USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 HIS : no HD1:sc= -10.5! C(o=-14!,f=-15!) USER MOD Set 1.2: A 36 MET CE :methyl 142:sc= -3.39! (180deg=0) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 153:sc= -0.0184 (180deg=-0.414) USER MOD Set 2.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 5 LYS NZ :NH3+ -148:sc= -0.627 (180deg=-0.671) USER MOD Set 3.2: A 7 HIS : no HE2:sc= -3.95 K(o=-4.6,f=-6.4) USER MOD Set 4.1: A 3 LYS NZ :NH3+ 158:sc= -0.0154 (180deg=0) USER MOD Set 4.2: A 12 LYS NZ :NH3+ 145:sc= -0.108 (180deg=-1.92) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0549 (180deg=-0.0053) USER MOD Single : A 2 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0703) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 170:sc= -0.844 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 158:sc= -0.011 (180deg=-1.08) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 144:sc= -0.386 (180deg=-1.61!) USER MOD Single : A 29 TYR OH : rot 165:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -3.35 K(o=-3.3,f=-12!) USER MOD Single : A 42 THR OG1 : rot 92:sc= 1.03 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -85:sc= 0.264 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00203) 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+ 167:sc= -0.289 (180deg=-0.478) USER MOD Single : A 60 TYR OH : rot -93:sc= -0.0435 USER MOD Single : A 62 GLN : amide:sc= -0.101 K(o=-0.1,f=-2!) USER MOD Single : A 65 GLN : amide:sc= -0.327 K(o=-0.33,f=-2.2!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.047) USER MOD Single : A 82 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.35) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 88 ASN : amide:sc= -0.483 K(o=-0.48,f=0.33) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.148) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.416 7.898 -4.240 1.00 0.00 N ATOM 2 CA MET A 1 -15.260 8.169 -3.047 1.00 0.00 C ATOM 3 C MET A 1 -14.545 7.765 -1.762 1.00 0.00 C ATOM 4 O MET A 1 -13.621 6.954 -1.783 1.00 0.00 O ATOM 5 CB MET A 1 -16.570 7.393 -3.191 1.00 0.00 C ATOM 6 CG MET A 1 -17.555 8.035 -4.154 1.00 0.00 C ATOM 7 SD MET A 1 -19.057 7.059 -4.365 1.00 0.00 S ATOM 8 CE MET A 1 -19.986 8.104 -5.484 1.00 0.00 C ATOM 0 H1 MET A 1 -14.169 8.796 -4.702 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.546 7.410 -3.946 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.941 7.298 -4.908 1.00 0.00 H new ATOM 0 HA MET A 1 -15.462 9.238 -2.986 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.348 6.382 -3.532 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.039 7.303 -2.211 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.820 9.027 -3.789 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.075 8.169 -5.123 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.943 7.634 -5.710 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.159 9.074 -5.017 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.422 8.241 -6.407 1.00 0.00 H new ATOM 20 N LYS A 2 -14.982 8.336 -0.643 1.00 0.00 N ATOM 21 CA LYS A 2 -14.384 8.034 0.652 1.00 0.00 C ATOM 22 C LYS A 2 -12.901 8.396 0.664 1.00 0.00 C ATOM 23 O LYS A 2 -12.101 7.757 1.348 1.00 0.00 O ATOM 24 CB LYS A 2 -14.565 6.551 0.987 1.00 0.00 C ATOM 25 CG LYS A 2 -15.266 6.310 2.315 1.00 0.00 C ATOM 26 CD LYS A 2 -14.575 5.223 3.124 1.00 0.00 C ATOM 27 CE LYS A 2 -14.729 5.458 4.618 1.00 0.00 C ATOM 28 NZ LYS A 2 -16.159 5.564 5.020 1.00 0.00 N ATOM 0 H LYS A 2 -15.747 9.009 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.891 8.633 1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.137 6.074 0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.587 6.070 1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.285 7.236 2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.303 6.026 2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.994 4.251 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.516 5.194 2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.258 4.641 5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.205 6.372 4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.230 5.554 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.557 6.452 4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.690 4.760 4.629 1.00 0.00 H new ATOM 42 N LYS A 3 -12.543 9.425 -0.097 1.00 0.00 N ATOM 43 CA LYS A 3 -11.157 9.872 -0.174 1.00 0.00 C ATOM 44 C LYS A 3 -11.034 11.112 -1.054 1.00 0.00 C ATOM 45 O LYS A 3 -11.396 11.089 -2.231 1.00 0.00 O ATOM 46 CB LYS A 3 -10.267 8.752 -0.719 1.00 0.00 C ATOM 47 CG LYS A 3 -8.989 8.550 0.075 1.00 0.00 C ATOM 48 CD LYS A 3 -8.551 7.095 0.068 1.00 0.00 C ATOM 49 CE LYS A 3 -9.090 6.345 1.277 1.00 0.00 C ATOM 50 NZ LYS A 3 -9.276 4.895 0.994 1.00 0.00 N ATOM 0 H LYS A 3 -13.193 9.965 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.827 10.130 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -10.832 7.820 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.010 8.975 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.197 9.171 -0.344 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.142 8.880 1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.900 6.613 -0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.462 7.042 0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.403 6.466 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.042 6.781 1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.277 4.364 1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.182 4.750 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.499 4.556 0.392 1.00 0.00 H new ATOM 64 N LEU A 4 -10.519 12.192 -0.477 1.00 0.00 N ATOM 65 CA LEU A 4 -10.347 13.441 -1.210 1.00 0.00 C ATOM 66 C LEU A 4 -9.210 14.268 -0.619 1.00 0.00 C ATOM 67 O LEU A 4 -8.914 14.172 0.573 1.00 0.00 O ATOM 68 CB LEU A 4 -11.646 14.251 -1.191 1.00 0.00 C ATOM 69 CG LEU A 4 -11.658 15.476 -2.108 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.026 15.074 -3.528 1.00 0.00 C ATOM 71 CD2 LEU A 4 -12.626 16.524 -1.580 1.00 0.00 C ATOM 0 H LEU A 4 -10.213 12.228 0.496 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.095 13.195 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.469 13.596 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.837 14.579 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.657 15.908 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.030 15.957 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.296 14.357 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.016 14.619 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.623 17.389 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.630 16.103 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.319 16.832 -0.581 1.00 0.00 H new ATOM 83 N LYS A 5 -8.577 15.081 -1.459 1.00 0.00 N ATOM 84 CA LYS A 5 -7.471 15.925 -1.021 1.00 0.00 C ATOM 85 C LYS A 5 -6.293 15.080 -0.545 1.00 0.00 C ATOM 86 O LYS A 5 -6.440 14.238 0.340 1.00 0.00 O ATOM 87 CB LYS A 5 -7.927 16.861 0.100 1.00 0.00 C ATOM 88 CG LYS A 5 -9.267 17.526 -0.170 1.00 0.00 C ATOM 89 CD LYS A 5 -9.629 18.513 0.929 1.00 0.00 C ATOM 90 CE LYS A 5 -8.951 19.857 0.717 1.00 0.00 C ATOM 91 NZ LYS A 5 -7.694 19.975 1.507 1.00 0.00 N ATOM 0 H LYS A 5 -8.811 15.173 -2.447 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.145 16.521 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.992 16.296 1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.171 17.632 0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.231 18.044 -1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.043 16.765 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.710 18.650 0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.336 18.105 1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.728 19.988 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.635 20.657 1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.552 20.966 1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.762 19.381 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.889 19.660 0.928 1.00 0.00 H new ATOM 105 N LYS A 6 -5.128 15.309 -1.142 1.00 0.00 N ATOM 106 CA LYS A 6 -3.926 14.566 -0.780 1.00 0.00 C ATOM 107 C LYS A 6 -2.962 15.445 0.014 1.00 0.00 C ATOM 108 O LYS A 6 -1.941 15.895 -0.509 1.00 0.00 O ATOM 109 CB LYS A 6 -3.233 14.028 -2.035 1.00 0.00 C ATOM 110 CG LYS A 6 -3.598 12.590 -2.360 1.00 0.00 C ATOM 111 CD LYS A 6 -4.982 12.491 -2.985 1.00 0.00 C ATOM 112 CE LYS A 6 -5.786 11.351 -2.381 1.00 0.00 C ATOM 113 NZ LYS A 6 -7.213 11.392 -2.807 1.00 0.00 N ATOM 0 H LYS A 6 -4.991 16.002 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.224 13.726 -0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.493 14.661 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.153 14.099 -1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.859 12.172 -3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.565 11.991 -1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.516 13.430 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.887 12.341 -4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.346 10.399 -2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.730 11.403 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.727 10.599 -2.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.641 12.290 -2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.268 11.317 -3.843 1.00 0.00 H new ATOM 127 N HIS A 7 -3.293 15.685 1.278 1.00 0.00 N ATOM 128 CA HIS A 7 -2.457 16.508 2.144 1.00 0.00 C ATOM 129 C HIS A 7 -1.230 15.730 2.613 1.00 0.00 C ATOM 130 O HIS A 7 -1.185 14.503 2.508 1.00 0.00 O ATOM 131 CB HIS A 7 -3.261 16.991 3.353 1.00 0.00 C ATOM 132 CG HIS A 7 -3.902 18.328 3.149 1.00 0.00 C ATOM 133 ND1 HIS A 7 -3.202 19.446 2.746 1.00 0.00 N ATOM 134 CD2 HIS A 7 -5.189 18.727 3.296 1.00 0.00 C ATOM 135 CE1 HIS A 7 -4.029 20.472 2.654 1.00 0.00 C ATOM 136 NE2 HIS A 7 -5.240 20.063 2.982 1.00 0.00 N ATOM 0 H HIS A 7 -4.134 15.321 1.726 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.121 17.372 1.571 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -4.034 16.257 3.582 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.603 17.041 4.220 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -2.202 19.476 2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -6.020 18.109 3.603 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -3.760 21.476 2.360 1.00 0.00 H new ATOM 145 N PRO A 8 -0.213 16.432 3.140 1.00 0.00 N ATOM 146 CA PRO A 8 1.017 15.799 3.627 1.00 0.00 C ATOM 147 C PRO A 8 0.742 14.789 4.735 1.00 0.00 C ATOM 148 O PRO A 8 1.397 13.750 4.818 1.00 0.00 O ATOM 149 CB PRO A 8 1.850 16.971 4.163 1.00 0.00 C ATOM 150 CG PRO A 8 0.884 18.091 4.346 1.00 0.00 C ATOM 151 CD PRO A 8 -0.181 17.893 3.307 1.00 0.00 C ATOM 0 HA PRO A 8 1.520 15.236 2.841 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.334 16.711 5.105 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.640 17.244 3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.458 18.078 5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.376 19.055 4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.144 18.283 3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.066 18.400 2.374 1.00 0.00 H new ATOM 159 N ASP A 9 -0.235 15.097 5.582 1.00 0.00 N ATOM 160 CA ASP A 9 -0.599 14.212 6.681 1.00 0.00 C ATOM 161 C ASP A 9 -1.245 12.936 6.151 1.00 0.00 C ATOM 162 O ASP A 9 -2.204 12.990 5.382 1.00 0.00 O ATOM 163 CB ASP A 9 -1.554 14.922 7.642 1.00 0.00 C ATOM 164 CG ASP A 9 -1.785 14.133 8.916 1.00 0.00 C ATOM 165 OD1 ASP A 9 -1.517 12.913 8.917 1.00 0.00 O ATOM 166 OD2 ASP A 9 -2.234 14.736 9.915 1.00 0.00 O ATOM 0 H ASP A 9 -0.788 15.952 5.528 1.00 0.00 H new ATOM 0 HA ASP A 9 0.310 13.944 7.220 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.150 15.902 7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.509 15.089 7.143 1.00 0.00 H new ATOM 171 N PHE A 10 -0.713 11.790 6.563 1.00 0.00 N ATOM 172 CA PHE A 10 -1.239 10.505 6.123 1.00 0.00 C ATOM 173 C PHE A 10 -1.113 10.362 4.608 1.00 0.00 C ATOM 174 O PHE A 10 -2.116 10.272 3.897 1.00 0.00 O ATOM 175 CB PHE A 10 -2.702 10.354 6.547 1.00 0.00 C ATOM 176 CG PHE A 10 -3.117 8.930 6.777 1.00 0.00 C ATOM 177 CD1 PHE A 10 -2.881 7.961 5.815 1.00 0.00 C ATOM 178 CD2 PHE A 10 -3.745 8.559 7.956 1.00 0.00 C ATOM 179 CE1 PHE A 10 -3.262 6.650 6.025 1.00 0.00 C ATOM 180 CE2 PHE A 10 -4.130 7.249 8.171 1.00 0.00 C ATOM 181 CZ PHE A 10 -3.887 6.293 7.203 1.00 0.00 C ATOM 0 H PHE A 10 0.081 11.726 7.200 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.653 9.716 6.595 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.867 10.924 7.461 