USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 772 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 9 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -114:sc= -1.33 (180deg=-3.68!) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0323 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.432 K(o=-0.43,f=-2.9!) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0545) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.737 X(o=-0.74,f=-0.27) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0344) USER MOD Single : A 20 ASN : amide:sc= 1.03 K(o=1,f=-0.47) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.6!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0818 X(o=-0.082,f=0) USER MOD Single : A 45 GLN : amide:sc= 1.01 K(o=1,f=-0.43) USER MOD Single : A 47 HIS : no HD1:sc= -0.377 K(o=-0.38,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -94:sc= -4.73! USER MOD Single : A 60 HIS : no HE2:sc= -4.81! C(o=-4.8!,f=-4.7!) USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= -2.71! (180deg=-2.85!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -170:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2.8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.564 -4.469 12.741 1.00 0.00 N ATOM 2 CA MET A 1 -12.192 -3.427 11.748 1.00 0.00 C ATOM 3 C MET A 1 -12.652 -3.813 10.346 1.00 0.00 C ATOM 4 O MET A 1 -13.373 -4.796 10.168 1.00 0.00 O ATOM 5 CB MET A 1 -10.672 -3.250 11.775 1.00 0.00 C ATOM 6 CG MET A 1 -10.211 -2.078 12.627 1.00 0.00 C ATOM 7 SD MET A 1 -10.597 -0.483 11.880 1.00 0.00 S ATOM 8 CE MET A 1 -12.178 -0.125 12.641 1.00 0.00 C ATOM 0 H1 MET A 1 -11.755 -4.657 13.367 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.370 -4.136 13.308 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.828 -5.344 12.244 1.00 0.00 H new ATOM 0 HA MET A 1 -12.685 -2.491 12.009 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.215 -4.165 12.152 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.313 -3.111 10.755 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.682 -2.139 13.608 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.135 -2.150 12.785 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.958 -0.129 11.879 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.401 -0.883 13.392 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.139 0.855 13.116 1.00 0.00 H new ATOM 20 N LEU A 2 -12.233 -3.035 9.356 1.00 0.00 N ATOM 21 CA LEU A 2 -12.603 -3.294 7.970 1.00 0.00 C ATOM 22 C LEU A 2 -11.819 -4.474 7.405 1.00 0.00 C ATOM 23 O LEU A 2 -10.617 -4.605 7.639 1.00 0.00 O ATOM 24 CB LEU A 2 -12.357 -2.051 7.112 1.00 0.00 C ATOM 25 CG LEU A 2 -13.268 -0.862 7.422 1.00 0.00 C ATOM 26 CD1 LEU A 2 -12.461 0.308 7.963 1.00 0.00 C ATOM 27 CD2 LEU A 2 -14.045 -0.444 6.181 1.00 0.00 C ATOM 0 H LEU A 2 -11.636 -2.218 9.487 1.00 0.00 H new ATOM 0 HA LEU A 2 -13.664 -3.541 7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.321 -1.739 7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.481 -2.321 6.063 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.980 -1.170 8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.129 1.143 8.177 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.952 0.007 8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.723 0.614 7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.687 0.403 6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.347 -0.158 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.658 -1.278 5.837 1.00 0.00 H new ATOM 39 N LYS A 3 -12.509 -5.325 6.655 1.00 0.00 N ATOM 40 CA LYS A 3 -11.885 -6.494 6.045 1.00 0.00 C ATOM 41 C LYS A 3 -10.733 -6.076 5.135 1.00 0.00 C ATOM 42 O LYS A 3 -10.629 -4.914 4.749 1.00 0.00 O ATOM 43 CB LYS A 3 -12.923 -7.283 5.248 1.00 0.00 C ATOM 44 CG LYS A 3 -12.649 -8.776 5.203 1.00 0.00 C ATOM 45 CD LYS A 3 -12.054 -9.189 3.867 1.00 0.00 C ATOM 46 CE LYS A 3 -13.013 -8.909 2.720 1.00 0.00 C ATOM 47 NZ LYS A 3 -12.636 -9.654 1.487 1.00 0.00 N ATOM 0 H LYS A 3 -13.504 -5.227 6.454 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.486 -7.127 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.908 -7.116 5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.956 -6.897 4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.965 -9.047 6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.576 -9.323 5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.120 -8.652 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.811 -10.251 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.025 -9.186 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.024 -7.840 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.314 -9.436 0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.681 -9.371 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.650 -10.676 1.681 1.00 0.00 H new ATOM 61 N LEU A 4 -9.870 -7.027 4.796 1.00 0.00 N ATOM 62 CA LEU A 4 -8.728 -6.748 3.930 1.00 0.00 C ATOM 63 C LEU A 4 -8.709 -7.689 2.732 1.00 0.00 C ATOM 64 O LEU A 4 -9.090 -8.855 2.838 1.00 0.00 O ATOM 65 CB LEU A 4 -7.420 -6.874 4.713 1.00 0.00 C ATOM 66 CG LEU A 4 -6.154 -6.556 3.910 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.313 -5.509 4.626 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.342 -7.820 3.670 1.00 0.00 C ATOM 0 H LEU A 4 -9.938 -7.996 5.106 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.826 -5.726 