USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=18 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= -6.87! C(o=-9.3!,f=-10!) USER MOD Set 1.2: A 36 MET CE :methyl -118:sc= -2.44 (180deg=-0.076) USER MOD Set 2.1: A 29 TYR OH : rot 70:sc= 0.69 USER MOD Set 2.2: A 48 LYS NZ :NH3+ 172:sc= 0.663 (180deg=-0.124) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.0682 (180deg=-0.267) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -165:sc= -0.0647 (180deg=-0.321) USER MOD Single : A 5 LYS NZ :NH3+ 146:sc= 1.19 (180deg=0.16) USER MOD Single : A 6 LYS NZ :NH3+ -154:sc= -0.231 (180deg=-1.18) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.53 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 172:sc= 0 (180deg=-0.0252) USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= 0.536 (180deg=0.313) 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= -0.981 K(o=-0.98,f=-4.5!) USER MOD Single : A 42 THR OG1 : rot 64:sc= 1.08 USER MOD Single : A 43 LYS NZ :NH3+ 131:sc= -0.166 (180deg=-0.822) USER MOD Single : A 46 SER OG : rot -1:sc= 0.559! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.0113 (180deg=-0.178) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -122:sc= 0.777 USER MOD Single : A 62 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.11) USER MOD Single : A 65 GLN : amide:sc= -0.729 K(o=-0.73,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.405 X(o=-0.41,f=-0.24) USER MOD Single : A 87 GLN : amide:sc= -7.37! C(o=-7.4!,f=-10!) USER MOD Single : A 88 ASN : amide:sc= -2.22 K(o=-2.2,f=-1.4) 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 -4.913 12.340 -18.490 1.00 0.00 N ATOM 2 CA MET A 1 -4.772 11.801 -17.111 1.00 0.00 C ATOM 3 C MET A 1 -5.966 12.187 -16.244 1.00 0.00 C ATOM 4 O MET A 1 -6.934 12.771 -16.729 1.00 0.00 O ATOM 5 CB MET A 1 -3.478 12.349 -16.505 1.00 0.00 C ATOM 6 CG MET A 1 -2.230 11.953 -17.277 1.00 0.00 C ATOM 7 SD MET A 1 -2.041 10.166 -17.423 1.00 0.00 S ATOM 8 CE MET A 1 -0.349 10.050 -17.998 1.00 0.00 C ATOM 0 H1 MET A 1 -4.683 11.596 -19.179 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.891 12.659 -18.640 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.264 13.142 -18.617 1.00 0.00 H new ATOM 0 HA MET A 1 -4.736 10.712 -17.153 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.539 13.436 -16.462 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.388 11.994 -15.478 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.269 12.393 -18.274 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.353 12.368 -16.780 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.083 9.002 -18.136 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.250 10.577 -18.947 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.317 10.500 -17.262 1.00 0.00 H new ATOM 20 N LYS A 2 -5.890 11.857 -14.960 1.00 0.00 N ATOM 21 CA LYS A 2 -6.966 12.167 -14.024 1.00 0.00 C ATOM 22 C LYS A 2 -6.447 12.995 -12.852 1.00 0.00 C ATOM 23 O LYS A 2 -5.451 12.641 -12.222 1.00 0.00 O ATOM 24 CB LYS A 2 -7.608 10.878 -13.507 1.00 0.00 C ATOM 25 CG LYS A 2 -8.748 10.375 -14.377 1.00 0.00 C ATOM 26 CD LYS A 2 -9.204 8.989 -13.949 1.00 0.00 C ATOM 27 CE LYS A 2 -10.116 8.357 -14.988 1.00 0.00 C ATOM 28 NZ LYS A 2 -9.831 6.907 -15.171 1.00 0.00 N ATOM 0 H LYS A 2 -5.094 11.374 -14.542 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.717 12.752 -14.555 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.844 10.103 -13.440 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.980 11.047 -12.497 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.586 11.069 -14.318 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.428 10.349 -15.419 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.334 8.351 -13.791 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.728 9.056 -12.996 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.155 8.487 -14.686 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.994 8.874 -15.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.474 6.514 -15.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.847 6.783 -15.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.972 6.409 -14.269 1.00 0.00 H new ATOM 42 N LYS A 3 -7.130 14.099 -12.567 1.00 0.00 N ATOM 43 CA LYS A 3 -6.740 14.977 -11.470 1.00 0.00 C ATOM 44 C LYS A 3 -7.441 14.574 -10.178 1.00 0.00 C ATOM 45 O LYS A 3 -8.508 13.961 -10.203 1.00 0.00 O ATOM 46 CB LYS A 3 -7.069 16.432 -11.811 1.00 0.00 C ATOM 47 CG LYS A 3 -6.485 16.894 -13.136 1.00 0.00 C ATOM 48 CD LYS A 3 -5.086 17.463 -12.960 1.00 0.00 C ATOM 49 CE LYS A 3 -4.505 17.934 -14.283 1.00 0.00 C ATOM 50 NZ LYS A 3 -4.464 16.840 -15.293 1.00 0.00 N ATOM 0 H LYS A 3 -7.956 14.407 -13.080 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.664 14.881 -11.324 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.152 16.554 -11.839 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.696 17.076 -11.015 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.453 16.056 -13.833 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.134 17.651 -13.577 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.117 18.296 -12.258 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.435 16.704 -12.526 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.102 18.761 -14.668 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.497 18.317 -14.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.842 17.117 -16.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.098 15.973 -14.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.423 16.666 -15.655 1.00 0.00 H new ATOM 64 N LEU A 4 -6.835 14.923 -9.048 1.00 0.00 N ATOM 65 CA LEU A 4 -7.402 14.597 -7.743 1.00 0.00 C ATOM 66 C LEU A 4 -6.552 15.181 -6.619 1.00 0.00 C ATOM 67 O LEU A 4 -5.613 15.939 -6.866 1.00 0.00 O ATOM 68 CB LEU A 4 -7.517 13.079 -7.579 1.00 0.00 C ATOM 69 CG LEU A 4 -8.838 12.591 -6.986 1.00 0.00 C ATOM 70 CD1 LEU A 4 -9.897 12.470 -8.073 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.643 11.259 -6.280 1.00 0.00 C ATOM 0 H LEU A 4 -5.952 15.431 -9.009 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.397 15.037 -7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.380 12.612 -8.554 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.702 12.735 -6.943 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.179 13.322 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.831 12.121 -7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.055 13.444 -8.537 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.564 11.758 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.593 10.926 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.280 10.519 -6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.916 11.376 -5.477 1.00 0.00 H new ATOM 83 N LYS A 5 -6.889 14.825 -5.385 1.00 0.00 N ATOM 84 CA LYS A 5 -6.157 15.315 -4.222 1.00 0.00 C ATOM 85 C LYS A 5 -6.160 14.278 -3.102 1.00 0.00 C ATOM 86 O LYS A 5 -7.084 13.473 -2.989 1.00 0.00 O ATOM 87 CB LYS A 5 -6.766 16.627 -3.724 1.00 0.00 C ATOM 88 CG LYS A 5 -5.923 17.850 -4.050 1.00 0.00 C ATOM 89 CD LYS A 5 -6.468 18.598 -5.256 1.00 0.00 C ATOM 90 CE LYS A 5 -7.749 19.344 -4.920 1.00 0.00 C ATOM 91 NZ LYS A 5 -8.841 19.034 -5.884 1.00 0.00 N ATOM 0 H LYS A 5 -7.664 14.199 -5.163 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.125 15.495 -4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.755 16.750 -4.165 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.903 16.568 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.899 18.517 -3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.895 17.543 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.719 19.304 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.658 17.894 -6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.069 19.080 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.556 20.417 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.755 19.042 -5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.851 19.749 -6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.681 18.094 -6.300 1.00 0.00 H new ATOM 105 N LYS A 6 -5.120 14.306 -2.275 1.00 0.00 N ATOM 106 CA LYS A 6 -5.000 13.372 -1.161 1.00 0.00 C ATOM 107 C LYS A 6 -5.096 14.104 0.173 1.00 0.00 C ATOM 108 O LYS A 6 -5.354 15.307 0.215 1.00 0.00 O ATOM 109 CB LYS A 6 -3.675 12.614 -1.249 1.00 0.00 C ATOM 110 CG LYS A 6 -3.793 11.262 -1.936 1.00 0.00 C ATOM 111 CD LYS A 6 -2.975 11.212 -3.218 1.00 0.00 C ATOM 112 CE LYS A 6 -3.750 11.781 -4.395 1.00 0.00 C ATOM 113 NZ LYS A 6 -5.055 11.092 -4.588 1.00 0.00 N ATOM 0 H LYS A 6 -4.347 14.966 -2.355 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.823 12.660 -1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.951 13.225 -1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.282 12.468 -0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.456 10.478 -1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.839 11.059 -2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.051 11.774 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.693 10.181 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.922 12.845 -4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.153 11.687 -5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.343 11.168 -5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.959 10.089 -4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.775 11.537 -3.984 1.00 0.00 H new ATOM 127 N HIS A 7 -4.891 13.370 1.262 1.00 0.00 N ATOM 128 CA HIS A 7 -4.955 13.952 2.598 1.00 0.00 C ATOM 129 C HIS A 7 -3.560 14.300 3.111 1.00 0.00 C ATOM 130 O HIS A 7 -2.560 13.777 2.618 1.00 0.00 O ATOM 131 CB HIS A 7 -5.641 12.985 3.565 1.00 0.00 C ATOM 132 CG HIS A 7 -7.133 13.103 3.572 1.00 0.00 C ATOM 133 ND1 HIS A 7 -7.803 14.160 4.155 1.00 0.00 N ATOM 134 CD2 HIS A 7 -8.088 12.292 3.061 1.00 0.00 C ATOM 135 CE1 HIS A 7 -9.103 13.991 4.002 1.00 0.00 C ATOM 136 NE2 HIS A 7 -9.303 12.865 3.342 1.00 0.00 N ATOM 0 H HIS A 7 -4.679 12.372 1.246 1.00 0.00 H new ATOM 0 HA HIS A 7 -5.538 14.871 2.538 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -5.367 11.964 3.300 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -5.266 13.165 4.573 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -7.924 11.366 2.530 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.873 14.660 4.357 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.213 12.483 3.083 1.00 0.00 H new ATOM 145 N PRO A 8 -3.475 15.192 4.113 1.00 0.00 N ATOM 146 CA PRO A 8 -2.194 15.609 4.694 1.00 0.00 C ATOM 147 C PRO A 8 -1.359 14.424 5.165 1.00 0.00 C ATOM 148 O PRO A 8 -1.686 13.270 4.885 1.00 0.00 O ATOM 149 CB PRO A 8 -2.605 16.478 5.886 1.00 0.00 C ATOM 150 CG PRO A 8 -3.971 16.966 5.548 1.00 0.00 C ATOM 151 CD PRO A 8 -4.619 15.863 4.758 1.00 0.00 C ATOM 0 HA PRO A 8 -1.570 16.129 3.967 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.608 15.903 6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.912 17.308 6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.541 17.187 6.450 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.924 17.887 4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.175 15.181 5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.323 16.254 4.023 1.00 0.00 H new ATOM 159 N ASP A 9 -0.278 14.716 5.880 1.00 0.00 N ATOM 160 CA ASP A 9 0.606 13.674 6.390 1.00 0.00 C ATOM 161 C ASP A 9 1.164 12.828 5.247 1.00 0.00 C ATOM 162 O ASP A 9 1.108 11.598 5.284 1.00 0.00 O ATOM 163 CB ASP A 9 -0.142 12.784 7.386 1.00 0.00 C ATOM 164 CG ASP A 9 0.749 12.304 8.515 1.00 0.00 C ATOM 165 OD1 ASP A 9 1.652 13.067 8.923 1.00 0.00 O ATOM 166 OD2 ASP A 9 0.545 11.168 8.992 1.00 0.00 O ATOM 0 H ASP A 9 0.007 15.666 6.120 1.00 0.00 H new ATOM 0 HA ASP A 9 1.440 14.155 6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.984 13.337 7.802 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.554 11.922 6.861 1.00 0.00 H new ATOM 171 N PHE A 10 1.700 13.497 4.233 1.00 0.00 N ATOM 172 CA PHE A 10 2.266 12.813 3.076 1.00 0.00 C ATOM 173 C PHE A 10 1.200 11.977 2.370 1.00 0.00 C ATOM 174 O PHE A 10 0.741 10.967 2.903 1.00 0.00 O ATOM 175 CB PHE A 10 3.431 11.911 3.497 1.00 0.00 C ATOM 176 CG PHE A 10 4.202 12.421 4.682 1.00 0.00 C ATOM 177 CD1 PHE A 10 4.991 13.555 4.578 1.00 0.00 C ATOM 178 CD2 PHE A 10 4.138 11.765 5.901 1.00 0.00 C ATOM 179 CE1 PHE A 10 5.700 14.026 5.666 1.00 0.00 C ATOM 180 CE2 PHE A 10 4.845 12.231 6.994 1.00 0.00 C ATOM 181 CZ PHE A 10 5.628 13.364 6.876 1.00 0.00 C ATOM 0 H PHE A 10 1.755 14.515 4.188 1.00 0.00 H new ATOM 0 HA PHE A 10 2.636 13.572 2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.044 10.919 