USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=19 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 33 HIS : no HD1:sc= -9.39! C(o=-11!,f=-13!) USER MOD Set 1.2: A 36 MET CE :methyl -153:sc= -1.33 (180deg=0) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -158:sc= -1.97 (180deg=-3.25!) USER MOD Set 2.2: A 29 TYR OH : rot -150:sc= -0.911 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.00096 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0454) USER MOD Single : A 3 LYS NZ :NH3+ -152:sc= -0.101 (180deg=-0.445) USER MOD Single : A 5 LYS NZ :NH3+ 137:sc= -0.567 (180deg=-0.805) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0759) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.263) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -167:sc=-0.00235 (180deg=-0.18) 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= -0.377 X(o=-0.38,f=-0.22) USER MOD Single : A 42 THR OG1 : rot 66:sc= 0.83 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0348 (180deg=-0.327) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -131:sc= 0.336 (180deg=-0.0996) 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 -76:sc= 1.06 USER MOD Single : A 62 GLN : amide:sc= -0.974 K(o=-0.97,f=-0.33) USER MOD Single : A 65 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.3!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -1.84 K(o=-1.8,f=-0.67) USER MOD Single : A 74 ASN : amide:sc= -0.0159 K(o=-0.016,f=-0.76) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 87 GLN : amide:sc= -3.85! C(o=-3.8!,f=-6.8!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.682 8.957 -4.876 1.00 0.00 N ATOM 2 CA MET A 1 -16.256 8.364 -3.583 1.00 0.00 C ATOM 3 C MET A 1 -15.110 7.375 -3.782 1.00 0.00 C ATOM 4 O MET A 1 -14.672 7.135 -4.906 1.00 0.00 O ATOM 5 CB MET A 1 -17.460 7.664 -2.948 1.00 0.00 C ATOM 6 CG MET A 1 -17.787 8.165 -1.550 1.00 0.00 C ATOM 7 SD MET A 1 -17.199 7.054 -0.257 1.00 0.00 S ATOM 8 CE MET A 1 -17.269 8.132 1.172 1.00 0.00 C ATOM 0 H1 MET A 1 -17.642 9.345 -4.780 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.026 9.719 -5.141 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.677 8.223 -5.613 1.00 0.00 H new ATOM 0 HA MET A 1 -15.894 9.155 -2.926 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.331 7.804 -3.588 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.266 6.592 -2.905 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.341 9.149 -1.408 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.866 8.287 -1.455 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.934 7.588 2.055 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.621 8.994 1.010 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.294 8.471 1.322 1.00 0.00 H new ATOM 20 N LYS A 2 -14.629 6.804 -2.681 1.00 0.00 N ATOM 21 CA LYS A 2 -13.535 5.842 -2.735 1.00 0.00 C ATOM 22 C LYS A 2 -12.271 6.486 -3.297 1.00 0.00 C ATOM 23 O LYS A 2 -11.513 5.853 -4.032 1.00 0.00 O ATOM 24 CB LYS A 2 -13.932 4.633 -3.586 1.00 0.00 C ATOM 25 CG LYS A 2 -13.715 3.301 -2.886 1.00 0.00 C ATOM 26 CD LYS A 2 -12.642 2.474 -3.576 1.00 0.00 C ATOM 27 CE LYS A 2 -11.980 1.504 -2.609 1.00 0.00 C ATOM 28 NZ LYS A 2 -12.960 0.548 -2.027 1.00 0.00 N ATOM 0 H LYS A 2 -14.980 6.991 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.327 5.507 -1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.983 4.722 -3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.357 4.646 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.429 3.477 -1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.651 2.742 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.084 1.920 -4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.888 3.136 -4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.197 0.951 -3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.497 2.063 -1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.457 -0.159 -1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.634 1.064 -1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.475 0.069 -2.793 1.00 0.00 H new ATOM 42 N LYS A 3 -12.052 7.750 -2.949 1.00 0.00 N ATOM 43 CA LYS A 3 -10.878 8.481 -3.417 1.00 0.00 C ATOM 44 C LYS A 3 -9.987 8.886 -2.248 1.00 0.00 C ATOM 45 O LYS A 3 -10.247 8.519 -1.102 1.00 0.00 O ATOM 46 CB LYS A 3 -11.308 9.723 -4.203 1.00 0.00 C ATOM 47 CG LYS A 3 -11.379 9.499 -5.705 1.00 0.00 C ATOM 48 CD LYS A 3 -11.352 10.814 -6.467 1.00 0.00 C ATOM 49 CE LYS A 3 -12.029 10.686 -7.823 1.00 0.00 C ATOM 50 NZ LYS A 3 -11.047 10.428 -8.913 1.00 0.00 N ATOM 0 H LYS A 3 -12.671 8.290 -2.345 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.307 7.824 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.285 10.048 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.608 10.533 -3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.541 8.877 -6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -12.291 8.954 -5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.851 11.586 -5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.320 11.136 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.756 9.875 -7.790 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.581 11.600 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.417 10.803 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.147 10.897 -8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.891 9.404 -9.004 1.00 0.00 H new ATOM 64 N LEU A 4 -8.935 9.642 -2.545 1.00 0.00 N ATOM 65 CA LEU A 4 -8.006 10.095 -1.516 1.00 0.00 C ATOM 66 C LEU A 4 -7.801 11.603 -1.596 1.00 0.00 C ATOM 67 O LEU A 4 -7.443 12.138 -2.645 1.00 0.00 O ATOM 68 CB LEU A 4 -6.660 9.378 -1.660 1.00 0.00 C ATOM 69 CG LEU A 4 -6.746 7.911 -2.088 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.477 7.772 -3.579 1.00 0.00 C ATOM 71 CD2 LEU A 4 -5.770 7.062 -1.288 1.00 0.00 C ATOM 0 H LEU A 4 -8.705 9.954 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.435 9.854 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.055 9.918 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.134 9.432 -0.707 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.756 7.554 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.543 6.722 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.216 8.346 -4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.479 8.148 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.846 6.022 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.754 7.420 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.009 7.135 -0.227 1.00 0.00 H new ATOM 83 N LYS A 5 -8.033 12.287 -0.479 1.00 0.00 N ATOM 84 CA LYS A 5 -7.872 13.735 -0.424 1.00 0.00 C ATOM 85 C LYS A 5 -6.472 14.108 0.050 1.00 0.00 C ATOM 86 O LYS A 5 -5.667 14.633 -0.719 1.00 0.00 O ATOM 87 CB LYS A 5 -8.923 14.352 0.504 1.00 0.00 C ATOM 88 CG LYS A 5 -10.314 13.769 0.327 1.00 0.00 C ATOM 89 CD LYS A 5 -10.780 13.864 -1.117 1.00 0.00 C ATOM 90 CE LYS A 5 -12.083 13.112 -1.334 1.00 0.00 C ATOM 91 NZ LYS A 5 -12.078 12.348 -2.612 1.00 0.00 N ATOM 0 H LYS A 5 -8.333 11.862 0.398 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.011 14.131 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.609 14.211 1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.964 15.427 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.315 12.726 0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.016 14.298 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.914 14.911 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.011 13.459 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.250 12.427 -0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.913 13.818 -1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.487 11.405 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.643 12.856 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.101 12.249 -2.953 1.00 0.00 H new ATOM 105 N LYS A 6 -6.186 13.834 1.320 1.00 0.00 N ATOM 106 CA LYS A 6 -4.881 14.139 1.899 1.00 0.00 C ATOM 107 C LYS A 6 -4.883 13.892 3.404 1.00 0.00 C ATOM 108 O LYS A 6 -5.904 14.067 4.071 1.00 0.00 O ATOM 109 CB LYS A 6 -4.492 15.594 1.615 1.00 0.00 C ATOM 110 CG LYS A 6 -5.637 16.577 1.798 1.00 0.00 C ATOM 111 CD LYS A 6 -5.232 17.752 2.675 1.00 0.00 C ATOM 112 CE LYS A 6 -4.444 18.787 1.888 1.00 0.00 C ATOM 113 NZ LYS A 6 -3.984 19.909 2.754 1.00 0.00 N ATOM 0 H LYS A 6 -6.842 13.400 1.969 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.148 13.478 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.672 15.877 2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.120 15.669 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.961 16.944 0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.489 16.065 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.123 18.216 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.631 17.394 3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.581 18.310 1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.064 19.180 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.451 20.594 2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.808 20.380 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.372 19.537 3.508 1.00 0.00 H new ATOM 127 N HIS A 7 -3.735 13.484 3.933 1.00 0.00 N ATOM 128 CA HIS A 7 -3.603 13.213 5.360 1.00 0.00 C ATOM 129 C HIS A 7 -2.279 13.756 5.895 1.00 0.00 C ATOM 130 O HIS A 7 -1.223 13.165 5.667 1.00 0.00 O ATOM 131 CB HIS A 7 -3.695 11.709 5.626 1.00 0.00 C ATOM 132 CG HIS A 7 -4.333 11.372 6.938 1.00 0.00 C ATOM 133 ND1 HIS A 7 -5.597 10.830 7.044 1.00 0.00 N ATOM 134 CD2 HIS A 7 -3.877 11.504 8.206 1.00 0.00 C ATOM 135 CE1 HIS A 7 -5.890 10.644 8.319 1.00 0.00 C ATOM 136 NE2 HIS A 7 -4.862 11.043 9.044 1.00 0.00 N ATOM 0 H HIS A 7 -2.882 13.333 3.395 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.419 13.717 5.878 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -4.264 11.240 4.823 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.693 11.281 5.598 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.917 11.899 8.503 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -6.813 10.235 8.702 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.808 11.014 10.062 1.00 0.00 H new ATOM 145 N PRO A 8 -2.315 14.893 6.614 1.00 0.00 N ATOM 146 CA PRO A 8 -1.111 15.509 7.178 1.00 0.00 C ATOM 147 C PRO A 8 -0.184 14.494 7.839 1.00 0.00 C ATOM 148 O PRO A 8 -0.543 13.863 8.833 1.00 0.00 O ATOM 149 CB PRO A 8 -1.672 16.477 8.216 1.00 0.00 C ATOM 150 CG PRO A 8 -3.005 16.870 7.678 1.00 0.00 C ATOM 151 CD PRO A 8 -3.530 15.667 6.937 1.00 0.00 C ATOM 0 HA PRO A 8 -0.499 15.984 6.411 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.763 16.002 9.193 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.023 17.344 8.342 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.681 17.157 8.484 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.919 17.730 7.013 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.221 15.089 7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.071 15.957 6.036 1.00 0.00 H new ATOM 159 N ASP A 9 1.014 14.344 7.280 1.00 0.00 N ATOM 160 CA ASP A 9 1.999 13.408 7.812 1.00 0.00 C ATOM 161 C ASP A 9 1.500 11.969 7.709 1.00 0.00 C ATOM 162 O ASP A 9 1.546 11.213 8.680 1.00 0.00 O ATOM 163 CB ASP A 9 2.320 13.748 9.270 1.00 0.00 C ATOM 164 CG ASP A 9 3.753 13.419 9.636 1.00 0.00 C ATOM 165 OD1 ASP A 9 4.672 14.003 9.023 1.00 0.00 O ATOM 166 OD2 ASP A 9 3.958 12.579 10.536 1.00 0.00 O ATOM 0 H ASP A 9 1.326 14.860 6.457 1.00 0.00 H new ATOM 0 HA ASP A 9 2.907 13.499 7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.138 14.809 9.442 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.645 13.199 9.926 1.00 0.00 H new ATOM 171 N PHE A 10 1.028 11.594 6.523 1.00 0.00 N ATOM 172 CA PHE A 10 0.527 10.243 6.294 1.00 0.00 C ATOM 173 C PHE A 10 0.120 10.050 4.833 1.00 0.00 C ATOM 174 O PHE A 10 -1.051 9.817 4.529 1.00 0.00 O ATOM 175 CB PHE A 10 -0.662 9.957 7.217 1.00 0.00 C ATOM 176 CG PHE A 10 -0.596 8.609 7.878 1.00 0.00 C ATOM 177 CD1 PHE A 10 0.577 8.170 8.469 1.00 0.00 C ATOM 178 CD2 PHE A 10 -1.708 7.783 7.909 1.00 0.00 C ATOM 179 CE1 PHE A 10 0.642 6.931 9.079 1.00 0.00 C ATOM 180 CE2 PHE A 10 -1.650 6.543 8.517 1.00 0.00 C ATOM 181 CZ PHE A 10 -0.474 6.116 9.102 1.00 0.00 C ATOM 0 H PHE A 10 0.982 12.205 5.708 1.00 0.00 H new ATOM 0 HA PHE A 10 1.329 9.540 6.519 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.709 10.728 7.986 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.584 10.025 6.640 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.452 8.803 8.453 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.630 8.112 7.453 