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.463 -6.207 5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.342 -7.890 5.100 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.455 -6.151 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.419 -5.297 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.894 -4.594 4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.023 -5.884 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.447 -7.574 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.053 -8.254 4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.943 -8.538 3.112 1.00 0.00 H new ATOM 80 N ASN A 5 -8.261 -7.175 1.591 1.00 0.00 N ATOM 81 CA ASN A 5 -8.190 -7.970 0.370 1.00 0.00 C ATOM 82 C ASN A 5 -6.851 -7.773 -0.333 1.00 0.00 C ATOM 83 O ASN A 5 -5.973 -7.072 0.171 1.00 0.00 O ATOM 84 CB ASN A 5 -9.334 -7.592 -0.574 1.00 0.00 C ATOM 85 CG ASN A 5 -9.882 -8.792 -1.323 1.00 0.00 C ATOM 86 OD1 ASN A 5 -9.458 -9.926 -1.100 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.832 -8.546 -2.220 1.00 0.00 N ATOM 0 H ASN A 5 -7.942 -6.212 1.486 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.283 -9.021 0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.136 -7.127 -0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.981 -6.850 -1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.239 -9.313 -2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.154 -7.590 -2.373 1.00 0.00 H new ATOM 94 N LEU A 6 -6.700 -8.396 -1.495 1.00 0.00 N ATOM 95 CA LEU A 6 -5.466 -8.289 -2.266 1.00 0.00 C ATOM 96 C LEU A 6 -5.756 -8.311 -3.763 1.00 0.00 C ATOM 97 O LEU A 6 -6.558 -9.115 -4.240 1.00 0.00 O ATOM 98 CB LEU A 6 -4.514 -9.431 -1.903 1.00 0.00 C ATOM 99 CG LEU A 6 -3.956 -9.381 -0.481 1.00 0.00 C ATOM 100 CD1 LEU A 6 -3.705 -10.786 0.043 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.677 -8.559 -0.440 1.00 0.00 C ATOM 0 H LEU A 6 -7.416 -8.981 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.994 -7.338 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.038 -10.377 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.680 -9.425 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.694 -8.902 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.308 -10.731 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.641 -11.344 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.986 -11.292 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.293 -8.534 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.933 -9.010 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.887 -7.543 -0.774 1.00 0.00 H new ATOM 113 N LYS A 7 -5.097 -7.424 -4.501 1.00 0.00 N ATOM 114 CA LYS A 7 -5.284 -7.341 -5.945 1.00 0.00 C ATOM 115 C LYS A 7 -4.092 -7.946 -6.682 1.00 0.00 C ATOM 116 O LYS A 7 -3.075 -8.276 -6.072 1.00 0.00 O ATOM 117 CB LYS A 7 -5.477 -5.886 -6.373 1.00 0.00 C ATOM 118 CG LYS A 7 -6.850 -5.326 -6.029 1.00 0.00 C ATOM 119 CD LYS A 7 -7.691 -5.106 -7.277 1.00 0.00 C ATOM 120 CE LYS A 7 -9.164 -5.373 -7.008 1.00 0.00 C ATOM 121 NZ LYS A 7 -9.450 -6.828 -6.884 1.00 0.00 N ATOM 0 H LYS A 7 -4.429 -6.752 -4.123 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.177 -7.910 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.713 -5.272 -5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.322 -5.809 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.366 -6.012 -5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.736 -4.383 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.563 -4.082 -7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.340 -5.762 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.464 -4.865 -6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.763 -4.953 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.476 -6.986 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.979 -7.341 -7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.095 -7.175 -5.970 1.00 0.00 H new ATOM 135 N LYS A 8 -4.226 -8.088 -7.996 1.00 0.00 N ATOM 136 CA LYS A 8 -3.160 -8.652 -8.816 1.00 0.00 C ATOM 137 C LYS A 8 -1.983 -7.688 -8.918 1.00 0.00 C ATOM 138 O LYS A 8 -0.827 -8.107 -8.983 1.00 0.00 O ATOM 139 CB LYS A 8 -3.686 -8.985 -10.214 1.00 0.00 C ATOM 140 CG LYS A 8 -2.645 -9.629 -11.117 1.00 0.00 C ATOM 141 CD LYS A 8 -3.231 -10.786 -11.912 1.00 0.00 C ATOM 142 CE LYS A 8 -2.841 -12.128 -11.314 1.00 0.00 C ATOM 143 NZ LYS A 8 -3.944 -12.719 -10.508 1.00 0.00 N ATOM 0 H LYS A 8 -5.062 -7.821 -8.516 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.814 -9.568 -8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.540 -9.656 -10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.048 -8.071 -10.685 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.245 -8.882 -11.802 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.811 -9.987 -10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.317 -10.699 -11.936 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.884 -10.732 -12.944 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.567 -12.816 -12.114 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.959 -12.003 -10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.638 -13.633 -10.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.189 -12.075 -9.