -1.571 1.00 0.00 N ATOM 1038 CA MET A 58 10.347 -10.144 -1.646 1.00 0.00 C ATOM 1039 C MET A 58 10.218 -9.177 -2.818 1.00 0.00 C ATOM 1040 O MET A 58 10.777 -8.082 -2.804 1.00 0.00 O ATOM 1041 CB MET A 58 11.608 -10.990 -1.805 1.00 0.00 C ATOM 1042 CG MET A 58 12.177 -11.495 -0.487 1.00 0.00 C ATOM 1043 SD MET A 58 13.685 -10.634 -0.002 1.00 0.00 S ATOM 1044 CE MET A 58 13.045 -9.496 1.225 1.00 0.00 C ATOM 0 H MET A 58 9.387 -11.997 -1.449 1.00 0.00 H new ATOM 0 HA MET A 58 10.418 -9.568 -0.723 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.384 -11.844 -2.444 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.368 -10.400 -2.316 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.428 -11.376 0.296 1.00 0.00 H new ATOM 0 HG3 MET A 58 12.384 -12.562 -0.571 1.00 0.00 H new ATOM 0 HE1 MET A 58 13.861 -8.891 1.620 1.00 0.00 H new ATOM 0 HE2 MET A 58 12.301 -8.846 0.765 1.00 0.00 H new ATOM 0 HE3 MET A 58 12.584 -10.058 2.037 1.00 0.00 H new ATOM 1054 N LYS A 59 9.464 -9.599 -3.828 1.00 0.00 N ATOM 1055 CA LYS A 59 9.235 -8.789 -5.012 1.00 0.00 C ATOM 1056 C LYS A 59 8.131 -7.769 -4.752 1.00 0.00 C ATOM 1057 O LYS A 59 8.265 -6.593 -5.081 1.00 0.00 O ATOM 1058 CB LYS A 59 8.868 -9.693 -6.193 1.00 0.00 C ATOM 1059 CG LYS A 59 7.483 -9.441 -6.775 1.00 0.00 C ATOM 1060 CD LYS A 59 7.221 -10.313 -7.993 1.00 0.00 C ATOM 1061 CE LYS A 59 6.578 -9.519 -9.120 1.00 0.00 C ATOM 1062 NZ LYS A 59 7.125 -9.900 -10.452 1.00 0.00 N ATOM 0 H LYS A 59 8.999 -10.507 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 59 10.148 -8.246 -5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.609 -9.559 -6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.929 -10.733 -5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.727 -9.639 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.389 -8.391 -7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.159 -10.745 -8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.571 -11.143 -7.715 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.500 -9.683 -9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.740 -8.454 -8.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.661 -9.336 -11.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.149 -9.720 -10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.948 -10.910 -10.624 1.00 0.00 H new ATOM 1076 N TYR A 60 7.037 -8.234 -4.163 1.00 0.00 N ATOM 1077 CA TYR A 60 5.911 -7.360 -3.862 1.00 0.00 C ATOM 1078 C TYR A 60 6.296 -6.301 -2.840 1.00 0.00 C ATOM 1079 O TYR A 60 6.049 -5.114 -3.042 1.00 0.00 O ATOM 1080 CB TYR A 60 4.741 -8.160 -3.312 1.00 0.00 C ATOM 1081 CG TYR A 60 4.299 -9.301 -4.192 1.00 0.00 C ATOM 1082 CD1 TYR A 60 4.135 -9.130 -5.559 1.00 0.00 C ATOM 1083 CD2 TYR A 60 4.037 -10.548 -3.647 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.722 -10.176 -6.360 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.625 -11.597 -4.439 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.469 -11.408 -5.797 1.00 0.00 C ATOM 1087 OH TYR A 60 3.058 -12.454 -6.592 1.00 0.00 O ATOM 0 H TYR A 60 6.906 -9.207 -3.885 1.00 0.00 H new ATOM 0 HA TYR A 60 5.622 -6.875 -4.794 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.015 -8.556 -2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.897 -7.488 -3.158 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.333 -8.165 -6.003 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.158 -10.700 -2.585 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.598 -10.029 -7.423 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.425 -12.563 -3.999 1.00 0.00 H new ATOM 0 HH TYR A 60 2.099 -12.607 -6.461 1.00 0.00 H new ATOM 1097 N ILE A 61 6.892 -6.739 -1.733 1.00 0.00 N ATOM 1098 CA ILE A 61 7.292 -5.813 -0.683 1.00 0.00 C ATOM 1099 C ILE A 61 8.302 -4.804 -1.215 1.00 0.00 C ATOM 1100 O ILE A 61 8.247 -3.623 -0.877 1.00 0.00 O ATOM 1101 CB ILE A 61 7.881 -6.535 0.548 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.804 -7.370 1.246 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.466 -5.521 1.522 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.544 -8.710 0.595 1.00 0.00 C ATOM 0 H ILE A 61 7.106 -7.718 -1.543 1.00 0.00 H new ATOM 0 HA ILE A 61 6.388 -5.295 -0.362 1.00 0.00 H new ATOM 0 HB ILE A 61 8.675 -7.201 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.100 -7.533 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.874 -6.801 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.878 -6.042 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.256 -4.956 