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.563 6.601 9.537 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.524 5.908 8.535 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.427 5.147 9.577 1.00 0.00 H new ATOM 191 N PRO A 11 1.087 10.141 3.903 1.00 0.00 N ATOM 192 CA PRO A 11 0.822 9.973 2.468 1.00 0.00 C ATOM 193 C PRO A 11 0.309 8.577 2.131 1.00 0.00 C ATOM 194 O PRO A 11 1.087 7.630 2.021 1.00 0.00 O ATOM 195 CB PRO A 11 2.190 10.207 1.811 1.00 0.00 C ATOM 196 CG PRO A 11 3.004 10.913 2.840 1.00 0.00 C ATOM 197 CD PRO A 11 2.507 10.416 4.167 1.00 0.00 C ATOM 0 HA PRO A 11 0.047 10.657 2.122 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.654 9.264 1.521 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.094 10.806 0.906 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.065 10.698 2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.886 11.994 2.758 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.039 9.521 4.488 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.635 11.162 4.952 1.00 0.00 H new ATOM 205 N LYS A 12 -1.005 8.457 1.966 1.00 0.00 N ATOM 206 CA LYS A 12 -1.619 7.176 1.636 1.00 0.00 C ATOM 207 C LYS A 12 -1.932 7.096 0.146 1.00 0.00 C ATOM 208 O LYS A 12 -2.802 7.808 -0.354 1.00 0.00 O ATOM 209 CB LYS A 12 -2.897 6.974 2.454 1.00 0.00 C ATOM 210 CG LYS A 12 -2.731 6.005 3.615 1.00 0.00 C ATOM 211 CD LYS A 12 -2.764 6.723 4.954 1.00 0.00 C ATOM 212 CE LYS A 12 -4.157 7.242 5.273 1.00 0.00 C ATOM 213 NZ LYS A 12 -5.091 6.139 5.632 1.00 0.00 N ATOM 0 H LYS A 12 -1.664 9.230 2.055 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.912 6.384 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.227 7.938 2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.685 6.608 1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.525 5.258 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.786 5.471 3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.439 6.043 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.059 7.554 4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.100 7.952 6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.549 7.784 4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.975 6.540 6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.298 5.570 4.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.653 5.535 6.357 1.00 0.00 H new ATOM 227 N LYS A 13 -1.218 6.224 -0.562 1.00 0.00 N ATOM 228 CA LYS A 13 -1.422 6.058 -1.998 1.00 0.00 C ATOM 229 C LYS A 13 -1.158 4.615 -2.435 1.00 0.00 C ATOM 230 O LYS A 13 -2.081 3.905 -2.833 1.00 0.00 O ATOM 231 CB LYS A 13 -0.528 7.024 -2.780 1.00 0.00 C ATOM 232 CG LYS A 13 -1.288 8.171 -3.425 1.00 0.00 C ATOM 233 CD LYS A 13 -1.239 9.428 -2.570 1.00 0.00 C ATOM 234 CE LYS A 13 0.187 9.917 -2.372 1.00 0.00 C ATOM 235 NZ LYS A 13 0.427 11.219 -3.052 1.00 0.00 N ATOM 0 H LYS A 13 -0.495 5.623 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.465 6.288 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.227 7.432 -2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.002 6.469 -3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.864 8.382 -4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.326 7.878 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.831 10.212 -3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.693 9.226 -1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.390 10.021 -1.306 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.883 9.172 -2.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.450 11.403 -3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.037 11.185 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.037 11.981 -2.517 1.00 0.00 H new ATOM 249 N PRO A 14 0.108 4.157 -2.374 1.00 0.00 N ATOM 250 CA PRO A 14 0.471 2.793 -2.773 1.00 0.00 C ATOM 251 C PRO A 14 -0.285 1.734 -1.979 1.00 0.00 C ATOM 252 O PRO A 14 -0.987 2.046 -1.018 1.00 0.00 O ATOM 253 CB PRO A 14 1.974 2.708 -2.482 1.00 0.00 C ATOM 254 CG PRO A 14 2.262 3.844 -1.563 1.00 0.00 C ATOM 255 CD PRO A 14 1.280 4.922 -1.921 1.00 0.00 C ATOM 0 HA PRO A 14 0.220 2.602 -3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.232 1.754 -2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.557 2.787 -3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.149 3.542 -0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.287 4.194 -1.684 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.044 5.555 -1.065 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.664 5.575 -2.704 1.00 0.00 H new ATOM 263 N LEU A 15 -0.133 0.480 -2.389 1.00 0.00 N ATOM 264 CA LEU A 15 -0.798 -0.633 -1.720 1.00 0.00 C ATOM 265 C LEU A 15 0.220 -1.649 -1.212 1.00 0.00 C ATOM 266 O LEU A 15 1.412 -1.542 -1.495 1.00 0.00 O ATOM 267 CB LEU A 15 -1.777 -1.323 -2.673 1.00 0.00 C ATOM 268 CG LEU A 15 -2.882 -0.427 -3.233 1.00 0.00 C ATOM 269 CD1 LEU A 15 -3.181 -0.795 -4.678 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.140 -0.540 -2.385 1.00 0.00 C ATOM 0 H LEU A 15 0.446 0.208 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.348 -0.230 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.213 -1.741 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.240 -2.159 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.537 0.607 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.970 -0.148 -5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.281 -0.667 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.507 -1.834 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.916 0.104 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.488 -1.573 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.919 -0.232 -1.363 1.00 0.00 H new ATOM 282 N THR A 16 -0.263 -2.639 -0.469 1.00 0.00 N ATOM 283 CA THR A 16 0.600 -3.681 0.072 1.00 0.00 C ATOM 284 C THR A 16 0.631 -4.889 -0.861 1.00 0.00 C ATOM 285 O THR A 16 -0.311 -5.117 -1.620 1.00 0.00 O ATOM 286 CB THR A 16 0.117 -4.103 1.460 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.047 -4.905 1.364 1.00 0.00 O ATOM 288 CG2 THR A 16 -0.205 -2.932 2.363 1.00 0.00 C ATOM 0 H THR A 16 -1.249 -2.741 -0.228 1.00 0.00 H new ATOM 0 HA THR A 16 1.610 -3.280 0.157 1.00 0.00 H new ATOM 0 HB THR A 16 0.945 -4.661 1.897 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.339 -5.166 2.262 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.542 -3.301 3.332 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.687 -2.320 2.498 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.993 -2.330 1.911 1.00 0.00 H new ATOM 296 N PRO A 17 1.715 -5.685 -0.816 1.00 0.00 N ATOM 297 CA PRO A 17 1.865 -6.875 -1.657 1.00 0.00 C ATOM 298 C PRO A 17 0.588 -7.704 -1.714 1.00 0.00 C ATOM 299 O PRO A 17 0.074 -7.995 -2.795 1.00 0.00 O ATOM 300 CB PRO A 17 2.995 -7.669 -0.981 1.00 0.00 C ATOM 301 CG PRO A 17 3.355 -6.909 0.259 1.00 0.00 C ATOM 302 CD PRO A 17 2.876 -5.502 0.056 1.00 0.00 C ATOM 0 HA PRO A 17 2.083 -6.612 -2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.669 -8.680 -0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.855 -7.763 -1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.886 -7.355 1.136 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.432 -6.931 0.428 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.605 -5.026 0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.638 -4.877 -0.409 1.00 0.00 H new ATOM 310 N TYR A 18 0.071 -8.076 -0.547 1.00 0.00 N ATOM 311 CA TYR A 18 -1.153 -8.864 -0.476 1.00 0.00 C ATOM 312 C TYR A 18 -2.297 -8.139 -1.181 1.00 0.00 C ATOM 313 O TYR A 18 -3.204 -8.769 -1.723 1.00 0.00 O ATOM 314 CB TYR A 18 -1.529 -9.149 0.981 1.00 0.00 C ATOM 315 CG TYR A 18 -2.668 -10.137 1.139 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.831 -11.193 0.247 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.581 -10.014 2.180 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.870 -12.093 0.390 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.621 -10.909 2.328 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.763 -11.947 1.432 1.00 0.00 C ATOM 321 OH TYR A 18 -5.798 -12.842 1.577 1.00 0.00 O ATOM 0 H TYR A 18 0.479 -7.845 0.359 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.976 -9.814 -0.981 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.653 -9.533 1.504 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.804 -8.212 1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.134 -11.311 -0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.475 -9.203 2.886 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.983 -12.907 -0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.321 -10.797 3.143 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.334 -12.598 2.360 1.00 0.00 H new ATOM 331 N PHE A 19 -2.237 -6.809 -1.177 1.00 0.00 N ATOM 332 CA PHE A 19 -3.258 -5.996 -1.824 1.00 0.00 C ATOM 333 C PHE A 19 -3.100 -6.049 -3.341 1.00 0.00 C ATOM 334 O PHE A 19 -4.003 -6.479 -4.054 1.00 0.00 O ATOM 335 CB PHE A 19 -3.178 -4.549 -1.335 1.00 0.00 C ATOM 336 CG PHE A 19 -4.345 -4.141 -0.480 1.00 0.00 C ATOM 337 CD1 PHE A 19 -5.563 -3.819 -1.055 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.223 -4.083 0.899 1.00 0.00 C ATOM 339 CE1 PHE A 19 -6.638 -3.445 -0.274 1.00 0.00 C ATOM 340 CE2 PHE A 19 -5.295 -3.710 1.688 1.00 0.00 C ATOM 341 CZ PHE A 19 -6.505 -3.392 1.101 1.00 0.00 C ATOM 0 H PHE A 19 -1.491 -6.274 -0.732 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.236 -6.399 -1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.257 -4.416 -0.767 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.119 -3.885 -2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.673 -3.861 -2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.280 -4.332 1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.581 -3.194 -0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.187 -3.667 2.762 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.345 -3.103 1.715 1.00 0.00 H new ATOM 351 N ARG A 20 -1.937 -5.622 -3.827 1.00 0.00 N ATOM 352 CA ARG A 20 -1.661 -5.636 -5.262 1.00 0.00 C ATOM 353 C ARG A 20 -1.676 -7.063 -5.812 1.00 0.00 C ATOM 354 O ARG A 20 -1.636 -7.271 -7.024 1.00 0.00 O ATOM 355 CB ARG A 20 -0.313 -4.973 -5.563 1.00 0.00 C ATOM 356 CG ARG A 20 0.798 -5.354 -4.596 1.00 0.00 C ATOM 357 CD ARG A 20 2.136 -4.770 -5.024 1.00 0.00 C ATOM 358 NE ARG A 20 2.003 -3.397 -5.512 1.00 0.00 N ATOM 359 CZ ARG A 20 2.553 -2.946 -6.639 1.00 0.00 C ATOM 360 NH1 ARG A 20 3.288 -3.746 -7.403 1.00 0.00 N ATOM 361 NH2 ARG A 20 2.369 -1.683 -7.003 1.00 0.00 N ATOM 0 H ARG A 20 -1.174 -5.264 -3.252 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.450 -5.068 -5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.007 -5.240 -6.574 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.441 -3.891 -5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.549 -4.999 -3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.875 -6.440 -4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.827 -4.790 -4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.570 -5.393 -5.806 1.00 0.00 H new ATOM 0 HE ARG A 20 1.454 -2.743 -4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.437 -4.717 -7.129 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.704 -3.389 -8.263 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.808 -1.061 -6.421 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.788 -1.334 -7.865 1.00 0.00 H new ATOM 375 N PHE A 21 -1.733 -8.043 -4.913 1.00 0.00 N ATOM 376 CA PHE A 21 -1.758 -9.450 -5.295 1.00 0.00 C ATOM 377 C PHE A 21 -3.189 -9.985 -5.264 1.00 0.00 C ATOM 378 O PHE A 21 -3.618 -10.721 -6.158 1.00 0.00 O ATOM 379 CB PHE A 21 -0.879 -10.248 -4.328 1.00 0.00 C ATOM 380 CG PHE A 21 -0.552 -11.640 -4.785 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.531 -12.620 -4.828 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.740 -11.972 -5.156 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.224 -13.905 -5.235 1.00 0.00 C ATOM 384 CE2 PHE A 21 1.053 -13.253 -5.565 1.00 0.00 C ATOM 385 CZ PHE A 21 0.069 -14.222 -5.605 1.00 0.00 C ATOM 0 H PHE A 21 -1.763 -7.884 -3.906 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.374 -9.554 -6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.052 -9.703 -4.170 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.382 -10.305 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.543 -12.377 -4.541 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.513 -11.219 -5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.995 -14.661 -5.264 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.065 -13.497 -5.853 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.310 -15.225 -5.925 1.00 0.00 H new ATOM 395 N PHE A 22 -3.923 -9.592 -4.229 1.00 0.00 N ATOM 396 CA PHE A 22 -5.305 -10.012 -4.055 1.00 0.00 C ATOM 397 C PHE A 22 -6.223 -9.158 -4.915 1.00 0.00 C ATOM 398 O PHE A 22 -7.093 -9.665 -5.619 1.00 0.00 O ATOM 399 CB PHE A 22 -5.678 -9.894 -2.572 1.00 0.00 C ATOM 400 CG PHE A 22 -7.147 -10.030 -2.270 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.034 -9.016 -2.594 1.00 0.00 C ATOM 402 CD2 PHE A 22 -7.632 -11.166 -1.643 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.379 -9.133 -2.300 1.00 0.00 C ATOM 404 CE2 PHE A 22 -8.975 -11.289 -1.348 1.00 0.00 C ATOM 405 CZ PHE A 22 -9.850 -10.272 -1.676 1.00 0.00 C ATOM 0 H PHE A 22 -3.578 -8.977 -3.492 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.420 -11.049 -4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.136 -10.658 -2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.335 -8.927 -2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.670 -8.124 -3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.952 -11.964 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.061 -8.336 -2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.341 -12.180 -0.861 1.00 0.00 H new ATOM 0 HZ PHE A 22 -10.901 -10.367 -1.445 1.00 0.00 H new ATOM 415 N MET A 23 -6.013 -7.855 -4.843 1.00 0.00 N ATOM 416 CA MET A 23 -6.803 -6.896 -5.594 1.00 0.00 C ATOM 417 C MET A 23 -6.565 -7.023 -7.102 1.00 0.00 C ATOM 418 O MET A 23 -7.383 -6.573 -7.904 1.00 0.00 O ATOM 419 CB MET A 23 -6.466 -5.482 -5.100 1.00 0.00 C ATOM 420 CG MET A 23 -5.610 -4.662 -6.056 1.00 0.00 C ATOM 421 SD MET A 23 -5.346 -2.977 -5.476 1.00 0.00 S ATOM 422 CE MET A 23 -6.957 -2.256 -5.783 1.00 0.00 C ATOM 0 H MET A 23 -5.289 -7.432 -4.262 1.00 0.00 H new ATOM 0 HA MET A 23 -7.861 -7.100 -5.427 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.396 -4.945 -4.915 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.947 -5.559 -4.145 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.646 -5.153 -6.187 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.089 -4.635 -7.035 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.893 -1.171 -5.696 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.289 -2.520 -6.787 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.671 -2.637 -5.053 1.00 0.00 H new ATOM 432 N GLU A 24 -5.438 -7.619 -7.484 1.00 0.00 N ATOM 433 CA GLU A 24 -5.104 -7.773 -8.896 1.00 0.00 C ATOM 434 C GLU A 24 -5.702 -9.047 -9.495 1.00 0.00 C ATOM 435 O GLU A 24 -6.180 -9.034 -10.629 1.00 0.00 O ATOM 436 CB GLU A 24 -3.586 -7.762 -9.089 1.00 0.00 C ATOM 437 CG GLU A 24 -2.893 -9.045 -8.656 1.00 0.00 C ATOM 438 CD GLU A 24 -1.433 -9.080 -9.058 1.00 0.00 C ATOM 439 OE1 GLU A 24 -0.856 -7.999 -9.299 1.00 0.00 O ATOM 440 OE2 GLU A 24 -0.864 -10.189 -9.132 1.00 0.00 O ATOM 0 H GLU A 24 -4.745 -8.001 -6.840 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.541 -6.926 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.366 -7.581 -10.141 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.166 -6.928 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.971 -9.149 -7.574 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.408 -9.899 -9.096 1.00 0.00 H new ATOM 447 N LYS A 25 -5.667 -10.147 -8.746 1.00 0.00 N ATOM 448 CA LYS A 25 -6.205 -11.406 -9.249 1.00 0.00 C ATOM 449 C LYS A 25 -7.649 -11.633 -8.796 1.00 0.00 C ATOM 450 O LYS A 25 -8.263 -12.640 -9.141 1.00 0.00 O ATOM 451 CB LYS A 25 -5.317 -12.581 -8.836 1.00 0.00 C ATOM 452 CG LYS A 25 -5.457 -12.987 -7.381 1.00 0.00 C ATOM 453 CD LYS A 25 -4.156 -13.564 -6.841 1.00 0.00 C ATOM 454 CE LYS A 25 -3.688 -14.757 -7.661 1.00 0.00 C ATOM 455 NZ LYS A 25 -3.711 -16.021 -6.875 1.00 0.00 N ATOM 0 H LYS A 25 -5.278 -10.192 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.212 -11.342 -10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.554 -13.439 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.276 -12.321 -9.030 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.748 -12.121 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.253 -13.725 -7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.385 -12.793 -6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.295 -13.867 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.325 -14.865 -8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.676 -14.574 -8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.063 -16.710 -7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.410 -15.828 -5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.676 -16.409 -6.870 1.00 0.00 H new ATOM 469 N ARG A 26 -8.197 -10.685 -8.037 1.00 0.00 N ATOM 470 CA ARG A 26 -9.564 -10.775 -7.566 1.00 0.00 C ATOM 471 C ARG A 26 -10.500 -11.071 -8.726 1.00 0.00 C ATOM 472 O ARG A 26 -11.512 -11.755 -8.572 1.00 0.00 O ATOM 473 CB ARG A 26 -9.957 -9.465 -6.882 1.00 0.00 C ATOM 474 CG ARG A 26 -10.047 -9.591 -5.377 1.00 0.00 C ATOM 475 CD ARG A 26 -10.977 -10.721 -4.996 1.00 0.00 C ATOM 476 NE ARG A 26 -10.292 -11.786 -4.270 1.00 0.00 N ATOM 477 CZ ARG A 26 -10.853 -12.499 -3.297 1.00 0.00 C ATOM 478 NH1 ARG A 26 -12.092 -12.242 -2.898 1.00 0.00 N ATOM 479 NH2 ARG A 26 -10.171 -13.469 -2.717 1.00 0.00 N ATOM 0 H ARG A 26 -7.705 -9.843 -7.738 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.643 -11.589 -6.845 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.227 -8.696 -7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.919 -9.132 -7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.056 -9.772 -4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.407 -8.656 -4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.787 -10.329 -4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.431 -11.133 -5.897 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.327 -11.996 -4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.624 -11.491 -3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.512 -12.795 -2.151 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.216 -13.670 -3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.598 -14.017 -1.971 1.00 0.00 H new ATOM 493 N ALA A 27 -10.133 -10.565 -9.895 1.00 0.00 N ATOM 494 CA ALA A 27 -10.912 -10.788 -11.100 1.00 0.00 C ATOM 495 C ALA A 27 -10.839 -12.253 -11.491 1.00 0.00 C ATOM 496 O ALA A 27 -11.806 -12.834 -11.986 1.00 0.00 O ATOM 497 CB ALA A 27 -10.385 -9.923 -12.228 1.00 0.00 C ATOM 0 H ALA A 27 -9.298 -9.996 -10.032 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.951 -10.519 -10.909 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.976 -10.098 -13.127 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.457 -8.873 -11.945 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.343 -10.176 -12.424 1.00 0.00 H new ATOM 503 N LYS A 28 -9.671 -12.841 -11.262 1.00 0.00 N ATOM 504 CA LYS A 28 -9.440 -14.245 -11.584 1.00 0.00 C ATOM 505 C LYS A 28 -10.232 -15.173 -10.663 1.00 0.00 C ATOM 506 O LYS A 28 -10.383 -16.361 -10.949 1.00 0.00 O ATOM 507 CB LYS A 28 -7.949 -14.571 -11.491 1.00 0.00 C ATOM 508 CG LYS A 28 -7.145 -14.073 -12.682 1.00 0.00 C ATOM 509 CD LYS A 28 -6.378 -15.202 -13.351 1.00 0.00 C ATOM 510 CE LYS A 28 -7.308 -16.310 -13.821 1.00 0.00 C ATOM 511 NZ LYS A 28 -6.928 -16.822 -15.166 1.00 0.00 N ATOM 0 H LYS A 28 -8.866 -12.366 -10.853 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.785 -14.409 -12.605 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.545 -14.130 -10.580 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.826 -15.651 -11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.815 -13.609 -13.406 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.447 -13.303 -12.354 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.820 -14.810 -14.201 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.648 -15.611 -12.652 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.289 -17.129 -13.102 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.331 -15.936 -13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.586 -17.575 -15.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.971 -16.046 -15.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.961 -17.202 -15.132 1.00 0.00 H new ATOM 525 N TYR A 29 -10.737 -14.629 -9.557 1.00 0.00 N ATOM 526 CA TYR A 29 -11.512 -15.418 -8.607 1.00 0.00 C ATOM 527 C TYR A 29 -13.004 -15.184 -8.793 1.00 0.00 C ATOM 528 O TYR A 29 -13.817 -16.075 -8.547 1.00 0.00 O ATOM 529 CB TYR A 29 -11.097 -15.093 -7.172 1.00 0.00 C ATOM 530 CG TYR A 29 -9.855 -15.830 -6.736 1.00 0.00 C ATOM 531 CD1 TYR A 29 -8.594 -15.338 -7.037 1.00 0.00 C ATOM 532 CD2 TYR A 29 -9.943 -17.021 -6.028 1.00 0.00 C ATOM 533 CE1 TYR A 29 -7.454 -16.011 -6.647 1.00 0.00 C ATOM 534 CE2 TYR A 29 -8.809 -17.703 -5.634 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.567 -17.193 -5.945 1.00 0.00 C ATOM 536 OH TYR A 29 -6.432 -17.868 -5.555 1.00 0.00 O ATOM 0 H TYR A 29 -10.623 -13.649 -9.299 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.306 -16.471 -8.798 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.926 -14.020 -7.083 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.916 -15.342 -6.498 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.502 -14.412 -7.586 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.915 -17.421 -5.781 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.479 -15.615 -6.890 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.895 -18.630 -5.086 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.619 -18.829 -5.521 1.00 0.00 H new ATOM 546 N ALA A 30 -13.358 -13.987 -9.247 1.00 0.00 N ATOM 547 CA ALA A 30 -14.754 -13.654 -9.483 1.00 0.00 C ATOM 548 C ALA A 30 -15.277 -14.436 -10.679 1.00 0.00 C ATOM 549 O ALA A 30 -16.486 -14.560 -10.880 1.00 0.00 O ATOM 550 CB ALA A 30 -14.913 -12.158 -9.711 1.00 0.00 C ATOM 0 H ALA A 30 -12.700 -13.236 -9.457 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.336 -13.927 -8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.964 -11.926 -9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.564 -11.617 -8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.326 -11.858 -10.579 1.00 0.00 H new ATOM 556 N LYS A 31 -14.346 -14.960 -11.471 1.00 0.00 N ATOM 557 CA LYS A 31 -14.684 -15.733 -12.654 1.00 0.00 C ATOM 558 C LYS A 31 -14.778 -17.221 -12.327 1.00 0.00 C ATOM 559 O LYS A 31 -15.528 -17.961 -12.964 1.00 0.00 O ATOM 560 CB LYS A 31 -13.625 -15.499 -13.727 1.00 0.00 C ATOM 561 CG LYS A 31 -14.203 -15.128 -15.080 1.00 0.00 C ATOM 562 CD LYS A 31 -15.030 -13.854 -15.002 1.00 0.00 C ATOM 563 CE LYS A 31 -14.270 -12.661 -15.560 1.00 0.00 C ATOM 564 NZ LYS A 31 -14.430 -12.542 -17.035 1.00 0.00 N ATOM 0 H LYS A 31 -13.344 -14.860 -11.310 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.658 -15.407 -13.020 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.955 -14.705 -13.397 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.022 -16.401 -13.834 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.394 -14.995 -15.798 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.824 -15.945 -15.448 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.959 -13.987 -15.557 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.304 -13.660 -13.965 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.625 -11.748 -15.081 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.212 -12.758 -15.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.897 -11.717 -17.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.068 -13.402 -17.