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.341 10.790 5.779 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.394 8.234 4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.936 9.303 8.716 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.071 5.904 5.268 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.620 6.973 9.093 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.186 5.268 7.368 1.00 0.00 H new ATOM 191 N PRO A 11 0.127 10.339 4.091 1.00 0.00 N ATOM 192 CA PRO A 11 0.385 10.209 2.653 1.00 0.00 C ATOM 193 C PRO A 11 -0.162 8.905 2.084 1.00 0.00 C ATOM 194 O PRO A 11 0.107 7.825 2.609 1.00 0.00 O ATOM 195 CB PRO A 11 1.915 10.240 2.549 1.00 0.00 C ATOM 196 CG PRO A 11 2.404 9.901 3.915 1.00 0.00 C ATOM 197 CD PRO A 11 1.376 10.440 4.865 1.00 0.00 C ATOM 0 HA PRO A 11 -0.104 10.999 2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.275 9.522 1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.269 11.222 2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.518 8.823 4.033 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.381 10.347 4.102 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.330 9.856 5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.591 11.469 5.152 1.00 0.00 H new ATOM 205 N LYS A 12 -0.932 9.012 1.004 1.00 0.00 N ATOM 206 CA LYS A 12 -1.517 7.841 0.363 1.00 0.00 C ATOM 207 C LYS A 12 -0.433 6.947 -0.231 1.00 0.00 C ATOM 208 O LYS A 12 -0.037 7.115 -1.385 1.00 0.00 O ATOM 209 CB LYS A 12 -2.498 8.269 -0.731 1.00 0.00 C ATOM 210 CG LYS A 12 -3.508 7.193 -1.095 1.00 0.00 C ATOM 211 CD LYS A 12 -4.522 6.983 0.017 1.00 0.00 C ATOM 212 CE LYS A 12 -5.031 5.550 0.043 1.00 0.00 C ATOM 213 NZ LYS A 12 -5.881 5.280 1.237 1.00 0.00 N ATOM 0 H LYS A 12 -1.164 9.898 0.556 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.055 7.273 1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.032 9.160 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.937 8.546 -1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.025 7.473 -2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.987 6.257 -1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.067 7.226 0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.361 7.666 -0.120 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.605 5.353 -0.862 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.184 4.864 0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.640 4.616 0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.298 4.864 1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.299 6.171 1.574 1.00 0.00 H new ATOM 227 N LYS A 13 0.040 5.995 0.566 1.00 0.00 N ATOM 228 CA LYS A 13 1.079 5.071 0.121 1.00 0.00 C ATOM 229 C LYS A 13 0.526 4.085 -0.904 1.00 0.00 C ATOM 230 O LYS A 13 -0.685 3.884 -0.995 1.00 0.00 O ATOM 231 CB LYS A 13 1.659 4.312 1.316 1.00 0.00 C ATOM 232 CG LYS A 13 2.704 5.101 2.089 1.00 0.00 C ATOM 233 CD LYS A 13 2.391 5.142 3.577 1.00 0.00 C ATOM 234 CE LYS A 13 2.961 6.388 4.236 1.00 0.00 C ATOM 235 NZ LYS A 13 3.918 6.052 5.326 1.00 0.00 N ATOM 0 H LYS A 13 -0.279 5.842 1.523 1.00 0.00 H new ATOM 0 HA LYS A 13 1.871 5.652 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.848 4.040 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.105 3.382 0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.686 4.652 1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.754 6.118 1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.311 5.114 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.801 4.255 4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.465 6.997 3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.147 6.989 4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.603 6.827 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.397 5.919 6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.423 5.175 5.086 1.00 0.00 H new ATOM 249 N PRO A 14 1.412 3.447 -1.692 1.00 0.00 N ATOM 250 CA PRO A 14 1.007 2.473 -2.712 1.00 0.00 C ATOM 251 C PRO A 14 0.174 1.342 -2.122 1.00 0.00 C ATOM 252 O PRO A 14 0.005 1.251 -0.906 1.00 0.00 O ATOM 253 CB PRO A 14 2.338 1.932 -3.256 1.00 0.00 C ATOM 254 CG PRO A 14 3.369 2.340 -2.259 1.00 0.00 C ATOM 255 CD PRO A 14 2.871 3.619 -1.651 1.00 0.00 C ATOM 0 HA PRO A 14 0.380 2.927 -3.479 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.306 0.848 -3.366 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.558 2.346 -4.240 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.502 1.571 -1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.338 2.486 -2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.235 3.752 -0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.193 4.491 -2.221 1.00 0.00 H new ATOM 263 N LEU A 15 -0.340 0.476 -2.988 1.00 0.00 N ATOM 264 CA LEU A 15 -1.148 -0.652 -2.545 1.00 0.00 C ATOM 265 C LEU A 15 -0.311 -1.608 -1.708 1.00 0.00 C ATOM 266 O LEU A 15 0.895 -1.737 -1.919 1.00 0.00 O ATOM 267 CB LEU A 15 -1.744 -1.394 -3.741 1.00 0.00 C ATOM 268 CG LEU A 15 -2.976 -0.738 -4.365 1.00 0.00 C ATOM 269 CD1 LEU A 15 -3.473 -1.555 -5.547 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.075 -0.579 -3.326 1.00 0.00 C ATOM 0 H LEU A 15 -0.212 0.534 -3.998 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.963 -0.265 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.976 -1.491 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.009 -2.403 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.696 0.252 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.350 -1.073 -5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.688 -1.621 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.738 -2.557 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.945 -0.111 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.353 -1.559 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.715 0.046 -2.509 1.00 0.00 H new ATOM 282 N THR A 16 -0.953 -2.277 -0.758 1.00 0.00 N ATOM 283 CA THR A 16 -0.255 -3.220 0.108 1.00 0.00 C ATOM 284 C THR A 16 0.276 -4.395 -0.699 1.00 0.00 C ATOM 285 O THR A 16 -0.315 -4.781 -1.706 1.00 0.00 O ATOM 286 CB THR A 16 -1.173 -3.719 1.229 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.975 -4.796 0.782 1.00 0.00 O ATOM 288 CG2 THR A 16 -2.098 -2.651 1.775 1.00 0.00 C ATOM 0 H THR A 16 -1.951 -2.185 -0.568 1.00 0.00 H new ATOM 0 HA THR A 16 0.587 -2.698 0.562 1.00 0.00 H new ATOM 0 HB THR A 16 -0.501 -4.033 2.028 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.433 -5.202 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.718 -3.076 2.565 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.507 -1.830 2.180 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.736 -2.278 0.974 1.00 0.00 H new ATOM 296 N PRO A 17 1.397 -4.995 -0.262 1.00 0.00 N ATOM 297 CA PRO A 17 1.982 -6.137 -0.959 1.00 0.00 C ATOM 298 C PRO A 17 0.968 -7.265 -1.109 1.00 0.00 C ATOM 299 O PRO A 17 1.077 -8.101 -2.006 1.00 0.00 O ATOM 300 CB PRO A 17 3.157 -6.562 -0.070 1.00 0.00 C ATOM 301 CG PRO A 17 3.443 -5.386 0.805 1.00 0.00 C ATOM 302 CD PRO A 17 2.158 -4.618 0.939 1.00 0.00 C ATOM 0 HA PRO A 17 2.299 -5.889 -1.972 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.902 -7.440 0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.028 -6.825 -0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.803 -5.710 1.782 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.223 -4.761 0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.625 -4.886 1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.336 -3.543 0.979 1.00 0.00 H new ATOM 310 N TYR A 18 -0.036 -7.263 -0.232 1.00 0.00 N ATOM 311 CA TYR A 18 -1.093 -8.261 -0.274 1.00 0.00 C ATOM 312 C TYR A 18 -2.222 -7.778 -1.177 1.00 0.00 C ATOM 313 O TYR A 18 -2.859 -8.568 -1.872 1.00 0.00 O ATOM 314 CB TYR A 18 -1.626 -8.540 1.133 1.00 0.00 C ATOM 315 CG TYR A 18 -2.714 -9.591 1.174 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.647 -10.721 0.369 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.810 -9.452 2.019 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.639 -11.683 0.404 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.804 -10.409 2.059 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.716 -11.522 1.250 1.00 0.00 C ATOM 321 OH TYR A 18 -5.705 -12.476 1.288 1.00 0.00 O ATOM 0 H TYR A 18 -0.135 -6.577 0.516 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.684 -9.188 -0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.800 -8.860 1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.013 -7.613 1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.806 -10.850 -0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.885 -8.582 2.654 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.571 -12.556 -0.228 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.648 -10.286 2.722 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.390 -12.211 1.937 1.00 0.00 H new ATOM 331 N PHE A 19 -2.452 -6.464 -1.173 1.00 0.00 N ATOM 332 CA PHE A 19 -3.489 -5.867 -2.006 1.00 0.00 C ATOM 333 C PHE A 19 -3.175 -6.115 -3.475 1.00 0.00 C ATOM 334 O PHE A 19 -4.042 -6.517 -4.248 1.00 0.00 O ATOM 335 CB PHE A 19 -3.602 -4.364 -1.737 1.00 0.00 C ATOM 336 CG PHE A 19 -4.887 -3.967 -1.070 1.00 0.00 C ATOM 337 CD1 PHE A 19 -6.021 -3.704 -1.822 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.962 -3.855 0.310 1.00 0.00 C ATOM 339 CE1 PHE A 19 -7.206 -3.340 -1.211 1.00 0.00 C ATOM 340 CE2 PHE A 19 -6.144 -3.490 0.927 1.00 0.00 C ATOM 341 CZ PHE A 19 -7.267 -3.232 0.166 1.00 0.00 C ATOM 0 H PHE A 19 -1.933 -5.797 -0.602 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.444 -6.330 -1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.766 -4.052 -1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.511 -3.827 -2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.978 -3.784 -2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.087 -4.055 0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.083 -3.140 -1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.189 -3.407 2.003 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.191 -2.946 0.646 1.00 0.00 H new ATOM 351 N ARG A 20 -1.916 -5.890 -3.846 1.00 0.00 N ATOM 352 CA ARG A 20 -1.475 -6.110 -5.220 1.00 0.00 C ATOM 353 C ARG A 20 -1.587 -7.591 -5.594 1.00 0.00 C ATOM 354 O ARG A 20 -1.409 -7.962 -6.753 1.00 0.00 O ATOM 355 CB ARG A 20 -0.031 -5.638 -5.401 1.00 0.00 C ATOM 356 CG ARG A 20 0.253 -4.286 -4.765 1.00 0.00 C ATOM 357 CD ARG A 20 1.440 -3.599 -5.420 1.00 0.00 C ATOM 358 NE ARG A 20 1.030 -2.439 -6.212 1.00 0.00 N ATOM 359 CZ ARG A 20 1.593 -1.233 -6.124 1.00 0.00 C ATOM 360 NH1 ARG A 20 2.598 -1.012 -5.286 1.00 0.00 N ATOM 361 NH2 ARG A 20 1.148 -0.243 -6.886 1.00 0.00 N ATOM 0 H ARG A 20 -1.186 -5.557 -3.216 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.123 -5.532 -5.879 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.641 -6.380 -4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.193 -5.583 -6.466 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.629 -3.651 -4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.449 -4.418 -3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.146 -3.283 -4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.963 -4.309 -6.060 1.00 0.00 H new ATOM 0 HE ARG A 20 0.264 -2.560 -6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.949 -1.769 -4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.020 -0.085 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.379 -0.406 -7.536 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.575 0.681 -6.822 1.00 0.00 H new ATOM 375 N PHE A 21 -1.877 -8.429 -4.600 1.00 0.00 N ATOM 376 CA PHE A 21 -2.014 -9.864 -4.806 1.00 0.00 C ATOM 377 C PHE A 21 -3.486 -10.259 -4.892 1.00 0.00 C ATOM 378 O PHE A 21 -3.896 -11.009 -5.780 1.00 0.00 O ATOM 379 CB PHE A 21 -1.351 -10.610 -3.643 1.00 0.00 C ATOM 380 CG PHE A 21 -1.031 -12.052 -3.923 1.00 0.00 C ATOM 381 CD1 PHE A 21 -2.010 -12.931 -4.362 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.254 -12.529 -3.736 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.709 -14.257 -4.609 1.00 0.00 C ATOM 384 CE2 PHE A 21 0.561 -13.853 -3.980 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.421 -14.720 -4.419 1.00 0.00 C ATOM 0 H PHE A 21 -2.022 -8.131 -3.635 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.528 -10.131 -5.744 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.430 -10.093 -3.376 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.008 -10.560 -2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.019 -12.575 -4.512 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.027 -11.857 -3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.480 -14.931 -4.951 