3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.113 11.798 2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.053 14.077 3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.528 10.879 5.998 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.311 14.912 5.570 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.786 11.711 7.938 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.182 13.731 7.728 1.00 0.00 H new ATOM 191 N PRO A 11 0.783 12.388 1.158 1.00 0.00 N ATOM 192 CA PRO A 11 -0.238 11.666 0.393 1.00 0.00 C ATOM 193 C PRO A 11 0.088 10.186 0.231 1.00 0.00 C ATOM 194 O PRO A 11 1.221 9.761 0.458 1.00 0.00 O ATOM 195 CB PRO A 11 -0.227 12.366 -0.967 1.00 0.00 C ATOM 196 CG PRO A 11 0.281 13.736 -0.681 1.00 0.00 C ATOM 197 CD PRO A 11 1.266 13.584 0.442 1.00 0.00 C ATOM 0 HA PRO A 11 -1.206 11.688 0.893 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.416 11.845 -1.676 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.225 12.397 -1.405 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.756 14.168 -1.562 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.533 14.403 -0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.282 13.448 0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.278 14.462 1.088 1.00 0.00 H new ATOM 205 N LYS A 12 -0.913 9.409 -0.165 1.00 0.00 N ATOM 206 CA LYS A 12 -0.738 7.974 -0.363 1.00 0.00 C ATOM 207 C LYS A 12 -1.368 7.532 -1.678 1.00 0.00 C ATOM 208 O LYS A 12 -1.945 8.343 -2.403 1.00 0.00 O ATOM 209 CB LYS A 12 -1.356 7.198 0.802 1.00 0.00 C ATOM 210 CG LYS A 12 -0.361 6.849 1.897 1.00 0.00 C ATOM 211 CD LYS A 12 -0.980 6.985 3.281 1.00 0.00 C ATOM 212 CE LYS A 12 -0.358 8.132 4.062 1.00 0.00 C ATOM 213 NZ LYS A 12 -1.361 8.840 4.904 1.00 0.00 N ATOM 0 H LYS A 12 -1.856 9.748 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 12 0.330 7.762 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.165 7.788 1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.801 6.279 0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.006 5.828 1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.508 7.502 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.053 7.149 3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.847 6.054 3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.441 7.748 4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.097 8.839 3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.897 9.614 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.111 9.229 4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.777 8.172 5.584 1.00 0.00 H new ATOM 227 N LYS A 13 -1.259 6.243 -1.985 1.00 0.00 N ATOM 228 CA LYS A 13 -1.824 5.706 -3.218 1.00 0.00 C ATOM 229 C LYS A 13 -1.606 4.196 -3.321 1.00 0.00 C ATOM 230 O LYS A 13 -2.567 3.428 -3.370 1.00 0.00 O ATOM 231 CB LYS A 13 -1.213 6.411 -4.433 1.00 0.00 C ATOM 232 CG LYS A 13 -2.201 7.293 -5.180 1.00 0.00 C ATOM 233 CD LYS A 13 -3.248 6.465 -5.909 1.00 0.00 C ATOM 234 CE LYS A 13 -4.561 7.219 -6.041 1.00 0.00 C ATOM 235 NZ LYS A 13 -5.554 6.788 -5.019 1.00 0.00 N ATOM 0 H LYS A 13 -0.787 5.554 -1.400 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.898 5.890 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.370 7.019 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.817 5.661 -5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.693 7.966 -4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.665 7.916 -5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.878 6.199 -6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.415 5.532 -5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.377 8.289 -5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.973 7.059 -7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.435 7.326 -5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.749 5.773 -5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.172 6.964 -4.068 1.00 0.00 H new ATOM 249 N PRO A 14 -0.338 3.745 -3.359 1.00 0.00 N ATOM 250 CA PRO A 14 -0.011 2.319 -3.462 1.00 0.00 C ATOM 251 C PRO A 14 -0.645 1.499 -2.344 1.00 0.00 C ATOM 252 O PRO A 14 -1.261 2.046 -1.429 1.00 0.00 O ATOM 253 CB PRO A 14 1.522 2.281 -3.352 1.00 0.00 C ATOM 254 CG PRO A 14 1.916 3.616 -2.820 1.00 0.00 C ATOM 255 CD PRO A 14 0.873 4.579 -3.309 1.00 0.00 C ATOM 0 HA PRO A 14 -0.390 1.886 -4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.848 1.482 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.981 2.094 -4.323 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.958 3.605 -1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.907 3.901 -3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.754 5.425 -2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.125 4.986 -4.288 1.00 0.00 H new ATOM 263 N LEU A 15 -0.492 0.181 -2.425 1.00 0.00 N ATOM 264 CA LEU A 15 -1.053 -0.718 -1.420 1.00 0.00 C ATOM 265 C LEU A 15 -0.016 -1.744 -0.971 1.00 0.00 C ATOM 266 O LEU A 15 1.075 -1.828 -1.537 1.00 0.00 O ATOM 267 CB LEU A 15 -2.291 -1.436 -1.969 1.00 0.00 C ATOM 268 CG LEU A 15 -3.047 -0.690 -3.074 1.00 0.00 C ATOM 269 CD1 LEU A 15 -2.724 -1.284 -4.436 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.546 -0.728 -2.817 1.00 0.00 C ATOM 0 H LEU A 15 0.015 -0.289 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.346 -0.117 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.985 -2.409 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.978 -1.622 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.724 0.351 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.270 -0.742 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.653 -1.203 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.017 -2.334 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.065 -0.193 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.885 -1.764 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.763 -0.255 -1.860 1.00 0.00 H new ATOM 282 N THR A 16 -0.364 -2.522 0.047 1.00 0.00 N ATOM 283 CA THR A 16 0.538 -3.544 0.571 1.00 0.00 C ATOM 284 C THR A 16 0.584 -4.759 -0.355 1.00 0.00 C ATOM 285 O THR A 16 -0.376 -5.041 -1.072 1.00 0.00 O ATOM 286 CB THR A 16 0.110 -3.973 1.981 1.00 0.00 C ATOM 287 OG1 THR A 16 0.722 -5.198 2.340 1.00 0.00 O ATOM 288 CG2 THR A 16 -1.384 -4.151 2.137 1.00 0.00 C ATOM 0 H THR A 16 -1.263 -2.466 0.526 1.00 0.00 H new ATOM 0 HA THR A 16 1.537 -3.112 0.624 1.00 0.00 H new ATOM 0 HB THR A 16 0.430 -3.159 2.631 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.438 -5.453 3.242 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.609 -4.454 3.159 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.887 -3.209 1.919 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.733 -4.918 1.446 1.00 0.00 H new ATOM 296 N PRO A 17 1.710 -5.498 -0.350 1.00 0.00 N ATOM 297 CA PRO A 17 1.894 -6.688 -1.184 1.00 0.00 C ATOM 298 C PRO A 17 0.654 -7.578 -1.216 1.00 0.00 C ATOM 299 O PRO A 17 0.185 -7.965 -2.286 1.00 0.00 O ATOM 300 CB PRO A 17 3.069 -7.425 -0.516 1.00 0.00 C ATOM 301 CG PRO A 17 3.439 -6.619 0.690 1.00 0.00 C ATOM 302 CD PRO A 17 2.896 -5.239 0.468 1.00 0.00 C ATOM 0 HA PRO A 17 2.079 -6.424 -2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.783 -8.438 -0.234 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.913 -7.511 -1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.019 -7.060 1.594 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.521 -6.593 0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.643 -4.746 1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.612 -4.598 -0.046 1.00 0.00 H new ATOM 310 N TYR A 18 0.124 -7.895 -0.039 1.00 0.00 N ATOM 311 CA TYR A 18 -1.063 -8.737 0.058 1.00 0.00 C ATOM 312 C TYR A 18 -2.227 -8.109 -0.705 1.00 0.00 C ATOM 313 O TYR A 18 -3.025 -8.811 -1.327 1.00 0.00 O ATOM 314 CB TYR A 18 -1.451 -8.948 1.524 1.00 0.00 C ATOM 315 CG TYR A 18 -2.712 -9.762 1.709 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.900 -10.954 1.019 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.715 -9.339 2.573 1.00 0.00 C ATOM 318 CE1 TYR A 18 -4.051 -11.700 1.184 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.869 -10.081 2.744 1.00 0.00 C ATOM 320 CZ TYR A 18 -5.032 -11.260 2.047 1.00 0.00 C ATOM 321 OH TYR A 18 -6.179 -12.000 2.215 1.00 0.00 O ATOM 0 H TYR A 18 0.496 -7.583 0.858 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.833 -9.705 -0.387 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.630 -9.445 2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.584 -7.976 1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.134 -11.303 0.343 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.591 -8.416 3.120 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.182 -12.624 0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.639 -9.739 3.420 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.767 -11.551 2.858 1.00 0.00 H new ATOM 331 N PHE A 19 -2.311 -6.782 -0.659 1.00 0.00 N ATOM 332 CA PHE A 19 -3.373 -6.061 -1.352 1.00 0.00 C ATOM 333 C PHE A 19 -3.207 -6.187 -2.863 1.00 0.00 C ATOM 334 O PHE A 19 -4.081 -6.709 -3.550 1.00 0.00 O ATOM 335 CB PHE A 19 -3.375 -4.586 -0.944 1.00 0.00 C ATOM 336 CG PHE A 19 -4.501 -4.221 -0.017 1.00 0.00 C ATOM 337 CD1 PHE A 19 -4.859 -5.061 1.026 1.00 0.00 C ATOM 338 CD2 PHE A 19 -5.204 -3.040 -0.192 1.00 0.00 C ATOM 339 CE1 PHE A 19 -5.895 -4.728 1.877 1.00 0.00 C ATOM 340 CE2 PHE A 19 -6.242 -2.702 0.655 1.00 0.00 C ATOM 341 CZ PHE A 19 -6.588 -3.547 1.690 1.00 0.00 C ATOM 0 H PHE A 19 -1.658 -6.186 -0.150 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.328 -6.503 -1.068 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.427 -4.350 -0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.439 -3.969 -1.841 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.322 -5.986 1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.937 -2.375 -1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.163 -5.390 2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.782 -1.778 0.507 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.399 -3.286 2.353 1.00 0.00 H new ATOM 351 N ARG A 20 -2.077 -5.713 -3.373 1.00 0.00 N ATOM 352 CA ARG A 20 -1.797 -5.785 -4.803 1.00 0.00 C ATOM 353 C ARG A 20 -1.837 -7.231 -5.298 1.00 0.00 C ATOM 354 O ARG A 20 -1.958 -7.483 -6.496 1.00 0.00 O ATOM 355 CB ARG A 20 -0.434 -5.165 -5.113 1.00 0.00 C ATOM 356 CG ARG A 20 0.706 -5.763 -4.303 1.00 0.00 C ATOM 357 CD ARG A 20 2.017 -5.034 -4.554 1.00 0.00 C ATOM 358 NE ARG A 20 1.850 -3.581 -4.563 1.00 0.00 N ATOM 359 CZ ARG A 20 1.539 -2.874 -5.651 1.00 0.00 C ATOM 360 NH1 ARG A 20 1.351 -3.480 -6.817 1.00 0.00 N ATOM 361 NH2 ARG A 20 1.413 -1.557 -5.570 1.00 0.00 N ATOM 0 H ARG A 20 -1.340 -5.275 -2.820 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.570 -5.221 -5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.220 -5.291 -6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.480 -4.093 -4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.462 -5.717 -3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.821 -6.816 -4.559 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.737 -5.310 -3.784 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.432 -5.356 -5.509 1.00 0.00 H new ATOM 0 HE ARG A 20 1.979 -3.078 -3.685 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.444 -4.493 -6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.113 -2.932 -7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.554 -1.085 -4.677 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.175 -1.015 -6.401 1.00 0.00 H new ATOM 375 N PHE A 21 -1.728 -8.177 -4.367 1.00 0.00 N ATOM 376 CA PHE A 21 -1.745 -9.597 -4.701 1.00 0.00 C ATOM 377 C PHE A 21 -3.168 -10.149 -4.684 1.00 0.00 C ATOM 378 O PHE A 21 -3.548 -10.948 -5.542 1.00 0.00 O ATOM 379 CB PHE A 21 -0.879 -10.369 -3.704 1.00 0.00 C ATOM 380 CG PHE A 21 -0.597 -11.786 -4.112 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.612 -12.730 -4.148 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.686 -12.174 -4.451 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.348 -14.034 -4.517 1.00 0.00 C ATOM 384 CE2 PHE A 21 0.957 -13.477 -4.821 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.061 -14.409 -4.855 1.00 0.00 C ATOM 0 H PHE A 21 -1.627 -7.983 -3.371 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.345 -9.718 -5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.067 -9.843 -3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.375 -10.373 -2.734 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.619 -12.442 -3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.486 -11.449 -4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.147 -14.761 -4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.964 -13.766 -5.083 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.148 -15.428 -5.145 1.00 0.00 H new ATOM 395 N PHE A 22 -3.950 -9.716 -3.701 1.00 0.00 N ATOM 396 CA PHE A 22 -5.328 -10.166 -3.564 1.00 0.00 C ATOM 397 C PHE A 22 -6.241 -9.311 -4.430 1.00 0.00 C ATOM 398 O PHE A 22 -7.026 -9.822 -5.226 1.00 0.00 O ATOM 399 CB PHE A 22 -5.744 -10.089 -2.088 1.00 0.00 C ATOM 400 CG PHE A 22 -7.223 -10.214 -1.842 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.069 -9.139 -2.059 1.00 0.00 C ATOM 402 CD2 PHE A 22 -7.761 -11.404 -1.378 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.426 -9.250 -1.821 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.117 -11.519 -1.136 1.00 0.00 C ATOM 405 CZ PHE A 22 -9.950 -10.441 -1.358 1.00 0.00 C ATOM 0 H PHE A 22 -3.651 -9.052 -2.986 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.413 -11.200 -3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.231 -10.878 -1.539 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.401 -9.140 -1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.664 -8.204 -2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.114 -12.251 -1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.076 -8.406 -1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.524 -12.451 -0.774 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.010 -10.529 -1.170 1.00 0.00 H new ATOM 415 N MET A 23 -6.116 -8.005 -4.263 1.00 0.00 N ATOM 416 CA MET A 23 -6.906 -7.042 -5.013 1.00 0.00 C ATOM 417 C MET A 23 -6.747 -7.235 -6.524 1.00 0.00 C ATOM 418 O MET A 23 -7.598 -6.806 -7.303 1.00 0.00 O ATOM 419 CB MET A 23 -6.494 -5.626 -4.595 1.00 0.00 C ATOM 420 CG MET A 23 -5.537 -4.934 -5.558 1.00 0.00 C ATOM 421 SD MET A 23 -6.393 -4.096 -6.905 1.00 0.00 S ATOM 422 CE MET A 23 -5.177 -4.234 -8.213 1.00 0.00 C ATOM 0 H MET A 23 -5.463 -7.582 -3.603 1.00 0.00 H new ATOM 0 HA MET A 23 -7.960 -7.198 -4.785 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.391 -5.016 -4.494 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.028 -5.673 -3.611 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.935 -4.210 -5.009 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.849 -5.671 -5.973 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.612 -3.890 -9.152 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.309 -3.622 -7.969 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.870 -5.275 -8.316 1.00 0.00 H new ATOM 432 N GLU A 24 -5.650 -7.868 -6.932 1.00 0.00 N ATOM 433 CA GLU A 24 -5.388 -8.097 -8.348 1.00 0.00 C ATOM 434 C GLU A 24 -5.935 -9.447 -8.801 1.00 0.00 C ATOM 435 O GLU A 24 -6.500 -9.567 -9.889 1.00 0.00 O ATOM 436 CB GLU A 24 -3.882 -8.016 -8.624 1.00 0.00 C ATOM 437 CG GLU A 24 -3.107 -9.261 -8.212 1.00 0.00 C ATOM 438 CD GLU A 24 -1.643 -9.191 -8.602 1.00 0.00 C ATOM 439 OE1 GLU A 24 -1.301 -8.370 -9.479 1.00 0.00 O ATOM 440 OE2 GLU A 24 -0.839 -9.957 -8.030 1.00 0.00 O ATOM 0 H GLU A 24 -4.932 -8.230 -6.304 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.899 -7.320 -8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.727 -7.840 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.472 -7.155 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.186 -9.393 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.561 -10.137 -8.675 1.00 0.00 H new ATOM 447 N LYS A 25 -5.747 -10.466 -7.971 1.00 0.00 N ATOM 448 CA LYS A 25 -6.207 -11.810 -8.297 1.00 0.00 C ATOM 449 C LYS A 25 -7.728 -11.910 -8.298 1.00 0.00 C ATOM 450 O LYS A 25 -8.301 -12.757 -8.983 1.00 0.00 O ATOM 451 CB LYS A 25 -5.617 -12.818 -7.313 1.00 0.00 C ATOM 452 CG LYS A 25 -4.601 -13.742 -7.954 1.00 0.00 C ATOM 453 CD LYS A 25 -3.342 -13.865 -7.112 1.00 0.00 C ATOM 454 CE LYS A 25 -2.555 -15.121 -7.459 1.00 0.00 C ATOM 455 NZ LYS A 25 -1.191 -14.803 -7.966 1.00 0.00 N ATOM 0 H LYS A 25 -5.280 -10.387 -7.068 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.863 -12.039 -9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.144 -12.281 -6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.423 -13.414 -6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.043 -14.728 -8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.341 -13.367 -8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.714 -12.988 -7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.611 -13.884 -6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.475 -15.754 -6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.098 -15.692 -8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.827 -15.610 -8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.235 -13.963 -8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.558 -14.614 -7.163 1.00 0.00 H new ATOM 469 N ARG A 26 -8.383 -11.044 -7.531 1.00 0.00 N ATOM 470 CA ARG A 26 -9.842 -11.052 -7.455 1.00 0.00 C ATOM 471 C ARG A 26 -10.441 -11.023 -8.849 1.00 0.00 C ATOM 472 O ARG A 26 -11.446 -11.677 -9.121 1.00 0.00 O ATOM 473 CB ARG A 26 -10.374 -9.867 -6.641 1.00 0.00 C ATOM 474 CG ARG A 26 -10.079 -9.932 -5.145 1.00 0.00 C ATOM 475 CD ARG A 26 -10.227 -11.337 -4.560 1.00 0.00 C ATOM 476 NE ARG A 26 -11.225 -12.154 -5.250 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.511 -11.830 -5.366 1.00 0.00 C ATOM 478 NH1 ARG A 26 -12.984 -10.728 -4.794 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.334 -12.623 -6.038 1.00 0.00 N ATOM 0 H ARG A 26 -7.932 -10.332 -6.957 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.138 -11.971 -6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.946 -8.948 -7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.453 -9.803 -6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.064 -9.576 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.752 -9.254 -4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.263 -11.843 -4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.499 -11.257 -3.508 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.915 -13.030 -5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.360 -10.122 -4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.971 -10.488 -4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.982 -13.480 -6.465 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.320 -12.376 -6.128 1.00 0.00 H new ATOM 493 N ALA A 27 -9.798 -10.282 -9.738 1.00 0.00 N ATOM 494 CA ALA A 27 -10.245 -10.191 -11.118 1.00 0.00 C ATOM 495 C ALA A 27 -10.366 -11.586 -11.713 1.00 0.00 C ATOM 496 O ALA A 27 -11.227 -11.852 -12.551 1.00 0.00 O ATOM 497 CB ALA A 27 -9.259 -9.371 -11.925 1.00 0.00 C ATOM 0 H ALA A 27 -8.964 -9.734 -9.527 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.220 -9.705 -11.147 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.599 -9.306 -12.958 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.188 -8.369 -11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.279 -9.847 -11.895 1.00 0.00 H new ATOM 503 N LYS A 28 -9.478 -12.465 -11.267 1.00 0.00 N ATOM 504 CA LYS A 28 -9.452 -13.845 -11.745 1.00 0.00 C ATOM 505 C LYS A 28 -10.248 -14.784 -10.834 1.00 0.00 C ATOM 506 O LYS A 28 -10.494 -15.936 -11.189 1.00 0.00 O ATOM 507 CB LYS A 28 -8.005 -14.334 -11.856 1.00 0.00 C ATOM 508 CG LYS A 28 -7.699 -15.035 -13.170 1.00 0.00 C ATOM 509 CD LYS A 28 -8.653 -16.191 -13.419 1.00 0.00 C ATOM 510 CE LYS A 28 -8.397 -17.342 -12.459 1.00 0.00 C ATOM 511 NZ LYS A 28 -7.287 -18.217 -12.924 1.00 0.00 N ATOM 0 H LYS A 28 -8.763 -12.248 -10.573 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.923 -13.859 -12.728 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.333 -13.483 -11.742 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.797 -15.017 -11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.770 -14.320 -13.990 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.674 -15.404 -13.157 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.681 -15.846 -13.309 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.542 -16.541 -14.445 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.157 -16.945 -11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.306 -17.934 -12.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.145 -18.989 -12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.526 -18.616 -13.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.413 -17.658 -13.002 1.00 0.00 H new ATOM 525 N TYR A 29 -10.641 -14.294 -9.661 1.00 0.00 N ATOM 526 CA TYR A 29 -11.398 -15.104 -8.708 1.00 0.00 C ATOM 527 C TYR A 29 -12.887 -14.783 -8.760 1.00 0.00 C ATOM 528 O TYR A 29 -13.727 -15.653 -8.530 1.00 0.00 O ATOM 529 CB TYR A 29 -10.879 -14.875 -7.291 1.00 0.00 C ATOM 530 CG TYR A 29 -9.680 -15.721 -6.943 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.826 -17.040 -6.539 1.00 0.00 C ATOM 532 CD2 TYR A 29 -8.398 -15.196 -7.023 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.726 -17.813 -6.221 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.295 -15.961 -6.711 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.462 -17.269 -6.310 1.00 0.00 C ATOM 536 OH TYR A 29 -6.364 -18.035 -5.998 1.00 0.00 O ATOM 0 H TYR A 29 -10.449 -13.343 -9.347 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.262 -16.149 -8.985 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.617 -13.823 -7.174 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.679 -15.085 -6.582 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.815 -17.469 -6.472 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.262 -14.171 -7.335 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.855 -18.837 -5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.304 -15.537 -6.780 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.239 -18.722 -6.685 1.00 0.00 H new ATOM 546 N ALA A 30 -13.207 -13.533 -9.069 1.00 0.00 N ATOM 547 CA ALA A 30 -14.595 -13.105 -9.156 1.00 0.00 C ATOM 548 C ALA A 30 -15.229 -13.659 -10.423 1.00 0.00 C ATOM 549 O ALA A 30 -16.452 -13.695 -10.563 1.00 0.00 O ATOM 550 CB ALA A 30 -14.686 -11.587 -9.129 1.00 0.00 C ATOM 0 H ALA A 30 -12.525 -12.800 -9.263 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.139 -13.492 -8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.731 -11.284 -9.195 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.258 -11.213 -8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.135 -11.174 -9.974 1.00 0.00 H new ATOM 556 N LYS A 31 -14.375 -14.093 -11.341 1.00 0.00 N ATOM 557 CA LYS A 31 -14.809 -14.655 -12.600 1.00 0.00 C ATOM 558 C LYS A 31 -14.869 -16.179 -12.521 1.00 0.00 C ATOM 559 O LYS A 31 -15.526 -16.827 -13.337 1.00 0.00 O ATOM 560 CB LYS A 31 -13.837 -14.218 -13.691 1.00 0.00 C ATOM 561 CG LYS A 31 -14.254 -14.646 -15.083 1.00 0.00 C ATOM 562 CD LYS A 31 -13.698 -16.016 -15.428 1.00 0.00 C ATOM 563 CE LYS A 31 -14.683 -16.827 -16.255 1.00 0.00 C ATOM 564 NZ LYS A 31 -14.860 -16.261 -17.621 1.00 0.00 N ATOM 0 H LYS A 31 -13.362 -14.062 -11.227 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.811 -14.295 -12.831 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.742 -13.132 -13.667 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.851 -14.629 -13.474 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.342 -14.665 -15.149 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.903 -13.915 -15.811 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.765 -15.902 -15.980 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.462 -16.555 -14.511 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.332 -17.856 -16.331 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.647 -16.856 -15.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.539 -16.843 -18.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.219 -15.288 -17.