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.437 -12.424 -17.267 1.00 0.00 H new ATOM 578 N LEU A 32 -14.005 -17.653 -11.333 1.00 0.00 N ATOM 579 CA LEU A 32 -13.991 -19.053 -10.926 1.00 0.00 C ATOM 580 C LEU A 32 -14.894 -19.301 -9.714 1.00 0.00 C ATOM 581 O LEU A 32 -15.041 -20.439 -9.269 1.00 0.00 O ATOM 582 CB LEU A 32 -12.561 -19.491 -10.604 1.00 0.00 C ATOM 583 CG LEU A 32 -12.396 -20.973 -10.257 1.00 0.00 C ATOM 584 CD1 LEU A 32 -11.457 -21.654 -11.240 1.00 0.00 C ATOM 585 CD2 LEU A 32 -11.888 -21.136 -8.831 1.00 0.00 C ATOM 0 H LEU A 32 -13.380 -17.052 -10.795 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.377 -19.642 -11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.926 -19.262 -11.460 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.195 -18.895 -9.768 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.373 -21.451 -10.330 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.354 -22.706 -10.975 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.863 -21.572 -12.248 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.480 -21.173 -11.202 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.777 -22.196 -8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.923 -20.640 -8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.600 -20.688 -8.138 1.00 0.00 H new ATOM 597 N HIS A 33 -15.495 -18.239 -9.180 1.00 0.00 N ATOM 598 CA HIS A 33 -16.375 -18.367 -8.022 1.00 0.00 C ATOM 599 C HIS A 33 -17.764 -17.806 -8.319 1.00 0.00 C ATOM 600 O HIS A 33 -18.275 -16.963 -7.581 1.00 0.00 O ATOM 601 CB HIS A 33 -15.762 -17.661 -6.809 1.00 0.00 C ATOM 602 CG HIS A 33 -14.571 -18.378 -6.255 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.666 -19.361 -5.293 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.252 -18.260 -6.540 1.00 0.00 C ATOM 605 CE1 HIS A 33 -13.459 -19.817 -5.012 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.584 -19.166 -5.754 1.00 0.00 N ATOM 0 H HIS A 33 -15.389 -17.286 -9.529 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.483 -19.428 -7.796 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.471 -16.650 -7.093 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.518 -17.568 -6.029 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.809 -17.580 -7.252 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.227 -20.592 -4.296 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.575 -19.312 -5.745 1.00 0.00 H new ATOM 615 N PRO A 34 -18.398 -18.276 -9.408 1.00 0.00 N ATOM 616 CA PRO A 34 -19.735 -17.825 -9.796 1.00 0.00 C ATOM 617 C PRO A 34 -20.819 -18.398 -8.892 1.00 0.00 C ATOM 618 O PRO A 34 -21.861 -17.776 -8.681 1.00 0.00 O ATOM 619 CB PRO A 34 -19.887 -18.362 -11.220 1.00 0.00 C ATOM 620 CG PRO A 34 -19.026 -19.577 -11.252 1.00 0.00 C ATOM 621 CD PRO A 34 -17.863 -19.288 -10.341 1.00 0.00 C ATOM 0 HA PRO A 34 -19.842 -16.743 -9.720 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -20.926 -18.605 -11.444 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.565 -17.627 -11.958 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.577 -20.454 -10.914 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -18.684 -19.786 -12.266 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.533 -20.184 -9.815 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -17.004 -18.909 -10.895 1.00 0.00 H new ATOM 629 N GLU A 35 -20.566 -19.589 -8.356 1.00 0.00 N ATOM 630 CA GLU A 35 -21.516 -20.246 -7.470 1.00 0.00 C ATOM 631 C GLU A 35 -21.071 -20.145 -6.014 1.00 0.00 C ATOM 632 O GLU A 35 -21.542 -20.891 -5.156 1.00 0.00 O ATOM 633 CB GLU A 35 -21.687 -21.714 -7.868 1.00 0.00 C ATOM 634 CG GLU A 35 -22.746 -22.442 -7.060 1.00 0.00 C ATOM 635 CD GLU A 35 -23.370 -23.596 -7.821 1.00 0.00 C ATOM 636 OE1 GLU A 35 -22.629 -24.531 -8.190 1.00 0.00 O ATOM 637 OE2 GLU A 35 -24.598 -23.564 -8.047 1.00 0.00 O ATOM 0 H GLU A 35 -19.709 -20.117 -8.521 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.475 -19.737 -7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.948 -21.767 -8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.733 -22.228 -7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -22.300 -22.818 -6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -23.526 -21.737 -6.772 1.00 0.00 H new ATOM 644 N MET A 36 -20.169 -19.211 -5.746 1.00 0.00 N ATOM 645 CA MET A 36 -19.662 -18.998 -4.398 1.00 0.00 C ATOM 646 C MET A 36 -19.642 -17.510 -4.073 1.00 0.00 C ATOM 647 O MET A 36 -20.160 -16.692 -4.832 1.00 0.00 O ATOM 648 CB MET A 36 -18.254 -19.580 -4.254 1.00 0.00 C ATOM 649 CG MET A 36 -18.153 -21.041 -4.665 1.00 0.00 C ATOM 650 SD MET A 36 -17.390 -22.072 -3.395 1.00 0.00 S ATOM 651 CE MET A 36 -15.657 -21.890 -3.808 1.00 0.00 C ATOM 0 H MET A 36 -19.772 -18.586 -6.448 1.00 0.00 H new ATOM 0 HA MET A 36 -20.324 -19.508 -3.698 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.564 -18.993 -4.859 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.933 -19.480 -3.217 1.00 0.00 H new ATOM 0 HG2 MET A 36 -19.150 -21.422 -4.885 1.00 0.00 H new ATOM 0 HG3 MET A 36 -17.573 -21.116 -5.585 1.00 0.00 H new ATOM 0 HE1 MET A 36 -15.110 -22.773 -3.478 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.550 -21.778 -4.887 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.255 -21.007 -3.310 1.00 0.00 H new ATOM 661 N SER A 37 -19.041 -17.164 -2.943 1.00 0.00 N ATOM 662 CA SER A 37 -18.953 -15.773 -2.525 1.00 0.00 C ATOM 663 C SER A 37 -17.499 -15.346 -2.380 1.00 0.00 C ATOM 664 O SER A 37 -16.632 -16.158 -2.051 1.00 0.00 O ATOM 665 CB SER A 37 -19.692 -15.568 -1.202 1.00 0.00 C ATOM 666 OG SER A 37 -20.892 -16.322 -1.163 1.00 0.00 O ATOM 0 H SER A 37 -18.608 -17.827 -2.300 1.00 0.00 H new ATOM 0 HA SER A 37 -19.422 -15.156 -3.292 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.048 -15.862 -0.373 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.920 -14.510 -1.070 1.00 0.00 H new ATOM 0 HG SER A 37 -21.344 -16.174 -0.306 1.00 0.00 H new ATOM 672 N ASN A 38 -17.238 -14.063 -2.618 1.00 0.00 N ATOM 673 CA ASN A 38 -15.887 -13.511 -2.509 1.00 0.00 C ATOM 674 C ASN A 38 -15.210 -13.948 -1.210 1.00 0.00 C ATOM 675 O ASN A 38 -13.988 -13.927 -1.100 1.00 0.00 O ATOM 676 CB ASN A 38 -15.942 -11.985 -2.568 1.00 0.00 C ATOM 677 CG ASN A 38 -15.582 -11.446 -3.939 1.00 0.00 C ATOM 678 OD1 ASN A 38 -16.095 -11.913 -4.955 1.00 0.00 O ATOM 679 ND2 ASN A 38 -14.696 -10.458 -3.971 1.00 0.00 N ATOM 0 H ASN A 38 -17.947 -13.382 -2.889 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.301 -13.892 -3.345 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.944 -11.650 -2.300 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.259 -11.571 -1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -14.414 -10.054 -4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -14.297 -10.103 -3.102 1.00 0.00 H new ATOM 686 N LEU A 39 -16.016 -14.340 -0.231 1.00 0.00 N ATOM 687 CA LEU A 39 -15.498 -14.780 1.059 1.00 0.00 C ATOM 688 C LEU A 39 -14.772 -16.115 0.926 1.00 0.00 C ATOM 689 O LEU A 39 -13.746 -16.340 1.565 1.00 0.00 O ATOM 690 CB LEU A 39 -16.636 -14.901 2.074 1.00 0.00 C ATOM 691 CG LEU A 39 -17.419 -13.609 2.327 1.00 0.00 C ATOM 692 CD1 LEU A 39 -18.915 -13.882 2.338 1.00 0.00 C ATOM 693 CD2 LEU A 39 -16.983 -12.969 3.637 1.00 0.00 C ATOM 0 H LEU A 39 -17.033 -14.362 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.786 -14.034 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.330 -15.667 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.223 -15.249 3.021 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.204 -12.914 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -19.453 -12.952 2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.217 -14.294 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.149 -14.596 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.550 -12.052 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -17.167 -13.661 4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.919 -12.735 3.591 1.00 0.00 H new ATOM 705 N ASP A 40 -15.314 -16.997 0.090 1.00 0.00 N ATOM 706 CA ASP A 40 -14.718 -18.308 -0.128 1.00 0.00 C ATOM 707 C ASP A 40 -13.343 -18.178 -0.773 1.00 0.00 C ATOM 708 O ASP A 40 -12.390 -18.842 -0.365 1.00 0.00 O ATOM 709 CB ASP A 40 -15.632 -19.167 -1.006 1.00 0.00 C ATOM 710 CG ASP A 40 -16.662 -19.929 -0.197 1.00 0.00 C ATOM 711 OD1 ASP A 40 -16.972 -19.492 0.931 1.00 0.00 O ATOM 712 OD2 ASP A 40 -17.161 -20.961 -0.692 1.00 0.00 O ATOM 0 H ASP A 40 -16.165 -16.826 -0.446 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.599 -18.793 0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.141 -18.529 -1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.026 -19.873 -1.575 1.00 0.00 H new ATOM 717 N LEU A 41 -13.248 -17.321 -1.782 1.00 0.00 N ATOM 718 CA LEU A 41 -11.987 -17.107 -2.480 1.00 0.00 C ATOM 719 C LEU A 41 -10.985 -16.366 -1.596 1.00 0.00 C ATOM 720 O LEU A 41 -9.775 -16.476 -1.796 1.00 0.00 O ATOM 721 CB LEU A 41 -12.212 -16.345 -3.793 1.00 0.00 C ATOM 722 CG LEU A 41 -13.405 -15.388 -3.820 1.00 0.00 C ATOM 723 CD1 LEU A 41 -13.106 -14.183 -4.697 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.646 -16.107 -4.323 1.00 0.00 C ATOM 0 H LEU A 41 -14.027 -16.764 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.569 -18.086 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.310 -15.775 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.338 -17.073 -4.595 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.588 -15.039 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.967 -13.515 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.238 -13.653 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.898 -14.516 -5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.487 -15.414 -4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.467 -16.480 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.875 -16.943 -3.662 1.00 0.00 H new ATOM 736 N THR A 42 -11.489 -15.618 -0.617 1.00 0.00 N ATOM 737 CA THR A 42 -10.623 -14.874 0.295 1.00 0.00 C ATOM 738 C THR A 42 -9.780 -15.823 1.137 1.00 0.00 C ATOM 739 O THR A 42 -8.656 -15.500 1.515 1.00 0.00 O ATOM 740 CB THR A 42 -11.453 -13.964 1.203 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.332 -13.159 0.439 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.612 -13.038 2.049 1.00 0.00 C ATOM 0 H THR A 42 -12.487 -15.511 -0.435 1.00 0.00 H new ATOM 0 HA THR A 42 -9.955 -14.256 -0.305 1.00 0.00 H new ATOM 0 HB THR A 42 -12.002 -14.638 1.861 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.999 -13.728 0.001 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.262 -12.421 2.669 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.953 -13.626 2.688 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.013 -12.398 1.402 1.00 0.00 H new ATOM 750 N LYS A 43 -10.327 -17.001 1.414 1.00 0.00 N ATOM 751 CA LYS A 43 -9.615 -18.004 2.195 1.00 0.00 C ATOM 752 C LYS A 43 -8.558 -18.678 1.333 1.00 0.00 C ATOM 753 O LYS A 43 -7.506 -19.090 1.821 1.00 0.00 O ATOM 754 CB LYS A 43 -10.582 -19.057 2.749 1.00 0.00 C ATOM 755 CG LYS A 43 -11.972 -18.523 3.057 1.00 0.00 C ATOM 756 CD LYS A 43 -11.934 -17.462 4.146 1.00 0.00 C ATOM 757 CE LYS A 43 -13.199 -17.483 4.990 1.00 0.00 C ATOM 758 NZ LYS A 43 -12.900 -17.679 6.437 1.00 0.00 N ATOM 0 H LYS A 43 -11.259 -17.284 1.110 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.134 -17.504 3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.668 -19.870 2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.158 -19.481 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.409 -18.101 2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.617 -19.344 3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.066 -17.626 4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.814 -16.478 3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.741 -16.547 4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.853 -18.283 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.789 -17.687 6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.406 -18.584 6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.297 -16.902 6.775 1.00 0.00 H new ATOM 772 N ILE A 44 -8.853 -18.782 0.041 1.00 0.00 N ATOM 773 CA ILE A 44 -7.937 -19.401 -0.910 1.00 0.00 C ATOM 774 C ILE A 44 -6.688 -18.551 -1.110 1.00 0.00 C ATOM 775 O ILE A 44 -5.573 -19.068 -1.163 1.00 0.00 O ATOM 776 CB ILE A 44 -8.607 -19.603 -2.283 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.937 -20.338 -2.135 1.00 0.00 C ATOM 778 CG2 ILE A 44 -7.685 -20.366 -3.220 1.00 0.00 C ATOM 779 CD1 ILE A 44 -10.805 -20.241 -3.369 1.00 0.00 C ATOM 0 H ILE A 44 -9.722 -18.444 -0.372 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.661 -20.368 -0.490 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.803 -18.620 -2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.743 -21.388 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.479 -19.929 -1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.175 -20.499 -4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.761 -19.805 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.457 -21.342 -2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.736 -20.783 -3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.027 -19.194 -3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.279 -20.676 -4.219 1.00 0.00 H new ATOM 791 N LEU A 45 -6.888 -17.244 -1.246 1.00 0.00 N ATOM 792 CA LEU A 45 -5.782 -16.322 -1.471 1.00 0.00 C ATOM 793 C LEU A 45 -5.025 -16.013 -0.185 1.00 0.00 C ATOM 794 O LEU A 45 -3.851 -15.648 -0.225 1.00 0.00 O ATOM 795 CB LEU A 45 -6.300 -15.039 -2.113 1.00 0.00 C ATOM 796 CG LEU A 45 -6.581 -15.162 -3.608 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.133 -13.862 -4.171 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.319 -15.580 -4.340 1.00 0.00 C ATOM 0 H LEU A 45 -7.805 -16.800 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.077 -16.804 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.216 -14.735 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.570 -14.245 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.340 -15.930 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.324 -13.979 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.063 -13.611 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.408 -13.062 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.528 -15.665 -5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.542 -14.832 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.979 -16.543 -3.959 1.00 0.00 H new ATOM 810 N SER A 46 -5.686 -16.175 0.954 1.00 0.00 N ATOM 811 CA SER A 46 -5.039 -15.922 2.236 1.00 0.00 C ATOM 812 C SER A 46 -4.048 -17.033 2.552 1.00 0.00 C ATOM 813 O SER A 46 -3.123 -16.855 3.345 1.00 0.00 O ATOM 814 CB SER A 46 -6.082 -15.790 3.348 1.00 0.00 C ATOM 815 OG SER A 46 -5.583 -16.264 4.587 1.00 0.00 O ATOM 0 H SER A 46 -6.658 -16.477 1.018 1.00 0.00 H new ATOM 0 HA SER A 46 -4.493 -14.981 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.377 -14.746 3.449 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.977 -16.350 3.077 1.00 0.00 H new ATOM 0 HG SER A 46 -6.272 -16.165 5.277 1.00 0.00 H new ATOM 821 N LYS A 47 -4.251 -18.178 1.916 1.00 0.00 N ATOM 822 CA LYS A 47 -3.397 -19.327 2.098 1.00 0.00 C ATOM 823 C LYS A 47 -2.215 -19.279 1.134 1.00 0.00 C ATOM 824 O LYS A 47 -1.068 -19.487 1.528 1.00 0.00 O ATOM 825 CB LYS A 47 -4.219 -20.591 1.863 1.00 0.00 C ATOM 826 CG LYS A 47 -4.540 -21.369 3.129 1.00 0.00 C ATOM 827 CD LYS A 47 -3.302 -21.586 3.980 1.00 0.00 C ATOM 828 CE LYS A 47 -2.371 -22.617 3.360 1.00 0.00 C ATOM 829 NZ LYS A 47 -2.981 -23.976 3.334 1.00 0.00 N ATOM 0 H LYS A 47 -5.016 -18.330 1.259 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.001 -19.326 3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.153 -20.318 1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.676 -21.242 1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.290 -20.830 3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.974 -22.333 2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.772 -20.641 4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.598 -21.914 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.119 -22.313 2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.439 -22.649 3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.236 -24.688 3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.470 -24.154 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.664 -24.035 2.552 1.00 0.00 H new ATOM 843 N LYS A 48 -2.508 -19.001 -0.135 1.00 0.00 N ATOM 844 CA LYS A 48 -1.475 -18.923 -1.162 1.00 0.00 C ATOM 845 C LYS A 48 -0.389 -17.929 -0.766 1.00 0.00 C ATOM 846 O LYS A 48 0.772 -18.298 -0.587 1.00 0.00 O ATOM 847 CB LYS A 48 -2.090 -18.523 -2.505 1.00 0.00 C ATOM 848 CG LYS A 48 -2.237 -19.682 -3.476 1.00 0.00 C ATOM 849 CD LYS A 48 -3.677 -19.846 -3.942 1.00 0.00 C ATOM 850 CE LYS A 48 -3.752 -20.094 -5.439 1.00 0.00 C ATOM 851 NZ LYS A 48 -3.878 -21.545 -5.755 1.00 0.00 N ATOM 0 H LYS A 48 -3.454 -18.826 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.019 -19.908 -1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.071 -18.081 -2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.471 -17.752 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.592 -19.518 -4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.902 -20.602 -2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.140 -20.677 -3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.246 -18.951 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.605 -19.556 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.859 -19.694 -5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.926 -21.673 -6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.052 -22.055 -5.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.744 -21.921 -5.319 1.00 0.00 H new ATOM 865 N TYR A 49 -0.775 -16.662 -0.629 1.00 0.00 N ATOM 866 CA TYR A 49 0.156 -15.611 -0.251 1.00 0.00 C ATOM 867 C TYR A 49 1.021 -16.038 0.931 1.00 0.00 C ATOM 868 O TYR A 49 2.225 -15.788 0.955 1.00 0.00 O ATOM 869 CB TYR A 49 -0.611 -14.340 0.096 1.00 0.00 C ATOM 870 CG TYR A 49 0.286 -13.158 0.351 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.912 -12.510 -0.700 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.512 -12.700 1.638 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.743 -11.429 -0.477 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.340 -11.621 1.876 1.00 0.00 C ATOM 875 CZ TYR A 49 1.955 -10.988 0.814 1.00 0.00 C ATOM 876 OH TYR A 49 2.783 -9.914 1.047 1.00 0.00 O ATOM 0 H TYR A 49 -1.732 -16.341 -0.776 1.00 0.00 H new ATOM 0 HA TYR A 49 0.814 -15.418 -1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.293 -14.101 -0.720 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.222 -14.522 0.980 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.748 -12.855 -1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.033 -13.195 2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.223 -10.932 -1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.505 -11.275 2.885 1.00 0.00 H new ATOM 0 HH TYR A 49 2.822 -9.734 2.009 1.00 0.00 H new ATOM 886 N LYS A 50 0.401 -16.687 1.909 1.00 0.00 N ATOM 887 CA LYS A 50 1.121 -17.152 3.089 1.00 0.00 C ATOM 888 C LYS A 50 1.986 -18.358 2.748 1.00 0.00 C ATOM 889 O LYS A 50 3.080 -18.524 3.289 1.00 0.00 O ATOM 890 CB LYS A 50 0.139 -17.512 4.204 1.00 0.00 C ATOM 891 CG LYS A 50 -0.752 -16.356 4.625 1.00 0.00 C ATOM 892 CD LYS A 50 -0.067 -15.471 5.654 1.00 0.00 C ATOM 893 CE LYS A 50 1.007 -14.601 5.018 1.00 0.00 C ATOM 894 NZ LYS A 50 0.938 -13.193 5.499 1.00 0.00 N ATOM 0 H LYS A 50 -0.596 -16.903 1.909 1.00 0.00 H new ATOM 0 HA LYS A 50 1.768 -16.345 3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.487 -18.340 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.699 -17.863 5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.016 -15.762 3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.682 -16.744 5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.808 -14.837 6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.380 -16.093 6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.990 -15.014 5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.895 -14.620 3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.686 -12.633 5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.009 -12.790 5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.070 -13.172 6.530 1.00 0.00 H new ATOM 908 N GLU A 51 1.491 -19.197 1.845 1.00 0.00 N ATOM 909 CA GLU A 51 2.219 -20.388 1.425 1.00 0.00 C ATOM 910 C GLU A 51 3.527 -20.011 0.731 1.00 0.00 C ATOM 911 O GLU A 51 4.477 -20.793 0.712 1.00 0.00 O ATOM 912 CB GLU A 51 1.352 -21.237 0.491 1.00 0.00 C ATOM 913 CG GLU A 51 1.216 -22.684 0.938 1.00 0.00 C ATOM 914 CD GLU A 51 1.029 -23.639 -0.225 1.00 0.00 C ATOM 915 OE1 GLU A 51 0.564 -23.189 -1.294 1.00 0.00 O ATOM 916 OE2 GLU A 51 1.347 -24.835 -0.067 1.00 0.00 O ATOM 0 H GLU A 51 0.587 -19.074 1.389 1.00 0.00 H new ATOM 0 HA GLU A 51 2.459 -20.971 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.360 -20.791 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.780 -21.213 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.104 -22.972 1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.367 -22.773 1.616 1.00 0.00 H new ATOM 923 N LEU A 52 3.567 -18.808 0.164 1.00 0.00 N ATOM 924 CA LEU A 52 4.759 -18.326 -0.526 1.00 0.00 C ATOM 925 C LEU A 52 5.973 -18.349 0.399 1.00 0.00 C ATOM 926 O LEU A 52 5.905 -17.884 1.537 1.00 0.00 O ATOM 927 CB LEU A 52 4.533 -16.908 -1.055 1.00 0.00 C ATOM 928 CG LEU A 52 4.030 -16.828 -2.499 1.00 0.00 C ATOM 929 CD1 LEU A 52 2.643 -16.204 -2.551 1.00 0.00 C ATOM 930 CD2 LEU A 52 5.003 -16.037 -3.361 1.00 0.00 C ATOM 0 H LEU A 52 2.788 -18.150 0.169 1.00 0.00 H new ATOM 0 HA LEU A 52 4.953 -18.992 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.815 -16.405 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.470 -16.355 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 52 3.965 -17.842 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.304 -16.156 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.949 -16.811 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.681 -15.197 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.629 -15.991 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.101 -15.026 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.977 -16.526 -3.353 1.00 0.00 H new ATOM 942 N PRO A 53 7.105 -18.892 -0.083 1.00 0.00 N ATOM 943 CA PRO A 53 8.342 -18.974 0.703 1.00 0.00 C ATOM 944 C PRO A 53 9.021 -17.626 0.893 1.00 0.00 C ATOM 945 O PRO A 53 10.230 -17.559 1.119 1.00 0.00 O ATOM 946 CB PRO A 53 9.251 -19.858 -0.140 1.00 0.00 C ATOM 947 CG PRO A 53 8.731 -19.762 -1.532 1.00 0.00 C ATOM 948 CD PRO A 53 7.261 -19.471 -1.429 1.00 0.00 C ATOM 0 HA PRO A 53 8.134 -19.349 1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.286 -19.520 -0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.233 -20.889 0.214 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.243 -18.973 -2.082 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.904 -20.692 -2.074 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.937 -18.775 -2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.666 -20.377 -1.545 1.00 0.00 H new ATOM 956 N GLU A 54 8.256 -16.559 0.770 1.00 0.00 N ATOM 957 CA GLU A 54 8.793 -15.211 0.898 1.00 0.00 C ATOM 958 C GLU A 54 9.923 -14.990 -0.104 1.00 0.00 C ATOM 959 O GLU A 54 10.656 -14.005 -0.013 1.00 0.00 O ATOM 960 CB GLU A 54 9.296 -14.930 2.324 1.00 0.00 C ATOM 961 CG GLU A 54 9.081 -16.073 3.303 1.00 0.00 C ATOM 962 CD GLU A 54 9.122 -15.619 4.749 1.00 0.00 C ATOM 963 OE1 GLU A 54 8.075 -15.164 5.256 1.00 0.00 O ATOM 964 OE2 GLU A 54 10.198 -15.719 5.374 1.00 0.00 O ATOM 0 H GLU A 54 7.254 -16.596 0.580 1.00 0.00 H new ATOM 0 HA GLU A 54 7.981 -14.516 0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.361 -14.699 2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.792 -14.042 2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.119 -16.543 3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.846 -16.832 3.143 1.00 0.00 H new ATOM 971 N LYS A 55 10.062 -15.906 -1.064 1.00 0.00 N ATOM 972 CA LYS A 55 11.105 -15.784 -2.068 1.00 0.00 C ATOM 973 C LYS A 55 10.663 -14.834 -3.180 1.00 0.00 C ATOM 974 O LYS A 55 11.490 -14.191 -3.828 1.00 0.00 O ATOM 975 CB LYS A 55 11.475 -17.162 -2.634 1.00 0.00 C ATOM 976 CG LYS A 55 10.613 -17.618 -3.804 1.00 0.00 C ATOM 977 CD LYS A 55 11.360 -17.503 -5.127 1.00 0.00 C ATOM 978 CE LYS A 55 11.521 -18.858 -5.798 1.00 0.00 C ATOM 979 NZ LYS A 55 12.410 -19.761 -5.018 1.00 0.00 N ATOM 0 H LYS A 55 9.469 -16.730 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 55 11.995 -15.366 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.517 -17.141 -2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.401 -17.900 -1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.304 -18.652 -3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.705 -17.016 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.821 -16.828 -5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.342 -17.063 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.543 -19.324 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.930 -18.721 -6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.494 -20.674 -5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.351 -19.328 -4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.007 -19.912 -4.071 1.00 0.00 H new ATOM 993 N LYS A 56 9.350 -14.748 -3.387 1.00 0.00 N ATOM 994 CA LYS A 56 8.790 -13.873 -4.412 1.00 0.00 C ATOM 995 C LYS A 56 8.269 -12.583 -3.787 1.00 0.00 C ATOM 996 O LYS A 56 8.255 -11.531 -4.426 1.00 0.00 O ATOM 997 CB LYS A 56 7.657 -14.582 -5.160 1.00 0.00 C ATOM 998 CG LYS A 56 8.139 -15.684 -6.088 1.00 0.00 C ATOM 999 CD LYS A 56 7.072 -16.749 -6.287 1.00 0.00 C ATOM 1000 CE LYS A 56 7.657 -18.150 -6.178 1.00 0.00 C ATOM 1001 NZ LYS A 56 6.748 -19.179 -6.759 1.00 0.00 N ATOM 0 H LYS A 56 8.655 -15.274 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 56 9.582 -13.627 -5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.963 -15.007 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.100 -13.847 -5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.412 -15.256 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.039 -16.141 -5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.286 -16.622 -5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.608 -16.622 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.618 -18.183 -6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.847 -18.384 -5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.183 -20.119 -6.