1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.683 -4.838 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.769 -9.239 1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.215 -8.557 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.460 -9.300 0.599 1.00 0.00 H new ATOM 1116 N GLN A 62 9.207 -5.271 -2.067 1.00 0.00 N ATOM 1117 CA GLN A 62 10.203 -4.394 -2.659 1.00 0.00 C ATOM 1118 C GLN A 62 9.526 -3.472 -3.657 1.00 0.00 C ATOM 1119 O GLN A 62 9.972 -2.350 -3.900 1.00 0.00 O ATOM 1120 CB GLN A 62 11.314 -5.205 -3.338 1.00 0.00 C ATOM 1121 CG GLN A 62 10.972 -5.722 -4.729 1.00 0.00 C ATOM 1122 CD GLN A 62 11.909 -5.190 -5.795 1.00 0.00 C ATOM 1123 OE1 GLN A 62 11.707 -4.100 -6.330 1.00 0.00 O ATOM 1124 NE2 GLN A 62 12.943 -5.961 -6.112 1.00 0.00 N ATOM 0 H GLN A 62 9.270 -6.246 -2.360 1.00 0.00 H new ATOM 0 HA GLN A 62 10.665 -3.798 -1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.207 -4.584 -3.407 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.564 -6.054 -2.702 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.011 -6.811 -4.727 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.949 -5.440 -4.976 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.073 -6.858 -5.644 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.607 -5.656 -6.824 1.00 0.00 H new ATOM 1133 N ASP A 63 8.426 -3.960 -4.214 1.00 0.00 N ATOM 1134 CA ASP A 63 7.649 -3.196 -5.174 1.00 0.00 C ATOM 1135 C ASP A 63 6.695 -2.259 -4.443 1.00 0.00 C ATOM 1136 O ASP A 63 6.248 -1.251 -4.990 1.00 0.00 O ATOM 1137 CB ASP A 63 6.866 -4.133 -6.095 1.00 0.00 C ATOM 1138 CG ASP A 63 7.610 -4.439 -7.380 1.00 0.00 C ATOM 1139 OD1 ASP A 63 8.699 -5.047 -7.305 1.00 0.00 O ATOM 1140 OD2 ASP A 63 7.105 -4.071 -8.461 1.00 0.00 O ATOM 0 H ASP A 63 8.052 -4.888 -4.014 1.00 0.00 H new ATOM 0 HA ASP A 63 8.331 -2.603 -5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.658 -5.065 -5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.904 -3.681 -6.335 1.00 0.00 H new ATOM 1145 N PHE A 64 6.396 -2.605 -3.193 1.00 0.00 N ATOM 1146 CA PHE A 64 5.504 -1.814 -2.360 1.00 0.00 C ATOM 1147 C PHE A 64 6.279 -0.696 -1.665 1.00 0.00 C ATOM 1148 O PHE A 64 5.806 0.436 -1.566 1.00 0.00 O ATOM 1149 CB PHE A 64 4.827 -2.730 -1.328 1.00 0.00 C ATOM 1150 CG PHE A 64 4.804 -2.179 0.068 1.00 0.00 C ATOM 1151 CD1 PHE A 64 3.769 -1.360 0.487 1.00 0.00 C ATOM 1152 CD2 PHE A 64 5.821 -2.478 0.957 1.00 0.00 C ATOM 1153 CE1 PHE A 64 3.748 -0.851 1.770 1.00 0.00 C ATOM 1154 CE2 PHE A 64 5.807 -1.971 2.242 1.00 0.00 C ATOM 1155 CZ PHE A 64 4.769 -1.156 2.650 1.00 0.00 C ATOM 0 H PHE A 64 6.765 -3.438 -2.734 1.00 0.00 H new ATOM 0 HA PHE A 64 4.738 -1.354 -2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.803 -2.922 -1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.343 -3.690 -1.318 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.970 -1.117 -0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.635 -3.115 0.643 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.934 -0.215 2.086 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.607 -2.212 2.927 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.755 -0.758 3.654 1.00 0.00 H new ATOM 1165 N GLN A 65 7.468 -1.032 -1.177 1.00 0.00 N ATOM 1166 CA GLN A 65 8.314 -0.072 -0.480 1.00 0.00 C ATOM 1167 C GLN A 65 8.824 1.014 -1.423 1.00 0.00 C ATOM 1168 O GLN A 65 8.766 2.202 -1.106 1.00 0.00 O ATOM 1169 CB GLN A 65 9.495 -0.791 0.173 1.00 0.00 C ATOM 1170 CG GLN A 65 10.404 -1.490 -0.823 1.00 0.00 C ATOM 1171 CD GLN A 65 11.527 -2.256 -0.150 1.00 0.00 C ATOM 1172 OE1 GLN A 65 12.698 -2.085 -0.487 1.00 0.00 O ATOM 1173 NE2 GLN A 65 11.173 -3.105 0.807 1.00 0.00 N ATOM 0 H GLN A 65 7.869 -1.967 -1.252 1.00 0.00 H new ATOM 0 HA GLN A 65 7.709 0.408 0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.080 -0.069 0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.115 -1.525 0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.813 -2.177 -1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.829 -0.751 -1.502 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.189 -3.214 1.053 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.885 -3.648 1.296 1.00 0.00 H new ATOM 1182 N ARG A 66 9.331 0.601 -2.581 1.00 0.00 N ATOM 1183 CA ARG A 66 9.856 1.543 -3.563 1.00 0.00 C ATOM 1184 C ARG A 66 8.801 2.572 -3.958 1.00 0.00 C ATOM 1185 O ARG A 66 9.128 3.696 -4.341 1.00 0.00 O ATOM 1186 CB ARG A 66 10.351 0.797 -4.805 1.00 0.00 C ATOM 1187 CG ARG A 66 9.242 0.119 -5.596 1.00 0.00 C ATOM 1188 CD ARG A 66 9.257 0.541 -7.056 1.00 