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.778 -12.863 -11.113 1.00 0.00 H new ATOM 157 N SER A 9 -2.284 -6.393 -8.932 1.00 0.00 N ATOM 158 CA SER A 9 -1.249 -5.368 -9.024 1.00 0.00 C ATOM 159 C SER A 9 -0.375 -5.364 -7.776 1.00 0.00 C ATOM 160 O SER A 9 0.815 -5.050 -7.839 1.00 0.00 O ATOM 161 CB SER A 9 -1.884 -3.990 -9.222 1.00 0.00 C ATOM 162 OG SER A 9 -2.241 -3.781 -10.578 1.00 0.00 O ATOM 0 H SER A 9 -3.235 -6.028 -8.881 1.00 0.00 H new ATOM 0 HA SER A 9 -0.620 -5.598 -9.884 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.769 -3.900 -8.592 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.186 -3.216 -8.903 1.00 0.00 H new ATOM 0 HG SER A 9 -2.646 -2.894 -10.677 1.00 0.00 H new ATOM 168 N PHE A 10 -0.971 -5.713 -6.642 1.00 0.00 N ATOM 169 CA PHE A 10 -0.247 -5.751 -5.377 1.00 0.00 C ATOM 170 C PHE A 10 0.621 -7.001 -5.284 1.00 0.00 C ATOM 171 O PHE A 10 1.692 -6.981 -4.678 1.00 0.00 O ATOM 172 CB PHE A 10 -1.228 -5.710 -4.205 1.00 0.00 C ATOM 173 CG PHE A 10 -0.559 -5.558 -2.868 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.084 -6.666 -2.188 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.404 -4.305 -2.297 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.534 -6.529 -0.958 1.00 0.00 C ATOM 177 CE2 PHE A 10 0.213 -4.163 -1.068 1.00 0.00 C ATOM 178 CZ PHE A 10 0.683 -5.276 -0.398 1.00 0.00 C ATOM 0 H PHE A 10 -1.955 -5.974 -6.573 1.00 0.00 H new ATOM 0 HA PHE A 10 0.402 -4.876 -5.331 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.922 -4.882 -4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.819 -6.626 -4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.197 -7.648 -2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.769 -3.431 -2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.899 -7.401 -0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.328 -3.182 -0.632 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.166 -5.166 0.562 1.00 0.00 H new ATOM 188 N GLN A 11 0.148 -8.087 -5.886 1.00 0.00 N ATOM 189 CA GLN A 11 0.880 -9.348 -5.869 1.00 0.00 C ATOM 190 C GLN A 11 2.140 -9.265 -6.726 1.00 0.00 C ATOM 191 O GLN A 11 3.128 -9.949 -6.461 1.00 0.00 O ATOM 192 CB GLN A 11 -0.014 -10.485 -6.369 1.00 0.00 C ATOM 193 CG GLN A 11 -1.142 -10.839 -5.412 1.00 0.00 C ATOM 194 CD GLN A 11 -0.645 -11.136 -4.009 1.00 0.00 C ATOM 195 OE1 GLN A 11 0.113 -12.082 -3.794 1.00 0.00 O ATOM 196 NE2 GLN A 11 -1.071 -10.325 -3.047 1.00 0.00 N ATOM 0 H GLN A 11 -0.738 -8.119 -6.391 1.00 0.00 H new ATOM 0 HA GLN A 11 1.178 -9.549 -4.840 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.441 -10.204 -7.332 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.599 -11.370 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.854 -10.014 -5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.679 -11.707 -5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.699 -9.553 -3.271 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.770 -10.474 -2.084 1.00 0.00 H new ATOM 205 N LYS A 12 2.099 -8.424 -7.757 1.00 0.00 N ATOM 206 CA LYS A 12 3.242 -8.262 -8.650 1.00 0.00 C ATOM 207 C LYS A 12 4.175 -7.155 -8.160 1.00 0.00 C ATOM 208 O LYS A 12 5.371 -7.376 -7.997 1.00 0.00 O ATOM 209 CB LYS A 12 2.769 -7.964 -10.077 1.00 0.00 C ATOM 210 CG LYS A 12 1.951 -6.690 -10.204 1.00 0.00 C ATOM 211 CD LYS A 12 1.292 -6.584 -11.570 1.00 0.00 C ATOM 212 CE LYS A 12 1.043 -5.135 -11.957 1.00 0.00 C ATOM 213 NZ LYS A 12 -0.013 -5.014 -13.000 1.00 0.00 N ATOM 0 H LYS A 12 1.291 -7.848 -7.993 1.00 0.00 H new ATOM 0 HA LYS A 12 3.800 -9.198 -8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.639 -7.891 -10.729 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.172 -8.804 -10.434 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.186 -6.669 -9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.595 -5.826 -10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.926 -7.058 -12.319 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.347 -7.127 -11.563 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.748 -4.569 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.969 -4.693 -12.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.154 -4.011 -13.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.280 -5.533 -13.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.904 -5.413 -12.640 1.00 0.00 H new ATOM 227 N ASP A 13 3.621 -5.970 -7.924 1.00 0.00 N ATOM 228 CA ASP A 13 4.405 -4.833 -7.450 1.00 0.00 C ATOM 229 C ASP A 13 5.192 -5.193 -6.195 1.00 0.00 C ATOM 230 O ASP A 13 6.233 -4.603 -5.908 1.00 0.00 O ATOM 231 CB ASP A 13 3.489 -3.639 -7.169 1.00 0.00 C ATOM 232 CG ASP A 13 2.858 -3.081 -8.431 1.00 0.00 C ATOM 233 OD1 ASP A 13 3.006 -3.712 -9.499 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.217 -2.012 -8.350 1.00 0.00 O ATOM 0 H ASP A 13 2.629 -5.771 -8.054 1.00 0.00 H new ATOM 0 HA ASP A 13 5.115 -4.564 -8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.703 -3.943 -6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.062 -2.854 -6.675 1.00 0.00 H new ATOM 239 N PHE A 14 4.691 -6.177 -5.457 1.00 0.00 N ATOM 240 CA PHE A 14 5.339 -6.638 -4.243 1.00 0.00 C ATOM 241 C PHE A 14 6.696 -7.237 -4.581 1.00 0.00 C ATOM 242 O PHE A 14 7.736 -6.647 -4.297 1.00 0.00 O ATOM 243 CB PHE A 14 4.449 -7.673 -3.546 1.00 0.00 C ATOM 244 CG PHE A 14 5.103 -8.368 -2.385 1.00 0.00 C ATOM 245 CD1 PHE A 14 5.447 -7.666 -1.243 1.00 0.00 C ATOM 246 CD2 PHE A 14 5.365 -9.728 -2.437 1.00 0.00 C ATOM 247 CE1 PHE A 14 6.040 -8.306 -0.172 1.00 0.00 C ATOM 248 