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.569 -14.211 -3.828 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.183 -15.755 -4.613 1.00 0.00 H new ATOM 395 N PHE A 22 -4.273 -9.749 -3.949 1.00 0.00 N ATOM 396 CA PHE A 22 -5.697 -10.041 -3.881 1.00 0.00 C ATOM 397 C PHE A 22 -6.482 -9.101 -4.782 1.00 0.00 C ATOM 398 O PHE A 22 -7.251 -9.528 -5.639 1.00 0.00 O ATOM 399 CB PHE A 22 -6.153 -9.900 -2.423 1.00 0.00 C ATOM 400 CG PHE A 22 -7.637 -10.002 -2.206 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.478 -8.955 -2.546 1.00 0.00 C ATOM 402 CD2 PHE A 22 -8.185 -11.141 -1.639 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.840 -9.045 -2.328 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.545 -11.236 -1.418 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.375 -10.187 -1.762 1.00 0.00 C ATOM 0 H PHE A 22 -3.941 -9.124 -3.214 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.881 -11.058 -4.228 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.661 -10.670 -1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.811 -8.937 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.065 -8.059 -2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.541 -11.964 -1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.486 -8.223 -2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.959 -12.130 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.439 -10.259 -1.589 1.00 0.00 H new ATOM 415 N MET A 23 -6.268 -7.816 -4.570 1.00 0.00 N ATOM 416 CA MET A 23 -6.938 -6.779 -5.332 1.00 0.00 C ATOM 417 C MET A 23 -6.609 -6.851 -6.828 1.00 0.00 C ATOM 418 O MET A 23 -7.258 -6.196 -7.642 1.00 0.00 O ATOM 419 CB MET A 23 -6.542 -5.423 -4.741 1.00 0.00 C ATOM 420 CG MET A 23 -5.519 -4.643 -5.558 1.00 0.00 C ATOM 421 SD MET A 23 -6.278 -3.603 -6.820 1.00 0.00 S ATOM 422 CE MET A 23 -6.946 -2.280 -5.815 1.00 0.00 C ATOM 0 H MET A 23 -5.624 -7.461 -3.863 1.00 0.00 H new ATOM 0 HA MET A 23 -8.016 -6.922 -5.258 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.439 -4.814 -4.632 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.141 -5.582 -3.740 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.926 -4.020 -4.889 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.832 -5.342 -6.035 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.092 -1.393 -6.431 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.902 -2.590 -5.394 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.251 -2.050 -5.007 1.00 0.00 H new ATOM 432 N GLU A 24 -5.592 -7.631 -7.184 1.00 0.00 N ATOM 433 CA GLU A 24 -5.183 -7.753 -8.578 1.00 0.00 C ATOM 434 C GLU A 24 -5.720 -9.029 -9.226 1.00 0.00 C ATOM 435 O GLU A 24 -6.269 -8.988 -10.327 1.00 0.00 O ATOM 436 CB GLU A 24 -3.654 -7.711 -8.661 1.00 0.00 C ATOM 437 CG GLU A 24 -3.048 -8.683 -9.663 1.00 0.00 C ATOM 438 CD GLU A 24 -1.599 -8.371 -9.978 1.00 0.00 C ATOM 439 OE1 GLU A 24 -0.744 -8.564 -9.088 1.00 0.00 O ATOM 440 OE2 GLU A 24 -1.318 -7.937 -11.115 1.00 0.00 O ATOM 0 H GLU A 24 -5.039 -8.185 -6.530 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.607 -6.915 -9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.345 -6.699 -8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.243 -7.924 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.120 -9.697 -9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.629 -8.658 -10.585 1.00 0.00 H new ATOM 447 N LYS A 25 -5.542 -10.161 -8.554 1.00 0.00 N ATOM 448 CA LYS A 25 -5.994 -11.439 -9.097 1.00 0.00 C ATOM 449 C LYS A 25 -7.414 -11.783 -8.647 1.00 0.00 C ATOM 450 O LYS A 25 -7.960 -12.813 -9.040 1.00 0.00 O ATOM 451 CB LYS A 25 -5.021 -12.559 -8.718 1.00 0.00 C ATOM 452 CG LYS A 25 -5.162 -13.048 -7.288 1.00 0.00 C ATOM 453 CD LYS A 25 -3.839 -13.564 -6.746 1.00 0.00 C ATOM 454 CE LYS A 25 -3.377 -14.809 -7.490 1.00 0.00 C ATOM 455 NZ LYS A 25 -2.162 -14.548 -8.309 1.00 0.00 N ATOM 0 H LYS A 25 -5.092 -10.222 -7.641 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.013 -11.342 -10.183 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.172 -13.400 -9.394 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.001 -12.206 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.523 -12.235 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.909 -13.841 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.081 -12.785 -6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.943 -13.791 -5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.168 -15.603 -6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.180 -15.165 -8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.880 -15.421 -8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.368 -13.808 -9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.388 -14.233 -7.691 1.00 0.00 H new ATOM 469 N ARG A 26 -8.020 -10.911 -7.844 1.00 0.00 N ATOM 470 CA ARG A 26 -9.381 -11.128 -7.375 1.00 0.00 C ATOM 471 C ARG A 26 -10.286 -11.422 -8.556 1.00 0.00 C ATOM 472 O ARG A 26 -11.216 -12.224 -8.466 1.00 0.00 O ATOM 473 CB ARG A 26 -9.885 -9.892 -6.629 1.00 0.00 C ATOM 474 CG ARG A 26 -9.952 -10.077 -5.126 1.00 0.00 C ATOM 475 CD ARG A 26 -10.604 -11.400 -4.757 1.00 0.00 C ATOM 476 NE ARG A 26 -11.659 -11.773 -5.695 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.819 -11.129 -5.803 1.00 0.00 C ATOM 478 NH1 ARG A 26 -13.076 -10.077 -5.035 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.722 -11.536 -6.682 1.00 0.00 N ATOM 0 H ARG A 26 -7.589 -10.050 -7.507 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.391 -11.978 -6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.231 -9.050 -6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.877 -9.633 -7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.946 -10.037 -4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.515 -9.256 -4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.846 -12.183 -4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.021 -11.330 -3.752 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.497 -12.575 -6.304 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.383 -9.758 -4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.967 -9.587 -5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.528 -12.342 -7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.611 -11.043 -6.765 1.00 0.00 H new ATOM 493 N ALA A 27 -9.980 -10.777 -9.670 1.00 0.00 N ATOM 494 CA ALA A 27 -10.735 -10.972 -10.898 1.00 0.00 C ATOM 495 C ALA A 27 -10.724 -12.443 -11.274 1.00 0.00 C ATOM 496 O ALA A 27 -11.700 -12.977 -11.801 1.00 0.00 O ATOM 497 CB ALA A 27 -10.128 -10.146 -12.016 1.00 0.00 C ATOM 0 H ALA A 27 -9.211 -10.111 -9.750 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.764 -10.650 -10.742 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.699 -10.298 -12.932 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.153 -9.091 -11.744 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.095 -10.455 -12.177 1.00 0.00 H new ATOM 503 N LYS A 28 -9.599 -13.085 -10.990 1.00 0.00 N ATOM 504 CA LYS A 28 -9.426 -14.503 -11.285 1.00 0.00 C ATOM 505 C LYS A 28 -10.382 -15.364 -10.459 1.00 0.00 C ATOM 506 O LYS A 28 -10.645 -16.516 -10.806 1.00 0.00 O ATOM 507 CB LYS A 28 -7.981 -14.926 -11.015 1.00 0.00 C ATOM 508 CG LYS A 28 -7.561 -16.175 -11.776 1.00 0.00 C ATOM 509 CD LYS A 28 -7.361 -17.362 -10.843 1.00 0.00 C ATOM 510 CE LYS A 28 -8.274 -18.521 -11.209 1.00 0.00 C ATOM 511 NZ LYS A 28 -8.289 -18.775 -12.676 1.00 0.00 N ATOM 0 H LYS A 28 -8.789 -12.645 -10.554 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.656 -14.655 -12.339 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.315 -14.106 -11.283 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.856 -15.102 -9.947 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.319 -16.420 -12.520 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.636 -15.978 -12.317 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.322 -17.689 -10.886 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.556 -17.055 -9.815 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.945 -19.420 -10.688 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.287 -18.307 -10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.362 -19.798 -12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.105 -18.292 -13.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.411 -18.413 -13.100 1.00 0.00 H new ATOM 525 N TYR A 29 -10.897 -14.803 -9.367 1.00 0.00 N ATOM 526 CA TYR A 29 -11.821 -15.529 -8.502 1.00 0.00 C ATOM 527 C TYR A 29 -13.261 -15.123 -8.782 1.00 0.00 C ATOM 528 O TYR A 29 -14.178 -15.932 -8.655 1.00 0.00 O ATOM 529 CB TYR A 29 -11.492 -15.280 -7.033 1.00 0.00 C ATOM 530 CG TYR A 29 -10.172 -15.868 -6.602 1.00 0.00 C ATOM 531 CD1 TYR A 29 -10.082 -17.185 -6.173 1.00 0.00 C ATOM 532 CD2 TYR A 29 -9.017 -15.103 -6.624 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.872 -17.723 -5.778 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.806 -15.632 -6.232 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.736 -16.942 -5.809 1.00 0.00 C ATOM 536 OH TYR A 29 -6.530 -17.473 -5.418 1.00 0.00 O ATOM 0 H TYR A 29 -10.691 -13.852 -9.062 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.710 -16.592 -8.715 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.479 -14.206 -6.849 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.286 -15.699 -6.415 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.971 -17.798 -6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.066 -14.076 -6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.816 -18.749 -5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.915 -15.022 -6.256 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.803 -16.890 -5.719 1.00 0.00 H new ATOM 546 N ALA A 30 -13.452 -13.870 -9.183 1.00 0.00 N ATOM 547 CA ALA A 30 -14.782 -13.376 -9.500 1.00 0.00 C ATOM 548 C ALA A 30 -15.306 -14.072 -10.745 1.00 0.00 C ATOM 549 O ALA A 30 -16.503 -14.056 -11.035 1.00 0.00 O ATOM 550 CB ALA A 30 -14.751 -11.868 -9.699 1.00 0.00 C ATOM 0 H ALA A 30 -12.706 -13.184 -9.295 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.452 -13.596 -8.669 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.753 -11.512 -9.936 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.401 -11.388 -8.785 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.076 -11.623 -10.519 1.00 0.00 H new ATOM 556 N LYS A 31 -14.383 -14.689 -11.474 1.00 0.00 N ATOM 557 CA LYS A 31 -14.707 -15.406 -12.693 1.00 0.00 C ATOM 558 C LYS A 31 -14.636 -16.915 -12.463 1.00 0.00 C ATOM 559 O LYS A 31 -15.288 -17.693 -13.159 1.00 0.00 O ATOM 560 CB LYS A 31 -13.728 -14.993 -13.787 1.00 0.00 C ATOM 561 CG LYS A 31 -14.401 -14.416 -15.019 1.00 0.00 C ATOM 562 CD LYS A 31 -14.104 -12.932 -15.180 1.00 0.00 C ATOM 563 CE LYS A 31 -13.730 -12.589 -16.614 1.00 0.00 C ATOM 564 NZ LYS A 31 -12.265 -12.376 -16.771 1.00 0.00 N ATOM 0 H LYS A 31 -13.392 -14.704 -11.234 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.724 -15.158 -12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.035 -14.255 -13.383 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.136 -15.860 -14.079 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.061 -14.953 -15.904 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.478 -14.566 -14.949 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.977 -12.351 -14.882 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.290 -12.649 -14.513 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.053 -13.393 -17.275 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.263 -11.689 -16.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.052 -12.145 -17.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.961 -11.592 -16.