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.946 -16.257 -18.116 1.00 0.00 H new ATOM 578 N LEU A 32 -14.175 -16.747 -11.535 1.00 0.00 N ATOM 579 CA LEU A 32 -14.145 -18.194 -11.353 1.00 0.00 C ATOM 580 C LEU A 32 -14.966 -18.630 -10.137 1.00 0.00 C ATOM 581 O LEU A 32 -15.106 -19.825 -9.875 1.00 0.00 O ATOM 582 CB LEU A 32 -12.702 -18.675 -11.205 1.00 0.00 C ATOM 583 CG LEU A 32 -12.537 -20.186 -11.029 1.00 0.00 C ATOM 584 CD1 LEU A 32 -11.575 -20.747 -12.064 1.00 0.00 C ATOM 585 CD2 LEU A 32 -12.056 -20.512 -9.622 1.00 0.00 C ATOM 0 H LEU A 32 -13.627 -16.225 -10.851 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.592 -18.647 -12.238 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.139 -18.364 -12.085 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.254 -18.174 -10.347 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.510 -20.654 -11.178 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.473 -21.823 -11.920 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.961 -20.550 -13.064 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.601 -20.271 -11.951 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.945 -21.591 -9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.095 -20.029 -9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.783 -20.150 -8.896 1.00 0.00 H new ATOM 597 N HIS A 33 -15.514 -17.663 -9.398 1.00 0.00 N ATOM 598 CA HIS A 33 -16.322 -17.972 -8.220 1.00 0.00 C ATOM 599 C HIS A 33 -17.747 -17.437 -8.377 1.00 0.00 C ATOM 600 O HIS A 33 -18.254 -16.736 -7.502 1.00 0.00 O ATOM 601 CB HIS A 33 -15.675 -17.390 -6.957 1.00 0.00 C ATOM 602 CG HIS A 33 -14.502 -18.184 -6.473 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.530 -18.946 -5.322 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.261 -18.342 -6.994 1.00 0.00 C ATOM 605 CE1 HIS A 33 -13.358 -19.535 -5.157 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.573 -19.185 -6.158 1.00 0.00 N ATOM 0 H HIS A 33 -15.413 -16.667 -9.594 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.372 -19.056 -8.122 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.355 -16.368 -7.159 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.422 -17.339 -6.165 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.884 -17.889 -7.899 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.089 -20.191 -4.342 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.609 -19.492 -6.289 1.00 0.00 H new ATOM 615 N PRO A 34 -18.416 -17.770 -9.498 1.00 0.00 N ATOM 616 CA PRO A 34 -19.790 -17.326 -9.760 1.00 0.00 C ATOM 617 C PRO A 34 -20.807 -18.060 -8.896 1.00 0.00 C ATOM 618 O PRO A 34 -21.883 -17.537 -8.605 1.00 0.00 O ATOM 619 CB PRO A 34 -19.995 -17.672 -11.234 1.00 0.00 C ATOM 620 CG PRO A 34 -19.097 -18.836 -11.469 1.00 0.00 C ATOM 621 CD PRO A 34 -17.893 -18.607 -10.596 1.00 0.00 C ATOM 0 HA PRO A 34 -19.930 -16.270 -9.531 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -21.035 -17.924 -11.442 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.735 -16.833 -11.879 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.594 -19.772 -11.212 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -18.812 -18.904 -12.519 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.483 -19.546 -10.224 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -17.094 -18.103 -11.139 1.00 0.00 H new ATOM 629 N GLU A 35 -20.457 -19.274 -8.481 1.00 0.00 N ATOM 630 CA GLU A 35 -21.336 -20.078 -7.641 1.00 0.00 C ATOM 631 C GLU A 35 -20.937 -19.958 -6.177 1.00 0.00 C ATOM 632 O GLU A 35 -21.334 -20.771 -5.340 1.00 0.00 O ATOM 633 CB GLU A 35 -21.301 -21.544 -8.079 1.00 0.00 C ATOM 634 CG GLU A 35 -21.442 -21.734 -9.580 1.00 0.00 C ATOM 635 CD GLU A 35 -20.428 -22.710 -10.142 1.00 0.00 C ATOM 636 OE1 GLU A 35 -19.299 -22.764 -9.610 1.00 0.00 O ATOM 637 OE2 GLU A 35 -20.762 -23.420 -11.114 1.00 0.00 O ATOM 0 H GLU A 35 -19.570 -19.722 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.353 -19.703 -7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -20.362 -21.990 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -22.103 -22.084 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -22.447 -22.091 -9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.327 -20.771 -10.077 1.00 0.00 H new ATOM 644 N MET A 36 -20.149 -18.933 -5.878 1.00 0.00 N ATOM 645 CA MET A 36 -19.688 -18.684 -4.522 1.00 0.00 C ATOM 646 C MET A 36 -20.005 -17.246 -4.114 1.00 0.00 C ATOM 647 O MET A 36 -20.921 -16.629 -4.657 1.00 0.00 O ATOM 648 CB MET A 36 -18.184 -18.952 -4.417 1.00 0.00 C ATOM 649 CG MET A 36 -17.735 -20.210 -5.143 1.00 0.00 C ATOM 650 SD MET A 36 -17.050 -21.452 -4.029 1.00 0.00 S ATOM 651 CE MET A 36 -15.531 -21.869 -4.880 1.00 0.00 C ATOM 0 H MET A 36 -19.815 -18.257 -6.564 1.00 0.00 H new ATOM 0 HA MET A 36 -20.208 -19.360 -3.843 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.642 -18.097 -4.822 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.911 -19.033 -3.365 1.00 0.00 H new ATOM 0 HG2 MET A 36 -18.583 -20.637 -5.679 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.986 -19.946 -5.890 1.00 0.00 H new ATOM 0 HE1 MET A 36 -15.550 -22.921 -5.164 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.434 -21.254 -5.775 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.683 -21.686 -4.221 1.00 0.00 H new ATOM 661 N SER A 37 -19.253 -16.716 -3.154 1.00 0.00 N ATOM 662 CA SER A 37 -19.470 -15.355 -2.684 1.00 0.00 C ATOM 663 C SER A 37 -18.180 -14.546 -2.734 1.00 0.00 C ATOM 664 O SER A 37 -18.112 -13.496 -3.371 1.00 0.00 O ATOM 665 CB SER A 37 -20.012 -15.375 -1.254 1.00 0.00 C ATOM 666 OG SER A 37 -20.278 -14.063 -0.789 1.00 0.00 O ATOM 0 H SER A 37 -18.490 -17.208 -2.688 1.00 0.00 H new ATOM 0 HA SER A 37 -20.199 -14.882 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.925 -15.969 -1.217 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.290 -15.858 -0.595 1.00 0.00 H new ATOM 0 HG SER A 37 -20.625 -14.105 0.127 1.00 0.00 H new ATOM 672 N ASN A 38 -17.160 -15.045 -2.041 1.00 0.00 N ATOM 673 CA ASN A 38 -15.859 -14.384 -1.974 1.00 0.00 C ATOM 674 C ASN A 38 -14.999 -15.016 -0.883 1.00 0.00 C ATOM 675 O ASN A 38 -13.773 -14.954 -0.929 1.00 0.00 O ATOM 676 CB ASN A 38 -16.032 -12.889 -1.693 1.00 0.00 C ATOM 677 CG ASN A 38 -15.506 -12.021 -2.819 1.00 0.00 C ATOM 678 OD1 ASN A 38 -14.732 -11.090 -2.590 1.00 0.00 O ATOM 679 ND2 ASN A 38 -15.925 -12.319 -4.043 1.00 0.00 N ATOM 0 H ASN A 38 -17.211 -15.916 -1.512 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.362 -14.508 -2.936 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.089 -12.672 -1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.513 -12.634 -0.769 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -15.606 -11.768 -4.840 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -16.566 -13.099 -4.187 1.00 0.00 H new ATOM 686 N LEU A 39 -15.656 -15.625 0.098 1.00 0.00 N ATOM 687 CA LEU A 39 -14.956 -16.271 1.201 1.00 0.00 C ATOM 688 C LEU A 39 -14.231 -17.515 0.709 1.00 0.00 C ATOM 689 O LEU A 39 -13.149 -17.847 1.192 1.00 0.00 O ATOM 690 CB LEU A 39 -15.939 -16.640 2.314 1.00 0.00 C ATOM 691 CG LEU A 39 -15.293 -17.143 3.606 1.00 0.00 C ATOM 692 CD1 LEU A 39 -14.919 -15.976 4.506 1.00 0.00 C ATOM 693 CD2 LEU A 39 -16.228 -18.099 4.331 1.00 0.00 C ATOM 0 H LEU A 39 -16.673 -15.685 0.151 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.222 -15.572 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -16.547 -15.766 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.616 -17.409 1.941 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.381 -17.682 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.461 -16.354 5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.213 -15.328 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.815 -15.408 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.753 -18.447 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -17.156 -17.584 4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.446 -18.952 3.689 1.00 0.00 H new ATOM 705 N ASP A 40 -14.834 -18.196 -0.258 1.00 0.00 N ATOM 706 CA ASP A 40 -14.240 -19.401 -0.821 1.00 0.00 C ATOM 707 C ASP A 40 -12.963 -19.061 -1.579 1.00 0.00 C ATOM 708 O ASP A 40 -12.021 -19.850 -1.614 1.00 0.00 O ATOM 709 CB ASP A 40 -15.234 -20.102 -1.752 1.00 0.00 C ATOM 710 CG ASP A 40 -16.114 -21.093 -1.014 1.00 0.00 C ATOM 711 OD1 ASP A 40 -15.616 -22.184 -0.662 1.00 0.00 O ATOM 712 OD2 ASP A 40 -17.301 -20.778 -0.788 1.00 0.00 O ATOM 0 H ASP A 40 -15.731 -17.935 -0.667 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.991 -20.076 -0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.861 -19.355 -2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.687 -20.621 -2.539 1.00 0.00 H new ATOM 717 N LEU A 41 -12.940 -17.876 -2.183 1.00 0.00 N ATOM 718 CA LEU A 41 -11.782 -17.420 -2.937 1.00 0.00 C ATOM 719 C LEU A 41 -10.817 -16.651 -2.039 1.00 0.00 C ATOM 720 O LEU A 41 -9.601 -16.744 -2.200 1.00 0.00 O ATOM 721 CB LEU A 41 -12.225 -16.544 -4.110 1.00 0.00 C ATOM 722 CG LEU A 41 -13.297 -15.499 -3.795 1.00 0.00 C ATOM 723 CD1 LEU A 41 -12.650 -14.173 -3.429 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.233 -15.326 -4.981 1.00 0.00 C ATOM 0 H LEU A 41 -13.715 -17.213 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.262 -18.295 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.349 -16.030 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.599 -17.193 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.881 -15.846 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.425 -13.439 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.016 -14.307 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.045 -13.821 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.990 -14.579 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.662 -14.998 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.718 -16.276 -5.203 1.00 0.00 H new ATOM 736 N THR A 42 -11.367 -15.897 -1.091 1.00 0.00 N ATOM 737 CA THR A 42 -10.547 -15.119 -0.168 1.00 0.00 C ATOM 738 C THR A 42 -9.616 -16.033 0.622 1.00 0.00 C ATOM 739 O THR A 42 -8.471 -15.678 0.901 1.00 0.00 O ATOM 740 CB THR A 42 -11.433 -14.313 0.788 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.200 -13.357 0.074 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.651 -13.566 1.848 1.00 0.00 C ATOM 0 H THR A 42 -12.372 -15.809 -0.942 1.00 0.00 H new ATOM 0 HA THR A 42 -9.941 -14.425 -0.751 1.00 0.00 H new ATOM 0 HB THR A 42 -12.069 -15.050 1.279 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.820 -13.819 -0.528 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.340 -13.017 2.490 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.083 -14.276 2.449 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.966 -12.866 1.369 1.00 0.00 H new ATOM 750 N LYS A 43 -10.111 -17.217 0.971 1.00 0.00 N ATOM 751 CA LYS A 43 -9.317 -18.185 1.715 1.00 0.00 C ATOM 752 C LYS A 43 -8.179 -18.708 0.840 1.00 0.00 C ATOM 753 O LYS A 43 -7.056 -18.903 1.305 1.00 0.00 O ATOM 754 CB LYS A 43 -10.217 -19.333 2.204 1.00 0.00 C ATOM 755 CG LYS A 43 -9.562 -20.708 2.190 1.00 0.00 C ATOM 756 CD LYS A 43 -9.854 -21.448 0.895 1.00 0.00 C ATOM 757 CE LYS A 43 -9.610 -22.941 1.039 1.00 0.00 C ATOM 758 NZ LYS A 43 -10.465 -23.547 2.096 1.00 0.00 N ATOM 0 H LYS A 43 -11.057 -17.527 0.750 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.878 -17.702 2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.544 -19.112 3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.111 -19.366 1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.484 -20.601 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.924 -21.294 3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.889 -21.274 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.225 -21.051 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.807 -23.434 0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.561 -23.115 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.930 -24.398 1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.876 -23.806 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.188 -22.861 2.394 1.00 0.00 H new ATOM 772 N ILE A 44 -8.486 -18.923 -0.433 1.00 0.00 N ATOM 773 CA ILE A 44 -7.504 -19.415 -1.392 1.00 0.00 C ATOM 774 C ILE A 44 -6.323 -18.455 -1.508 1.00 0.00 C ATOM 775 O ILE A 44 -5.168 -18.878 -1.564 1.00 0.00 O ATOM 776 CB ILE A 44 -8.137 -19.597 -2.787 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.333 -20.545 -2.711 1.00 0.00 C ATOM 778 CG2 ILE A 44 -7.115 -20.117 -3.784 1.00 0.00 C ATOM 779 CD1 ILE A 44 -10.246 -20.453 -3.914 1.00 0.00 C ATOM 0 H ILE A 44 -9.413 -18.763 -0.827 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.152 -20.379 -1.025 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.483 -18.622 -3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.971 -21.569 -2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.906 -20.324 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.586 -20.237 -4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.291 -19.408 -3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.733 -21.080 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.074 -21.152 -3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.636 -19.439 -3.998 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.686 -20.702 -4.815 1.00 0.00 H new ATOM 791 N LEU A 45 -6.624 -17.163 -1.555 1.00 0.00 N ATOM 792 CA LEU A 45 -5.592 -16.138 -1.677 1.00 0.00 C ATOM 793 C LEU A 45 -4.929 -15.854 -0.336 1.00 0.00 C ATOM 794 O LEU A 45 -3.768 -15.443 -0.282 1.00 0.00 O ATOM 795 CB LEU A 45 -6.194 -14.855 -2.247 1.00 0.00 C ATOM 796 CG LEU A 45 -6.591 -14.934 -3.720 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.385 -13.704 -4.129 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.354 -15.094 -4.593 1.00 0.00 C ATOM 0 H LEU A 45 -7.576 -16.799 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.826 -16.511 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.075 -14.592 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.475 -14.046 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.227 -15.808 -3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.658 -13.780 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.289 -13.637 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.778 -12.812 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.652 -15.149 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.693 -14.239 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.829 -16.009 -4.317 1.00 0.00 H new ATOM 810 N SER A 46 -5.663 -16.081 0.748 1.00 0.00 N ATOM 811 CA SER A 46 -5.132 -15.854 2.086 1.00 0.00 C ATOM 812 C SER A 46 -4.274 -17.033 2.533 1.00 0.00 C ATOM 813 O SER A 46 -3.557 -16.950 3.529 1.00 0.00 O ATOM 814 CB SER A 46 -6.273 -15.621 3.080 1.00 0.00 C ATOM 815 OG SER A 46 -5.838 -15.826 4.414 1.00 0.00 O ATOM 0 H SER A 46 -6.624 -16.421 0.726 1.00 0.00 H new ATOM 0 HA SER A 46 -4.505 -14.963 2.058 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.653 -14.605 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.099 -16.296 2.856 1.00 0.00 H new ATOM 0 HG SER A 46 -4.895 -16.093 4.413 1.00 0.00 H new ATOM 821 N LYS A 47 -4.357 -18.129 1.788 1.00 0.00 N ATOM 822 CA LYS A 47 -3.596 -19.326 2.094 1.00 0.00 C ATOM 823 C LYS A 47 -2.357 -19.419 1.208 1.00 0.00 C ATOM 824 O LYS A 47 -1.324 -19.948 1.619 1.00 0.00 O ATOM 825 CB LYS A 47 -4.487 -20.555 1.901 1.00 0.00 C ATOM 826 CG LYS A 47 -3.726 -21.871 1.838 1.00 0.00 C ATOM 827 CD LYS A 47 -3.732 -22.454 0.433 1.00 0.00 C ATOM 828 CE LYS A 47 -2.353 -22.954 0.030 1.00 0.00 C ATOM 829 NZ LYS A 47 -2.403 -23.786 -1.205 1.00 0.00 N ATOM 0 H LYS A 47 -4.950 -18.209 0.962 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.263 -19.282 3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.205 -20.602 2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.060 -20.434 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.698 -21.713 2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.173 -22.584 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.447 -23.275 0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.066 -21.696 -0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.691 -22.103 -0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.926 -23.539 0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.444 -24.107 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.014 -24.612 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.786 -23.221 -1.989 1.00 0.00 H new ATOM 843 N LYS A 48 -2.468 -18.897 -0.010 1.00 0.00 N ATOM 844 CA LYS A 48 -1.358 -18.919 -0.953 1.00 0.00 C ATOM 845 C LYS A 48 -0.284 -17.915 -0.550 1.00 0.00 C ATOM 846 O LYS A 48 0.905 -18.233 -0.548 1.00 0.00 O ATOM 847 CB LYS A 48 -1.855 -18.614 -2.367 1.00 0.00 C ATOM 848 CG LYS A 48 -2.646 -19.752 -2.992 1.00 0.00 C ATOM 849 CD LYS A 48 -3.716 -19.234 -3.941 1.00 0.00 C ATOM 850 CE LYS A 48 -3.401 -19.586 -5.388 1.00 0.00 C ATOM 851 NZ LYS A 48 -3.495 -18.399 -6.282 1.00 0.00 N ATOM 0 H LYS A 48 -3.315 -18.454 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.921 -19.917 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.479 -17.721 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.000 -18.385 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.969 -20.413 -3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.112 -20.346 -2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.682 -19.656 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.800 -18.152 -3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.398 -20.008 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.092 -20.356 -5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.144 -18.649 -7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.487 -18.093 -6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.920 -17.625 -5.893 1.00 0.00 H new ATOM 865 N TYR A 49 -0.710 -16.699 -0.212 1.00 0.00 N ATOM 866 CA TYR A 49 0.212 -15.647 0.192 1.00 0.00 C ATOM 867 C TYR A 49 1.196 -16.145 1.246 1.00 0.00 C ATOM 868 O TYR A 49 2.409 -16.078 1.057 1.00 0.00 O ATOM 869 CB TYR A 49 -0.565 -14.448 0.730 1.00 0.00 C ATOM 870 CG TYR A 49 0.293 -13.224 0.922 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.804 -12.541 -0.171 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.597 -12.757 2.191 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.599 -11.421 -0.005 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.389 -11.639 2.369 1.00 0.00 C ATOM 875 CZ TYR A 49 1.888 -10.975 1.268 1.00 0.00 C ATOM 876 OH TYR A 49 2.678 -9.863 1.441 1.00 0.00 O ATOM 0 H TYR A 49 -1.691 -16.421 -0.211 1.00 0.00 H new ATOM 0 HA TYR A 49 0.782 -15.345 -0.686 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.377 -14.211 0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.022 -14.717 1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.578 -12.889 -1.168 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.208 -13.276 3.055 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.991 -10.900 -0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.616 -11.287 3.365 1.00 0.00 H new ATOM 0 HH TYR A 49 2.783 -9.682 2.398 1.00 0.00 H new ATOM 886 N LYS A 50 0.667 -16.645 2.357 1.00 0.00 N ATOM 887 CA LYS A 50 1.508 -17.153 3.433 1.00 0.00 C ATOM 888 C LYS A 50 2.314 -18.353 2.957 1.00 0.00 C ATOM 889 O LYS A 50 3.494 -18.491 3.279 1.00 0.00 O ATOM 890 CB LYS A 50 0.657 -17.538 4.641 1.00 0.00 C ATOM 891 CG LYS A 50 -0.065 -16.360 5.270 1.00 0.00 C ATOM 892 CD LYS A 50 0.774 -15.712 6.361 1.00 0.00 C ATOM 893 CE LYS A 50 2.009 -15.030 5.789 1.00 0.00 C ATOM 894 NZ LYS A 50 2.385 -13.819 6.570 1.00 0.00 N ATOM 0 H LYS A 50 -0.335 -16.709 2.535 1.00 0.00 H new ATOM 0 HA LYS A 50 2.198 -16.363 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.077 -18.284 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.295 -18.006 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.298 -15.622 4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.014 -16.695 5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.170 -14.981 6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.078 -16.469 7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.842 -15.732 5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.822 -14.750 4.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.230 -13.383 6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.599 -13.138 6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.588 -14.089 7.553 1.00 0.00 H new ATOM 908 N GLU A 51 1.669 -19.216 2.182 1.00 0.00 N ATOM 909 CA GLU A 51 2.323 -20.405 1.650 1.00 0.00 C ATOM 910 C GLU A 51 3.565 -20.029 0.844 1.00 0.00 C ATOM 911 O GLU A 51 4.473 -20.843 0.670 1.00 0.00 O ATOM 912 CB GLU A 51 1.352 -21.200 0.775 1.00 0.00 C ATOM 913 CG GLU A 51 0.611 -22.294 1.529 1.00 0.00 C ATOM 914 CD GLU A 51 0.882 -23.678 0.970 1.00 0.00 C ATOM 915 OE1 GLU A 51 1.953 -23.871 0.358 1.00 0.00 O ATOM 916 OE2 GLU A 51 0.024 -24.568 1.148 1.00 0.00 O ATOM 0 H GLU A 51 0.692 -19.114 1.907 1.00 0.00 H new ATOM 0 HA GLU A 51 2.632 -21.026 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.625 -20.515 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.904 -21.649 -0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.903 -22.267 2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.460 -22.095 1.491 1.00 0.00 H new ATOM 923 N LEU A 52 3.601 -18.790 0.356 1.00 0.00 N ATOM 924 CA LEU A 52 4.735 -18.307 -0.428 1.00 0.00 C ATOM 925 C LEU A 52 6.046 -18.495 0.329 1.00 0.00 C ATOM 926 O LEU A 52 6.132 -18.199 1.521 1.00 0.00 O ATOM 927 CB LEU A 52 4.553 -16.827 -0.777 1.00 0.00 C ATOM 928 CG LEU A 52 3.419 -16.519 -1.757 1.00 0.00 C ATOM 929 CD1 LEU A 52 3.029 -15.051 -1.679 1.00 0.00 C ATOM 930 CD2 LEU A 52 3.826 -16.887 -3.176 1.00 0.00 C ATOM 0 H LEU A 52 2.859 -18.104 0.490 1.00 0.00 H new ATOM 0 HA LEU A 52 4.776 -18.892 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.375 -16.273 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.486 -16.453 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 52 2.553 -17.120 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.221 -14.851 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.696 -14.816 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.890 -14.432 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.007 -16.661 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.707 -16.312 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.056 -17.951 -3.224 1.00 0.00 H new ATOM 942 N PRO A 53 7.093 -18.984 -0.358 1.00 0.00 N ATOM 943 CA PRO A 53 8.409 -19.200 0.253 1.00 0.00 C ATOM 944 C PRO A 53 9.135 -17.902 0.576 1.00 0.00 C ATOM 945 O PRO A 53 10.364 -17.861 0.614 1.00 0.00 O ATOM 946 CB PRO A 53 9.196 -19.941 -0.819 1.00 0.00 C ATOM 947 CG PRO A 53 8.502 -19.658 -2.108 1.00 0.00 C ATOM 948 CD PRO A 53 7.067 -19.358 -1.782 1.00 0.00 C ATOM 0 HA PRO A 53 8.308 -19.734 1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.231 -19.599 -0.850 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.220 -21.012 -0.616 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.966 -18.813 -2.617 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.573 -20.514 -2.780 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.679 -18.548 -2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.429 -20.225 -1.955 1.00 0.00 H new ATOM 956 N GLU A 54 8.375 -16.840 0.771 1.00 0.00 N ATOM 957 CA GLU A 54 8.938 -15.525 1.057 1.00 0.00 C ATOM 958 C GLU A 54 9.851 -15.074 -0.080 1.00 0.00 C ATOM 959 O GLU A 54 10.531 -14.054 0.033 1.00 0.00 O ATOM 960 CB GLU A 54 9.712 -15.506 2.386 1.00 0.00 C ATOM 961 CG GLU A 54 9.700 -16.821 3.144 1.00 0.00 C ATOM 962 CD GLU A 54 9.991 -16.645 4.622 1.00 0.00 C ATOM 963 OE1 GLU A 54 9.089 -16.185 5.353 1.00 0.00 O ATOM 964 OE2 GLU A 54 11.120 -16.967 5.047 1.00 0.00 O ATOM 0 H GLU A 54 7.356 -16.860 0.737 1.00 0.00 H new ATOM 0 HA GLU A 54 8.102 -14.831 1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.746 -15.227 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.291 -14.730 3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.727 -17.297 3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.440 -17.493 2.709 1.00 0.00 H new ATOM 971 N LYS A 55 9.863 -15.829 -1.182 1.00 0.00 N ATOM 972 CA LYS A 55 10.696 -15.477 -2.318 1.00 0.00 C ATOM 973 C LYS A 55 9.926 -14.570 -3.276 1.00 0.00 C ATOM 974 O LYS A 55 10.507 -13.713 -3.942 1.00 0.00 O ATOM 975 CB LYS A 55 11.185 -16.739 -3.043 1.00 0.00 C ATOM 976 CG LYS A 55 10.200 -17.298 -4.059 1.00 0.00 C ATOM 977 CD LYS A 55 10.477 -16.763 -5.454 1.00 0.00 C ATOM 978 CE LYS A 55 9.630 -17.471 -6.500 1.00 0.00 C ATOM 979 NZ LYS A 55 10.038 -18.892 -6.677 1.00 0.00 N ATOM 0 H LYS A 55 9.310 -16.677 -1.304 1.00 0.00 H new ATOM 0 HA LYS A 55 11.569 -14.936 -1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.123 -16.512 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.401 -17.509 -2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.261 -18.386 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.184 -17.038 -3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.272 -15.693 -5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.533 -16.892 -5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.581 -17.428 -6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.716 -16.947 -7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.625 -19.265 -7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.075 -18.951 -6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.700 -19.453 -5.870 1.00 0.00 H new ATOM 993 N LYS A 56 8.613 -14.770 -3.332 1.00 0.00 N ATOM 994 CA LYS A 56 7.746 -13.979 -4.199 1.00 0.00 C ATOM 995 C LYS A 56 7.325 -12.679 -3.516 1.00 0.00 C ATOM 996 O LYS A 56 6.815 -11.767 -4.164 1.00 0.00 O ATOM 997 CB LYS A 56 6.506 -14.784 -4.584 1.00 0.00 C ATOM 998 CG LYS A 56 6.718 -15.692 -5.783 1.00 0.00 C ATOM 999 CD LYS A 56 5.505 -15.697 -6.699 1.00 0.00 C ATOM 1000 CE LYS A 56 5.858 -16.192 -8.091 1.00 0.00 C ATOM 1001 NZ LYS A 56 4.685 -16.802 -8.778 1.00 0.00 N ATOM 0 H LYS A 56 8.124 -15.477 -2.784 1.00 0.00 H new ATOM 0 HA LYS A 56 8.308 -13.730 -5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.196 -15.388 -3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.689 -14.096 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.595 -15.362 -6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.921 -16.707 -5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.729 -16.332 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.093 -14.690 -6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.236 -15.361 -8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.661 -16.926 -8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.968 -17.127 -9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.340 -17.611 -8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.928 -16.094 -8.867 1.00 0.00 H new ATOM 1015 N LYS A 57 7.536 -12.600 -2.204 1.00 0.00 N ATOM 1016 CA LYS A 57 7.175 -11.408 -1.447 1.00 0.00 C ATOM 1017 C LYS A 57 8.327 -10.413 -1.431 1.00 0.00 C ATOM 1018 O LYS A 57 8.116 -9.205 -1.331 1.00 0.00 O ATOM 1019 CB LYS A 57 6.784 -11.788 -0.022 1.00 0.00 C ATOM 1020 CG LYS A 57 5.737 -12.883 0.032 1.00 0.00 C ATOM 1021 CD LYS A 57 5.864 -13.727 1.291 1.00 0.00 C ATOM 1022 CE LYS A 57 4.546 -13.812 2.045 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.740 -13.722 3.518 1.00 0.00 N ATOM 0 H LYS A 57 7.954 -13.345 -1.647 1.00 0.00 H new ATOM 0 HA LYS A 57 6.321 -10.936 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.673 -12.115 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.405 -10.905 0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.743 -12.437 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.835 -13.522 -0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.197 -14.730 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.628 -13.300 1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.888 -13.008 1.716 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.049 -14.751 1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.817 -13.784 3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.347 -14.504 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.191 -12.815 3.754 1.00 0.00 H new ATOM 1037 N MET A 58 9.546 -10.925 -1.557 1.00 0.00 N ATOM 1038 CA MET A 58 10.728 -10.078 -1.582 1.00 0.00 C ATOM 1039 C MET A 58 10.587 -9.026 -2.673 1.00 0.00 C ATOM 1040 O MET A 58 11.178 -7.948 -2.600 1.00 0.00 O ATOM 1041 CB MET A 58 11.975 -10.924 -1.830 1.00 0.00 C ATOM 1042 CG MET A 58 12.538 -11.569 -0.572 1.00 0.00 C ATOM 1043 SD MET A 58 14.122 -10.864 -0.074 1.00 0.00 S ATOM 1044 CE MET A 58 14.081 -11.150 1.693 1.00 0.00 C ATOM 0 H MET A 58 9.739 -11.923 -1.643 1.00 0.00 H new ATOM 0 HA MET A 58 10.827 -9.580 -0.618 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.736 -11.705 -2.552 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.744 -10.297 -2.282 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.822 -11.453 0.242 1.00 0.00 H new ATOM 0 HG3 MET A 58 12.659 -12.639 -0.741 1.00 0.00 H new ATOM 0 HE1 MET A 58 14.996 -10.767 2.145 1.00 0.00 H new ATOM 0 HE2 MET A 58 13.221 -10.637 2.125 1.00 0.00 H new ATOM 0 HE3 MET A 58 14.000 -12.220 1.887 1.00 0.00 H new ATOM 1054 N LYS A 59 9.787 -9.356 -3.680 1.00 0.00 N ATOM 1055 CA LYS A 59 9.540 -8.459 -4.794 1.00 0.00 C ATOM 1056 C LYS A 59 8.348 -7.558 -4.502 1.00 0.00 C ATOM 1057 O LYS A 59 8.434 -6.338 -4.632 1.00 0.00 O ATOM 1058 CB LYS A 59 9.295 -9.256 -6.074 1.00 0.00 C ATOM 1059 CG LYS A 59 8.425 -10.490 -5.898 1.00 0.00 C ATOM 1060 CD LYS A 59 8.273 -11.255 -7.204 1.00 0.00 C ATOM 1061 CE LYS A 59 6.828 -11.660 -7.454 1.00 0.00 C ATOM 1062 NZ LYS A 59 6.272 -11.008 -8.671 1.00 0.00 N ATOM 0 H LYS A 59 9.296 -10.248 -3.744 1.00 0.00 H new ATOM 0 HA LYS A 59 10.422 -7.834 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.828 -8.601 -6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.257 -9.562 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.864 -11.141 -5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.442 -10.194 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.626 -10.638 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.901 -12.145 -7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.768 -12.743 -7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.221 -11.392 -6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.286 -11.310 -8.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.306 -9.975 -8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.835 -11.283 -9.501 1.00 0.00 H new ATOM 1076 N TYR A 60 7.233 -8.166 -4.102 1.00 0.00 N ATOM 1077 CA TYR A 60 6.024 -7.413 -3.788 1.00 0.00 C ATOM 1078 C TYR A 60 6.321 -6.306 -2.782 1.00 0.00 C ATOM 1079 O TYR A 60 6.008 -5.140 -3.023 1.00 0.00 O ATOM 1080 CB TYR A 60 4.945 -8.331 -3.228 1.00 0.00 C ATOM 1081 CG TYR A 60 4.459 -9.378 -4.199 1.00 0.00 C ATOM 1082 CD1 TYR A 60 4.116 -9.040 -5.501 1.00 0.00 C ATOM 1083 CD2 TYR A 60 4.331 -10.703 -3.809 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.661 -9.996 -6.389 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.878 -11.665 -4.689 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.544 -11.307 -5.979 1.00 0.00 C ATOM 1087 OH TYR A 60 3.093 -12.264 -6.859 1.00 0.00 O ATOM 0 H TYR A 60 7.143 -9.176 -3.988 1.00 0.00 H new ATOM 0 HA TYR A 60 5.664 -6.965 -4.714 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.332 -8.828 -2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.097 -7.725 -2.910 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.206 -8.014 -5.825 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.590 -10.987 -2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.398 -9.718 -7.399 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.785 -12.693 -4.370 1.00 0.00 H new ATOM 0 HH TYR A 60 2.291 -12.692 -6.494 1.00 0.00 H new ATOM 1097 N ILE A 61 6.936 -6.671 -1.656 1.00 0.00 N ATOM 1098 CA ILE A 61 7.274 -5.684 -0.637 1.00 0.00 C ATOM 1099 C ILE A 61 8.215 -4.640 -1.224 1.00 0.00 C ATOM 1100 O ILE A 61 8.059 -3.443 -0.982 1.00 0.00 O ATOM 1101 CB ILE A 61 7.932 -6.320 0.611 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.896 -7.071 1.453 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.600 -5.245 1.458 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.311 -8.288 0.772 1.00 0.00 C ATOM 0 H ILE A 61 7.206 -7.629 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 61 6.340 -5.221 -0.317 1.00 0.00 H new ATOM 0 HB ILE A 61 8.685 -7.031 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.360 -7.380 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.087 -6.387 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.059 -5.705 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.366 -4.741 0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.853 -4.519 1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.587 -8.763 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.815 -7.986 -0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.109 -8.994 0.541 1.00 0.00 H new ATOM 1116 N GLN A 62 9.174 -5.101 -2.020 1.00 0.00 N ATOM 1117 CA GLN A 62 10.120 -4.207 -2.664 1.00 0.00 C ATOM 1118 C GLN A 62 9.393 -3.373 -3.704 1.00 0.00 C ATOM 1119 O GLN A 62 9.873 -2.321 -4.123 1.00 0.00 O ATOM 1120 CB GLN A 62 11.252 -5.000 -3.318 1.00 0.00 C ATOM 1121 CG GLN A 62 12.455 -5.202 -2.411 1.00 0.00 C ATOM 1122 CD GLN A 62 13.753 -4.743 -3.047 1.00 0.00 C ATOM 1123 OE1 GLN A 62 14.610 -4.158 -2.383 1.00 0.00 O ATOM 1124 NE2 GLN A 62 13.905 -5.007 -4.339 1.00 0.00 N ATOM 0 H GLN A 62 9.314 -6.089 -2.232 1.00 0.00 H new ATOM 0 HA GLN A 62 10.558 -3.550 -1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.872 -5.974 -3.626 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.572 -4.482 -4.222 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.299 -4.656 -1.480 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.536 -6.258 -2.152 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.169 -5.494 -4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.758 -4.723 -4.821 1.00 0.00 H new ATOM 1133 N ASP A 63 8.213 -3.845 -4.096 1.00 0.00 N ATOM 1134 CA ASP A 63 7.396 -3.140 -5.063 1.00 0.00 C ATOM 1135 C ASP A 63 6.439 -2.205 -4.334 1.00 0.00 C ATOM 1136 O ASP A 63 5.969 -1.212 -4.888 1.00 0.00 O ATOM 1137 CB ASP A 63 6.613 -4.127 -5.931 1.00 0.00 C ATOM 1138 CG ASP A 63 5.753 -3.432 -6.971 1.00 0.00 C ATOM 1139 OD1 ASP A 63 5.948 -2.217 -7.185 1.00 0.00 O ATOM 1140 OD2 ASP A 63 4.888 -4.103 -7.570 1.00 0.00 O ATOM 0 H ASP A 63 7.806 -4.715 -3.754 1.00 0.00 H new ATOM 0 HA ASP A 63 8.045 -2.556 -5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.311 -4.799 -6.431 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.979 -4.743 -5.293 1.00 0.00 H new ATOM 1145 N PHE A 64 6.171 -2.538 -3.075 1.00 0.00 N ATOM 1146 CA PHE A 64 5.287 -1.750 -2.234 1.00 0.00 C ATOM 1147 C PHE A 64 6.064 -0.609 -1.579 1.00 0.00 C ATOM 1148 O PHE A 64 5.545 0.494 -1.405 1.00 0.00 O ATOM 1149 CB PHE A 64 4.653 -2.663 -1.174 1.00 0.00 C ATOM 1150 CG PHE A 64 4.542 -2.052 0.191 1.00 0.00 C ATOM 1151 CD1 PHE A 64 3.470 -1.239 0.519 1.00 0.00 C ATOM 1152 CD2 PHE A 64 5.513 -2.296 1.148 1.00 0.00 C ATOM 1153 CE1 PHE A 64 3.367 -0.680 1.778 1.00 0.00 C ATOM 1154 CE2 PHE A 64 5.418 -1.739 2.408 1.00 0.00 C ATOM 1155 CZ PHE A 64 4.344 -0.930 2.724 1.00 0.00 C ATOM 0 H PHE A 64 6.561 -3.360 -2.614 1.00 0.00 H new ATOM 0 HA PHE A 64 4.495 -1.311 -2.841 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.657 -2.951 -1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.242 -3.577 -1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.706 -1.040 -0.218 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.354 -2.929 0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.525 -0.049 2.023 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.182 -1.936 3.145 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.267 -0.493 3.709 1.00 0.00 H new ATOM 1165 N GLN A 65 7.311 -0.891 -1.213 1.00 0.00 N ATOM 1166 CA GLN A 65 8.165 0.099 -0.572 1.00 0.00 C ATOM 1167 C GLN A 65 8.778 1.053 -1.596 1.00 0.00 C ATOM 1168 O GLN A 65 8.894 2.251 -1.344 1.00 0.00 O ATOM 1169 CB GLN A 65 9.265 -0.598 0.232 1.00 0.00 C ATOM 1170 CG GLN A 65 10.294 -1.308 -0.630 1.00 0.00 C ATOM 1171 CD GLN A 65 11.506 -1.758 0.159 1.00 0.00 C ATOM 1172 OE1 GLN A 65 12.594 -1.196 0.024 1.00 0.00 O ATOM 1173 NE2 GLN A 65 11.327 -2.776 0.992 1.00 0.00 N ATOM 0 H GLN A 65 7.752 -1.800 -1.351 1.00 0.00 H new ATOM 0 HA GLN A 65 7.548 0.690 0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.772 0.140 0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.807 -1.322 0.906 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.831 -2.174 -1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.614 -0.641 -1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.409 -3.213 1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.107 -3.121 1.551 1.00 0.00 H new ATOM 1182 N ARG A 66 9.172 0.515 -2.749 1.00 0.00 N ATOM 1183 CA ARG A 66 9.772 1.331 -3.798 1.00 0.00 C ATOM 1184 C ARG A 66 8.761 2.332 -4.350 1.00 0.00 C ATOM 1185 O ARG A 66 9.127 3.427 -4.780 1.00 0.00 O ATOM 1186 CB ARG A 66 10.326 0.448 -4.922 1.00 0.00 C ATOM 1187 CG ARG A 66 9.262 -0.116 -5.854 1.00 0.00 C ATOM 1188 CD ARG A 66 9.331 0.524 -7.232 1.00 0.00 C ATOM 1189 NE ARG A 66 8.064 0.417 -7.952 1.00 0.00 N ATOM 1190 CZ ARG A 66 7.686 -0.664 -8.633 1.00 0.00 C ATOM 1191 NH1 ARG A 66 8.473 -1.732 -8.690 1.00 0.00 N ATOM 1192 NH2 ARG A 66 6.518 -0.676 -9.260 1.00 0.00 N ATOM 0 H ARG A 66 9.087 -0.475 -2.978 1.00 0.00 H new ATOM 0 HA ARG A 66 10.601 1.889 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.036 1.030 -5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.881 -0.379 -4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.392 -1.194 -5.946 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.275 0.051 -5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.602 1.575 -7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.120 0.047 -7.814 1.00 0.00 H new ATOM 0 HE ARG A 66 7.432 1.217 -7.932 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.373 -1.728 -8.211 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.177 -2.556 -9.213 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.910 0.142 -9.221 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.228 -1.503 -9.782 1.00 0.00 H new ATOM 1206 N GLU A 67 7.488 1.952 -4.329 1.00 0.00 N ATOM 1207 CA GLU A 67 6.426 2.819 -4.818 1.00 0.00 C ATOM 1208 C GLU A 67 6.162 3.944 -3.825 1.00 0.00 C ATOM 1209 O GLU A 67 6.111 5.116 -4.195 1.00 0.00 O ATOM 1210 CB GLU A 67 5.146 2.011 -5.054 1.00 0.00 C ATOM 1211 CG GLU A 67 4.754 1.905 -6.519 1.00 0.00 C ATOM 1212 CD GLU A 67 3.275 2.150 -6.747 1.00 0.00 C ATOM 1213 OE1 GLU A 67 2.879 3.328 -6.861 1.00 0.00 O ATOM 1214 OE2 GLU A 67 2.513 1.162 -6.810 1.00 0.00 O ATOM 0 H GLU A 67 7.168 1.049 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 67 6.743 3.256 -5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.280 1.008 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.328 2.472 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.331 2.625 -7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.016 0.914 -6.890 1.00 0.00 H new ATOM 1221 N LYS A 68 6.005 3.576 -2.557 1.00 0.00 N ATOM 1222 CA LYS A 68 5.758 4.551 -1.502 1.00 0.00 C ATOM 1223 C LYS A 68 7.000 5.392 -1.228 1.00 0.00 C ATOM 1224 O LYS A 68 6.926 6.429 -0.568 1.00 0.00 O ATOM 1225 CB LYS A 68 5.310 3.844 -0.222 1.00 0.00 C ATOM 1226 CG LYS A 68 3.800 3.721 -0.091 1.00 0.00 C ATOM 1227 CD LYS A 68 3.375 3.554 1.360 1.00 0.00 C ATOM 1228 CE LYS A 68 2.357 4.608 1.769 1.00 0.00 C ATOM 1229 NZ LYS A 68 2.423 4.906 3.225 1.00 0.00 N ATOM 0 H LYS A 68 6.045 2.609 -2.236 1.00 0.00 H new ATOM 0 HA LYS A 68 4.964 5.217 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.751 2.848 -0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.698 4.389 0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.325 4.608 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.452 2.868 -0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.949 2.561 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.250 3.622 2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.533 5.522 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.355 4.263 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.714 5.629 3.