CE2 PHE A 14 5.959 -10.374 -1.370 1.00 0.00 C ATOM 249 CZ PHE A 14 6.297 -9.663 -0.237 1.00 0.00 C ATOM 0 H PHE A 14 3.829 -6.673 -5.685 1.00 0.00 H new ATOM 0 HA PHE A 14 5.490 -5.797 -3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.543 -7.179 -3.195 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.141 -8.421 -4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.250 -6.606 -1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.102 -10.289 -3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.302 -7.747 0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.158 -11.434 -1.423 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.762 -10.166 0.598 1.00 0.00 H new ATOM 259 N ASP A 15 6.677 -8.404 -5.211 1.00 0.00 N ATOM 260 CA ASP A 15 7.907 -9.071 -5.606 1.00 0.00 C ATOM 261 C ASP A 15 8.611 -8.282 -6.709 1.00 0.00 C ATOM 262 O ASP A 15 9.830 -8.362 -6.857 1.00 0.00 O ATOM 263 CB ASP A 15 7.614 -10.493 -6.088 1.00 0.00 C ATOM 264 CG ASP A 15 7.692 -11.509 -4.967 1.00 0.00 C ATOM 265 OD1 ASP A 15 7.151 -11.234 -3.875 1.00 0.00 O ATOM 266 OD2 ASP A 15 8.296 -12.583 -5.180 1.00 0.00 O ATOM 0 H ASP A 15 5.824 -8.906 -5.458 1.00 0.00 H new ATOM 0 HA ASP A 15 8.562 -9.123 -4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.621 -10.525 -6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.324 -10.763 -6.870 1.00 0.00 H new ATOM 271 N LYS A 16 7.836 -7.518 -7.480 1.00 0.00 N ATOM 272 CA LYS A 16 8.397 -6.717 -8.561 1.00 0.00 C ATOM 273 C LYS A 16 9.218 -5.562 -8.004 1.00 0.00 C ATOM 274 O LYS A 16 10.201 -5.138 -8.611 1.00 0.00 O ATOM 275 CB LYS A 16 7.289 -6.179 -9.469 1.00 0.00 C ATOM 276 CG LYS A 16 7.810 -5.536 -10.745 1.00 0.00 C ATOM 277 CD LYS A 16 7.103 -6.080 -11.977 1.00 0.00 C ATOM 278 CE LYS A 16 7.399 -7.557 -12.185 1.00 0.00 C ATOM 279 NZ LYS A 16 8.800 -7.787 -12.632 1.00 0.00 N ATOM 0 H LYS A 16 6.825 -7.439 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 16 9.050 -7.360 -9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.616 -6.996 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.701 -5.447 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.670 -4.456 -10.692 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.882 -5.715 -10.832 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.028 -5.935 -11.874 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.418 -5.518 -12.856 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.222 -8.097 -11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.711 -7.964 -12.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.926 -8.790 -12.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.999 -7.200 -13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.455 -7.532 -11.866 1.00 0.00 H new ATOM 293 N LEU A 17 8.822 -5.067 -6.834 1.00 0.00 N ATOM 294 CA LEU A 17 9.536 -3.979 -6.194 1.00 0.00 C ATOM 295 C LEU A 17 10.608 -4.553 -5.287 1.00 0.00 C ATOM 296 O LEU A 17 11.727 -4.042 -5.222 1.00 0.00 O ATOM 297 CB LEU A 17 8.572 -3.108 -5.383 1.00 0.00 C ATOM 298 CG LEU A 17 9.239 -2.097 -4.453 1.00 0.00 C ATOM 299 CD1 LEU A 17 9.969 -1.030 -5.255 1.00 0.00 C ATOM 300 CD2 LEU A 17 8.211 -1.463 -3.528 1.00 0.00 C ATOM 0 H LEU A 17 8.011 -5.405 -6.315 1.00 0.00 H new ATOM 0 HA LEU A 17 9.999 -3.355 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.924 -2.570 -6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.932 -3.759 -4.788 1.00 0.00 H new ATOM 0 HG LEU A 17 9.971 -2.625 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.437 -0.320 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.735 -1.499 -5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.259 -0.506 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.705 -0.745 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.454 -0.951 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.737 -2.238 -2.926 1.00 0.00 H new ATOM 312 N LEU A 18 10.252 -5.630 -4.595 1.00 0.00 N ATOM 313 CA LEU A 18 11.171 -6.300 -3.685 1.00 0.00 C ATOM 314 C LEU A 18 12.479 -6.654 -4.390 1.00 0.00 C ATOM 315 O LEU A 18 13.555 -6.596 -3.795 1.00 0.00 O ATOM 316 CB LEU A 18 10.521 -7.566 -3.127 1.00 0.00 C ATOM 317 CG LEU A 18 9.694 -7.384 -1.849 1.00 0.00 C ATOM 318 CD1 LEU A 18 8.834 -6.124 -1.907 1.00 0.00 C ATOM 319 CD2 LEU A 18 8.824 -8.606 -1.611 1.00 0.00 C ATOM 0 H LEU A 18 9.328 -6.059 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 18 11.398 -5.618 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.877 -7.990 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.305 -8.297 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 18 10.389 -7.270 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.263 -6.030 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.475 -5.251 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.149 -6.190 -2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.241 -8.466 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.150 -8.743 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.456 -9.488 -1.505 1.00 0.00 H new ATOM 331 N LEU A 19 12.375 -7.026 -5.662 1.00 0.00 N ATOM 332 CA LEU A 19 13.547 -7.395 -6.453 1.00 0.00 C ATOM 333 C LEU A 19 14.147 -6.182 -7.167 1.00 0.00 C ATOM 334 O LEU A 19 15.235 -6.266 -7.733 1.00 0.00 O ATOM 335 CB LEU A 19 13.174 -8.466 -7.479 1.00 0.00 C ATOM 336 CG LEU A 19 12.159 -8.025 -8.536 1.00 0.00 C ATOM 337 CD1 LEU A 19 12.851 -7.259 -9.652 1.00 0.00 C ATOM 338 CD2 LEU A 19 11.414 -9.228 -9.093 1.00 0.00 C ATOM 0 H LEU A 19 11.491 -7.080 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 19 14.297 -7.791 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 19 14.082 -8.795 -7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.772 -9.330 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 19 11.434 -7.362 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.114 -6.953 -10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.338 -6.376 -9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.598 -7.898 -10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.696 -8.896 -9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.125 -9.916 -9.550 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.886 -9.735 -8.285 1.00 0.00 H new ATOM 350 N ASN A 20 13.432 -5.059 -7.141 1.00 0.00 N ATOM 351 CA ASN A 20 13.902 -3.840 -7.794 1.00 0.00 C ATOM 352 C ASN A 20 14.664 -2.948 -6.816 1.00 0.00 C ATOM 353 O ASN A 20 14.562 -1.722 -6.874 1.00 0.00 O ATOM 354 CB ASN A 20 12.723 -3.069 -8.391 1.00 0.00 C ATOM 355 CG ASN A 20 13.129 -2.219 -9.579 1.00 0.00 C ATOM 356 OD1 ASN A 20 12.723 -2.479 -10.712 1.00 0.00 O ATOM 357 ND2 ASN A 20 13.938 -1.196 -9.327 1.00 0.00 N ATOM 0 H ASN A 20 12.528 -4.968 -6.677 1.00 0.00 H new ATOM 0 HA ASN A 20 14.583 -4.131 -8.594 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.951 -3.774 -8.699 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.284 -2.431 -7.624 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.246 -0.590 -10.088 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.251 -1.016 -8.373 1.00 0.00 H new ATOM 364 N GLY A 21 15.429 -3.567 -5.923 1.00 0.00 N ATOM 365 CA GLY A 21 16.196 -2.809 -4.953 1.00 0.00 C ATOM 366 C GLY A 21 15.412 -2.504 -3.691 1.00 0.00 C ATOM 367 O GLY A 21 15.727 -1.557 -2.971 1.00 0.00 O ATOM 0 H GLY A 21 15.531 -4.580 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 21 17.094 -3.368 -4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.523 -1.874 -5.407 1.00 0.00 H new ATOM 371 N PHE A 22 14.391 -3.310 -3.419 1.00 0.00 N ATOM 372 CA PHE A 22 13.566 -3.122 -2.232 1.00 0.00 C ATOM 373 C PHE A 22 13.681 -4.321 -1.298 1.00 0.00 C ATOM 374 O PHE A 22 13.230 -5.420 -1.623 1.00 0.00 O ATOM 375 CB PHE A 22 12.103 -2.904 -2.625 1.00 0.00 C ATOM 376 CG PHE A 22 11.203 -2.639 -1.454 1.00 0.00 C ATOM 377 CD1 PHE A 22 10.739 -3.684 -0.675 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.823 -1.347 -1.134 1.00 0.00 C ATOM 379 CE1 PHE A 22 9.912 -3.447 0.406 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.996 -1.102 -0.054 1.00 0.00 C ATOM 381 CZ PHE A 22 9.540 -2.153 0.716 1.00 0.00 C ATOM 0 H PHE A 22 14.116 -4.099 -4.004 1.00 0.00 H new ATOM 0 HA PHE A 22 13.926 -2.237 -1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 22 12.042 -2.064 -3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.743 -3.784 -3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.027 -4.697 -0.915 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.176 -0.522 -1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.557 -4.271 1.007 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.707 -0.090 0.187 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.893 -1.964 1.560 1.00 0.00 H new ATOM 391 N ASP A 23 14.291 -4.105 -0.137 1.00 0.00 N ATOM 392 CA ASP A 23 14.468 -5.169 0.844 1.00 0.00 C ATOM 393 C ASP A 23 13.127 -5.773 1.246 1.00 0.00 C ATOM 394 O ASP A 23 12.112 -5.078 1.299 1.00 0.00 O ATOM 395 CB ASP A 23 15.191 -4.633 2.082 1.00 0.00 C ATOM 396 CG ASP A 23 16.126 -5.659 2.692 1.00 0.00 C ATOM 397 OD1 ASP A 23 16.659 -6.501 1.938 1.00 0.00 O ATOM 398 OD2 ASP A 23 16.327 -5.620 3.924 1.00 0.00 O ATOM 0 H ASP A 23 14.671 -3.202 0.147 1.00 0.00 H new ATOM 0 HA ASP A 23 15.073 -5.952 0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.759 -3.743 1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.455 -4.328 2.826 1.00 0.00 H new ATOM 403 N ASP A 24 13.129 -7.070 1.529 1.00 0.00 N ATOM 404 CA ASP A 24 11.913 -7.770 1.928 1.00 0.00 C ATOM 405 C ASP A 24 11.681 -7.659 3.435 1.00 0.00 C ATOM 406 O ASP A 24 10.609 -8.002 3.933 1.00 0.00 O ATOM 407 CB ASP A 24 11.993 -9.243 1.524 1.00 0.00 C ATOM 408 CG ASP A 24 13.147 -9.965 2.193 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.246 -9.378 2.276 1.00 0.00 O ATOM 410 OD2 ASP A 24 12.951 -11.116 2.635 1.00 0.00 O ATOM 0 H ASP A 24 13.960 -7.660 1.490 1.00 0.00 H new ATOM 0 HA ASP A 24 11.073 -7.300 1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.058 -9.739 1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.102 -9.315 0.442 1.00 0.00 H new ATOM 415 N SER A 25 12.687 -7.178 4.161 1.00 0.00 N ATOM 416 CA SER A 25 12.579 -7.030 5.609 1.00 0.00 C ATOM 417 C SER A 25 11.780 -5.782 5.973 1.00 0.00 C ATOM 418 O SER A 25 11.158 -5.721 7.034 1.00 0.00 O ATOM 419 CB SER A 25 13.970 -6.963 6.241 1.00 0.00 C ATOM 420 OG SER A 25 13.906 -7.177 7.639 1.00 0.00 O ATOM 0 H SER A 25 13.583 -6.885 3.772 1.00 0.00 H new ATOM 0 HA SER A 25 12.052 -7.901 5.999 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.617 -7.712 5.785 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.418 -5.990 6.039 1.00 0.00 H new ATOM 0 HG SER A 25 14.808 -7.131 8.019 1.00 0.00 H new ATOM 426 N VAL A 26 11.802 -4.788 5.090 1.00 0.00 N ATOM 427 CA VAL A 26 11.081 -3.542 5.323 1.00 0.00 