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.757 -13.243 -16.501 1.00 0.00 H new ATOM 578 N LEU A 32 -13.830 -17.315 -11.482 1.00 0.00 N ATOM 579 CA LEU A 32 -13.655 -18.727 -11.153 1.00 0.00 C ATOM 580 C LEU A 32 -14.590 -19.172 -10.030 1.00 0.00 C ATOM 581 O LEU A 32 -14.588 -20.342 -9.643 1.00 0.00 O ATOM 582 CB LEU A 32 -12.206 -18.990 -10.745 1.00 0.00 C ATOM 583 CG LEU A 32 -11.868 -20.459 -10.475 1.00 0.00 C ATOM 584 CD1 LEU A 32 -10.631 -20.876 -11.256 1.00 0.00 C ATOM 585 CD2 LEU A 32 -11.660 -20.694 -8.985 1.00 0.00 C ATOM 0 H LEU A 32 -13.286 -16.678 -10.899 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.903 -19.304 -12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.549 -18.620 -11.533 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.986 -18.411 -9.848 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.707 -21.070 -10.807 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.407 -21.923 -11.051 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.813 -20.746 -12.323 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.785 -20.258 -10.955 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.421 -21.743 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.839 -20.071 -8.630 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.571 -20.436 -8.445 1.00 0.00 H new ATOM 597 N HIS A 33 -15.391 -18.247 -9.504 1.00 0.00 N ATOM 598 CA HIS A 33 -16.324 -18.572 -8.426 1.00 0.00 C ATOM 599 C HIS A 33 -17.759 -18.196 -8.801 1.00 0.00 C ATOM 600 O HIS A 33 -18.327 -17.257 -8.245 1.00 0.00 O ATOM 601 CB HIS A 33 -15.915 -17.858 -7.132 1.00 0.00 C ATOM 602 CG HIS A 33 -14.726 -18.472 -6.462 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.715 -18.839 -5.133 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.501 -18.786 -6.946 1.00 0.00 C ATOM 605 CE1 HIS A 33 -13.535 -19.350 -4.828 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.780 -19.330 -5.911 1.00 0.00 N ATOM 0 H HIS A 33 -15.413 -17.272 -9.804 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.286 -19.650 -8.266 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.697 -16.814 -7.356 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.757 -17.867 -6.440 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -13.155 -18.636 -7.958 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.239 -19.721 -3.858 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.818 -19.664 -5.970 1.00 0.00 H new ATOM 615 N PRO A 34 -18.367 -18.929 -9.753 1.00 0.00 N ATOM 616 CA PRO A 34 -19.734 -18.673 -10.199 1.00 0.00 C ATOM 617 C PRO A 34 -20.768 -19.217 -9.217 1.00 0.00 C ATOM 618 O PRO A 34 -21.802 -18.594 -8.978 1.00 0.00 O ATOM 619 CB PRO A 34 -19.835 -19.417 -11.543 1.00 0.00 C ATOM 620 CG PRO A 34 -18.482 -20.004 -11.799 1.00 0.00 C ATOM 621 CD PRO A 34 -17.780 -20.062 -10.473 1.00 0.00 C ATOM 0 HA PRO A 34 -19.937 -17.605 -10.279 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -20.596 -20.197 -11.500 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.122 -18.736 -12.344 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.568 -20.999 -12.235 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -17.922 -19.393 -12.507 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.960 -21.006 -9.959 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -16.700 -19.959 -10.581 1.00 0.00 H new ATOM 629 N GLU A 35 -20.478 -20.385 -8.651 1.00 0.00 N ATOM 630 CA GLU A 35 -21.379 -21.017 -7.694 1.00 0.00 C ATOM 631 C GLU A 35 -20.842 -20.885 -6.272 1.00 0.00 C ATOM 632 O GLU A 35 -21.240 -21.629 -5.376 1.00 0.00 O ATOM 633 CB GLU A 35 -21.580 -22.492 -8.044 1.00 0.00 C ATOM 634 CG GLU A 35 -22.044 -22.721 -9.473 1.00 0.00 C ATOM 635 CD GLU A 35 -20.994 -23.409 -10.325 1.00 0.00 C ATOM 636 OE1 GLU A 35 -20.035 -22.731 -10.749 1.00 0.00 O ATOM 637 OE2 GLU A 35 -21.131 -24.626 -10.567 1.00 0.00 O ATOM 0 H GLU A 35 -19.626 -20.913 -8.839 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.341 -20.507 -7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -20.643 -23.025 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -22.311 -22.923 -7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -22.952 -23.325 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -22.303 -21.763 -9.925 1.00 0.00 H new ATOM 644 N MET A 36 -19.943 -19.929 -6.076 1.00 0.00 N ATOM 645 CA MET A 36 -19.353 -19.687 -4.767 1.00 0.00 C ATOM 646 C MET A 36 -19.504 -18.220 -4.380 1.00 0.00 C ATOM 647 O MET A 36 -20.312 -17.496 -4.963 1.00 0.00 O ATOM 648 CB MET A 36 -17.874 -20.083 -4.763 1.00 0.00 C ATOM 649 CG MET A 36 -17.594 -21.402 -5.463 1.00 0.00 C ATOM 650 SD MET A 36 -16.142 -22.243 -4.804 1.00 0.00 S ATOM 651 CE MET A 36 -14.921 -21.838 -6.050 1.00 0.00 C ATOM 0 H MET A 36 -19.606 -19.307 -6.810 1.00 0.00 H new ATOM 0 HA MET A 36 -19.879 -20.299 -4.035 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.295 -19.296 -5.245 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.527 -20.148 -3.732 1.00 0.00 H new ATOM 0 HG2 MET A 36 -18.463 -22.053 -5.364 1.00 0.00 H new ATOM 0 HG3 MET A 36 -17.452 -21.221 -6.528 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.959 -21.654 -5.571 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.825 -22.669 -6.749 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.234 -20.944 -6.589 1.00 0.00 H new ATOM 661 N SER A 37 -18.725 -17.783 -3.399 1.00 0.00 N ATOM 662 CA SER A 37 -18.781 -16.400 -2.945 1.00 0.00 C ATOM 663 C SER A 37 -17.380 -15.830 -2.757 1.00 0.00 C ATOM 664 O SER A 37 -16.407 -16.574 -2.636 1.00 0.00 O ATOM 665 CB SER A 37 -19.564 -16.303 -1.635 1.00 0.00 C ATOM 666 OG SER A 37 -20.826 -16.938 -1.745 1.00 0.00 O ATOM 0 H SER A 37 -18.049 -18.364 -2.904 1.00 0.00 H new ATOM 0 HA SER A 37 -19.291 -15.814 -3.710 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.991 -16.764 -0.831 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.703 -15.255 -1.368 1.00 0.00 H new ATOM 0 HG SER A 37 -21.305 -16.863 -0.894 1.00 0.00 H new ATOM 672 N ASN A 38 -17.290 -14.506 -2.722 1.00 0.00 N ATOM 673 CA ASN A 38 -16.014 -13.820 -2.537 1.00 0.00 C ATOM 674 C ASN A 38 -15.299 -14.314 -1.283 1.00 0.00 C ATOM 675 O ASN A 38 -14.091 -14.143 -1.138 1.00 0.00 O ATOM 676 CB ASN A 38 -16.246 -12.313 -2.435 1.00 0.00 C ATOM 677 CG ASN A 38 -15.153 -11.510 -3.110 1.00 0.00 C ATOM 678 OD1 ASN A 38 -15.311 -11.057 -4.244 1.00 0.00 O ATOM 679 ND2 ASN A 38 -14.037 -11.325 -2.413 1.00 0.00 N ATOM 0 H ASN A 38 -18.090 -13.881 -2.820 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.384 -14.038 -3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.206 -12.065 -2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -16.305 -12.028 -1.385 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.268 -10.789 -2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -13.950 -11.719 -1.476 1.00 0.00 H new ATOM 686 N LEU A 39 -16.055 -14.928 -0.380 1.00 0.00 N ATOM 687 CA LEU A 39 -15.491 -15.444 0.860 1.00 0.00 C ATOM 688 C LEU A 39 -14.651 -16.686 0.594 1.00 0.00 C ATOM 689 O LEU A 39 -13.564 -16.843 1.146 1.00 0.00 O ATOM 690 CB LEU A 39 -16.603 -15.768 1.859 1.00 0.00 C ATOM 691 CG LEU A 39 -16.124 -16.294 3.213 1.00 0.00 C ATOM 692 CD1 LEU A 39 -17.018 -15.782 4.332 1.00 0.00 C ATOM 693 CD2 LEU A 39 -16.090 -17.815 3.210 1.00 0.00 C ATOM 0 H LEU A 39 -17.058 -15.080 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.848 -14.674 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.195 -14.868 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -17.267 -16.509 1.413 1.00 0.00 H new ATOM 0 HG LEU A 39 -15.113 -15.927 3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.661 -16.167 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.993 -14.692 4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -18.041 -16.119 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.747 -18.173 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -17.090 -18.201 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.408 -18.162 2.434 1.00 0.00 H new ATOM 705 N ASP A 40 -15.162 -17.567 -0.261 1.00 0.00 N ATOM 706 CA ASP A 40 -14.457 -18.795 -0.606 1.00 0.00 C ATOM 707 C ASP A 40 -13.099 -18.484 -1.226 1.00 0.00 C ATOM 708 O ASP A 40 -12.098 -19.126 -0.905 1.00 0.00 O ATOM 709 CB ASP A 40 -15.292 -19.634 -1.574 1.00 0.00 C ATOM 710 CG ASP A 40 -16.198 -20.615 -0.857 1.00 0.00 C ATOM 711 OD1 ASP A 40 -15.881 -20.982 0.295 1.00 0.00 O ATOM 712 OD2 ASP A 40 -17.223 -21.019 -1.447 1.00 0.00 O ATOM 0 H ASP A 40 -16.062 -17.452 -0.727 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.298 -19.363 0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.896 -18.973 -2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.627 -20.180 -2.243 1.00 0.00 H new ATOM 717 N LEU A 41 -13.072 -17.497 -2.115 1.00 0.00 N ATOM 718 CA LEU A 41 -11.835 -17.103 -2.780 1.00 0.00 C ATOM 719 C LEU A 41 -10.922 -16.327 -1.832 1.00 0.00 C ATOM 720 O LEU A 41 -9.699 -16.375 -1.960 1.00 0.00 O ATOM 721 CB LEU A 41 -12.130 -16.268 -4.031 1.00 0.00 C ATOM 722 CG LEU A 41 -13.342 -15.333 -3.942 1.00 0.00 C ATOM 723 CD1 LEU A 41 -12.956 -13.915 -4.333 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.470 -15.842 -4.831 1.00 0.00 C ATOM 0 H LEU A 41 -13.891 -16.956 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.319 -18.014 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.249 -15.668 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.280 -16.947 -4.870 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.691 -15.320 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.830 -13.268 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.180 -13.551 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.581 -13.909 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.324 -15.168 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.128 -15.883 -5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.766 -16.840 -4.507 1.00 0.00 H new ATOM 736 N THR A 42 -11.522 -15.617 -0.880 1.00 0.00 N ATOM 737 CA THR A 42 -10.756 -14.838 0.087 1.00 0.00 C ATOM 738 C THR A 42 -9.818 -15.736 0.890 1.00 0.00 C ATOM 739 O THR A 42 -8.640 -15.422 1.061 1.00 0.00 O ATOM 740 CB THR A 42 -11.700 -14.083 1.028 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.425 -13.093 0.320 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.991 -13.393 2.176 1.00 0.00 C ATOM 0 H THR A 42 -12.533 -15.565 -0.758 1.00 0.00 H new ATOM 0 HA THR A 42 -10.151 -14.116 -0.461 1.00 0.00 H new ATOM 0 HB THR A 42 -12.361 -14.846 1.439 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.276 -13.468 0.012 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.723 -12.879 2.800 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.461 -14.134 2.774 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.279 -12.669 1.781 1.00 0.00 H new ATOM 750 N LYS A 43 -10.344 -16.855 1.377 1.00 0.00 N ATOM 751 CA LYS A 43 -9.543 -17.796 2.160 1.00 0.00 C ATOM 752 C LYS A 43 -8.383 -18.325 1.328 1.00 0.00 C ATOM 753 O LYS A 43 -7.272 -18.503 1.828 1.00 0.00 O ATOM 754 CB LYS A 43 -10.397 -18.969 2.657 1.00 0.00 C ATOM 755 CG LYS A 43 -11.845 -18.612 2.953 1.00 0.00 C ATOM 756 CD LYS A 43 -11.954 -17.343 3.784 1.00 0.00 C ATOM 757 CE LYS A 43 -13.052 -17.452 4.831 1.00 0.00 C ATOM 758 NZ LYS A 43 -12.502 -17.712 6.189 1.00 0.00 N ATOM 0 H LYS A 43 -11.316 -17.134 1.246 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.152 -17.260 3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.377 -19.760 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.944 -19.375 3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.386 -18.481 2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.322 -19.436 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.001 -17.146 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.157 -16.495 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.632 -16.530 4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.736 -18.255 4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.283 -17.779 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.969 -18.605 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.869 -16.933 6.462 1.00 0.00 H new ATOM 772 N ILE A 44 -8.655 -18.574 0.052 1.00 0.00 N ATOM 773 CA ILE A 44 -7.644 -19.083 -0.864 1.00 0.00 C ATOM 774 C ILE A 44 -6.473 -18.111 -0.994 1.00 0.00 C ATOM 775 O ILE A 44 -5.312 -18.517 -0.976 1.00 0.00 O ATOM 776 CB ILE A 44 -8.236 -19.338 -2.265 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.450 -20.264 -2.175 1.00 0.00 C ATOM 778 CG2 ILE A 44 -7.187 -19.930 -3.194 1.00 0.00 C ATOM 779 CD1 ILE A 44 -10.320 -20.231 -3.412 1.00 0.00 C ATOM 0 H ILE A 44 -9.572 -18.431 -0.372 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.287 -20.024 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.559 -18.382 -2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.108 -21.285 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.050 -19.982 -1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.626 -20.102 -4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.351 -19.237 -3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.831 -20.876 -2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.163 -20.910 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.691 -19.218 -3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.734 -20.541 -4.277 1.00 0.00 H new ATOM 791 N LEU A 45 -6.789 -16.830 -1.139 1.00 0.00 N ATOM 792 CA LEU A 45 -5.766 -15.803 -1.289 1.00 0.00 C ATOM 793 C LEU A 45 -5.015 -15.561 0.017 1.00 0.00 C ATOM 794 O LEU A 45 -3.842 -15.188 0.006 1.00 0.00 O ATOM 795 CB LEU A 45 -6.398 -14.506 -1.789 1.00 0.00 C ATOM 