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.840 -19.165 -6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.587 -18.971 -7.765 1.00 0.00 H new ATOM 1015 N LYS A 57 7.847 -12.675 -2.530 1.00 0.00 N ATOM 1016 CA LYS A 57 7.329 -11.524 -1.802 1.00 0.00 C ATOM 1017 C LYS A 57 8.359 -10.408 -1.781 1.00 0.00 C ATOM 1018 O LYS A 57 8.019 -9.231 -1.914 1.00 0.00 O ATOM 1019 CB LYS A 57 6.949 -11.932 -0.381 1.00 0.00 C ATOM 1020 CG LYS A 57 5.914 -13.039 -0.343 1.00 0.00 C ATOM 1021 CD LYS A 57 5.736 -13.595 1.060 1.00 0.00 C ATOM 1022 CE LYS A 57 4.269 -13.797 1.390 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.081 -14.497 2.691 1.00 0.00 N ATOM 0 H LYS A 57 7.854 -13.542 -1.992 1.00 0.00 H new ATOM 0 HA LYS A 57 6.436 -11.157 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.843 -12.259 0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.563 -11.062 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.960 -12.658 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.215 -13.841 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.265 -14.544 1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.183 -12.913 1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.768 -12.829 1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.795 -14.374 0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.411 -15.283 2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.995 -14.870 3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.706 -13.828 3.394 1.00 0.00 H new ATOM 1037 N MET A 58 9.628 -10.783 -1.651 1.00 0.00 N ATOM 1038 CA MET A 58 10.710 -9.812 -1.654 1.00 0.00 C ATOM 1039 C MET A 58 10.561 -8.879 -2.850 1.00 0.00 C ATOM 1040 O MET A 58 10.992 -7.727 -2.817 1.00 0.00 O ATOM 1041 CB MET A 58 12.059 -10.527 -1.712 1.00 0.00 C ATOM 1042 CG MET A 58 12.579 -10.959 -0.349 1.00 0.00 C ATOM 1043 SD MET A 58 14.292 -10.473 -0.067 1.00 0.00 S ATOM 1044 CE MET A 58 15.146 -11.570 -1.196 1.00 0.00 C ATOM 0 H MET A 58 9.929 -11.752 -1.543 1.00 0.00 H new ATOM 0 HA MET A 58 10.664 -9.226 -0.736 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.968 -11.405 -2.352 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.791 -9.867 -2.178 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.951 -10.525 0.429 1.00 0.00 H new ATOM 0 HG3 MET A 58 12.494 -12.042 -0.260 1.00 0.00 H new ATOM 0 HE1 MET A 58 16.219 -11.389 -1.137 1.00 0.00 H new ATOM 0 HE2 MET A 58 14.937 -12.605 -0.926 1.00 0.00 H new ATOM 0 HE3 MET A 58 14.802 -11.384 -2.214 1.00 0.00 H new ATOM 1054 N LYS A 59 9.923 -9.394 -3.900 1.00 0.00 N ATOM 1055 CA LYS A 59 9.684 -8.620 -5.110 1.00 0.00 C ATOM 1056 C LYS A 59 8.501 -7.677 -4.899 1.00 0.00 C ATOM 1057 O LYS A 59 8.600 -6.476 -5.143 1.00 0.00 O ATOM 1058 CB LYS A 59 9.436 -9.563 -6.298 1.00 0.00 C ATOM 1059 CG LYS A 59 8.036 -9.482 -6.894 1.00 0.00 C ATOM 1060 CD LYS A 59 7.906 -10.354 -8.132 1.00 0.00 C ATOM 1061 CE LYS A 59 8.170 -11.818 -7.817 1.00 0.00 C ATOM 1062 NZ LYS A 59 7.224 -12.719 -8.530 1.00 0.00 N ATOM 0 H LYS A 59 9.563 -10.348 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 59 10.565 -8.018 -5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.162 -9.339 -7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.620 -10.588 -5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.304 -9.794 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.808 -8.447 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.905 -10.246 -8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.608 -10.013 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.193 -12.071 -8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.085 -11.979 -6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.438 -13.708 -8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.249 -12.495 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.323 -12.584 -9.556 1.00 0.00 H new ATOM 1076 N TYR A 60 7.387 -8.235 -4.431 1.00 0.00 N ATOM 1077 CA TYR A 60 6.191 -7.444 -4.174 1.00 0.00 C ATOM 1078 C TYR A 60 6.477 -6.375 -3.132 1.00 0.00 C ATOM 1079 O TYR A 60 6.215 -5.193 -3.354 1.00 0.00 O ATOM 1080 CB TYR A 60 5.056 -8.328 -3.676 1.00 0.00 C ATOM 1081 CG TYR A 60 4.559 -9.337 -4.683 1.00 0.00 C ATOM 1082 CD1 TYR A 60 3.576 -8.998 -5.601 1.00 0.00 C ATOM 1083 CD2 TYR A 60 5.063 -10.630 -4.708 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.108 -9.918 -6.517 1.00 0.00 C ATOM 1085 CE2 TYR A 60 4.603 -11.557 -5.622 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.624 -11.198 -6.523 1.00 0.00 C ATOM 1087 OH TYR A 60 3.161 -12.118 -7.435 1.00 0.00 O ATOM 0 H TYR A 60 7.290 -9.229 -4.223 1.00 0.00 H new ATOM 0 HA TYR A 60 5.895 -6.973 -5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.390 -8.858 -2.784 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.223 -7.693 -3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.170 -7.997 -5.599 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.828 -10.916 -4.001 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.342 -9.638 -7.225 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.008 -12.558 -5.631 1.00 0.00 H new ATOM 0 HH TYR A 60 2.283 -12.447 -7.151 1.00 0.00 H new ATOM 1097 N ILE A 61 7.024 -6.795 -1.993 1.00 0.00 N ATOM 1098 CA ILE A 61 7.346 -5.859 -0.926 1.00 0.00 C ATOM 1099 C ILE A 61 8.306 -4.794 -1.445 1.00 0.00 C ATOM 1100 O ILE A 61 8.257 -3.638 -1.026 1.00 0.00 O ATOM 1101 CB ILE A 61 7.964 -6.560 0.307 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.893 -7.339 1.078 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.619 -5.536 1.224 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.315 -8.511 0.315 1.00 0.00 C ATOM 0 H ILE A 61 7.251 -7.768 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 61 6.411 -5.399 -0.606 1.00 0.00 H new ATOM 0 HB ILE A 61 8.722 -7.260 -0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.324 -7.703 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.085 -6.658 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.050 -6.043 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.406 -5.012 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.871 -4.818 1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.565 -9.010 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.852 -8.154 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.111 -9.215 0.071 1.00 0.00 H new ATOM 1116 N GLN A 62 9.161 -5.190 -2.384 1.00 0.00 N ATOM 1117 CA GLN A 62 10.106 -4.268 -2.987 1.00 0.00 C ATOM 1118 C GLN A 62 9.355 -3.303 -3.888 1.00 0.00 C ATOM 1119 O GLN A 62 9.802 -2.182 -4.133 1.00 0.00 O ATOM 1120 CB GLN A 62 11.166 -5.026 -3.788 1.00 0.00 C ATOM 1121 CG GLN A 62 12.421 -5.344 -2.992 1.00 0.00 C ATOM 1122 CD GLN A 62 13.245 -4.109 -2.686 1.00 0.00 C ATOM 1123 OE1 GLN A 62 14.153 -3.754 -3.437 1.00 0.00 O ATOM 1124 NE2 GLN A 62 12.933 -3.449 -1.577 1.00 0.00 N ATOM 0 H GLN A 62 9.215 -6.144 -2.741 1.00 0.00 H new ATOM 0 HA GLN A 62 10.614 -3.712 -2.199 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.734 -5.957 -4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.440 -4.435 -4.662 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.141 -5.830 -2.058 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.031 -6.054 -3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.172 -3.780 -0.984 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.454 -2.611 -1.318 1.00 0.00 H new ATOM 1133 N ASP A 63 8.187 -3.743 -4.357 1.00 0.00 N ATOM 1134 CA ASP A 63 7.352 -2.915 -5.205 1.00 0.00 C ATOM 1135 C ASP A 63 6.469 -2.031 -4.336 1.00 0.00 C ATOM 1136 O ASP A 63 6.136 -0.904 -4.705 1.00 0.00 O ATOM 1137 CB ASP A 63 6.490 -3.781 -6.125 1.00 0.00 C ATOM 1138 CG ASP A 63 6.031 -3.033 -7.361 1.00 0.00 C ATOM 1139 OD1 ASP A 63 5.965 -1.786 -7.309 1.00 0.00 O ATOM 1140 OD2 ASP A 63 5.737 -3.691 -8.381 1.00 0.00 O ATOM 0 H ASP A 63 7.804 -4.668 -4.160 1.00 0.00 H new ATOM 0 HA ASP A 63 7.991 -2.289 -5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.057 -4.662 -6.426 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.619 -4.136 -5.574 1.00 0.00 H new ATOM 1145 N PHE A 64 6.111 -2.555 -3.166 1.00 0.00 N ATOM 1146 CA PHE A 64 5.285 -1.831 -2.215 1.00 0.00 C ATOM 1147 C PHE A 64 6.116 -0.770 -1.499 1.00 0.00 C ATOM 1148 O PHE A 64 5.671 0.360 -1.305 1.00 0.00 O ATOM 1149 CB PHE A 64 4.677 -2.822 -1.211 1.00 0.00 C ATOM 1150 CG PHE A 64 4.712 -2.364 0.220 1.00 0.00 C ATOM 1151 CD1 PHE A 64 3.735 -1.520 0.716 1.00 0.00 C ATOM 1152 CD2 PHE A 64 5.724 -2.786 1.064 1.00 0.00 C ATOM 1153 CE1 PHE A 64 3.767 -1.100 2.033 1.00 0.00 C ATOM 1154 CE2 PHE A 64 5.762 -2.371 2.384 1.00 0.00 C ATOM 1155 CZ PHE A 64 4.782 -1.527 2.867 1.00 0.00 C ATOM 0 H PHE A 64 6.385 -3.487 -2.856 1.00 0.00 H new ATOM 0 HA PHE A 64 4.476 -1.326 -2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.642 -3.014 -1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.209 -3.770 -1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.939 -1.185 0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.492 -3.446 0.689 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.000 -0.439 2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.556 -2.707 3.034 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.809 -1.201 3.896 1.00 0.00 H new ATOM 1165 N GLN A 65 7.328 -1.151 -1.106 1.00 0.00 N ATOM 1166 CA GLN A 65 8.231 -0.245 -0.408 1.00 0.00 C ATOM 1167 C GLN A 65 8.713 0.868 -1.331 1.00 0.00 C ATOM 1168 O GLN A 65 8.751 2.037 -0.944 1.00 0.00 O ATOM 1169 CB GLN A 65 9.429 -1.019 0.146 1.00 0.00 C ATOM 1170 CG GLN A 65 9.084 -1.901 1.336 1.00 0.00 C ATOM 1171 CD GLN A 65 9.820 -1.495 2.598 1.00 0.00 C ATOM 1172 OE1 GLN A 65 10.229 -0.344 2.749 1.00 0.00 O ATOM 1173 NE2 GLN A 65 9.992 -2.443 3.513 1.00 0.00 N ATOM 0 H GLN A 65 7.707 -2.085 -1.260 1.00 0.00 H new ATOM 0 HA GLN A 65 7.683 0.209 0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.849 -1.639 -0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 65 10.204 -0.311 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.010 -1.857 1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.325 -2.937 1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.636 -3.384 3.345 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.480 -2.230 4.383 1.00 0.00 H new ATOM 1182 N ARG A 66 9.082 0.500 -2.556 1.00 0.00 N ATOM 1183 CA ARG A 66 9.563 1.470 -3.535 1.00 0.00 C ATOM 1184 C ARG A 66 8.586 2.633 -3.682 1.00 0.00 C ATOM 1185 O ARG A 66 8.981 3.750 -4.016 1.00 0.00 O ATOM 1186 CB ARG A 66 9.777 0.794 -4.890 1.00 0.00 C ATOM 1187 CG ARG A 66 11.180 0.239 -5.079 1.00 0.00 C ATOM 1188 CD ARG A 66 11.973 1.053 -6.089 1.00 0.00 C ATOM 1189 NE ARG A 66 11.822 0.537 -7.447 1.00 0.00 N ATOM 1190 CZ ARG A 66 12.188 1.206 -8.539 1.00 0.00 C ATOM 1191 NH1 ARG A 66 12.727 2.414 -8.436 1.00 0.00 N ATOM 1192 NH2 ARG A 66 12.015 0.664 -9.737 1.00 0.00 N ATOM 0 H ARG A 66 9.057 -0.462 -2.893 1.00 0.00 H new ATOM 0 HA ARG A 66 10.514 1.865 -3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.057 -0.017 -5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.570 1.514 -5.682 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.703 0.236 -4.122 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.120 -0.797 -5.413 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.643 2.091 -6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.028 1.045 -5.813 1.00 0.00 H new ATOM 0 HE ARG A 66 11.412 -0.390 -7.566 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.863 2.835 -7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.005 2.922 -9.276 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.602 -0.265 -9.822 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.295 1.176 -10.574 1.00 0.00 H new ATOM 1206 N GLU A 67 7.310 2.365 -3.428 1.00 0.00 N ATOM 1207 CA GLU A 67 6.278 3.389 -3.529 1.00 0.00 C ATOM 1208 C GLU A 67 5.993 4.007 -2.166 1.00 0.00 C ATOM 1209 O GLU A 67 6.129 5.217 -1.979 1.00 0.00 O ATOM 1210 CB GLU A 67 4.994 2.795 -4.112 1.00 0.00 C ATOM 1211 CG GLU A 67 5.198 2.095 -5.446 1.00 0.00 C ATOM 1212 CD GLU A 67 5.004 3.023 -6.627 1.00 0.00 C ATOM 1213 OE1 GLU A 67 5.991 3.661 -7.051 1.00 0.00 O ATOM 1214 OE2 GLU A 67 3.864 3.114 -7.130 