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.230 4.039 3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.371 5.259 3.464 1.00 0.00 H new ATOM 1243 N GLN A 69 8.138 4.939 -1.738 1.00 0.00 N ATOM 1244 CA GLN A 69 9.394 5.647 -1.554 1.00 0.00 C ATOM 1245 C GLN A 69 9.470 6.867 -2.465 1.00 0.00 C ATOM 1246 O GLN A 69 9.973 7.919 -2.071 1.00 0.00 O ATOM 1247 CB GLN A 69 10.560 4.704 -1.842 1.00 0.00 C ATOM 1248 CG GLN A 69 11.927 5.346 -1.659 1.00 0.00 C ATOM 1249 CD GLN A 69 12.946 4.838 -2.662 1.00 0.00 C ATOM 1250 OE1 GLN A 69 12.840 5.100 -3.859 1.00 0.00 O ATOM 1251 NE2 GLN A 69 13.941 4.104 -2.173 1.00 0.00 N ATOM 0 H GLN A 69 8.215 4.081 -2.284 1.00 0.00 H new ATOM 0 HA GLN A 69 9.451 5.991 -0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.485 3.837 -1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.475 4.337 -2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.833 6.427 -1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.286 5.148 -0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.989 3.912 -1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 69 14.656 3.733 -2.798 1.00 0.00 H new ATOM 1260 N GLU A 70 8.965 6.718 -3.685 1.00 0.00 N ATOM 1261 CA GLU A 70 8.973 7.805 -4.655 1.00 0.00 C ATOM 1262 C GLU A 70 7.610 8.489 -4.715 1.00 0.00 C ATOM 1263 O GLU A 70 7.522 9.717 -4.751 1.00 0.00 O ATOM 1264 CB GLU A 70 9.353 7.278 -6.039 1.00 0.00 C ATOM 1265 CG GLU A 70 10.074 8.300 -6.902 1.00 0.00 C ATOM 1266 CD GLU A 70 9.653 8.234 -8.358 1.00 0.00 C ATOM 1267 OE1 GLU A 70 8.472 8.522 -8.648 1.00 0.00 O ATOM 1268 OE2 GLU A 70 10.503 7.894 -9.207 1.00 0.00 O ATOM 0 H GLU A 70 8.545 5.853 -4.025 1.00 0.00 H new ATOM 0 HA GLU A 70 9.714 8.538 -4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.989 6.400 -5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.450 6.952 -6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.877 9.300 -6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.149 8.137 -6.831 1.00 0.00 H new ATOM 1275 N PHE A 71 6.551 7.686 -4.729 1.00 0.00 N ATOM 1276 CA PHE A 71 5.193 8.215 -4.786 1.00 0.00 C ATOM 1277 C PHE A 71 4.891 9.078 -3.564 1.00 0.00 C ATOM 1278 O PHE A 71 4.062 9.985 -3.627 1.00 0.00 O ATOM 1279 CB PHE A 71 4.181 7.073 -4.881 1.00 0.00 C ATOM 1280 CG PHE A 71 2.917 7.454 -5.597 1.00 0.00 C ATOM 1281 CD1 PHE A 71 1.963 8.240 -4.975 1.00 0.00 C ATOM 1282 CD2 PHE A 71 2.687 7.026 -6.896 1.00 0.00 C ATOM 1283 CE1 PHE A 71 0.799 8.594 -5.633 1.00 0.00 C ATOM 1284 CE2 PHE A 71 1.526 7.377 -7.558 1.00 0.00 C ATOM 1285 CZ PHE A 71 0.581 8.161 -6.926 1.00 0.00 C ATOM 0 H PHE A 71 6.607 6.668 -4.702 1.00 0.00 H new ATOM 0 HA PHE A 71 5.111 8.838 -5.677 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.642 6.231 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.932 6.733 -3.876 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.129 8.581 -3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.422 6.412 -7.395 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.062 9.208 -5.136 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.358 7.038 -8.570 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.327 8.435 -7.442 1.00 0.00 H new ATOM 1295 N GLU A 72 5.567 8.791 -2.457 1.00 0.00 N ATOM 1296 CA GLU A 72 5.368 9.544 -1.223 1.00 0.00 C ATOM 1297 C GLU A 72 6.470 10.585 -1.024 1.00 0.00 C ATOM 1298 O GLU A 72 6.471 11.314 -0.032 1.00 0.00 O ATOM 1299 CB GLU A 72 5.326 8.594 -0.025 1.00 0.00 C ATOM 1300 CG GLU A 72 4.419 9.071 1.098 1.00 0.00 C ATOM 1301 CD GLU A 72 4.925 8.665 2.467 1.00 0.00 C ATOM 1302 OE1 GLU A 72 4.568 7.561 2.929 1.00 0.00 O ATOM 1303 OE2 GLU A 72 5.675 9.453 3.080 1.00 0.00 O ATOM 0 H GLU A 72 6.257 8.043 -2.388 1.00 0.00 H new ATOM 0 HA GLU A 72 4.415 10.068 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.989 7.613 -0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.336 8.468 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.332 10.157 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.418 8.665 0.949 1.00 0.00 H new ATOM 1310 N ARG A 73 7.409 10.649 -1.964 1.00 0.00 N ATOM 1311 CA ARG A 73 8.511 11.600 -1.881 1.00 0.00 C ATOM 1312 C ARG A 73 8.093 12.975 -2.394 1.00 0.00 C ATOM 1313 O ARG A 73 8.265 13.983 -1.709 1.00 0.00 O ATOM 1314 CB ARG A 73 9.710 11.088 -2.682 1.00 0.00 C ATOM 1315 CG ARG A 73 11.053 11.405 -2.042 1.00 0.00 C ATOM 1316 CD ARG A 73 12.206 10.988 -2.940 1.00 0.00 C ATOM 1317 NE ARG A 73 13.344 10.486 -2.173 1.00 0.00 N ATOM 1318 CZ ARG A 73 14.240 11.269 -1.574 1.00 0.00 C ATOM 1319 NH1 ARG A 73 14.133 12.589 -1.649 1.00 0.00 N ATOM 1320 NH2 ARG A 73 15.244 10.729 -0.897 1.00 0.00 N ATOM 0 H ARG A 73 7.428 10.053 -2.792 1.00 0.00 H new ATOM 0 HA ARG A 73 8.793 11.698 -0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.621 10.008 -2.803 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.681 11.524 -3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.117 12.474 -1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.132 10.891 -1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.866 10.217 -3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.522 11.839 -3.543 1.00 0.00 H new ATOM 0 HE ARG A 73 13.459 9.476 -2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.362 13.010 -2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.822 13.184 -1.188 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.330 9.715 -0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.930 11.328 -0.438 1.00 0.00 H new ATOM 1334 N ASN A 74 7.545 13.009 -3.606 1.00 0.00 N ATOM 1335 CA ASN A 74 7.106 14.262 -4.211 1.00 0.00 C ATOM 1336 C ASN A 74 5.753 14.695 -3.658 1.00 0.00 C ATOM 1337 O ASN A 74 5.583 15.839 -3.235 1.00 0.00 O ATOM 1338 CB ASN A 74 7.024 14.117 -5.731 1.00 0.00 C ATOM 1339 CG ASN A 74 8.342 14.422 -6.412 1.00 0.00 C ATOM 1340 OD1 ASN A 74 8.644 15.576 -6.717 1.00 0.00 O ATOM 1341 ND2 ASN A 74 9.138 13.387 -6.656 1.00 0.00 N ATOM 0 H ASN A 74 7.395 12.184 -4.187 1.00 0.00 H new ATOM 0 HA ASN A 74 7.840 15.029 -3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.716 13.102 -5.980 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.255 14.787 -6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.038 13.533 -7.113 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.849 12.447 -6.387 1.00 0.00 H new ATOM 1348 N LEU A 75 4.791 13.778 -3.666 1.00 0.00 N ATOM 1349 CA LEU A 75 3.452 14.071 -3.167 1.00 0.00 C ATOM 1350 C LEU A 75 3.501 14.581 -1.730 1.00 0.00 C ATOM 1351 O LEU A 75 2.643 15.353 -1.305 1.00 0.00 O ATOM 1352 CB LEU A 75 2.571 12.820 -3.245 1.00 0.00 C ATOM 1353 CG LEU A 75 1.633 12.758 -4.452 1.00 0.00 C ATOM 1354 CD1 LEU A 75 0.803 11.484 -4.414 1.00 0.00 C ATOM 1355 CD2 LEU A 75 0.729 13.981 -4.491 1.00 0.00 C ATOM 0 H LEU A 75 4.913 12.826 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 75 3.023 14.852 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.216 11.941 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.972 12.760 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 75 2.239 12.750 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.141 11.455 -5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.465 10.618 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.208 11.465 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.069 13.918 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.131 14.020 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.338 14.882 -4.564 1.00 0.00 H new ATOM 1367 N ALA A 76 4.508 14.140 -0.984 1.00 0.00 N ATOM 1368 CA ALA A 76 4.665 14.551 0.408 1.00 0.00 C ATOM 1369 C ALA A 76 5.020 16.032 0.522 1.00 0.00 C ATOM 1370 O ALA A 76 4.971 16.605 1.610 1.00 0.00 O ATOM 1371 CB ALA A 76 5.720 13.696 1.091 1.00 0.00 C ATOM 0 H ALA A 76 5.227 13.499 -1.319 1.00 0.00 H new ATOM 0 HA ALA A 76 3.709 14.404 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.828 14.012 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.416 12.650 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.673 13.813 0.575 1.00 0.00 H new ATOM 1377 N ARG A 77 5.373 16.649 -0.602 1.00 0.00 N ATOM 1378 CA ARG A 77 5.730 18.064 -0.617 1.00 0.00 C ATOM 1379 C ARG A 77 4.485 18.954 -0.608 1.00 0.00 C ATOM 1380 O ARG A 77 4.591 20.179 -0.628 1.00 0.00 O ATOM 1381 CB ARG A 77 6.590 18.378 -1.843 1.00 0.00 C ATOM 1382 CG ARG A 77 7.792 17.460 -1.991 1.00 0.00 C ATOM 1383 CD ARG A 77 8.533 17.712 -3.293 1.00 0.00 C ATOM 1384 NE ARG A 77 9.215 19.004 -3.292 1.00 0.00 N ATOM 1385 CZ ARG A 77 10.201 19.323 -4.129 1.00 0.00 C ATOM 1386 NH1 ARG A 77 10.624 18.446 -5.030 1.00 0.00 N ATOM 1387 NH2 ARG A 77 10.764 20.521 -4.064 1.00 0.00 N ATOM 0 H ARG A 77 5.419 16.192 -1.513 1.00 0.00 H new ATOM 0 HA ARG A 77 6.301 18.275 0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.973 18.303 -2.739 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.936 19.410 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.470 17.610 -1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.464 16.421 -1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.261 16.917 -3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.829 17.674 -4.124 1.00 0.00 H new ATOM 0 HE ARG A 77 8.919 19.703 -2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.194 17.523 -5.084 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.379 18.695 -5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.442 21.199 -3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.519 20.765 -4.705 1.00 0.00 H new ATOM 1401 N PHE A 78 3.307 18.329 -0.581 1.00 0.00 N ATOM 1402 CA PHE A 78 2.039 19.056 -0.572 1.00 0.00 C ATOM 1403 C PHE A 78 2.067 20.243 0.397 1.00 0.00 C ATOM 1404 O PHE A 78 1.683 21.355 0.036 1.00 0.00 O ATOM 1405 CB PHE A 78 0.900 18.102 -0.197 1.00 0.00 C ATOM 1406 CG PHE A 78 -0.428 18.780 -0.004 1.00 0.00 C ATOM 1407 CD1 PHE A 78 -0.916 19.662 -0.955 1.00 0.00 C ATOM 1408 CD2 PHE A 78 -1.187 18.533 1.129 1.00 0.00 C ATOM 1409 CE1 PHE A 78 -2.137 20.283 -0.779 1.00 0.00 C ATOM 1410 CE2 PHE A 78 -2.409 19.153 1.310 1.00 0.00 C ATOM 1411 CZ PHE A 78 -2.884 20.029 0.354 1.00 0.00 C ATOM 0 H PHE A 78 3.206 17.314 -0.565 1.00 0.00 H new ATOM 0 HA PHE A 78 1.875 19.453 -1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.801 17.347 -0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.166 17.579 0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.336 19.866 -1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.819 17.848 1.879 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.508 20.967 -1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.991 18.953 2.197 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.839 20.515 0.492 1.00 0.00 H new ATOM 1421 N ARG A 79 2.513 19.998 1.626 1.00 0.00 N ATOM 1422 CA ARG A 79 2.573 21.052 2.637 1.00 0.00 C ATOM 1423 C ARG A 79 3.957 21.699 2.708 1.00 0.00 C ATOM 1424 O ARG A 79 4.182 22.604 3.511 1.00 0.00 O ATOM 1425 CB ARG A 79 2.189 20.488 4.008 1.00 0.00 C ATOM 1426 CG ARG A 79 3.196 19.495 4.568 1.00 0.00 C ATOM 1427 CD ARG A 79 2.905 19.165 6.023 1.00 0.00 C ATOM 1428 NE