0.00 C ATOM 1189 NE ARG A 66 7.924 0.498 -7.654 1.00 0.00 N ATOM 1190 CZ ARG A 66 7.671 0.799 -8.925 1.00 0.00 C ATOM 1191 NH1 ARG A 66 8.656 1.161 -9.737 1.00 0.00 N ATOM 1192 NH2 ARG A 66 6.430 0.734 -9.387 1.00 0.00 N ATOM 0 H ARG A 66 9.389 -0.378 -2.862 1.00 0.00 H new ATOM 0 HA ARG A 66 10.694 2.071 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.872 1.499 -5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.079 0.045 -4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.355 -0.963 -5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.276 0.367 -5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.658 1.551 -7.137 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.926 -0.113 -7.615 1.00 0.00 H new ATOM 0 HE ARG A 66 7.141 0.221 -7.062 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.613 1.210 -9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.456 1.391 -10.711 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.669 0.453 -8.768 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.236 0.965 -10.361 1.00 0.00 H new ATOM 1206 N GLU A 67 7.534 2.184 -3.860 1.00 0.00 N ATOM 1207 CA GLU A 67 6.432 3.073 -4.206 1.00 0.00 C ATOM 1208 C GLU A 67 6.155 4.063 -3.079 1.00 0.00 C ATOM 1209 O GLU A 67 6.046 5.267 -3.308 1.00 0.00 O ATOM 1210 CB GLU A 67 5.170 2.263 -4.511 1.00 0.00 C ATOM 1211 CG GLU A 67 5.127 1.714 -5.926 1.00 0.00 C ATOM 1212 CD GLU A 67 4.183 2.489 -6.824 1.00 0.00 C ATOM 1213 OE1 GLU A 67 2.984 2.138 -6.868 1.00 0.00 O ATOM 1214 OE2 GLU A 67 4.641 3.446 -7.481 1.00 0.00 O ATOM 0 H GLU A 67 7.245 1.258 -3.543 1.00 0.00 H new ATOM 0 HA GLU A 67 6.718 3.634 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.101 1.434 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.296 2.893 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.130 1.739 -6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.819 0.669 -5.897 1.00 0.00 H new ATOM 1221 N LYS A 68 6.038 3.547 -1.858 1.00 0.00 N ATOM 1222 CA LYS A 68 5.770 4.386 -0.694 1.00 0.00 C ATOM 1223 C LYS A 68 6.875 5.411 -0.477 1.00 0.00 C ATOM 1224 O LYS A 68 6.679 6.411 0.215 1.00 0.00 O ATOM 1225 CB LYS A 68 5.604 3.521 0.558 1.00 0.00 C ATOM 1226 CG LYS A 68 4.183 3.501 1.096 1.00 0.00 C ATOM 1227 CD LYS A 68 4.152 3.210 2.586 1.00 0.00 C ATOM 1228 CE LYS A 68 2.752 2.852 3.053 1.00 0.00 C ATOM 1229 NZ LYS A 68 2.509 3.267 4.463 1.00 0.00 N ATOM 0 H LYS A 68 6.125 2.552 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 68 4.842 4.927 -0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.912 2.501 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.273 3.889 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.707 4.462 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.603 2.746 0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.833 2.390 2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.509 4.081 3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.020 3.331 2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.604 1.776 2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.502 3.144 4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.084 2.681 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.771 4.266 4.581 1.00 0.00 H new ATOM 1243 N GLN A 69 8.035 5.157 -1.063 1.00 0.00 N ATOM 1244 CA GLN A 69 9.170 6.054 -0.928 1.00 0.00 C ATOM 1245 C GLN A 69 9.028 7.262 -1.849 1.00 0.00 C ATOM 1246 O GLN A 69 9.510 8.351 -1.538 1.00 0.00 O ATOM 1247 CB GLN A 69 10.458 5.301 -1.242 1.00 0.00 C ATOM 1248 CG GLN A 69 11.622 5.677 -0.339 1.00 0.00 C ATOM 1249 CD GLN A 69 12.179 7.051 -0.650 1.00 0.00 C ATOM 1250 OE1 GLN A 69 11.905 8.020 0.058 1.00 0.00 O ATOM 1251 NE2 GLN A 69 12.965 7.143 -1.716 1.00 0.00 N ATOM 0 H GLN A 69 8.214 4.334 -1.638 1.00 0.00 H new ATOM 0 HA GLN A 69 9.204 6.418 0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.273 4.230 -1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.737 5.493 -2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.295 5.648 0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.414 4.935 -0.445 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.166 6.314 -2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 69 13.368 8.043 -1.976 1.00 0.00 H new ATOM 1260 N GLU A 70 8.368 7.061 -2.984 1.00 0.00 N ATOM 1261 CA GLU A 70 8.167 8.134 -3.953 1.00 0.00 C ATOM 1262 C GLU A 70 6.767 8.732 -3.836 1.00 0.00 C ATOM 1263 O GLU A 70 6.576 9.933 -4.028 1.00 0.00 O ATOM 1264 CB GLU A 70 8.395 7.615 -5.373 1.00 0.00 C ATOM 1265 CG GLU A 70 9.110 8.606 -6.275 1.00 0.00 C