C ATOM 428 C VAL A 26 9.597 -3.690 4.997 1.00 0.00 C ATOM 429 O VAL A 26 8.755 -2.987 5.559 1.00 0.00 O ATOM 430 CB VAL A 26 11.671 -2.388 4.485 1.00 0.00 C ATOM 431 CG1 VAL A 26 11.570 -2.696 3.000 1.00 0.00 C ATOM 432 CG2 VAL A 26 10.978 -1.075 4.816 1.00 0.00 C ATOM 0 H VAL A 26 12.311 -4.822 4.207 1.00 0.00 H new ATOM 0 HA VAL A 26 11.191 -3.307 6.382 1.00 0.00 H new ATOM 0 HB VAL A 26 12.726 -2.286 4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.992 -1.870 2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.122 -3.609 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.523 -2.830 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.409 -0.275 4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.913 -1.160 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.114 -0.848 5.873 1.00 0.00 H new ATOM 442 N LEU A 27 9.279 -4.604 4.083 1.00 0.00 N ATOM 443 CA LEU A 27 7.896 -4.834 3.685 1.00 0.00 C ATOM 444 C LEU A 27 7.040 -5.244 4.882 1.00 0.00 C ATOM 445 O LEU A 27 5.886 -4.834 5.001 1.00 0.00 O ATOM 446 CB LEU A 27 7.832 -5.909 2.592 1.00 0.00 C ATOM 447 CG LEU A 27 7.897 -7.358 3.085 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.503 -7.875 3.405 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.571 -8.243 2.047 1.00 0.00 C ATOM 0 H LEU A 27 9.960 -5.195 3.606 1.00 0.00 H new ATOM 0 HA LEU A 27 7.497 -3.900 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.907 -5.776 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.654 -5.744 1.896 1.00 0.00 H new ATOM 0 HG LEU A 27 8.491 -7.386 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.568 -8.906 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.055 -7.256 4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.885 -7.834 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.609 -9.269 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.003 -8.210 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.584 -7.885 1.866 1.00 0.00 H new ATOM 461 N ASN A 28 7.614 -6.055 5.765 1.00 0.00 N ATOM 462 CA ASN A 28 6.905 -6.522 6.951 1.00 0.00 C ATOM 463 C ASN A 28 6.456 -5.351 7.822 1.00 0.00 C ATOM 464 O ASN A 28 5.509 -5.474 8.599 1.00 0.00 O ATOM 465 CB ASN A 28 7.795 -7.464 7.763 1.00 0.00 C ATOM 466 CG ASN A 28 7.008 -8.581 8.418 1.00 0.00 C ATOM 467 OD1 ASN A 28 5.988 -9.029 7.893 1.00 0.00 O ATOM 468 ND2 ASN A 28 7.477 -9.038 9.573 1.00 0.00 N ATOM 0 H ASN A 28 8.569 -6.403 5.681 1.00 0.00 H new ATOM 0 HA ASN A 28 6.018 -7.062 6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.555 -7.893 7.111 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.318 -6.894 8.530 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.988 -9.789 10.061 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.326 -8.638 9.973 1.00 0.00 H new ATOM 475 N GLU A 29 7.143 -4.220 7.692 1.00 0.00 N ATOM 476 CA GLU A 29 6.813 -3.034 8.473 1.00 0.00 C ATOM 477 C GLU A 29 5.625 -2.290 7.869 1.00 0.00 C ATOM 478 O GLU A 29 4.712 -1.878 8.583 1.00 0.00 O ATOM 479 CB GLU A 29 8.023 -2.103 8.559 1.00 0.00 C ATOM 480 CG GLU A 29 9.175 -2.675 9.371 1.00 0.00 C ATOM 481 CD GLU A 29 9.680 -1.713 10.427 1.00 0.00 C ATOM 482 OE1 GLU A 29 8.876 -0.896 10.920 1.00 0.00 O ATOM 483 OE2 GLU A 29 10.882 -1.777 10.763 1.00 0.00 O ATOM 0 H GLU A 29 7.930 -4.101 7.054 1.00 0.00 H new ATOM 0 HA GLU A 29 6.539 -3.358 9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.374 -1.883 7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.712 -1.157 9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.852 -3.599 9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.994 -2.934 8.700 1.00 0.00 H new ATOM 490 N VAL A 30 5.646 -2.115 6.552 1.00 0.00 N ATOM 491 CA VAL A 30 4.572 -1.415 5.859 1.00 0.00 C ATOM 492 C VAL A 30 3.345 -2.306 5.687 1.00 0.00 C ATOM 493 O VAL A 30 2.225 -1.894 5.989 1.00 0.00 O ATOM 494 CB VAL A 30 5.031 -0.903 4.477 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.425 -2.060 3.573 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.942 -0.059 3.829 1.00 0.00 C ATOM 0 H VAL A 30 6.394 -2.448 5.944 1.00 0.00 H new ATOM 0 HA VAL A 30 4.303 -0.561 6.480 1.00 0.00 H new ATOM 0 HB VAL A 30 5.910 -0.275 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.745 -1.673 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.244 -2.616 4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.570 -2.721 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.285 0.292 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.043 -0.661 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.718 0.797 4.466 1.00 0.00 H new ATOM 506 N ILE A 31 3.558 -3.530 5.208 1.00 0.00 N ATOM 507 CA ILE A 31 2.459 -4.468 5.012 1.00 0.00 C ATOM 508 C ILE A 31 1.707 -4.689 6.322 1.00 0.00 C ATOM 509 O ILE A 31 0.504 -4.952 6.324 1.00 0.00 O ATOM 510 CB ILE A 31 2.966 -5.820 4.446 1.00 0.00 C ATOM 511 CG1 ILE A 31 2.871 -5.823 2.916 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.184 -6.995 5.023 1.00 0.00 C ATOM 513 CD1 ILE A 31 3.463 -4.592 2.262 1.00 0.00 C ATOM 0 H ILE A 31 4.476 -3.892 4.950 1.00 0.00 H new ATOM 0 HA ILE A 31 1.775 -4.034 4.282 1.00 0.00 H new ATOM 0 HB ILE A 31 4.009 -5.935 4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.380 -6.707 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.823 -5.908 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.566 -7.926 