1.00 0.00 O ATOM 0 H GLU A 67 6.966 1.446 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 67 6.641 4.172 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.576 2.085 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.260 3.591 -4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.203 1.674 -5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.500 1.262 -5.525 1.00 0.00 H new ATOM 1221 N LYS A 68 5.594 3.170 -1.213 1.00 0.00 N ATOM 1222 CA LYS A 68 5.285 3.630 0.137 1.00 0.00 C ATOM 1223 C LYS A 68 6.429 4.450 0.714 1.00 0.00 C ATOM 1224 O LYS A 68 6.257 5.615 1.072 1.00 0.00 O ATOM 1225 CB LYS A 68 4.981 2.439 1.050 1.00 0.00 C ATOM 1226 CG LYS A 68 3.624 2.522 1.730 1.00 0.00 C ATOM 1227 CD LYS A 68 3.463 3.823 2.501 1.00 0.00 C ATOM 1228 CE LYS A 68 2.125 4.484 2.207 1.00 0.00 C ATOM 1229 NZ LYS A 68 0.981 3.665 2.694 1.00 0.00 N ATOM 0 H LYS A 68 5.477 2.166 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 68 4.403 4.268 0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.028 1.521 0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.756 2.370 1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.836 2.442 0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.505 1.678 2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.546 3.626 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.272 4.505 2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.094 5.466 2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.027 4.642 1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.088 4.151 2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.995 2.736 2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.060 3.535 3.723 1.00 0.00 H new ATOM 1243 N GLN A 69 7.592 3.830 0.799 1.00 0.00 N ATOM 1244 CA GLN A 69 8.779 4.483 1.329 1.00 0.00 C ATOM 1245 C GLN A 69 8.987 5.859 0.702 1.00 0.00 C ATOM 1246 O GLN A 69 9.099 6.863 1.406 1.00 0.00 O ATOM 1247 CB GLN A 69 9.991 3.602 1.065 1.00 0.00 C ATOM 1248 CG GLN A 69 11.080 3.724 2.118 1.00 0.00 C ATOM 1249 CD GLN A 69 12.432 3.256 1.615 1.00 0.00 C ATOM 1250 OE1 GLN A 69 12.923 2.199 2.010 1.00 0.00 O ATOM 1251 NE2 GLN A 69 13.043 4.047 0.740 1.00 0.00 N ATOM 0 H GLN A 69 7.742 2.865 0.505 1.00 0.00 H new ATOM 0 HA GLN A 69 8.647 4.626 2.401 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.668 2.563 1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.410 3.858 0.092 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.155 4.763 2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.800 3.139 2.994 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.599 4.915 0.440 1.00 0.00 H new ATOM 0 HE22 GLN A 69 13.956 3.787 0.368 1.00 0.00 H new ATOM 1260 N GLU A 70 9.038 5.899 -0.627 1.00 0.00 N ATOM 1261 CA GLU A 70 9.234 7.151 -1.347 1.00 0.00 C ATOM 1262 C GLU A 70 8.070 8.108 -1.107 1.00 0.00 C ATOM 1263 O GLU A 70 8.265 9.317 -0.982 1.00 0.00 O ATOM 1264 CB GLU A 70 9.391 6.880 -2.846 1.00 0.00 C ATOM 1265 CG GLU A 70 10.731 7.328 -3.407 1.00 0.00 C ATOM 1266 CD GLU A 70 10.619 8.572 -4.266 1.00 0.00 C ATOM 1267 OE1 GLU A 70 9.850 9.482 -3.896 1.00 0.00 O ATOM 1268 OE2 GLU A 70 11.301 8.635 -5.311 1.00 0.00 O ATOM 0 H GLU A 70 8.946 5.078 -1.226 1.00 0.00 H new ATOM 0 HA GLU A 70 10.144 7.619 -0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.268 5.812 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.592 7.389 -3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.419 7.521 -2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.161 6.520 -3.999 1.00 0.00 H new ATOM 1275 N PHE A 71 6.861 7.560 -1.044 1.00 0.00 N ATOM 1276 CA PHE A 71 5.667 8.367 -0.820 1.00 0.00 C ATOM 1277 C PHE A 71 5.655 8.944 0.593 1.00 0.00 C ATOM 1278 O PHE A 71 5.138 10.037 0.825 1.00 0.00 O ATOM 1279 CB PHE A 71 4.406 7.534 -1.064 1.00 0.00 C ATOM 1280 CG PHE A 71 3.859 7.676 -2.455 1.00 0.00 C ATOM 1281 CD1 PHE A 71 3.376 8.894 -2.902 1.00 0.00 C ATOM 1282 CD2 PHE A 71 3.830 6.590 -3.318 1.00 0.00 C ATOM 1283 CE1 PHE A 71 2.876 9.028 -4.184 1.00 0.00 C ATOM 1284 CE2 PHE A 71 3.330 6.720 -4.599 1.00 0.00 C ATOM 1285 CZ PHE A 71 2.853 7.940 -5.033 1.00 0.00 C ATOM 0 H PHE A 71 6.682 6.561 -1.145 1.00 0.00 H new ATOM 0 HA PHE A 71 5.682 9.197 -1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.630 6.484 -0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.639 7.830 -0.348 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.390 9.749 -2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.202 5.633 -2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.503 9.984 -4.521 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.312 5.867 -5.261 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.463 8.043 -6.035 1.00 0.00 H new ATOM 1295 N GLU A 72 6.225 8.201 1.537 1.00 0.00 N ATOM 1296 CA GLU A 72 6.280 8.641 2.927 1.00 0.00 C ATOM 1297 C GLU A 72 7.651 9.222 3.283 1.00 0.00 C ATOM 1298 O GLU A 72 7.880 9.632 4.421 1.00 0.00 O ATOM 1299 CB GLU A 72 5.954 7.474 3.861 1.00 0.00 C ATOM 1300 CG GLU A 72 6.993 6.364 3.833 1.00 0.00 C ATOM 1301 CD GLU A 72 6.412 5.009 4.187 1.00 0.00 C ATOM 1302 OE1 GLU A 72 5.177 4.914 4.346 1.00 0.00 O ATOM 1303 OE2 GLU A 72 7.194 4.041 4.307 1.00 0.00 O ATOM 0 H GLU A 72 6.655 7.292 1.365 1.00 0.00 H new ATOM 0 HA GLU A 72 5.538 9.429 3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.863 7.850 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.984 7.060 3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.439 6.315 2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.795 6.605 4.531 1.00 0.00 H new ATOM 1310 N ARG A 73 8.564 9.244 2.313 1.00 0.00 N ATOM 1311 CA ARG A 73 9.908 9.763 2.545 1.00 0.00 C ATOM 1312 C ARG A 73 9.932 11.292 2.512 1.00 0.00 C ATOM 1313 O ARG A 73 9.876 11.942 3.555 1.00 0.00 O ATOM 1314 CB ARG A 73 10.883 9.194 1.509 1.00 0.00 C ATOM 1315 CG ARG A 73 11.840 8.161 2.079 1.00 0.00 C ATOM 1316 CD ARG A 73 13.283 8.636 2.007 1.00 0.00 C ATOM 1317 NE ARG A 73 14.105 8.061 3.071 1.00 0.00 N ATOM 1318 CZ ARG A 73 14.603 6.827 3.039 1.00 0.00 C ATOM 1319 NH1 ARG A 73 14.365 6.033 2.003 1.00 0.00 N ATOM 1320 NH2 ARG A 73 15.342 6.386 4.048 1.00 0.00 N ATOM 0 H ARG A 73 8.397 8.910 1.364 1.00 0.00 H new ATOM 0 HA ARG A 73 10.220 9.446 3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.314 8.741 0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.459 10.012 1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.576 7.953 3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.736 7.225 1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.705 8.367 1.038 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.310 9.723 2.076 1.00 0.00 H new ATOM 0 HE ARG A 73 14.309 8.640 3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.797 6.367 1.224 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.750 5.089 1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.528 6.992 4.847 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.724 5.441 4.025 1.00 0.00 H new ATOM 1334 N ASN A 74 10.025 11.860 1.312 1.00 0.00 N ATOM 1335 CA ASN A 74 10.068 13.312 1.155 1.00 0.00 C ATOM 1336 C ASN A 74 8.693 13.872 0.802 1.00 0.00 C ATOM 1337 O ASN A 74 8.406 15.041 1.061 1.00 0.00 O ATOM 1338 CB ASN A 74 11.080 13.698 0.076 1.00 0.00 C ATOM 1339 CG ASN A 74 10.807 13.009 -1.247 1.00 0.00 C ATOM 1340 OD1 ASN A 74 11.171 11.849 -1.443 1.00 0.00 O ATOM 1341 ND2 ASN A 74 10.163 13.721 -2.163 1.00 0.00 N ATOM 0 H ASN A 74 10.072 11.339 0.436 1.00 0.00 H new ATOM 0 HA ASN A 74 10.376 13.742 2.108 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.058 14.778 -0.069 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.084 13.442 0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.951 13.310 -3.072 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.880 14.679 -1.958 1.00 0.00 H new ATOM 1348 N LEU A 75 7.847 13.035 0.210 1.00 0.00 N ATOM 1349 CA LEU A 75 6.503 13.452 -0.175 1.00 0.00 C ATOM 1350 C LEU A 75 5.729 14.001 1.024 1.00 0.00 C ATOM 1351 O LEU A 75 4.765 14.750 0.859 1.00 0.00 O ATOM 1352 CB LEU A 75 5.745 12.279 -0.801 1.00 0.00 C ATOM 1353 CG LEU A 75 5.643 12.317 -2.329 1.00 0.00 C ATOM 1354 CD1 LEU A 75 6.611 11.321 -2.954 1.00 0.00 C ATOM 1355 CD2 LEU A 75 4.215 12.034 -2.778 1.00 0.00 C ATOM 0 H LEU A 75 8.068 12.065 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 75 6.595 14.251 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.235 11.351 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.738 12.253 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 75 5.915 13.317 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.525 11.362 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.631 11.572 -2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.372 10.315 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.163 12.065 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.913 11.047 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.546 12.787 -2.361 1.00 0.00 H new ATOM 1367 N ALA A 76 6.157 13.627 2.227 1.00 0.00 N ATOM 1368 CA ALA A 76 5.503 14.084 3.449 1.00 0.00 C ATOM 1369 C ALA A 76 5.477 15.610 3.533 1.00 0.00 C ATOM 1370 O ALA A 76 4.681 16.183 4.277 1.00 0.00 O ATOM 1371 CB ALA A 76 6.201 13.500 4.668 1.00 0.00 C ATOM 0 H ALA A 76 6.954 13.009 2.381 1.00 0.00 H new ATOM 0 HA ALA A 76 4.471 13.735 3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.704 13.848 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.157 12.412 4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.243 13.821 4.679 1.00 0.00 H new ATOM 1377 N ARG A 77 6.349 16.264 2.767 1.00 0.00 N ATOM 1378 CA ARG A 77 6.420 17.722 2.759 1.00 0.00 C ATOM 1379 C ARG A 77 5.239 18.340 2.003 1.00 0.00 C ATOM 1380 O ARG A 77 5.139 19.561 1.892 1.00 0.00 O ATOM 1381 CB ARG A 77 7.740 18.183 2.135 1.00 0.00 C ATOM 1382 CG ARG A 77 8.563 19.077 3.047 1.00 0.00 C ATOM 1383 CD ARG A 77 8.604 20.510 2.541 1.00 0.00 C ATOM 1384 NE ARG A 77 7.343 21.208 2.775 1.00 0.00 N ATOM 1385 CZ ARG A 77 7.215 22.535 2.758 1.00 0.00 C ATOM 1386 NH1 ARG A 77 8.268 23.306 2.516 1.00 0.00 N ATOM 1387 NH2 ARG A 77 6.032 23.089 2.979 1.00 0.00 N ATOM 0 H ARG A 77 7.015 15.806 2.145 1.00 0.00 H new ATOM 0 HA ARG A 77 6.371 18.062 3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.332 17.307 1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.528 18.719 1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.142 19.058 4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.578 18.687 3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.413 21.047 3.037 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.827 20.512 1.474 1.00 0.00 H new ATOM 0 HE ARG A 77 6.512 20.648 2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.180 22.884 2.342 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.165 24.321 2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.219 22.500 3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 77 5.934 24.104 2.966 1.00 0.00 H new ATOM 1401 N PHE A 78 4.350 17.493 1.483 1.00 0.00 N ATOM 1402 CA PHE A 78 3.186 17.965 0.739 1.00 0.00 C ATOM 1403 C PHE A 78 2.270 18.835 1.607 1.00 0.00 C ATOM 1404 O PHE A 78 1.363 19.486 1.087 1.00 0.00 O ATOM 1405 CB PHE A 78 2.402 16.774 0.176 1.00 0.00 C ATOM 1406 CG PHE A 78 1.520 16.089 1.186 1.00 0.00 C ATOM 1407 CD1 PHE A 78 2.070 15.348 2.219 1.00 0.00 C ATOM 1408 CD2 PHE A 78 0.141 16.191 1.098 1.00 0.00 C ATOM 1409 CE1 PHE A 78 1.260 14.721 3.148 1.00 0.00 C ATOM 1410 CE2 PHE A 78 -0.674 15.566 2.024 1.00 0.00 C ATOM 1411 CZ PHE A 78 -0.112 14.830 3.050 1.00 0.00 C ATOM 0 H PHE A 78 4.415 16.478 1.564 1.00 0.00 H new ATOM 0 HA PHE A 78 3.548 18.583 -0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.786 17.118 -0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.106 16.047 -0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.143 15.259 2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.302 16.765 0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.701 14.147 3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.748 15.653 1.946 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.746 14.341 3.774 1.00 0.00 H new ATOM 1421 N ARG A 79 2.508 18.831 2.924 1.00 0.00 N ATOM 1422 CA ARG A 79 1.709 19.611 3.878 1.00 0.00 C ATOM 1423 C ARG A 79 0.997 20.788 3.212 1.00 0.00 C ATOM 1424 O ARG A 79 -0.227 20.791 3.081 1.00 0.00 O ATOM 1425 CB ARG A 79 2.599 20.124 5.012 1.00 0.00 C ATOM 1426 CG ARG A 79 2.773 19.130 6.148 1.00 0.00 C ATOM 1427 CD ARG A 79 3.817 19.605 7.148 1.00 0.00 C ATOM 1428 NE ARG A 79 3.750 18.860 8.403 1.00 0.00 N ATOM 1429 CZ ARG A 79 4.601 19.032 9.413 1.00 0.00 C ATOM 1430 NH1 ARG A 79 5.582 19.921 