ATOM 1266 CD GLU A 70 8.542 8.630 -7.680 1.00 0.00 C ATOM 1267 OE1 GLU A 70 7.355 8.985 -7.834 1.00 0.00 O ATOM 1268 OE2 GLU A 70 9.284 8.294 -8.627 1.00 0.00 O ATOM 0 H GLU A 70 7.963 6.165 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 70 8.891 8.919 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.977 6.694 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.432 7.361 -5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.039 9.603 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.169 8.353 -6.320 1.00 0.00 H new ATOM 1275 N PHE A 71 5.790 7.886 -3.525 1.00 0.00 N ATOM 1276 CA PHE A 71 4.404 8.331 -3.390 1.00 0.00 C ATOM 1277 C PHE A 71 4.276 9.436 -2.343 1.00 0.00 C ATOM 1278 O PHE A 71 3.488 10.367 -2.506 1.00 0.00 O ATOM 1279 CB PHE A 71 3.500 7.151 -3.019 1.00 0.00 C ATOM 1280 CG PHE A 71 2.414 6.886 -4.021 1.00 0.00 C ATOM 1281 CD1 PHE A 71 1.708 7.932 -4.593 1.00 0.00 C ATOM 1282 CD2 PHE A 71 2.095 5.587 -4.393 1.00 0.00 C ATOM 1283 CE1 PHE A 71 0.708 7.692 -5.517 1.00 0.00 C ATOM 1284 CE2 PHE A 71 1.096 5.341 -5.314 1.00 0.00 C ATOM 1285 CZ PHE A 71 0.402 6.395 -5.877 1.00 0.00 C ATOM 0 H PHE A 71 5.930 6.889 -3.362 1.00 0.00 H new ATOM 0 HA PHE A 71 4.088 8.735 -4.352 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.112 6.255 -2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.046 7.344 -2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.942 8.949 -4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.635 4.759 -3.957 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.167 8.517 -5.956 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.857 4.326 -5.594 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.379 6.204 -6.598 1.00 0.00 H new ATOM 1295 N GLU A 72 5.045 9.319 -1.267 1.00 0.00 N ATOM 1296 CA GLU A 72 5.006 10.306 -0.192 1.00 0.00 C ATOM 1297 C GLU A 72 6.168 11.295 -0.288 1.00 0.00 C ATOM 1298 O GLU A 72 6.294 12.193 0.544 1.00 0.00 O ATOM 1299 CB GLU A 72 5.038 9.605 1.166 1.00 0.00 C ATOM 1300 CG GLU A 72 3.882 8.639 1.377 1.00 0.00 C ATOM 1301 CD GLU A 72 3.420 8.590 2.821 1.00 0.00 C ATOM 1302 OE1 GLU A 72 2.735 9.537 3.257 1.00 0.00 O ATOM 1303 OE2 GLU A 72 3.745 7.602 3.514 1.00 0.00 O ATOM 0 H GLU A 72 5.702 8.553 -1.115 1.00 0.00 H new ATOM 0 HA GLU A 72 4.077 10.867 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.978 9.062 1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.021 10.357 1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.047 8.933 0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.185 7.641 1.062 1.00 0.00 H new ATOM 1310 N ARG A 73 7.019 11.129 -1.297 1.00 0.00 N ATOM 1311 CA ARG A 73 8.164 12.015 -1.477 1.00 0.00 C ATOM 1312 C ARG A 73 7.717 13.413 -1.916 1.00 0.00 C ATOM 1313 O ARG A 73 7.447 14.273 -1.077 1.00 0.00 O ATOM 1314 CB ARG A 73 9.147 11.415 -2.490 1.00 0.00 C ATOM 1315 CG ARG A 73 10.324 12.323 -2.811 1.00 0.00 C ATOM 1316 CD ARG A 73 11.649 11.588 -2.683 1.00 0.00 C ATOM 1317 NE ARG A 73 12.755 12.499 -2.396 1.00 0.00 N ATOM 1318 CZ ARG A 73 13.922 12.109 -1.886 1.00 0.00 C ATOM 1319 NH1 ARG A 73 14.139 10.830 -1.607 1.00 0.00 N ATOM 1320 NH2 ARG A 73 14.875 13.002 -1.655 1.00 0.00 N ATOM 0 H ARG A 73 6.938 10.393 -1.999 1.00 0.00 H new ATOM 0 HA ARG A 73 8.672 12.115 -0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.525 10.470 -2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.612 11.189 -3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.219 12.711 -3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.317 13.181 -2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.576 10.845 -1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.855 11.048 -3.607 1.00 0.00 H new ATOM 0 HE ARG A 73 12.626 13.490 -2.598 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.410 10.139 -1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.035 10.538 -1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.714 13.986 -1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.769 12.704 -1.264 1.00 0.00 H new ATOM 1334 N ASN A 74 7.643 13.639 -3.226 1.00 0.00 N ATOM 1335 CA ASN A 74 7.232 14.936 -3.755 1.00 0.00 C ATOM 1336 C ASN A 74 5.768 14.919 -4.188 1.00 0.00 C ATOM 1337 O ASN A 74 5.119 15.962 -4.247 1.00 0.00 O ATOM 1338 CB ASN A 74 8.119 15.332 -4.936 1.00 0.00 C ATOM 1339 CG ASN A 74 9.350 16.103 -4.500 1.00 0.00 C ATOM 1340 OD1 ASN A 74 9.709 17.115 -5.104 1.00 0.00 O ATOM 1341 ND2 ASN A 74 10.004 15.629 -3.448 1.00 0.00 N ATOM 0 H ASN A 74 7.862 12.942 -3.938 1.00 0.00 H new ATOM 0 HA ASN A 74 7.344 15.672 -2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.427 14.435 -5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.542 15.939 -5.634 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.840 16.106 -3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.671 14.787 -2.977 1.00 0.00 H new ATOM 1348 N LEU A 75 5.254 13.730 -4.493 1.00 0.00 N ATOM 1349 CA LEU A 75 3.867 13.582 -4.925 1.00 0.00 C ATOM 1350 C LEU A 75 2.908 14.277 -3.961 1.00 0.00 C ATOM 1351 O LEU A 75 2.229 15.234 -4.329 1.00 0.00 O ATOM 1352 CB LEU A 75 3.505 12.100 -5.041 1.00 0.00 C ATOM 1353 CG LEU A 75 3.793 11.465 -6.403 1.00 0.00 C ATOM 1354 CD1 LEU A 75 5.215 10.927 -6.451 1.00 0.00 C ATOM 1355 CD2 LEU A 75 2.790 10.359 -6.697 1.00 0.00 C ATOM 0 H LEU A 75 5.777 12.855 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 75 3.769 14.055 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.052 11.548 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.444 11.983 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 75 3.692 12.232 -7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.402 10.479 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.919 11.743 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.345 10.173 -5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.009 9.918 -7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.859 9.591 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.782 10.775 -6.706 1.00 0.00 H new ATOM 1367 N ALA A 76 2.860 13.787 -2.727 1.00 0.00 N ATOM 1368 CA ALA A 76 1.984 14.358 -1.711 1.00 0.00 C ATOM 1369 C ALA A 76 2.309 15.829 -1.455 1.00 0.00 C ATOM 1370 O ALA A 76 1.486 16.569 -0.919 1.00 0.00 O ATOM 1371 CB ALA A 76 2.091 13.563 -0.417 1.00 0.00 C ATOM 0 H ALA A 76 3.418 12.995 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 76 0.961 14.301 -2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.432 13.999 0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.798 12.529 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.119 13.591 -0.057 1.00 0.00 H new ATOM 1377 N ARG A 77 3.513 16.246 -1.837 1.00 0.00 N ATOM 1378 CA ARG A 77 3.941 17.628 -1.643 1.00 0.00 C ATOM 1379 C ARG A 77 3.810 18.445 -2.931 1.00 0.00 C ATOM 1380 O ARG A 77 4.146 19.629 -2.955 1.00 0.00 O ATOM 1381 CB ARG A 77 5.389 17.666 -1.148 1.00 0.00 C ATOM 1382 CG ARG A 77 5.609 18.630 0.007 1.00 0.00 C ATOM 1383 CD ARG A 77 5.350 17.961 1.347 1.00 0.00 C ATOM 1384 NE ARG A 77 4.739 18.877 2.308 1.00 0.00 N ATOM 1385 CZ ARG A 77 4.303 18.509 3.510 1.00 0.00 C ATOM 1386 NH1 ARG A 77 4.406 17.244 3.902 1.00 0.00 N ATOM 1387 NH2 ARG A 77 3.762 19.406 4.323 1.00 0.00 N ATOM 0 H ARG A 77 4.209 15.647 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 77 3.288 18.075 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.685 16.664 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.040 17.948 -1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.632 19.006 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.949 19.490 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.698 17.100 1.202 1.00 0.00 H new ATOM 0 HD3 ARG A 77 6.289 17.585 1.752 1.00 0.00 H new ATOM 0 HE ARG A 77 4.641 19.857 2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.821 16.550 3.281 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.070 16.967 4.824 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.680 20.379 4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.428 19.123 5.244 1.00 0.00 H new ATOM 1401 N PHE A 78 3.335 17.811 -4.000 1.00 0.00 N ATOM 1402 CA PHE A 78 3.183 18.492 -5.283 1.00 0.00 C ATOM 1403 C PHE A 78 1.738 18.925 -5.532 1.00 0.00 C ATOM 1404 O PHE A 78 1.421 20.113 -5.484 1.00 0.00 O ATOM 1405 CB PHE A 78 3.658 17.585 -6.421 1.00 0.00 C ATOM 1406 CG PHE A 78 4.863 18.114 -7.143 1.00 0.00 C ATOM 1407 CD1 PHE A 78 4.851 19.383 -7.698 1.00 0.00 C ATOM 1408 CD2 PHE A 78 6.008 17.342 -7.267 1.00 0.00 C ATOM 1409 CE1 PHE A 78 5.958 19.874 -8.363 1.00 0.00 C ATOM 1410 CE2 PHE A 78 7.117 17.827 -7.932 1.00 0.00 C ATOM 1411 CZ PHE A 78 7.093 19.095 -8.480 1.00 0.00 C ATOM 0 H PHE A 78 3.050 16.832 -4.004 1.00 0.00 H new ATOM 0 HA PHE A 78 3.798 19.391 -5.251 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.889 16.599 -6.017 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.845 17.454 -7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.966 19.996 -7.610 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.033 16.351 -6.839 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.936 20.865 -8.791 