4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.298 -7.010 6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.129 -6.889 4.770 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.358 -4.669 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.939 -3.704 2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.520 -4.516 2.519 1.00 0.00 H new ATOM 525 N LEU A 32 2.424 -4.568 7.433 1.00 0.00 N ATOM 526 CA LEU A 32 1.828 -4.740 8.749 1.00 0.00 C ATOM 527 C LEU A 32 0.738 -3.702 8.974 1.00 0.00 C ATOM 528 O LEU A 32 -0.436 -4.037 9.085 1.00 0.00 O ATOM 529 CB LEU A 32 2.906 -4.635 9.837 1.00 0.00 C ATOM 530 CG LEU A 32 2.409 -4.217 11.226 1.00 0.00 C ATOM 531 CD1 LEU A 32 3.115 -5.015 12.310 1.00 0.00 C ATOM 532 CD2 LEU A 32 2.615 -2.723 11.437 1.00 0.00 C ATOM 0 H LEU A 32 3.421 -4.351 7.447 1.00 0.00 H new ATOM 0 HA LEU A 32 1.377 -5.731 8.804 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.403 -5.601 9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.658 -3.918 9.509 1.00 0.00 H new ATOM 0 HG LEU A 32 1.342 -4.429 11.289 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.748 -4.704 13.288 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.915 -6.077 12.169 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.189 -4.837 12.252 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.257 -2.443 12.428 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.676 -2.487 11.354 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.060 -2.169 10.680 1.00 0.00 H new ATOM 544 N THR A 33 1.136 -2.442 9.039 1.00 0.00 N ATOM 545 CA THR A 33 0.194 -1.351 9.257 1.00 0.00 C ATOM 546 C THR A 33 -1.043 -1.476 8.363 1.00 0.00 C ATOM 547 O THR A 33 -2.105 -0.942 8.685 1.00 0.00 O ATOM 548 CB THR A 33 0.884 -0.005 9.017 1.00 0.00 C ATOM 549 OG1 THR A 33 1.997 0.146 9.879 1.00 0.00 O ATOM 550 CG2 THR A 33 -0.027 1.184 9.230 1.00 0.00 C ATOM 0 H THR A 33 2.108 -2.147 8.944 1.00 0.00 H new ATOM 0 HA THR A 33 -0.142 -1.408 10.292 1.00 0.00 H new ATOM 0 HB THR A 33 1.192 -0.021 7.971 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.426 1.011 9.710 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.526 2.104 9.043 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.872 1.123 8.544 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.393 1.183 10.257 1.00 0.00 H new ATOM 558 N LEU A 34 -0.902 -2.172 7.238 1.00 0.00 N ATOM 559 CA LEU A 34 -2.012 -2.347 6.307 1.00 0.00 C ATOM 560 C LEU A 34 -2.844 -3.589 6.636 1.00 0.00 C ATOM 561 O LEU A 34 -4.071 -3.521 6.708 1.00 0.00 O ATOM 562 CB LEU A 34 -1.484 -2.447 4.874 1.00 0.00 C ATOM 563 CG LEU A 34 -0.424 -1.409 4.501 1.00 0.00 C ATOM 564 CD1 LEU A 34 0.528 -1.965 3.451 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.082 -0.129 4.004 1.00 0.00 C ATOM 0 H LEU A 34 -0.033 -2.622 6.950 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.659 -1.475 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.064 -3.442 4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.324 -2.350 4.186 1.00 0.00 H new ATOM 0 HG LEU A 34 0.154 -1.174 5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.274 -1.211 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.026 -2.851 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.033 -2.232 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.313 0.598 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.687 -0.349 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.718 0.281 4.788 1.00 0.00 H new ATOM 577 N ARG A 35 -2.174 -4.723 6.818 1.00 0.00 N ATOM 578 CA ARG A 35 -2.861 -5.981 7.116 1.00 0.00 C ATOM 579 C ARG A 35 -3.186 -6.123 8.605 1.00 0.00 C ATOM 580 O ARG A 35 -4.010 -6.954 8.986 1.00 0.00 O ATOM 581 CB ARG A 35 -2.010 -7.165 6.658 1.00 0.00 C ATOM 582 CG ARG A 35 -1.711 -7.161 5.169 1.00 0.00 C ATOM 583 CD ARG A 35 -1.459 -8.566 4.646 1.00 0.00 C ATOM 584 NE ARG A 35 -0.588 -8.567 3.473 1.00 0.00 N ATOM 585 CZ ARG A 35 -0.268 -9.662 2.788 1.00 0.00 C ATOM 586 NH1 ARG A 35 -0.746 -10.844 3.153 1.00 0.00 N ATOM 587 NH2 ARG A 35 0.532 -9.574 1.734 1.00 0.00 N ATOM 0 H ARG A 35 -1.158 -4.799 6.765 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.805 -5.972 6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.069 -7.160 7.209 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.524 -8.091 6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.548 -6.716 4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.839 -6.537 4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.007 -9.170 5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.410 -9.034 4.391 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.202 -7.676 3.161 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.362 -10.917 3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.497 -11.680 2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.902 -8.667 1.449 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.778 -10.413 1.209 1.00 0.00 H new ATOM 601 N LYS A 36 -2.535 -5.323 9.440 1.00 0.00 N ATOM 602 CA LYS A 36 -2.762 -5.380 10.882 1.00 0.00 C ATOM 603 C LYS A 36 -3.805 -4.356 11.324 1.00 0.00 C ATOM 604 O LYS A 36 -3.882 -4.008 12.502 1.00 0.00 O ATOM 605 CB LYS A 36 -1.454 -5.137 11.633 1.00 0.00 C ATOM 606 CG LYS A 36 -0.979 -6.337 12.433 1.00 0.00 C ATOM 607 CD LYS A 36 -1.009 -6.059 13.927 1.00 0.00 C ATOM 608 CE LYS A 36 0.198 -5.244 14.364 1.00 0.00 C ATOM 609 NZ LYS A 36 0.705 -5.672 15.697 1.00 0.00 N ATOM 0 H LYS A 36 -1.848 -4.629 9.147 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.138 -6.375 11.118 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.680 -4.859 10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.584 -4.290 12.307 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.610 -7.197 12.209 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.035 -6.598 12.131 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.923 -5.522 14.180 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.031 -7.002 14.474 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.992 -5.346 13.624 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.071 -4.188 14.