9.318 1.00 0.00 N ATOM 1431 NH2 ARG A 79 4.470 18.315 10.519 1.00 0.00 N ATOM 0 H ARG A 79 3.256 18.290 3.357 1.00 0.00 H new ATOM 0 HA ARG A 79 0.944 18.945 4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.579 20.375 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.172 21.045 5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.820 18.986 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.068 18.162 5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.811 19.496 6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.671 20.667 7.348 1.00 0.00 H new ATOM 0 HE ARG A 79 3.009 18.168 8.512 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.687 20.476 8.469 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.231 20.049 10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.717 17.631 10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.122 18.447 11.292 1.00 0.00 H new ATOM 1445 N GLU A 80 1.770 21.781 2.787 1.00 0.00 N ATOM 1446 CA GLU A 80 1.208 22.955 2.129 1.00 0.00 C ATOM 1447 C GLU A 80 1.360 22.850 0.611 1.00 0.00 C ATOM 1448 O GLU A 80 0.477 22.332 -0.071 1.00 0.00 O ATOM 1449 CB GLU A 80 1.878 24.231 2.650 1.00 0.00 C ATOM 1450 CG GLU A 80 1.073 24.945 3.723 1.00 0.00 C ATOM 1451 CD GLU A 80 1.581 24.655 5.122 1.00 0.00 C ATOM 1452 OE1 GLU A 80 1.138 23.651 5.719 1.00 0.00 O ATOM 1453 OE2 GLU A 80 2.420 25.432 5.622 1.00 0.00 O ATOM 0 H GLU A 80 2.785 21.797 2.886 1.00 0.00 H new ATOM 0 HA GLU A 80 0.144 23.002 2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.859 23.978 3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.041 24.913 1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.107 26.020 3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.028 24.643 3.650 1.00 0.00 H new ATOM 1460 N ASP A 81 2.487 23.336 0.087 1.00 0.00 N ATOM 1461 CA ASP A 81 2.754 23.290 -1.350 1.00 0.00 C ATOM 1462 C ASP A 81 1.527 23.696 -2.163 1.00 0.00 C ATOM 1463 O ASP A 81 1.327 23.226 -3.282 1.00 0.00 O ATOM 1464 CB ASP A 81 3.208 21.884 -1.757 1.00 0.00 C ATOM 1465 CG ASP A 81 4.457 21.906 -2.615 1.00 0.00 C ATOM 1466 OD1 ASP A 81 4.326 21.986 -3.854 1.00 0.00 O ATOM 1467 OD2 ASP A 81 5.569 21.843 -2.047 1.00 0.00 O ATOM 0 H ASP A 81 3.230 23.766 0.638 1.00 0.00 H new ATOM 0 HA ASP A 81 3.549 24.005 -1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.396 21.292 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.404 21.389 -2.303 1.00 0.00 H new ATOM 1472 N HIS A 82 0.703 24.570 -1.589 1.00 0.00 N ATOM 1473 CA HIS A 82 -0.505 25.034 -2.261 1.00 0.00 C ATOM 1474 C HIS A 82 -1.430 23.861 -2.587 1.00 0.00 C ATOM 1475 O HIS A 82 -1.260 23.193 -3.607 1.00 0.00 O ATOM 1476 CB HIS A 82 -0.145 25.784 -3.545 1.00 0.00 C ATOM 1477 CG HIS A 82 -1.326 26.402 -4.229 1.00 0.00 C ATOM 1478 ND1 HIS A 82 -2.169 27.301 -3.611 1.00 0.00 N ATOM 1479 CD2 HIS A 82 -1.805 26.243 -5.487 1.00 0.00 C ATOM 1480 CE1 HIS A 82 -3.116 27.669 -4.457 1.00 0.00 C ATOM 1481 NE2 HIS A 82 -2.916 27.041 -5.601 1.00 0.00 N ATOM 0 H HIS A 82 0.851 24.969 -0.662 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.028 25.712 -1.587 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.578 26.565 -3.309 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.344 25.095 -4.234 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.390 25.608 -6.256 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.916 28.364 -4.248 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.494 27.134 -6.436 1.00 0.00 H new ATOM 1490 N PRO A 83 -2.425 23.593 -1.721 1.00 0.00 N ATOM 1491 CA PRO A 83 -3.373 22.491 -1.924 1.00 0.00 C ATOM 1492 C PRO A 83 -3.953 22.473 -3.335 1.00 0.00 C ATOM 1493 O PRO A 83 -4.693 23.375 -3.725 1.00 0.00 O ATOM 1494 CB PRO A 83 -4.470 22.780 -0.897 1.00 0.00 C ATOM 1495 CG PRO A 83 -3.778 23.523 0.191 1.00 0.00 C ATOM 1496 CD PRO A 83 -2.702 24.336 -0.477 1.00 0.00 C ATOM 0 HA PRO A 83 -2.899 21.517 -1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.275 23.373 -1.332 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.918 21.858 -0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.475 24.166 0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.350 22.836 0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.038 25.352 -0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.813 24.415 0.149 1.00 0.00 H new ATOM 1504 N ASP A 84 -3.610 21.437 -4.094 1.00 0.00 N ATOM 1505 CA ASP A 84 -4.095 21.297 -5.464 1.00 0.00 C ATOM 1506 C ASP A 84 -3.582 20.005 -6.092 1.00 0.00 C ATOM 1507 O ASP A 84 -4.308 19.324 -6.816 1.00 0.00 O ATOM 1508 CB ASP A 84 -3.658 22.496 -6.308 1.00 0.00 C ATOM 1509 CG ASP A 84 -4.720 22.919 -7.305 1.00 0.00 C ATOM 1510 OD1 ASP A 84 -5.815 23.331 -6.867 1.00 0.00 O ATOM 1511 OD2 ASP A 84 -4.456 22.839 -8.523 1.00 0.00 O ATOM 0 H ASP A 84 -2.998 20.682 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.184 21.260 -5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.426 23.334 -5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.741 22.246 -6.842 1.00 0.00 H new ATOM 1516 N LEU A 85 -2.326 19.675 -5.812 1.00 0.00 N ATOM 1517 CA LEU A 85 -1.711 18.466 -6.349 1.00 0.00 C ATOM 1518 C LEU A 85 -1.229 17.556 -5.223 1.00 0.00 C ATOM 1519 O LEU A 85 -1.607 17.738 -4.066 1.00 0.00 O ATOM 1520 CB LEU A 85 -0.544 18.831 -7.270 1.00 0.00 C ATOM 1521 CG LEU A 85 0.680 19.420 -6.565 1.00 0.00 C ATOM 1522 CD1 LEU A 85 1.962 18.946 -7.232 1.00 0.00 C ATOM 1523 CD2 LEU A 85 0.610 20.940 -6.557 1.00 0.00 C ATOM 0 H LEU A 85 -1.712 20.229 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.462 17.927 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.236 17.937 -7.812 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.897 19.548 -8.011 1.00 0.00 H new ATOM 0 HG LEU A 85 0.683 19.071 -5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.821 19.376 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.017 17.858 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.969 19.264 -8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.488 21.342 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.581 21.308 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.289 21.260 -6.031 1.00 0.00 H new ATOM 1535 N ILE A 86 -0.394 16.577 -5.575 1.00 0.00 N ATOM 1536 CA ILE A 86 0.156 15.624 -4.609 1.00 0.00 C ATOM 1537 C ILE A 86 -0.908 15.126 -3.627 1.00 0.00 C ATOM 1538 O ILE A 86 -1.311 15.840 -2.711 1.00 0.00 O ATOM 1539 CB ILE A 86 1.360 16.220 -3.838 1.00 0.00 C ATOM 1540 CG1 ILE A 86 2.057 15.137 -3.004 1.00 0.00 C ATOM 1541 CG2 ILE A 86 0.940 17.398 -2.964 1.00 0.00 C ATOM 1542 CD1 ILE A 86 1.306 14.731 -1.751 1.00 0.00 C ATOM 0 H ILE A 86 -0.081 16.422 -6.533 1.00 0.00 H new ATOM 0 HA ILE A 86 0.509 14.769 -5.186 1.00 0.00 H new ATOM 0 HB ILE A 86 2.071 16.598 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.204 14.255 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.047 15.495 -2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.811 17.790 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.511 18.181 -3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.197 17.066 -2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.869 13.962 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.182 15.599 -1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.326 14.339 -2.025 1.00 0.00 H new ATOM 1554 N GLN A 87 -1.355 13.887 -3.836 1.00 0.00 N ATOM 1555 CA GLN A 87 -2.376 13.258 -2.989 1.00 0.00 C ATOM 1556 C GLN A 87 -3.785 13.595 -3.471 1.00 0.00 C ATOM 1557 O GLN A 87 -4.693 12.767 -3.378 1.00 0.00 O ATOM 1558 CB GLN A 87 -2.213 13.673 -1.520 1.00 0.00 C ATOM 1559 CG GLN A 87 -2.442 12.536 -0.537 1.00 0.00 C ATOM 1560 CD GLN A 87 -1.519 12.609 0.662 1.00 0.00 C ATOM 1561 OE1 GLN A 87 -0.455 13.228 0.606 1.00 0.00 O ATOM 1562 NE2 GLN A 87 -1.922 11.979 1.759 1.00 0.00 N ATOM 0 H GLN A 87 -1.022 13.291 -4.594 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.234 12.180 -3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.209 14.072 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.912 14.479 -1.299 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.477 12.558 -0.196 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.295 11.584 -1.047 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.811 11.478 1.762 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.343 11.996 2.599 1.00 0.00 H new ATOM 1571 N ASN A 88 -3.969 14.807 -3.985 1.00 0.00 N ATOM 1572 CA ASN A 88 -5.271 15.239 -4.478 1.00 0.00 C ATOM 1573 C ASN A 88 -5.490 14.771 -5.916 1.00 0.00 C ATOM 1574 O ASN A 88 -5.726 15.577 -6.816 1.00 0.00 O ATOM 1575 CB ASN A 88 -5.393 16.762 -4.387 1.00 0.00 C ATOM 1576 CG ASN A 88 -6.574 17.198 -3.540 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -7.635 17.538 -4.063 1.00 0.00 O ATOM 1578 ND2 ASN A 88 -6.393 17.191 -2.225 1.00 0.00 N ATOM 0 H ASN A 88 -3.232 15.507 -4.071 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.042 14.788 -3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.476 17.173 -3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.496 17.176 -5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.151 17.475 -1.604 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.496 16.901 -1.835 1.00 0.00 H new ATOM 1585 N ALA A 89 -5.408 13.461 -6.123 1.00 0.00 N ATOM 1586 CA ALA A 89 -5.594 12.885 -7.448 1.00 0.00 C ATOM 1587 C ALA A 89 -7.068 12.875 -7.841 1.00 0.00 C ATOM 1588 O ALA A 89 -7.886 12.207 -7.208 1.00 0.00 O ATOM 1589 CB ALA A 89 -5.027 11.474 -7.493 1.00 0.00 C ATOM 0 H ALA A 89 -5.214 12.779 -5.390 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.057 13.506 -8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.172 11.055 -8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.962 11.502 -7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.540 10.852 -6.759 1.00 0.00 H new ATOM 1595 N LYS A 90 -7.399 13.621 -8.890 1.00 0.00 N ATOM 1596 CA LYS A 90 -8.774 13.699 -9.369 1.00 0.00 C ATOM 1597 C LYS A 90 -8.830 13.541 -10.885 1.00 0.00 C ATOM 1598 O LYS A 90 -8.086 14.195 -11.615 1.00 0.00 O ATOM 1599 CB LYS A 90 -9.405 15.030 -8.953 1.00 0.00 C ATOM 1600 CG LYS A 90 -10.597 14.874 -8.023 1.00 0.00 C ATOM 1601 CD LYS A 90 -11.643 15.949 -8.272 1.00 0.00 C ATOM 1602 CE LYS A 90 -12.962 15.606 -7.601 1.00 0.00 C ATOM 1603 NZ LYS A 90 -12.929 15.880 -6.137 1.00 0.00 N ATOM 0 H LYS A 90 -6.734 14.180 -9.424 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.340 12.883 -8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.649 15.643 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.720 15.568 -9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.044 13.890 -8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.261 14.925 -6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.280 16.906 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.798 16.066 -9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.764 16.184 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.191 14.554 -7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.848 15.633 -5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.181 15.310 -5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.736 16.889 -5.977 1.00 0.00 H new ATOM 1617 N LYS A 91 -9.719 12.671 -11.352 1.00 0.00 N ATOM 1618 CA LYS A 91 -9.872 12.427 -12.782 1.00 0.00 C ATOM 1619 C LYS A 91 -11.271 12.812 -13.252 1.00 0.00 C ATOM 1620 O LYS A 91 -12.110 13.157 -12.392 1.00 0.00 O ATOM 1621 CB LYS A 91 -9.603 10.956 -13.102 1.00 0.00 C ATOM 1622 CG LYS A 91 -10.393 9.991 -12.235 1.00 0.00 C ATOM 1623 CD LYS A 91 -10.790 8.743 -13.009 1.00 0.00 C ATOM 1624 CE LYS A 91 -12.049 8.972 -13.828 1.00 0.00 C ATOM 1625 NZ LYS A 91 -12.352 7.818 -14.718 1.00 0.00 N ATOM 0 H LYS A 91 -10.345 12.123 -10.761 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.146 13.045 -13.310 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.843 10.771 -14.149 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.539 10.755 -12.979 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.797 9.708 -11.367 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.288 10.487 -11.859 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.974 8.448 -13.669 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.952 7.919 -12.314 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.891 9.144 -13.158 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.931 9.873 -14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.218 8.015 -15.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.560 7.669 -15.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.490 6.963 -14.143 1.00 0.00 H new TER 1639 LYS A 91