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.002 17.215 -8.024 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.960 19.477 -8.999 1.00 0.00 H new ATOM 1421 N ARG A 79 0.872 17.958 -5.822 1.00 0.00 N ATOM 1422 CA ARG A 79 -0.532 18.244 -6.106 1.00 0.00 C ATOM 1423 C ARG A 79 -1.336 18.546 -4.839 1.00 0.00 C ATOM 1424 O ARG A 79 -2.539 18.801 -4.915 1.00 0.00 O ATOM 1425 CB ARG A 79 -1.165 17.067 -6.847 1.00 0.00 C ATOM 1426 CG ARG A 79 -0.959 17.115 -8.353 1.00 0.00 C ATOM 1427 CD ARG A 79 -2.083 17.867 -9.047 1.00 0.00 C ATOM 1428 NE ARG A 79 -1.952 17.827 -10.500 1.00 0.00 N ATOM 1429 CZ ARG A 79 -2.939 18.125 -11.341 1.00 0.00 C ATOM 1430 NH1 ARG A 79 -4.129 18.486 -10.878 1.00 0.00 N ATOM 1431 NH2 ARG A 79 -2.736 18.064 -12.650 1.00 0.00 N ATOM 0 H ARG A 79 1.117 16.969 -5.867 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.557 19.137 -6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.746 16.138 -6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.234 17.047 -6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.007 17.596 -8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.903 16.100 -8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.041 17.435 -8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.086 18.904 -8.712 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.051 17.555 -10.894 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.291 18.536 -9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.882 18.713 -11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.823 17.789 -13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.493 18.292 -13.295 1.00 0.00 H new ATOM 1445 N GLU A 80 -0.685 18.512 -3.679 1.00 0.00 N ATOM 1446 CA GLU A 80 -1.371 18.786 -2.414 1.00 0.00 C ATOM 1447 C GLU A 80 -2.231 20.045 -2.511 1.00 0.00 C ATOM 1448 O GLU A 80 -3.454 19.964 -2.625 1.00 0.00 O ATOM 1449 CB GLU A 80 -0.369 18.930 -1.262 1.00 0.00 C ATOM 1450 CG GLU A 80 0.985 19.478 -1.681 1.00 0.00 C ATOM 1451 CD GLU A 80 1.527 20.506 -0.707 1.00 0.00 C ATOM 1452 OE1 GLU A 80 0.734 21.338 -0.220 1.00 0.00 O ATOM 1453 OE2 GLU A 80 2.745 20.477 -0.430 1.00 0.00 O ATOM 0 H GLU A 80 0.308 18.300 -3.586 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.021 17.935 -2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.796 19.587 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.226 17.955 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.695 18.655 -1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.900 19.930 -2.669 1.00 0.00 H new ATOM 1460 N ASP A 81 -1.585 21.207 -2.467 1.00 0.00 N ATOM 1461 CA ASP A 81 -2.294 22.479 -2.553 1.00 0.00 C ATOM 1462 C ASP A 81 -3.369 22.579 -1.473 1.00 0.00 C ATOM 1463 O ASP A 81 -3.606 21.627 -0.729 1.00 0.00 O ATOM 1464 CB ASP A 81 -2.926 22.642 -3.936 1.00 0.00 C ATOM 1465 CG ASP A 81 -2.666 24.012 -4.533 1.00 0.00 C ATOM 1466 OD1 ASP A 81 -1.491 24.432 -4.565 1.00 0.00 O ATOM 1467 OD2 ASP A 81 -3.639 24.665 -4.967 1.00 0.00 O ATOM 0 H ASP A 81 -0.573 21.293 -2.372 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.572 23.280 -2.395 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.532 21.877 -4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.001 22.479 -3.863 1.00 0.00 H new ATOM 1472 N HIS A 82 -4.016 23.738 -1.395 1.00 0.00 N ATOM 1473 CA HIS A 82 -5.066 23.961 -0.408 1.00 0.00 C ATOM 1474 C HIS A 82 -6.225 22.986 -0.617 1.00 0.00 C ATOM 1475 O HIS A 82 -6.819 22.942 -1.696 1.00 0.00 O ATOM 1476 CB HIS A 82 -5.574 25.401 -0.495 1.00 0.00 C ATOM 1477 CG HIS A 82 -6.072 25.940 0.810 1.00 0.00 C ATOM 1478 ND1 HIS A 82 -5.751 27.197 1.278 1.00 0.00 N ATOM 1479 CD2 HIS A 82 -6.874 25.385 1.750 1.00 0.00 C ATOM 1480 CE1 HIS A 82 -6.333 27.391 2.447 1.00 0.00 C ATOM 1481 NE2 HIS A 82 -7.020 26.308 2.757 1.00 0.00 N ATOM 0 H HIS A 82 -3.832 24.536 -2.003 1.00 0.00 H new ATOM 0 HA HIS A 82 -4.645 23.789 0.583 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -4.770 26.040 -0.859 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.378 25.450 -1.230 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.316 24.400 1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.259 28.285 3.048 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.570 26.177 3.606 1.00 0.00 H new ATOM 1490 N PRO A 83 -6.568 22.187 0.411 1.00 0.00 N ATOM 1491 CA PRO A 83 -7.664 21.216 0.322 1.00 0.00 C ATOM 1492 C PRO A 83 -9.025 21.886 0.179 1.00 0.00 C ATOM 1493 O PRO A 83 -9.708 22.147 1.170 1.00 0.00 O ATOM 1494 CB PRO A 83 -7.580 20.454 1.648 1.00 0.00 C ATOM 1495 CG PRO A 83 -6.887 