ARG A 79 4.088 19.313 6.866 1.00 0.00 N ATOM 1429 CZ ARG A 79 5.013 18.370 7.024 1.00 0.00 C ATOM 1430 NH1 ARG A 79 4.902 17.207 6.394 1.00 0.00 N ATOM 1431 NH2 ARG A 79 6.057 18.591 7.810 1.00 0.00 N ATOM 0 H ARG A 79 2.837 19.085 1.946 1.00 0.00 H new ATOM 0 HA ARG A 79 1.862 21.825 2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.077 21.313 4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.217 20.001 3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.174 18.580 3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.201 19.907 4.482 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.114 19.818 6.391 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.534 18.143 6.095 1.00 0.00 H new ATOM 0 HE ARG A 79 4.213 20.194 7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.104 17.032 5.784 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.615 16.489 6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.151 19.484 8.294 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.766 17.868 7.931 1.00 0.00 H new ATOM 1445 N GLU A 80 4.879 21.235 1.871 1.00 0.00 N ATOM 1446 CA GLU A 80 6.234 21.780 1.853 1.00 0.00 C ATOM 1447 C GLU A 80 6.349 22.933 0.860 1.00 0.00 C ATOM 1448 O GLU A 80 7.143 23.853 1.053 1.00 0.00 O ATOM 1449 CB GLU A 80 7.240 20.683 1.497 1.00 0.00 C ATOM 1450 CG GLU A 80 7.493 19.699 2.627 1.00 0.00 C ATOM 1451 CD GLU A 80 8.932 19.224 2.676 1.00 0.00 C ATOM 1452 OE1 GLU A 80 9.611 19.277 1.628 1.00 0.00 O ATOM 1453 OE2 GLU A 80 9.382 18.802 3.763 1.00 0.00 O ATOM 0 H GLU A 80 4.715 20.486 1.198 1.00 0.00 H new ATOM 0 HA GLU A 80 6.457 22.162 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.877 20.137 0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.184 21.146 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.237 20.169 3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.834 18.839 2.509 1.00 0.00 H new ATOM 1460 N ASP A 81 5.553 22.876 -0.204 1.00 0.00 N ATOM 1461 CA ASP A 81 5.567 23.915 -1.229 1.00 0.00 C ATOM 1462 C ASP A 81 4.528 24.994 -0.926 1.00 0.00 C ATOM 1463 O ASP A 81 4.049 25.104 0.202 1.00 0.00 O ATOM 1464 CB ASP A 81 5.306 23.297 -2.604 1.00 0.00 C ATOM 1465 CG ASP A 81 6.289 23.784 -3.652 1.00 0.00 C ATOM 1466 OD1 ASP A 81 6.177 24.955 -4.072 1.00 0.00 O ATOM 1467 OD2 ASP A 81 7.168 22.993 -4.054 1.00 0.00 O ATOM 0 H ASP A 81 4.890 22.121 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 81 6.551 24.384 -1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.367 22.211 -2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.291 23.538 -2.921 1.00 0.00 H new ATOM 1472 N HIS A 82 4.182 25.789 -1.938 1.00 0.00 N ATOM 1473 CA HIS A 82 3.200 26.855 -1.768 1.00 0.00 C ATOM 1474 C HIS A 82 2.960 27.608 -3.078 1.00 0.00 C ATOM 1475 O HIS A 82 1.819 27.732 -3.528 1.00 0.00 O ATOM 1476 CB HIS A 82 3.658 27.832 -0.682 1.00 0.00 C ATOM 1477 CG HIS A 82 2.611 28.113 0.351 1.00 0.00 C ATOM 1478 ND1 HIS A 82 2.618 29.243 1.142 1.00 0.00 N ATOM 1479 CD2 HIS A 82 1.516 27.406 0.719 1.00 0.00 C ATOM 1480 CE1 HIS A 82 1.574 29.217 1.953 1.00 0.00 C ATOM 1481 NE2 HIS A 82 0.890 28.113 1.716 1.00 0.00 N ATOM 0 H HIS A 82 4.566 25.714 -2.880 1.00 0.00 H new ATOM 0 HA HIS A 82 2.260 26.394 -1.464 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.542 27.427 -0.190 1.00 0.00 H new ATOM 0 HB3 HIS A 82 3.955 28.770 -1.151 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.195 26.462 0.305 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.323 29.971 2.685 1.00 0.00 H new ATOM 0 HE2 HIS A 82 0.035 27.831 2.196 1.00 0.00 H new ATOM 1490 N PRO A 83 4.030 28.129 -3.707 1.00 0.00 N ATOM 1491 CA PRO A 83 3.918 28.876 -4.965 1.00 0.00 C ATOM 1492 C PRO A 83 3.050 28.165 -6.000 1.00 0.00 C ATOM 1493 O PRO A 83 1.992 28.665 -6.383 1.00 0.00 O ATOM 1494 CB PRO A 83 5.366 28.970 -5.445 1.00 0.00 C ATOM 1495 CG PRO A 83 6.175 28.934 -4.195 1.00 0.00 C ATOM 1496 CD PRO A 83 5.429 28.038 -3.243 1.00 0.00 C ATOM 0 HA PRO A 83 3.436 29.843 -4.822 1.00 0.00 H new ATOM 0 HB2 PRO A 83 5.620 28.141 -6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.540 29.889 -6.004 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.176 28.549 -4.389 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.293 29.934 -3.778 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.799 27.014 -3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.532 28.374 -2.211 1.00 0.00 H new ATOM 1504 N ASP A 84 3.502 26.999 -6.451 1.00 0.00 N ATOM 1505 CA ASP A 84 2.760 26.225 -7.441 1.00 0.00 C ATOM 1506 C ASP A 84 2.385 24.854 -6.886 1.00 0.00 C ATOM 1507 O ASP A 84 1.253 24.638 -6.453 1.00 0.00 O ATOM 1508 CB ASP A 84 3.586 26.071 -8.722 1.00 0.00 C ATOM 1509 CG ASP A 84 3.021 26.878 -9.875 1.00 0.00 C ATOM 1510 OD1 ASP A 84 2.283 27.852 -9.613 1.00 0.00 O ATOM 1511 OD2 ASP A 84 3.317 26.538 -11.040 1.00 0.00 O ATOM 0 H ASP A 84 4.376 26.570 -6.148 1.00 0.00 H new ATOM 0 HA ASP A 84 1.841 26.762 -7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.612 26.386 -8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.623 25.018 -9.003 1.00 0.00 H new ATOM 1516 N LEU A 85 3.345 23.933 -6.894 1.00 0.00 N ATOM 1517 CA LEU A 85 3.116 22.585 -6.384 1.00 0.00 C ATOM 1518 C LEU A 85 2.120 21.824 -7.254 1.00 0.00 C ATOM 1519 O LEU A 85 1.133 22.388 -7.725 1.00 0.00 O ATOM 1520 CB LEU A 85 2.606 22.644 -4.942 1.00 0.00 C ATOM 1521 CG LEU A 85 2.799 21.361 -4.127 1.00 0.00 C ATOM 1522 CD1 LEU A 85 4.229 20.859 -4.246 1.00 0.00 C ATOM 1523 CD2 LEU A 85 2.434 21.599 -2.670 1.00 0.00 C ATOM 0 H LEU A 85 4.288 24.096 -7.248 1.00 0.00 H new ATOM 0 HA LEU A 85 4.067 22.053 -6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.112 23.461 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.544 22.888 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 85 2.136 20.595 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.345 19.947 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.455 20.649 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.914 21.620 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.576 20.678 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.072 22.381 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.391 21.909 -2.602 1.00 0.00 H new ATOM 1535 N ILE A 86 2.385 20.537 -7.452 1.00 0.00 N ATOM 1536 CA ILE A 86 1.513 19.689 -8.255 1.00 0.00 C ATOM 1537 C ILE A 86 0.620 18.825 -7.365 1.00 0.00 C ATOM 1538 O ILE A 86 -0.391 18.290 -7.819 1.00 0.00 O ATOM 1539 CB ILE A 86 2.327 18.779 -9.200 1.00 0.00 C ATOM 1540 CG1 ILE A 86 1.391 17.960 -10.092 1.00 0.00 C ATOM 1541 CG2 ILE A 86 3.242 17.862 -8.399 1.00 0.00 C ATOM 1542 CD1 ILE A 86 1.946 17.705 -11.477 1.00 0.00 C ATOM 0 H ILE A 86 3.199 20.058 -7.066 1.00 0.00 H new ATOM 0 HA ILE A 86 0.889 20.350 -8.856 1.00 0.00 H new ATOM 0 HB ILE A 86 2.946 19.409 -9.839 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.187 17.004 -9.610 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.438 18.482 -10.181 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.808 17.227 -9.081 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.931 18.463 -7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.642 17.238 -7.736 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.230 17.119 -12.054 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.124 18.656 -11.978 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.884 17.155 -11.398 1.00 0.00 H new ATOM 1554 N GLN A 87 0.999 18.698 -6.093 1.00 0.00 N ATOM 1555 CA GLN A 87 0.235 17.904 -5.135 1.00 0.00 C ATOM 1556 C GLN A 87 -1.243 18.291 -5.150 1.00 0.00 C ATOM 1557 O GLN A 87 -2.109 17.484 -4.807 1.00 0.00 O ATOM 1558 CB GLN A 87 0.801 18.089 -3.725 1.00 0.00 C ATOM 1559 CG GLN A 87 1.930 17.128 -3.386 1.00 0.00 C ATOM 1560 CD GLN A 87 3.168 17.361 -4.229 1.00 0.00 C ATOM 1561 OE1 GLN A 87 4.042 18.148 -3.864 1.00 0.00 O ATOM 1562 NE2 GLN A 87 3.249 16.678 -5.364 1.00 0.00 N ATOM 0 H GLN A 87 1.833 19.137 -5.703 1.00 0.00 H new ATOM 0 HA GLN A 87 0.320 16.857 -5.426 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.163 19.112 -3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.003 17.960 -3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.188 17.234 -2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.585 16.104 -3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.501 16.036 -5.627 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.059 16.795 -5.973 1.00 0.00 H new ATOM 1571 N ASN A 88 -1.526 19.528 -5.545 1.00 0.00 N ATOM 1572 CA ASN A 88 -2.898 20.019 -5.602 1.00 0.00 C ATOM 1573 C ASN A 88 -3.059 21.050 -6.714 1.00 0.00 C ATOM 1574 O ASN A 88 -2.898 22.250 -6.494 1.00 0.00 O ATOM 1575 CB ASN A 88 -3.299 20.627 -4.255 1.00 0.00 C ATOM 1576 CG ASN A 88 -2.431 21.810 -3.870 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -2.889 22.953 -3.861 1.00 0.00 O ATOM 1578 ND2 ASN A 88 -1.170 21.542 -3.553 1.00 0.00 N ATOM 0 H ASN A 88 -0.823 20.209 -5.831 1.00 0.00 H new ATOM 0 HA ASN A 88 -3.554 19.176 -5.819 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.341 20.944 -4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.231 19.863 -3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.539 22.298 -3.289 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.832 20.580 -3.574 1.00 0.00 H new ATOM 1585 N ALA A 89 -3.377 20.573 -7.911 1.00 0.00 N ATOM 1586 CA ALA A 89 -3.559 21.451 -9.062 1.00 0.00 C ATOM 1587 C ALA A 89 -4.992 21.970 -9.146 1.00 0.00 C ATOM 1588 O ALA A 89 -5.616 21.926 -10.207 1.00 0.00 O ATOM 1589 CB ALA A 89 -3.181 20.720 -10.343 1.00 0.00 C ATOM 0 H ALA A 89 -3.514 19.582 -8.111 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.902 22.312 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.321 21.384 -11.196 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.137 20.411 -10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.814 19.841 -10.461 1.00 0.00 H new ATOM 1595 N LYS A 90 -5.505 22.468 -8.026 1.00 0.00 N ATOM 1596 CA LYS A 90 -6.863 23.002 -7.973 1.00 0.00 C ATOM 1597 C LYS A 90 -7.892 21.930 -8.331 1.00 0.00 C ATOM 1598 O LYS A 90 -8.473 21.299 -7.448 1.00 0.00 O ATOM 1599 CB LYS A 90 -6.998 24.201 -8.914 1.00 0.00 C ATOM 1600 CG LYS A 90 -6.670 25.532 -8.256 1.00 0.00 C ATOM 1601 CD LYS A 90 -7.762 26.561 -8.499 1.00 0.00 C ATOM 1602 CE LYS A 90 -8.805 26.541 -7.395 1.00 0.00 C ATOM 1603 NZ LYS A 90 -9.945 25.641 -7.724 1.00 0.00 N ATOM 0 H LYS A 90 -5.001 22.513 -7.141 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.057 23.329 -6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.339 24.056 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.017 24.237 -9.299 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.539 25.386 -7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.723 25.907 -8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.319 27.555 -8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.242 26.363 -9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.342 26.215 -6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.177 27.552 -7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.635 25.655 -6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.403 25.967 -8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.594 24.671 -7.858 1.00 0.00 H new ATOM 1617 N LYS A 91 -8.118 21.735 -9.628 1.00 0.00 N ATOM 1618 CA LYS A 91 -9.081 20.743 -10.094 1.00 0.00 C ATOM 1619 C LYS A 91 -8.664 20.173 -11.444 1.00 0.00 C ATOM 1620 O LYS A 91 -8.332 18.970 -11.502 1.00 0.00 O ATOM 1621 CB LYS A 91 -10.475 21.367 -10.198 1.00 0.00 C ATOM 1622 CG LYS A 91 -10.967 21.978 -8.895 1.00 0.00 C ATOM 1623 CD LYS A 91 -12.315 22.657 -9.073 1.00 0.00 C ATOM 1624 CE LYS A 91 -12.736 23.402 -7.815 1.00 0.00 C ATOM 1625 NZ LYS A 91 -13.387 24.704 -8.130 1.00 0.00 N ATOM 0 H LYS A 91 -7.648 22.250 -10.373 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.107 19.929 -9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.463 22.137 -10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -11.183 20.604 -10.522 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.047 21.201 -8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.238 22.703 -8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.265 23.354 -9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.069 21.911 -9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.424 22.782 -7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.862 23.576 -7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.658 25.179 -7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.722 25.306 -8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.235 24.537 -8.708 1.00 0.00 H new TER 1639 LYS A 91