796 CG LEU A 45 -6.888 -14.558 -3.237 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.783 -13.368 -3.546 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.706 -14.608 -4.191 1.00 0.00 C ATOM 0 H LEU A 45 -7.746 -16.478 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.041 -16.155 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.239 -14.253 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.669 -13.701 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.478 -15.465 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.120 -13.425 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.647 -13.380 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.224 -12.444 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.069 -14.645 -5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.091 -13.719 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.109 -15.497 -3.985 1.00 0.00 H new ATOM 810 N SER A 46 -5.691 -15.781 1.139 1.00 0.00 N ATOM 811 CA SER A 46 -5.069 -15.591 2.445 1.00 0.00 C ATOM 812 C SER A 46 -4.234 -16.807 2.828 1.00 0.00 C ATOM 813 O SER A 46 -3.456 -16.765 3.783 1.00 0.00 O ATOM 814 CB SER A 46 -6.134 -15.326 3.511 1.00 0.00 C ATOM 815 OG SER A 46 -7.355 -15.965 3.183 1.00 0.00 O ATOM 0 H SER A 46 -6.663 -16.089 1.172 1.00 0.00 H new ATOM 0 HA SER A 46 -4.410 -14.725 2.384 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.781 -15.684 4.478 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.296 -14.253 3.608 1.00 0.00 H new ATOM 0 HG SER A 46 -7.873 -15.391 2.581 1.00 0.00 H new ATOM 821 N LYS A 47 -4.401 -17.891 2.079 1.00 0.00 N ATOM 822 CA LYS A 47 -3.673 -19.119 2.327 1.00 0.00 C ATOM 823 C LYS A 47 -2.405 -19.178 1.480 1.00 0.00 C ATOM 824 O LYS A 47 -1.355 -19.621 1.944 1.00 0.00 O ATOM 825 CB LYS A 47 -4.573 -20.306 2.010 1.00 0.00 C ATOM 826 CG LYS A 47 -4.115 -21.602 2.646 1.00 0.00 C ATOM 827 CD LYS A 47 -4.046 -21.488 4.162 1.00 0.00 C ATOM 828 CE LYS A 47 -4.691 -22.684 4.842 1.00 0.00 C ATOM 829 NZ LYS A 47 -6.176 -22.576 4.864 1.00 0.00 N ATOM 0 H LYS A 47 -5.043 -17.939 1.288 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.378 -19.152 3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.585 -20.084 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.619 -20.438 0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.800 -22.405 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.134 -21.873 2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.005 -21.409 4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.545 -20.574 4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.401 -23.597 4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.318 -22.766 5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.578 -23.411 5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.454 -21.718 5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.535 -22.523 3.889 1.00 0.00 H new ATOM 843 N LYS A 48 -2.513 -18.727 0.233 1.00 0.00 N ATOM 844 CA LYS A 48 -1.378 -18.724 -0.682 1.00 0.00 C ATOM 845 C LYS A 48 -0.335 -17.701 -0.247 1.00 0.00 C ATOM 846 O LYS A 48 0.859 -17.997 -0.202 1.00 0.00 O ATOM 847 CB LYS A 48 -1.845 -18.421 -2.107 1.00 0.00 C ATOM 848 CG LYS A 48 -1.996 -19.661 -2.976 1.00 0.00 C ATOM 849 CD LYS A 48 -3.456 -19.958 -3.277 1.00 0.00 C ATOM 850 CE LYS A 48 -3.843 -19.498 -4.674 1.00 0.00 C ATOM 851 NZ LYS A 48 -3.341 -20.427 -5.724 1.00 0.00 N ATOM 0 H LYS A 48 -3.376 -18.359 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.922 -19.714 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.801 -17.899 -2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.133 -17.743 -2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.453 -19.520 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.546 -20.516 -2.472 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.637 -21.029 -3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.088 -19.461 -2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.928 -19.424 -4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.443 -18.500 -4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.626 -20.078 -6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.303 -20.479 -5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.743 -21.374 -5.571 1.00 0.00 H new ATOM 865 N TYR A 49 -0.795 -16.493 0.071 1.00 0.00 N ATOM 866 CA TYR A 49 0.088 -15.418 0.503 1.00 0.00 C ATOM 867 C TYR A 49 1.111 -15.903 1.527 1.00 0.00 C ATOM 868 O TYR A 49 2.238 -15.410 1.574 1.00 0.00 O ATOM 869 CB TYR A 49 -0.730 -14.282 1.099 1.00 0.00 C ATOM 870 CG TYR A 49 0.090 -13.049 1.347 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.255 -12.103 0.351 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.712 -12.841 2.565 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.019 -10.972 0.564 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.480 -11.718 2.791 1.00 0.00 C ATOM 875 CZ TYR A 49 1.630 -10.783 1.787 1.00 0.00 C ATOM 876 OH TYR A 49 2.395 -9.660 2.004 1.00 0.00 O ATOM 0 H TYR A 49 -1.781 -16.235 0.036 1.00 0.00 H new ATOM 0 HA TYR A 49 0.630 -15.064 -0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.551 -14.038 0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.175 -14.613 2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.221 -12.251 -0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.594 -13.571 3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.137 -10.240 -0.222 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.961 -11.571 3.747 1.00 0.00 H new ATOM 0 HH TYR A 49 2.753 -9.679 2.916 1.00 0.00 H new ATOM 886 N LYS A 50 0.714 -16.869 2.346 1.00 0.00 N ATOM 887 CA LYS A 50 1.594 -17.413 3.365 1.00 0.00 C ATOM 888 C LYS A 50 2.296 -18.666 2.842 1.00 0.00 C ATOM 889 O LYS A 50 3.441 -18.944 3.197 1.00 0.00 O ATOM 890 CB LYS A 50 0.778 -17.711 4.636 1.00 0.00 C ATOM 891 CG LYS A 50 1.182 -18.975 5.386 1.00 0.00 C ATOM 892 CD LYS A 50 1.623 -18.672 6.810 1.00 0.00 C ATOM 893 CE LYS A 50 3.134 -18.768 6.963 1.00 0.00 C ATOM 894 NZ LYS A 50 3.527 -19.828 7.932 1.00 0.00 N ATOM 0 H LYS A 50 -0.214 -17.291 2.322 1.00 0.00 H new ATOM 0 HA LYS A 50 2.366 -16.685 3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.868 -16.862 5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.274 -17.791 4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.342 -19.670 5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.993 -19.471 4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.292 -17.672 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.143 -19.370 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.585 -18.978 5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.527 -17.807 7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.564 -19.862 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.118 -19.615 8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.174 -20.749 7.601 1.00 0.00 H new ATOM 908 N GLU A 51 1.598 -19.417 1.997 1.00 0.00 N ATOM 909 CA GLU A 51 2.146 -20.641 1.423 1.00 0.00 C ATOM 910 C GLU A 51 3.405 -20.352 0.609 1.00 0.00 C ATOM 911 O GLU A 51 4.373 -21.110 0.660 1.00 0.00 O ATOM 912 CB GLU A 51 1.100 -21.325 0.539 1.00 0.00 C ATOM 913 CG GLU A 51 1.116 -22.842 0.642 1.00 0.00 C ATOM 914 CD GLU A 51 1.596 -23.510 -0.632 1.00 0.00 C ATOM 915 OE1 GLU A 51 0.800 -23.601 -1.592 1.00 0.00 O ATOM 916 OE2 GLU A 51 2.768 -23.940 -0.672 1.00 0.00 O ATOM 0 H GLU A 51 0.649 -19.199 1.694 1.00 0.00 H new ATOM 0 HA GLU A 51 2.414 -21.306 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.110 -20.961 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.269 -21.038 -0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.761 -23.139 1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.113 -23.197 0.878 1.00 0.00 H new ATOM 923 N LEU A 52 3.383 -19.255 -0.144 1.00 0.00 N ATOM 924 CA LEU A 52 4.519 -18.866 -0.973 1.00 0.00 C ATOM 925 C LEU A 52 5.837 -18.960 -0.208 1.00 0.00 C ATOM 926 O LEU A 52 5.893 -18.699 0.993 1.00 0.00 O ATOM 927 CB LEU A 52 4.317 -17.446 -1.496 1.00 0.00 C ATOM 928 CG LEU A 52 3.892 -16.423 -0.449 1.00 0.00 C ATOM 929 CD1 LEU A 52 5.109 -15.835 0.243 1.00 0.00 C ATOM 930 CD2 LEU A 52 3.059 -15.327 -1.092 1.00 0.00 C ATOM 0 H LEU A 52 2.588 -18.618 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 52 4.574 -19.560 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.247 -17.109 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.564 -17.470 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 52 3.282 -16.925 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.788 -15.106 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.669 -16.631 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.745 -15.344 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.762 -14.603 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.648 -14.826 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.169 -15.764 -1.544 1.00 0.00 H new ATOM 942 N PRO A 53 6.919 -19.337 -0.910 1.00 0.00 N ATOM 943 CA PRO A 53 8.255 -19.472 -0.314 1.00 0.00 C ATOM 944 C PRO A 53 8.875 -18.137 0.071 1.00 0.00 C ATOM 945 O PRO A 53 10.096 -17.990 0.071 1.00 0.00 O ATOM 946 CB PRO A 53 9.095 -20.085 -1.425 1.00 0.00 C ATOM 947 CG PRO A 53 8.357 -19.842 -2.696 1.00 0.00 C ATOM 948 CD PRO A 53 6.909 -19.665 -2.345 1.00 0.00 C ATOM 0 HA PRO A 53 8.203 -20.060 0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.085 -19.631 -1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.239 -21.152 -1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.741 -18.955 -3.200 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.487 -20.679 -3.382 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.452 -18.868 -2.932 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.338 -20.573 -2.541 1.00 0.00 H new ATOM 956 N GLU A 54 8.038 -17.161 0.361 1.00 0.00 N ATOM 957 CA GLU A 54 8.507 -15.824 0.706 1.00 0.00 C ATOM 958 C GLU A 54 9.316 -15.236 -0.446 1.00 0.00 C ATOM 959 O GLU A 54 9.928 -14.177 -0.303 1.00 0.00 O ATOM 960 CB GLU A 54 9.349 -15.820 1.996 1.00 0.00 C ATOM 961 CG GLU A 54 9.497 -17.177 2.668 1.00 0.00 C ATOM 962 CD GLU A 54 9.728 -17.068 4.162 1.00 0.00 C ATOM 963 OE1 GLU A 54 10.500 -16.181 4.580 1.00 0.00 O ATOM 964 OE2 GLU A 54 9.135 -17.871 4.913 1.00 0.00 O ATOM 0 H GLU A 54 7.023 -17.265 0.366 1.00 0.00 H new ATOM 0 HA GLU A 54 7.626 -15.207 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.342 -15.436 1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.897 -15.127 2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.600 -17.768 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.330 -17.714 2.214 1.00 0.00 H new ATOM 971 N LYS A 55 9.313 -15.919 -1.594 1.00 0.00 N ATOM 972 CA LYS A 55 10.045 -15.439 -2.754 1.00 0.00 C ATOM 973 C LYS A 55 9.202 -14.434 -3.537 1.00 0.00 C ATOM 974 O LYS A 55 9.731 -13.629 -4.303 1.00 0.00 O ATOM 975 CB LYS A 55 10.458 -16.611 -3.656 1.00 0.00 C ATOM 976 CG LYS A 55 9.368 -17.076 -4.612 1.00 0.00 C ATOM 977 CD LYS A 55 9.449 -16.351 -5.945 1.00 0.00 C ATOM 978 CE LYS A 55 8.667 -17.083 -7.026 1.00 0.00 C ATOM 979 NZ LYS A 55 9.412 -18.260 -7.550 1.00 0.00 N ATOM 0 H LYS A 55 8.815 -16.797 -1.738 1.00 0.00 H new ATOM 0 HA LYS A 55 10.949 -14.938 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.333 -16.318 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.758 -17.450 -3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.459 -18.150 -4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.390 -16.904 -4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.059 -15.339 -5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.492 -16.259 -6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.709 -17.410 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.450 -16.397 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.860 -18.711 -8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.330 -17.950 -7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.567 -18.943 -6.781 1.00 0.00 H new ATOM 993 N LYS A 56 7.888 -14.486 -3.329 1.00 0.00 N ATOM 994 CA LYS A 56 6.973 -13.576 -4.008 1.00 0.00 C ATOM 995 C LYS A 56 6.869 -12.266 -3.241 1.00 0.00 C ATOM 996 O LYS A 56 6.843 -11.186 -3.832 1.00 0.00 O ATOM 997 CB LYS A 56 5.588 -14.215 -4.146 1.00 0.00 C ATOM 998 CG LYS A 56 5.626 -15.647 -4.653 1.00 0.00 C ATOM 999 CD LYS A 56 4.269 -16.092 -5.174 1.00 0.00 C ATOM 1000 CE LYS A 56 4.404 -16.953 -6.418 1.00 0.00 C ATOM 1001 NZ LYS A 56 3.197 -16.868 -7.287 1.00 0.00 N ATOM 0 H LYS A 56 7.436 -15.147 -2.697 1.00 0.00 H new ATOM 0 HA LYS A 56 7.364 -13.372 -5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.090 -14.195 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.986 -13.613 -4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.367 -15.733 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.943 -16.310 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.746 -16.651 -4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.660 -15.217 -5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.281 -16.639 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.568 -17.990 -6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.329 -17.470 -8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.363 -17.192 -6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.054 -15.883 -7.588 1.00 0.00 H new ATOM 1015 N LYS A 57 6.823 -12.373 -1.918 1.00 0.00 N ATOM 1016 CA LYS A 57 6.739 -11.203 -1.052 1.00 0.00 C ATOM 1017 C LYS A 57 7.854 -10.226 -1.375 1.00 0.00 C ATOM 1018 O LYS A 57 7.634 -9.019 -1.484 1.00 0.00 O ATOM 1019 CB LYS A 57 6.823 -11.625 0.408 1.00 0.00 C ATOM 1020 CG LYS A 57 5.609 -12.402 0.857 1.00 0.00 C ATOM 1021 CD LYS A 57 5.913 -13.265 2.070 1.00 0.00 C ATOM 1022 CE LYS A 57 4.642 -13.818 2.695 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.614 -13.614 4.171 1.00 0.00 N ATOM 0 H LYS A 57 6.843 -13.263 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 57 5.782 -10.711 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.715 -12.234 0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.935 -10.739 1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.801 -11.710 1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.258 -13.033 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.564 -14.089 1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.457 -12.677 2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.776 -13.333 2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.562 -14.882 2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.732 -14.005 4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.427 -14.098 4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.664 -12.597 4.382 1.00 0.00 H new ATOM 1037 N MET A 58 9.050 -10.768 -1.552 1.00 0.00 N ATOM 1038 CA MET A 58 10.216 -9.963 -1.890 1.00 0.00 C ATOM 1039 C MET A 58 9.910 -9.030 -3.059 1.00 0.00 C ATOM 1040 O MET A 58 10.568 -8.007 -3.239 1.00 0.00 O ATOM 1041 CB MET A 58 11.385 -10.875 -2.249 1.00 0.00 C ATOM 1042 CG MET A 58 11.768 -11.842 -1.140 1.00 0.00 C ATOM 1043 SD MET A 58 13.553 -12.044 -0.978 1.00 0.00 S ATOM 1044 CE MET A 58 13.783 -11.653 0.754 1.00 0.00 C ATOM 0 H MET A 58 9.239 -11.767 -1.467 1.00 0.00 H new ATOM 0 HA MET A 58 10.480 -9.356 -1.024 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.129 -11.444 -3.143 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.250 -10.261 -2.499 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.360 -11.484 -0.195 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.313 -12.813 -1.337 1.00 0.00 H new ATOM 0 HE1 MET A 58 14.840 -11.734 1.008 1.00 0.00 H new ATOM 0 HE2 MET A 58 13.441 -10.636 0.946 1.00 0.00 H new ATOM 0 HE3 MET A 58 13.209 -12.350 1.364 1.00 0.00 H new ATOM 1054 N LYS A 59 8.902 -9.394 -3.846 1.00 0.00 N ATOM 1055 CA LYS A 59 8.499 -8.596 -4.997 1.00 0.00 C ATOM 1056 C LYS A 59 7.429 -7.582 -4.598 1.00 0.00 C ATOM 1057 O LYS A 59 7.545 -6.393 -4.894 1.00 0.00 O ATOM 1058 CB LYS A 59 7.992 -9.517 -6.117 1.00 0.00 C ATOM 1059 CG LYS A 59 6.508 -9.381 -6.431 1.00 0.00 C ATOM 1060 CD LYS A 59 6.104 -10.260 -7.605 1.00 0.00 C ATOM 1061 CE LYS A 59 4.751 -9.851 -8.166 1.00 0.00 C ATOM 1062 NZ LYS A 59 3.942 -11.029 -8.584 1.00 0.00 N ATOM 0 H LYS A 59 8.348 -10.239 -3.706 1.00 0.00 H new ATOM 0 HA LYS A 59 9.363 -8.043 -5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.561 -9.311 -7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.197 -10.551 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.923 -9.653 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.277 -8.340 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.859 -10.193 -8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.067 -11.302 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.203 -9.283 -7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.897 -9.190 -9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.959 -10.733 -8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.337 -11.428 -9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.964 -11.749 -7.834 1.00 0.00 H new ATOM 1076 N TYR A 60 6.388 -8.065 -3.925 1.00 0.00 N ATOM 1077 CA TYR A 60 5.298 -7.198 -3.487 1.00 0.00 C ATOM 1078 C TYR A 60 5.817 -6.081 -2.592 1.00 0.00 C ATOM 1079 O TYR A 60 5.618 -4.900 -2.878 1.00 0.00 O ATOM 1080 CB TYR A 60 4.246 -7.994 -2.724 1.00 0.00 C ATOM 1081 CG TYR A 60 3.886 -9.311 -3.360 1.00 0.00 C ATOM 1082 CD1 TYR A 60 3.678 -9.412 -4.728 1.00 0.00 C ATOM 1083 CD2 TYR A 60 3.754 -10.453 -2.587 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.347 -10.620 -5.308 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.425 -11.663 -3.157 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.223 -11.744 -4.520 1.00 0.00 C ATOM 1087 OH TYR A 60 2.895 -12.951 -5.093 1.00 0.00 O ATOM 0 H TYR A 60 6.276 -9.047 -3.672 1.00 0.00 H new ATOM 0 HA TYR A 60 4.848 -6.765 -4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.609 -8.179 -1.713 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.344 -7.389 -2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.776 -8.533 -5.348 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.912 -10.394 -1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.186 -10.684 -6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.326 -12.544 -2.540 1.00 0.00 H new ATOM 0 HH TYR A 60 1.923 -13.071 -5.069 1.00 0.00 H new ATOM 1097 N ILE A 61 6.492 -6.460 -1.509 1.00 0.00 N ATOM 1098 CA ILE A 61 7.043 -5.478 -0.580 1.00 0.00 C ATOM 1099 C ILE A 61 7.981 -4.532 -1.315 1.00 0.00 C ATOM 1100 O ILE A 61 8.191 -3.395 -0.896 1.00 0.00 O ATOM 1101 CB ILE A 61 7.793 -6.150 0.590 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.815 -6.937 1.465 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.530 -5.111 1.427 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.564 -8.348 0.985 1.00 0.00 C ATOM 0 H ILE A 61 6.669 -7.432 -1.255 1.00 0.00 H new ATOM 0 HA ILE A 61 6.207 -4.917 -0.163 1.00 0.00 H new ATOM 0 HB ILE A 61 8.527 -6.840 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.202 -6.973 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.866 -6.402 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.051 -5.607 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.252 -4.586 0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.814 -4.396 1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.861 -8.841 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.147 -8.321 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.503 -8.901 0.973 1.00 0.00 H new ATOM 1116 N GLN A 62 8.531 -5.010 -2.425 1.00 0.00 N ATOM 1117 CA GLN A 62 9.429 -4.207 -3.230 1.00 0.00 C ATOM 1118 C GLN A 62 8.642 -3.188 -4.044 1.00 0.00 C ATOM 1119 O GLN A 62 9.210 -2.225 -4.556 1.00 0.00 O ATOM 1120 CB GLN A 62 10.254 -5.098 -4.159 1.00 0.00 C ATOM 1121 CG GLN A 62 11.588 -5.512 -3.565 1.00 0.00 C ATOM 1122 CD GLN A 62 12.632 -4.420 -3.668 1.00 0.00 C ATOM 1123 OE1 GLN A 62 12.503 -3.360 -3.055 1.00 0.00 O ATOM 1124 NE2 GLN A 62 13.674 -4.672 -4.449 1.00 0.00 N ATOM 0 H GLN A 62 8.368 -5.951 -2.784 1.00 0.00 H new ATOM 0 HA GLN A 62 10.108 -3.675 -2.563 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.678 -5.992 -4.400 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.430 -4.570 -5.096 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.448 -5.779 -2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.949 -6.404 -4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.740 -5.564 -4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.409 -3.973 -4.560 1.00 0.00 H new ATOM 1133 N ASP A 63 7.323 -3.375 -4.130 1.00 0.00 N ATOM 1134 CA ASP A 63 6.484 -2.441 -4.852 1.00 0.00 C ATOM 1135 C ASP A 63 6.157 -1.281 -3.934 1.00 0.00 C ATOM 1136 O ASP A 63 5.866 -0.171 -4.376 1.00 0.00 O ATOM 1137 CB ASP A 63 5.200 -3.121 -5.332 1.00 0.00 C ATOM 1138 CG ASP A 63 4.646 -2.485 -6.593 1.00 0.00 C ATOM 1139 OD1 ASP A 63 4.946 -1.297 -6.839 1.00 0.00 O ATOM 1140 OD2 ASP A 63 3.913 -3.175 -7.332 1.00 0.00 O ATOM 0 H ASP A 63 6.825 -4.160 -3.710 1.00 0.00 H new ATOM 0 HA ASP A 63 7.014 -2.080 -5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.399 -4.177 -5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.449 -3.072 -4.543 1.00 0.00 H new ATOM 1145 N PHE A 64 6.220 -1.567 -2.641 1.00 0.00 N ATOM 1146 CA PHE A 64 5.951 -0.587 -1.615 1.00 0.00 C ATOM 1147 C PHE A 64 7.181 0.260 -1.334 1.00 0.00 C ATOM 1148 O PHE A 64 7.181 1.474 -1.530 1.00 0.00 O ATOM 1149 CB PHE A 64 5.539 -1.306 -0.341 1.00 0.00 C ATOM 1150 CG PHE A 64 4.342 -0.707 0.302 1.00 0.00 C ATOM 1151 CD1 PHE A 64 3.081 -1.098 -0.089 1.00 0.00 C ATOM 1152 CD2 PHE A 64 4.483 0.250 1.285 1.00 0.00 C ATOM 1153 CE1 PHE A 64 1.962 -0.539 0.500 1.00 0.00 C ATOM 1154 CE2 PHE A 64 3.377 0.813 1.879 1.00 0.00 C ATOM 1155 CZ PHE A 64 2.110 0.420 1.487 1.00 0.00 C ATOM 0 H PHE A 64 6.460 -2.490 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 64 5.152 0.069 -1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 64 5.336 -2.352 -0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.370 -1.289 0.364 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.965 -1.845 -0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.471 0.560 1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.975 -0.850 0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.498 1.560 2.650 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.239 0.860 1.950 1.00 0.00 H new ATOM 1165 N GLN A 65 8.220 -0.404 -0.849 1.00 0.00 N ATOM 1166 CA GLN A 65 9.464 0.259 -0.502 1.00 0.00 C ATOM 1167 C GLN A 65 10.051 1.033 -1.683 1.00 0.00 C ATOM 1168 O GLN A 65 10.635 2.101 -1.498 1.00 0.00 O ATOM 1169 CB GLN A 65 10.472 -0.773 0.007 1.00 0.00 C ATOM 1170 CG GLN A 65 10.039 -1.459 1.292 1.00 0.00 C ATOM 1171 CD GLN A 65 11.067 -1.334 2.399 1.00 0.00 C ATOM 1172 OE1 GLN A 65 11.949 -0.475 2.350 1.00 0.00 O ATOM 1173 NE2 GLN A 65 10.962 -2.195 3.404 1.00 0.00 N ATOM 0 H GLN A 65 8.223 -1.411 -0.686 1.00 0.00 H new ATOM 0 HA GLN A 65 9.249 0.983 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.628 -1.528 -0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.431 -0.282 0.172 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.096 -1.029 1.628 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.855 -2.514 1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.216 -2.890 3.404 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.628 -2.161 4.176 1.00 0.00 H new ATOM 1182 N ARG A 66 9.912 0.493 -2.893 1.00 0.00 N ATOM 1183 CA ARG A 66 10.453 1.153 -4.079 1.00 0.00 C ATOM 1184 C ARG A 66 9.572 2.322 -4.525 1.00 0.00 C ATOM 1185 O ARG A 66 10.047 3.251 -5.177 1.00 0.00 O ATOM 1186 CB ARG A 66 10.632 0.144 -5.224 1.00 0.00 C ATOM 1187 CG ARG A 66 9.415 -0.006 -6.129 1.00 0.00 C ATOM 1188 CD ARG A 66 9.578 0.793 -7.412 1.00 0.00 C ATOM 1189 NE ARG A 66 8.685 0.320 -8.468 1.00 0.00 N ATOM 1190 CZ ARG A 66 8.907 -0.775 -9.191 1.00 0.00 C ATOM 1191 NH1 ARG A 66 9.990 -1.512 -8.978 1.00 0.00 N ATOM 1192 NH2 ARG A 66 8.045 -1.133 -10.133 1.00 0.00 N ATOM 0 H ARG A 66 9.435 -0.390 -3.077 1.00 0.00 H new ATOM 0 HA ARG A 66 11.430 1.558 -3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.485 0.449 -5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.875 -0.830 -4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.266 -1.059 -6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.523 0.329 -5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.377 1.845 -7.212 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.611 0.725 -7.753 1.00 0.00 H new ATOM 0 HE ARG A 66 7.842 0.861 -8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.658 -1.240 -8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.154 -2.350 -9.536 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.212 -0.569 -10.303 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.215 -1.972 -10.687 1.00 0.00 H new ATOM 1206 N GLU A 67 8.290 2.271 -4.176 1.00 0.00 N ATOM 1207 CA GLU A 67 7.356 3.328 -4.551 1.00 0.00 C ATOM 1208 C GLU A 67 7.277 4.404 -3.472 1.00 0.00 C ATOM 1209 O GLU A 67 7.160 5.591 -3.774 1.00 0.00 O ATOM 1210 CB GLU A 67 5.966 2.747 -4.806 1.00 0.00 C ATOM 1211 CG GLU A 67 5.820 2.094 -6.170 1.00 0.00 C ATOM 1212 CD GLU A 67 5.071 2.966 -7.158 1.00 0.00 C ATOM 1213 OE1 GLU A 67 5.213 4.205 -7.081 1.00 0.00 O ATOM 1214 OE2 GLU A 67 4.343 2.411 -8.008 1.00 0.00 O ATOM 0 H GLU A 67 7.875 1.512 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 67 7.726 3.787 -5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.742 2.011 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.226 3.542 -4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.809 1.868 -6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.296 1.144 -6.060 1.00 0.00 H new ATOM 1221 N LYS A 68 7.333 3.980 -2.214 1.00 0.00 N ATOM 1222 CA LYS A 68 7.261 4.908 -1.090 1.00 0.00 C ATOM 1223 C LYS A 68 8.378 5.943 -1.144 1.00 0.00 C ATOM 1224 O LYS A 68 8.294 6.993 -0.507 1.00 0.00 O ATOM 1225 CB LYS A 68 7.317 4.144 0.234 1.00 0.00 C ATOM 1226 CG LYS A 68 5.950 3.889 0.849 1.00 0.00 C ATOM 1227 CD LYS A 68 6.022 3.842 2.368 1.00 0.00 C ATOM 1228 CE LYS A 68 6.263 5.222 2.957 1.00 0.00 C ATOM 1229 NZ LYS A 68 6.933 5.149 4.285 1.00 0.00 N ATOM 0 H LYS A 68 7.428 3.000 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 68 6.311 5.437 -1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.817 3.189 0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.926 4.706 0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.259 4.674 0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.551 2.947 0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.093 3.433 2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.823 3.169 2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.877 5.807 2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.312 5.745 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.080 6.111 4.