21.385 2.580 1.00 0.00 C ATOM 1496 CD PRO A 83 -5.920 22.168 1.737 1.00 0.00 C ATOM 0 HA PRO A 83 -7.568 20.578 -0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.572 20.191 2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.025 19.523 1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.600 22.046 3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -6.366 20.836 3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.770 23.175 2.126 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.940 21.691 1.700 1.00 0.00 H new ATOM 1504 N ASP A 84 -9.414 22.164 -1.061 1.00 0.00 N ATOM 1505 CA ASP A 84 -10.695 22.805 -1.336 1.00 0.00 C ATOM 1506 C ASP A 84 -11.376 22.161 -2.540 1.00 0.00 C ATOM 1507 O ASP A 84 -12.102 22.822 -3.282 1.00 0.00 O ATOM 1508 CB ASP A 84 -10.499 24.301 -1.587 1.00 0.00 C ATOM 1509 CG ASP A 84 -9.519 24.573 -2.712 1.00 0.00 C ATOM 1510 OD1 ASP A 84 -9.646 23.933 -3.777 1.00 0.00 O ATOM 1511 OD2 ASP A 84 -8.627 25.427 -2.530 1.00 0.00 O ATOM 0 H ASP A 84 -8.860 21.955 -1.892 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.334 22.672 -0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.460 24.756 -1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.141 24.776 -0.674 1.00 0.00 H new ATOM 1516 N LEU A 85 -11.137 20.867 -2.727 1.00 0.00 N ATOM 1517 CA LEU A 85 -11.727 20.134 -3.841 1.00 0.00 C ATOM 1518 C LEU A 85 -12.804 19.171 -3.349 1.00 0.00 C ATOM 1519 O LEU A 85 -12.901 18.893 -2.154 1.00 0.00 O ATOM 1520 CB LEU A 85 -10.647 19.363 -4.603 1.00 0.00 C ATOM 1521 CG LEU A 85 -9.485 20.216 -5.122 1.00 0.00 C ATOM 1522 CD1 LEU A 85 -8.301 20.141 -4.171 1.00 0.00 C ATOM 1523 CD2 LEU A 85 -9.078 19.771 -6.518 1.00 0.00 C ATOM 0 H LEU A 85 -10.539 20.305 -2.122 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.190 20.856 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.246 18.589 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.112 18.857 -5.449 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.817 21.253 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.486 20.753 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.599 20.510 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.969 19.106 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.251 20.388 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.765 18.727 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.925 19.878 -7.195 1.00 0.00 H new ATOM 1535 N ILE A 86 -13.608 18.666 -4.278 1.00 0.00 N ATOM 1536 CA ILE A 86 -14.678 17.735 -3.939 1.00 0.00 C ATOM 1537 C ILE A 86 -14.169 16.299 -3.898 1.00 0.00 C ATOM 1538 O ILE A 86 -14.128 15.674 -2.839 1.00 0.00 O ATOM 1539 CB ILE A 86 -15.843 17.826 -4.942 1.00 0.00 C ATOM 1540 CG1 ILE A 86 -16.247 19.285 -5.157 1.00 0.00 C ATOM 1541 CG2 ILE A 86 -17.028 17.010 -4.452 1.00 0.00 C ATOM 1542 CD1 ILE A 86 -16.793 19.951 -3.913 1.00 0.00 C ATOM 0 H ILE A 86 -13.539 18.886 -5.272 1.00 0.00 H new ATOM 0 HA ILE A 86 -15.037 18.018 -2.949 1.00 0.00 H new ATOM 0 HB ILE A 86 -15.514 17.416 -5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -15.381 19.845 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -16.999 19.333 -5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -17.843 17.084 -5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -16.732 15.966 -4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -17.360 17.393 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -17.059 20.983 -4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -17.679 19.415 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -16.035 19.935 -3.129 1.00 0.00 H new ATOM 1554 N GLN A 87 -13.780 15.781 -5.058 1.00 0.00 N ATOM 1555 CA GLN A 87 -13.272 14.417 -5.154 1.00 0.00 C ATOM 1556 C GLN A 87 -12.412 14.244 -6.401 1.00 0.00 C ATOM 1557 O GLN A 87 -11.186 14.184 -6.317 1.00 0.00 O ATOM 1558 CB GLN A 87 -14.432 13.419 -5.176 1.00 0.00 C ATOM 1559 CG GLN A 87 -15.204 13.355 -3.868 1.00 0.00 C ATOM 1560 CD GLN A 87 -16.236 12.243 -3.852 1.00 0.00 C ATOM 1561 OE1 GLN A 87 -16.351 11.475 -4.806 1.00 0.00 O ATOM 1562 NE2 GLN A 87 -16.993 12.155 -2.764 1.00 0.00 N ATOM 0 H GLN A 87 -13.807 16.285 -5.945 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.653 14.223 -4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -15.117 13.688 -5.980 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.043 12.427 -5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.505 13.208 -3.045 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.702 14.310 -3.697 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.862 