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.336 4.613 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.852 4.673 4.184 1.00 0.00 H new ATOM 1243 N GLN A 69 9.424 5.643 -1.899 1.00 0.00 N ATOM 1244 CA GLN A 69 10.556 6.546 -2.027 1.00 0.00 C ATOM 1245 C GLN A 69 10.272 7.648 -3.045 1.00 0.00 C ATOM 1246 O GLN A 69 10.728 8.782 -2.888 1.00 0.00 O ATOM 1247 CB GLN A 69 11.795 5.759 -2.439 1.00 0.00 C ATOM 1248 CG GLN A 69 13.100 6.375 -1.961 1.00 0.00 C ATOM 1249 CD GLN A 69 13.899 5.439 -1.077 1.00 0.00 C ATOM 1250 OE1 GLN A 69 15.001 5.020 -1.432 1.00 0.00 O ATOM 1251 NE2 GLN A 69 13.347 5.105 0.083 1.00 0.00 N ATOM 0 H GLN A 69 9.512 4.779 -2.433 1.00 0.00 H new ATOM 0 HA GLN A 69 10.729 7.019 -1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.717 4.745 -2.046 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.818 5.679 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.703 6.655 -2.825 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.885 7.292 -1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.431 5.476 0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 69 13.838 4.478 0.720 1.00 0.00 H new ATOM 1260 N GLU A 70 9.521 7.310 -4.086 1.00 0.00 N ATOM 1261 CA GLU A 70 9.182 8.273 -5.128 1.00 0.00 C ATOM 1262 C GLU A 70 7.814 8.900 -4.872 1.00 0.00 C ATOM 1263 O GLU A 70 7.552 10.029 -5.288 1.00 0.00 O ATOM 1264 CB GLU A 70 9.201 7.599 -6.500 1.00 0.00 C ATOM 1265 CG GLU A 70 10.565 7.623 -7.170 1.00 0.00 C ATOM 1266 CD GLU A 70 10.499 7.263 -8.641 1.00 0.00 C ATOM 1267 OE1 GLU A 70 9.984 8.082 -9.431 1.00 0.00 O ATOM 1268 OE2 GLU A 70 10.961 6.161 -9.005 1.00 0.00 O ATOM 0 H GLU A 70 9.135 6.377 -4.232 1.00 0.00 H new ATOM 0 HA GLU A 70 9.930 9.066 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.877 6.564 -6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.478 8.093 -7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.001 8.616 -7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.229 6.926 -6.659 1.00 0.00 H new ATOM 1275 N PHE A 71 6.945 8.162 -4.190 1.00 0.00 N ATOM 1276 CA PHE A 71 5.605 8.650 -3.883 1.00 0.00 C ATOM 1277 C PHE A 71 5.662 9.928 -3.054 1.00 0.00 C ATOM 1278 O PHE A 71 5.121 10.960 -3.449 1.00 0.00 O ATOM 1279 CB PHE A 71 4.809 7.579 -3.134 1.00 0.00 C ATOM 1280 CG PHE A 71 3.360 7.524 -3.525 1.00 0.00 C ATOM 1281 CD1 PHE A 71 2.479 8.509 -3.107 1.00 0.00 C ATOM 1282 CD2 PHE A 71 2.879 6.490 -4.309 1.00 0.00 C ATOM 1283 CE1 PHE A 71 1.145 8.462 -3.465 1.00 0.00 C ATOM 1284 CE2 PHE A 71 1.546 6.436 -4.672 1.00 0.00 C ATOM 1285 CZ PHE A 71 0.678 7.423 -4.248 1.00 0.00 C ATOM 0 H PHE A 71 7.144 7.225 -3.840 1.00 0.00 H new ATOM 0 HA PHE A 71 5.106 8.875 -4.826 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.264 6.605 -3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.881 7.767 -2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.839 9.322 -2.495 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.554 5.715 -4.642 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.468 9.236 -3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.184 5.624 -5.286 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.364 7.383 -4.528 1.00 0.00 H new ATOM 1295 N GLU A 72 6.320 9.851 -1.901 1.00 0.00 N ATOM 1296 CA GLU A 72 6.446 11.002 -1.011 1.00 0.00 C ATOM 1297 C GLU A 72 7.081 12.193 -1.726 1.00 0.00 C ATOM 1298 O GLU A 72 6.927 13.338 -1.299 1.00 0.00 O ATOM 1299 CB GLU A 72 7.277 10.631 0.219 1.00 0.00 C ATOM 1300 CG GLU A 72 7.059 11.561 1.404 1.00 0.00 C ATOM 1301 CD GLU A 72 8.355 12.131 1.946 1.00 0.00 C ATOM 1302 OE1 GLU A 72 9.171 11.351 2.479 1.00 0.00 O ATOM 1303 OE2 GLU A 72 8.555 13.360 1.836 1.00 0.00 O ATOM 0 H GLU A 72 6.774 9.004 -1.561 1.00 0.00 H new ATOM 0 HA GLU A 72 5.443 11.290 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.033 9.612 0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.333 10.640 -0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.405 12.379 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.546 11.018 2.197 1.00 0.00 H new ATOM 1310 N ARG A 73 7.799 11.919 -2.812 1.00 0.00 N ATOM 1311 CA ARG A 73 8.460 12.969 -3.579 1.00 0.00 C ATOM 1312 C ARG A 73 7.476 14.062 -3.995 1.00 0.00 C ATOM 1313 O ARG A 73 7.679 15.238 -3.693 1.00 0.00 O ATOM 1314 CB ARG A 73 9.128 12.376 -4.820 1.00 0.00 C ATOM 1315 CG ARG A 73 10.105 13.325 -5.498 1.00 0.00 C ATOM 1316 CD ARG A 73 11.545 12.882 -5.300 1.00 0.00 C ATOM 1317 NE ARG A 73 12.421 13.384 -6.357 1.00 0.00 N ATOM 1318 CZ ARG A 73 13.748 13.279 -6.331 1.00 0.00 C ATOM 1319 NH1 ARG A 73 14.355 12.692 -5.307 1.00 0.00 N ATOM 1320 NH2 ARG A 73 14.470 13.762 -7.333 1.00 0.00 N ATOM 0 H ARG A 73 7.937 10.978 -3.180 1.00 0.00 H new ATOM 0 HA ARG A 73 9.218 13.420 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.656 11.465 -4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.357 12.089 -5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.883 13.376 -6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.975 14.330 -5.097 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.904 13.235 -4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.590 11.793 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 73 11.991 13.841 -7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.804 12.318 -4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.372 12.615 -5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.009 14.214 -8.123 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.487 13.682 -7.314 1.00 0.00 H new ATOM 1334 N ASN A 74 6.417 13.669 -4.696 1.00 0.00 N ATOM 1335 CA ASN A 74 5.414 14.622 -5.159 1.00 0.00 C ATOM 1336 C ASN A 74 4.183 14.625 -4.255 1.00 0.00 C ATOM 1337 O ASN A 74 3.464 15.619 -4.180 1.00 0.00 O ATOM 1338 CB ASN A 74 5.002 14.299 -6.596 1.00 0.00 C ATOM 1339 CG ASN A 74 4.366 12.929 -6.721 1.00 0.00 C ATOM 1340 OD1 ASN A 74 3.145 12.788 -6.648 1.00 0.00 O ATOM 1341 ND2 ASN A 74 5.194 11.908 -6.910 1.00 0.00 N ATOM 0 H ASN A 74 6.231 12.700 -4.955 1.00 0.00 H new ATOM 0 HA ASN A 74 5.861 15.616 -5.124 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.301 15.055 -6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.878 14.350 -7.242 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.824 10.962 -7.001 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.200 12.070 -6.964 1.00 0.00 H new ATOM 1348 N LEU A 75 3.941 13.506 -3.577 1.00 0.00 N ATOM 1349 CA LEU A 75 2.790 13.391 -2.686 1.00 0.00 C ATOM 1350 C LEU A 75 2.816 14.471 -1.609 1.00 0.00 C ATOM 1351 O LEU A 75 1.806 15.123 -1.344 1.00 0.00 O ATOM 1352 CB LEU A 75 2.757 12.006 -2.037 1.00 0.00 C ATOM 1353 CG LEU A 75 1.404 11.593 -1.456 1.00 0.00 C ATOM 1354 CD1 LEU A 75 1.040 12.469 -0.267 1.00 0.00 C ATOM 1355 CD2 LEU A 75 0.324 11.662 -2.525 1.00 0.00 C ATOM 0 H LEU A 75 4.523 12.670 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 75 1.889 13.527 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.057 11.267 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.501 11.977 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 75 1.479 10.563 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.074 12.159 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.801 12.367 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.983 13.510 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.633 11.365 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.251 12.682 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.579 10.989 -3.344 1.00 0.00 H new ATOM 1367 N ALA A 76 3.976 14.654 -0.987 1.00 0.00 N ATOM 1368 CA ALA A 76 4.130 15.651 0.066 1.00 0.00 C ATOM 1369 C ALA A 76 4.018 17.068 -0.488 1.00 0.00 C ATOM 1370 O ALA A 76 3.392 17.936 0.122 1.00 0.00 O ATOM 1371 CB ALA A 76 5.463 15.465 0.775 1.00 0.00 C ATOM 0 H ALA A 76 4.823 14.125 -1.194 1.00 0.00 H new ATOM 0 HA ALA A 76 3.322 15.509 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.566 16.215 1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.504 14.470 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.276 15.576 0.057 1.00 0.00 H new ATOM 1377 N ARG A 77 4.628 17.298 -1.646 1.00 0.00 N ATOM 1378 CA ARG A 77 4.599 18.613 -2.281 1.00 0.00 C ATOM 1379 C ARG A 77 3.347 18.790 -3.143 1.00 0.00 C ATOM 1380 O ARG A 77 3.161 19.837 -3.765 1.00 0.00 O ATOM 1381 CB ARG A 77 5.856 18.814 -3.132 1.00 0.00 C ATOM 1382 CG ARG A 77 6.813 19.851 -2.565 1.00 0.00 C ATOM 1383 CD ARG A 77 8.141 19.230 -2.155 1.00 0.00 C ATOM 1384 NE ARG A 77 8.333 19.255 -0.708 1.00 0.00 N ATOM 1385 CZ ARG A 77 9.210 18.489 -0.063 1.00 0.00 C ATOM 1386 NH1 ARG A 77 9.974 17.636 -0.732 1.00 0.00 N ATOM 1387 NH2 ARG A 77 9.321 18.575 1.256 1.00 0.00 N ATOM 0 H ARG A 77 5.149 16.591 -2.165 1.00 0.00 H new ATOM 0 HA ARG A 77 4.573 19.366 -1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.378 17.862 -3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.560 19.115 -4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.989 20.628 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.356 20.334 -1.702 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.184 18.200 -2.509 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.957 19.767 -2.638 1.00 0.00 H new ATOM 0 HE ARG A 77 7.762 19.897 -0.159 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.891 17.564 -1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 77 10.644 17.052 -0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.734 19.228 1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.993 17.988 1.751 1.00 0.00 H new ATOM 1401 N PHE A 78 2.499 17.765 -3.185 1.00 0.00 N ATOM 1402 CA PHE A 78 1.276 17.815 -3.980 1.00 0.00 C ATOM 1403 C PHE A 78 0.450 19.058 -3.659 1.00 0.00 C ATOM 1404 O PHE A 78 0.279 19.935 -4.508 1.00 0.00 O ATOM 1405 CB PHE A 78 0.436 16.559 -3.738 1.00 0.00 C ATOM 1406 CG PHE A 78 -0.507 16.243 -4.863 1.00 0.00 C ATOM 1407 CD1 PHE A 78 -0.064 16.228 -6.175 1.00 0.00 C ATOM 1408 CD2 PHE A 78 -1.841 15.962 -4.606 1.00 0.00 C ATOM 1409 CE1 PHE A 78 -0.931 15.938 -7.212 1.00 0.00 C ATOM 1410 CE2 PHE A 78 -2.712 15.671 -5.640 1.00 0.00 C ATOM 1411 CZ PHE A 78 -2.256 15.659 -6.943 1.00 0.00 C ATOM 0 H PHE A 78 2.637 16.891 -2.678 1.00 0.00 H new ATOM 0 HA PHE A 78 1.566 17.862 -5.030 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.102 15.710 -3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.137 16.686 -2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.972 16.446 -6.391 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.203 15.971 -3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.572 15.930 -8.231 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.748 15.453 -5.428 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.935 15.432 -7.751 1.00 0.00 H new ATOM 1421 N ARG A 79 -0.066 19.129 -2.436 1.00 0.00 N ATOM 1422 CA ARG A 79 -0.879 20.266 -2.017 1.00 0.00 C ATOM 1423 C ARG A 79 0.001 21.442 -1.580 1.00 0.00 C ATOM 1424 O ARG A 79 0.511 22.183 -2.419 1.00 0.00 O ATOM 1425 CB ARG A 79 -1.837 19.846 -0.896 1.00 0.00 C ATOM 1426 CG ARG A 79 -2.647 20.999 -0.320 1.00 0.00 C ATOM 1427 CD ARG A 79 -4.134 20.834 -0.594 1.00 0.00 C ATOM 1428 NE ARG A 79 -4.584 21.671 -1.702 1.00 0.00 N ATOM 1429 CZ ARG A 79 -5.794 21.589 -2.250 1.00 0.00 C ATOM 1430 NH1 ARG A 79 -6.677 20.709 -1.795 1.00 0.00 N ATOM 1431 NH2 ARG A 79 -6.122 22.390 -3.254 1.00 0.00 N ATOM 0 H ARG A 79 0.064 18.415 -1.719 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.471 20.600 -2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.521 19.089 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -1.263 19.381 -0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.480 21.060 0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.300 21.938 -0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.347 19.789 -0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.698 21.087 0.304 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.932 22.360 -2.079 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.430 20.091 -1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.603 20.650 -2.218 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.447 23.069 -3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.049 22.327 -3.674 1.00 0.00 H new ATOM 1445 N GLU A 80 0.176 21.618 -0.269 1.00 0.00 N ATOM 1446 CA GLU A 80 0.993 22.711 0.247 1.00 0.00 C ATOM 1447 C GLU A 80 2.388 22.219 0.642 1.00 0.00 C ATOM 1448 O GLU A 80 3.283 22.142 -0.199 1.00 0.00 O ATOM 1449 CB GLU A 80 0.296 23.378 1.437 1.00 0.00 C ATOM 1450 CG GLU A 80 -0.713 24.440 1.035 1.00 0.00 C ATOM 1451 CD GLU A 80 -0.728 25.621 1.985 1.00 0.00 C ATOM 1452 OE1 GLU A 80 -0.837 25.396 3.209 1.00 0.00 O ATOM 1453 OE2 GLU A 80 -0.627 26.770 1.507 1.00 0.00 O ATOM 0 H GLU A 80 -0.235 21.021 0.448 1.00 0.00 H new ATOM 0 HA GLU A 80 1.114 23.450 -0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.210 22.613 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.050 23.830 2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.484 24.791 0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.708 23.995 0.999 1.00 0.00 H new ATOM 1460 N ASP A 81 2.567 21.887 1.922 1.00 0.00 N ATOM 1461 CA ASP A 81 3.852 21.405 2.422 1.00 0.00 C ATOM 1462 C ASP A 81 3.819 21.258 3.940 1.00 0.00 C ATOM 1463 O ASP A 81 4.225 20.232 4.485 1.00 0.00 O ATOM 1464 CB ASP A 81 4.981 22.358 2.021 1.00 0.00 C ATOM 1465 CG ASP A 81 4.669 23.803 2.362 1.00 0.00 C ATOM 1466 OD1 ASP A 81 3.584 24.286 1.970 1.00 0.00 O ATOM 1467 OD2 ASP A 81 5.507 24.452 3.020 1.00 0.00 O ATOM 0 H ASP A 81 1.836 21.944 2.631 1.00 0.00 H new ATOM 0 HA ASP A 81 4.039 20.428 1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.900 22.059 2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.162 22.272 0.950 1.00 0.00 H new ATOM 1472 N HIS A 82 3.335 22.296 4.617 1.00 0.00 N ATOM 1473 CA HIS A 82 3.248 22.290 6.073 1.00 0.00 C ATOM 1474 C HIS A 82 2.400 21.120 6.567 1.00 0.00 C ATOM 1475 O HIS A 82 1.625 20.542 5.806 1.00 0.00 O ATOM 1476 CB HIS A 82 2.659 23.609 6.573 1.00 0.00 C ATOM 1477 CG HIS A 82 3.417 24.815 6.113 1.00 0.00 C ATOM 1478 ND1 HIS A 82 2.879 26.086 6.106 1.00 0.00 N ATOM 1479 CD2 HIS A 82 4.680 24.942 5.641 1.00 0.00 C ATOM 1480 CE1 HIS A 82 3.777 26.941 5.650 1.00 0.00 C ATOM 1481 NE2 HIS A 82 4.879 26.272 5.361 1.00 0.00 N ATOM 0 H HIS A 82 2.997 23.153 4.179 1.00 0.00 H new ATOM 0 HA HIS A 82 4.256 22.175 6.471 1.00 0.00 H new ATOM 0 HB2 HIS A 82 1.626 23.688 6.234 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.637 23.598 7.663 1.00 0.00 H new ATOM 0 HD2 HIS A 82 5.397 24.146 5.509 1.00 0.00 H new ATOM 0 HE1 HIS A 82 3.635 28.005 5.533 1.00 0.00 H new ATOM 0 HE2 HIS A 82 5.738 26.677 4.990 1.00 0.00 H new ATOM 1490 N PRO A 83 2.536 20.756 7.854 1.00 0.00 N ATOM 1491 CA PRO A 83 1.779 19.648 8.447 1.00 0.00 C ATOM 1492 C PRO A 83 0.281 19.768 8.192 1.00 0.00 C ATOM 1493 O PRO A 83 -0.173 20.689 7.510 1.00 0.00 O ATOM 1494 CB PRO A 83 2.080 19.772 9.942 1.00 0.00 C ATOM 1495 CG PRO A 83 3.401 20.455 10.006 1.00 0.00 C ATOM 1496 CD PRO A 83 3.440 21.393 8.833 1.00 0.00 C ATOM 0 HA PRO A 83 2.063 18.686 8.021 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.310 20.349 10.454 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.116 18.794 10.421 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.514 20.999 10.944 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.216 19.733 9.956 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.098 22.391 9.105 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.450 21.499 8.437 1.00 0.00 H new ATOM 1504 N ASP A 84 -0.485 18.833 8.746 1.00 0.00 N ATOM 1505 CA ASP A 84 -1.935 18.831 8.577 1.00 0.00 C ATOM 1506 C ASP A 84 -2.544 20.141 9.068 1.00 0.00 C ATOM 1507 O ASP A 84 -1.873 20.946 9.717 1.00 0.00 O ATOM 1508 CB ASP A 84 -2.554 17.654 9.333 1.00 0.00 C ATOM 1509 CG ASP A 84 -3.710 17.025 8.577 1.00 0.00 C ATOM 1510 OD1 ASP A 84 -3.652 16.987 7.331 1.00 0.00 O ATOM 1511 OD2 ASP A 84 -4.670 16.572 9.234 1.00 0.00 O ATOM 0 H ASP A 84 -0.126 18.067 9.316 1.00 0.00 H new ATOM 0 HA ASP A 84 -2.151 18.728 7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.789 16.899 9.515 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.903 17.995 10.308 1.00 0.00 H new ATOM 1516 N LEU A 85 -3.818 20.349 8.754 1.00 0.00 N ATOM 1517 CA LEU A 85 -4.519 21.561 9.162 1.00 0.00 C ATOM 1518 C LEU A 85 -5.940 21.240 9.616 1.00 0.00 C ATOM 1519 O LEU A 85 -6.262 21.346 10.800 1.00 0.00 O ATOM 1520 CB LEU A 85 -4.549 22.568 8.010 1.00 0.00 C ATOM 1521 CG LEU A 85 -3.825 23.887 8.287 1.00 0.00 C ATOM 1522 CD1 LEU A 85 -3.826 24.766 7.046 1.00 0.00 C ATOM 1523 CD2 LEU A 85 -4.471 24.613 9.458 1.00 0.00 C ATOM 0 H LEU A 85 -4.387 19.694 8.218 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.981 22.000 10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.104 22.104 7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.588 22.786 7.764 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.791 23.665 8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.307 25.700 7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.318 24.248 6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.854 24.981 6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.944 25.549 9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.514 24.824 9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.418 23.986 10.348 1.00 0.00 H new ATOM 1535 N ILE A 86 -6.783 20.844 8.668 1.00 0.00 N ATOM 1536 CA ILE A 86 -8.169 20.506 8.969 1.00 0.00 C ATOM 1537 C ILE A 86 -8.414 19.009 8.811 1.00 0.00 C ATOM 1538 O ILE A 86 -9.063 18.384 9.651 1.00 0.00 O ATOM 1539 CB ILE A 86 -9.146 21.281 8.062 1.00 0.00 C ATOM 1540 CG1 ILE A 86 -10.594 20.991 8.463 1.00 0.00 C ATOM 1541 CG2 ILE A 86 -8.912 20.925 6.600 1.00 0.00 C ATOM 1542 CD1 ILE A 86 -10.937 21.455 9.861 1.00 0.00 C ATOM 0 H ILE A 86 -6.530 20.749 7.684 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.349 20.791 10.005 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.963 22.348 8.189 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.264 21.477 7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.775 19.919 8.390 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.610 21.481 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.890 21.183 6.322 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -9.068 19.856 6.456 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.978 21.217 10.078 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.292 20.950 10.580 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.788 22.532 9.934 1.00 0.00 H new ATOM 1554 N GLN A 87 -7.892 18.440 7.729 1.00 0.00 N ATOM 1555 CA GLN A 87 -8.052 17.016 7.459 1.00 0.00 C ATOM 1556 C GLN A 87 -7.297 16.614 6.196 1.00 0.00 C ATOM 1557 O GLN A 87 -6.491 17.383 5.671 1.00 0.00 O ATOM 1558 CB GLN A 87 -9.537 16.666 7.320 1.00 0.00 C ATOM 1559 CG GLN A 87 -10.007 15.613 8.310 1.00 0.00 C ATOM 1560 CD GLN A 87 -11.214 14.843 7.812 1.00 0.00 C ATOM 1561 OE1 GLN A 87 -12.038 15.370 7.066 1.00 0.00 O ATOM 1562 NE2 GLN A 87 -11.325 13.585 8.227 1.00 0.00 N ATOM 0 H GLN A 87 -7.354 18.944 7.024 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.634 16.461 8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.130 17.571 7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -9.725 16.310 6.307 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -9.192 14.916 8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.253 16.094 9.257 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.618 13.188 8.846 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.117 13.017 7.927 1.00 0.00 H new ATOM 1571 N ASN A 88 -7.563 15.404 5.712 1.00 0.00 N ATOM 1572 CA ASN A 88 -6.908 14.902 4.511 1.00 0.00 C ATOM 1573 C ASN A 88 -7.762 13.836 3.830 1.00 0.00 C ATOM 1574 O ASN A 88 -7.238 12.885 3.249 1.00 0.00 O ATOM 1575 CB ASN A 88 -5.533 14.328 4.854 1.00 0.00 C ATOM 1576 CG ASN A 88 -5.619 13.163 5.823 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -6.086 12.081 5.470 1.00 0.00 O ATOM 1578 ND2 ASN A 88 -5.167 13.381 7.052 1.00 0.00 N ATOM 0 H ASN A 88 -8.227 14.755 6.133 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.782 15.737 3.822 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.040 14.000 3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.912 15.112 5.287 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.199 12.635 7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.788 14.294 7.301 1.00 0.00 H new ATOM 1585 N ALA A 89 -9.078 14.000 3.907 1.00 0.00 N ATOM 1586 CA ALA A 89 -10.004 13.053 3.299 1.00 0.00 C ATOM 1587 C ALA A 89 -11.438 13.567 3.364 1.00 0.00 C ATOM 1588 O ALA A 89 -11.914 13.975 4.424 1.00 0.00 O ATOM 1589 CB ALA A 89 -9.897 11.697 3.982 1.00 0.00 C ATOM 0 H ALA A 89 -9.527 14.781 4.385 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.733 12.942 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.594 11.000 3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.881 11.317 3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.139 11.802 5.040 1.00 0.00 H new ATOM 1595 N LYS A 90 -12.121 13.545 2.225 1.00 0.00 N ATOM 1596 CA LYS A 90 -13.502 14.011 2.152 1.00 0.00 C ATOM 1597 C LYS A 90 -14.248 13.326 1.012 1.00 0.00 C ATOM 1598 O LYS A 90 -13.691 12.481 0.312 1.00 0.00 O ATOM 1599 CB LYS A 90 -13.541 15.529 1.961 1.00 0.00 C ATOM 1600 CG LYS A 90 -13.308 16.310 3.246 1.00 0.00 C ATOM 1601 CD LYS A 90 -14.258 17.494 3.361 1.00 0.00 C ATOM 1602 CE LYS A 90 -13.513 18.779 3.686 1.00 0.00 C ATOM 1603 NZ LYS A 90 -14.221 19.587 4.718 1.00 0.00 N ATOM 0 H LYS A 90 -11.742 13.210 1.340 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.995 13.756 3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.785 15.814 1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.509 15.810 1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.442 15.650 4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.278 16.665 3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.804 17.616 2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.997 17.295 4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.510 18.538 4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.397 19.371 2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.680 20.454 4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.169 19.839 4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.309 19.032 5.593 1.00 0.00 H new ATOM 1617 N LYS A 91 -15.512 13.696 0.832 1.00 0.00 N ATOM 1618 CA LYS A 91 -16.334 13.117 -0.223 1.00 0.00 C ATOM 1619 C LYS A 91 -16.016 13.751 -1.573 1.00 0.00 C ATOM 1620 O LYS A 91 -15.544 14.907 -1.584 1.00 0.00 O ATOM 1621 CB LYS A 91 -17.819 13.299 0.100 1.00 0.00 C ATOM 1622 CG LYS A 91 -18.404 12.168 0.931 1.00 0.00 C ATOM 1623 CD LYS A 91 -19.854 11.900 0.564 1.00 0.00 C ATOM 1624 CE LYS A 91 -20.689 11.572 1.792 1.00 0.00 C ATOM 1625 NZ LYS A 91 -20.095 10.461 2.589 1.00 0.00 N ATOM 0 H LYS A 91 -15.989 14.394 1.403 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.108 12.052 -0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.953 14.239 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -18.378 13.380 -0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.816 11.263 0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -18.336 12.420 1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -20.271 12.773 0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -19.904 11.072 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -20.778 12.460 2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -21.697 11.298 1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.791 10.121 3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -19.829 9.681 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.249 10.805 3.087 1.00 0.00 H new TER 1639 LYS A 91