12.814 -1.997 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.705 11.428 -2.696 1.00 0.00 H new ATOM 1571 N ASN A 88 -13.063 14.166 -7.558 1.00 0.00 N ATOM 1572 CA ASN A 88 -12.354 14.002 -8.822 1.00 0.00 C ATOM 1573 C ASN A 88 -13.213 14.481 -9.996 1.00 0.00 C ATOM 1574 O ASN A 88 -13.240 15.672 -10.301 1.00 0.00 O ATOM 1575 CB ASN A 88 -11.934 12.539 -9.019 1.00 0.00 C ATOM 1576 CG ASN A 88 -12.892 11.558 -8.368 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -13.788 11.021 -9.020 1.00 0.00 O ATOM 1578 ND2 ASN A 88 -12.708 11.322 -7.075 1.00 0.00 N ATOM 0 H ASN A 88 -14.078 14.214 -7.646 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.454 14.616 -8.789 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -11.871 12.325 -10.086 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.936 12.394 -8.605 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -13.322 10.673 -6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.952 11.789 -6.574 1.00 0.00 H new ATOM 1585 N ALA A 89 -13.912 13.555 -10.653 1.00 0.00 N ATOM 1586 CA ALA A 89 -14.763 13.903 -11.785 1.00 0.00 C ATOM 1587 C ALA A 89 -15.476 12.672 -12.333 1.00 0.00 C ATOM 1588 O ALA A 89 -15.454 11.605 -11.719 1.00 0.00 O ATOM 1589 CB ALA A 89 -13.942 14.569 -12.880 1.00 0.00 C ATOM 0 H ALA A 89 -13.904 12.562 -10.420 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.520 14.606 -11.436 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.591 14.823 -13.718 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.482 15.477 -12.489 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.164 13.885 -13.218 1.00 0.00 H new ATOM 1595 N LYS A 90 -16.108 12.826 -13.492 1.00 0.00 N ATOM 1596 CA LYS A 90 -16.828 11.725 -14.122 1.00 0.00 C ATOM 1597 C LYS A 90 -16.659 11.761 -15.637 1.00 0.00 C ATOM 1598 O LYS A 90 -16.355 12.805 -16.214 1.00 0.00 O ATOM 1599 CB LYS A 90 -18.313 11.783 -13.762 1.00 0.00 C ATOM 1600 CG LYS A 90 -19.012 13.036 -14.266 1.00 0.00 C ATOM 1601 CD LYS A 90 -20.315 12.703 -14.977 1.00 0.00 C ATOM 1602 CE LYS A 90 -21.406 13.705 -14.641 1.00 0.00 C ATOM 1603 NZ LYS A 90 -21.866 13.572 -13.230 1.00 0.00 N ATOM 0 H LYS A 90 -16.136 13.702 -14.014 1.00 0.00 H new ATOM 0 HA LYS A 90 -16.408 10.791 -13.749 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -18.813 10.907 -14.175 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -18.418 11.729 -12.678 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -19.214 13.703 -13.428 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -18.352 13.572 -14.948 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -20.150 12.691 -16.054 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -20.640 11.702 -14.693 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -21.035 14.716 -14.808 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -22.251 13.561 -15.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -22.790 14.037 -13.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -21.955 12.565 -12.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -21.175 14.021 -12.596 1.00 0.00 H new ATOM 1617 N LYS A 91 -16.860 10.613 -16.277 1.00 0.00 N ATOM 1618 CA LYS A 91 -16.730 10.512 -17.725 1.00 0.00 C ATOM 1619 C LYS A 91 -18.082 10.701 -18.407 1.00 0.00 C ATOM 1620 O LYS A 91 -18.243 11.706 -19.131 1.00 0.00 O ATOM 1621 CB LYS A 91 -16.137 9.157 -18.114 1.00 0.00 C ATOM 1622 CG LYS A 91 -14.703 8.965 -17.644 1.00 0.00 C ATOM 1623 CD LYS A 91 -13.736 8.890 -18.816 1.00 0.00 C ATOM 1624 CE LYS A 91 -12.430 9.605 -18.506 1.00 0.00 C ATOM 1625 NZ LYS A 91 -11.340 9.195 -19.434 1.00 0.00 N ATOM 0 H LYS A 91 -17.114 9.740 -15.815 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.059 11.303 -18.059 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -16.757 8.364 -17.696 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.173 9.051 -19.198 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.420 9.790 -16.990 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.632 8.051 -17.054 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.533 7.846 -19.056 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.196 9.336 -19.698 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.580 10.682 -18.576 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.133 9.390 -17.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.467 9.704 -19.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.179 8.171 -19.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.612 9.423 -20.412 1.00 0.00 H new TER 1639 LYS A 91