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.528 -5.092 15.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.044 -5.551 16.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.986 -6.673 15.657 1.00 0.00 H new ATOM 623 N LYS A 37 -4.600 -3.878 10.372 1.00 0.00 N ATOM 624 CA LYS A 37 -5.644 -2.893 10.654 1.00 0.00 C ATOM 625 C LYS A 37 -5.122 -1.771 11.550 1.00 0.00 C ATOM 626 O LYS A 37 -5.753 -1.410 12.543 1.00 0.00 O ATOM 627 CB LYS A 37 -6.853 -3.569 11.309 1.00 0.00 C ATOM 628 CG LYS A 37 -6.522 -4.311 12.594 1.00 0.00 C ATOM 629 CD LYS A 37 -7.780 -4.775 13.309 1.00 0.00 C ATOM 630 CE LYS A 37 -8.307 -6.077 12.729 1.00 0.00 C ATOM 631 NZ LYS A 37 -8.315 -7.172 13.738 1.00 0.00 N ATOM 0 H LYS A 37 -4.542 -4.157 9.393 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.952 -2.454 9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.609 -2.813 11.522 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.294 -4.269 10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.893 -5.172 12.367 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.947 -3.661 13.253 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.568 -4.908 14.370 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.548 -4.005 13.232 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.318 -5.923 12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.691 -6.371 11.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.681 -8.043 13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.347 -7.337 14.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.923 -6.903 14.538 1.00 0.00 H new ATOM 645 N GLU A 38 -3.967 -1.224 11.188 1.00 0.00 N ATOM 646 CA GLU A 38 -3.360 -0.142 11.955 1.00 0.00 C ATOM 647 C GLU A 38 -3.825 1.219 11.435 1.00 0.00 C ATOM 648 O GLU A 38 -3.894 1.436 10.225 1.00 0.00 O ATOM 649 CB GLU A 38 -1.834 -0.235 11.882 1.00 0.00 C ATOM 650 CG GLU A 38 -1.121 0.679 12.865 1.00 0.00 C ATOM 651 CD GLU A 38 -1.129 0.136 14.279 1.00 0.00 C ATOM 652 OE1 GLU A 38 -2.185 -0.364 14.717 1.00 0.00 O ATOM 653 OE2 GLU A 38 -0.077 0.212 14.949 1.00 0.00 O ATOM 0 H GLU A 38 -3.432 -1.512 10.369 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.675 -0.241 12.994 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.532 -1.265 12.071 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.511 0.011 10.870 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.090 0.821 12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.597 1.660 12.854 1.00 0.00 H new ATOM 660 N PRO A 39 -4.153 2.156 12.343 1.00 0.00 N ATOM 661 CA PRO A 39 -4.613 3.495 11.961 1.00 0.00 C ATOM 662 C PRO A 39 -3.510 4.321 11.308 1.00 0.00 C ATOM 663 O PRO A 39 -2.367 4.324 11.767 1.00 0.00 O ATOM 664 CB PRO A 39 -5.035 4.123 13.291 1.00 0.00 C ATOM 665 CG PRO A 39 -4.250 3.390 14.322 1.00 0.00 C ATOM 666 CD PRO A 39 -4.103 1.986 13.807 1.00 0.00 C ATOM 0 HA PRO A 39 -5.414 3.454 11.223 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.816 5.191 13.312 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.107 4.014 13.458 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.276 3.854 14.474 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.762 3.401 15.284 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.164 1.536 14.128 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.905 1.340 14.165 1.00 0.00 H new ATOM 674 N LEU A 40 -3.859 5.024 10.235 1.00 0.00 N ATOM 675 CA LEU A 40 -2.899 5.857 9.519 1.00 0.00 C ATOM 676 C LEU A 40 -2.985 7.307 9.982 1.00 0.00 C ATOM 677 O LEU A 40 -4.054 7.786 10.361 1.00 0.00 O ATOM 678 CB LEU A 40 -3.143 5.774 8.012 1.00 0.00 C ATOM 679 CG LEU A 40 -3.319 4.360 7.459 1.00 0.00 C ATOM 680 CD1 LEU A 40 -4.288 4.360 6.288 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.974 3.782 7.040 1.00 0.00 C ATOM 0 H LEU A 40 -4.800 5.033 9.842 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.898 5.484 9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.034 6.355 7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.306 6.247 7.498 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.735 3.732 8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.400 3.344 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.258 4.733 6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.902 5.003 5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.117 2.775 6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.532 4.412 6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.309 3.745 7.903 1.00 0.00 H new ATOM 693 N ASP A 41 -1.851 8.001 9.950 1.00 0.00 N ATOM 694 CA ASP A 41 -1.798 9.397 10.366 1.00 0.00 C ATOM 695 C ASP A 41 -1.959 10.330 9.167 1.00 0.00 C ATOM 696 O ASP A 41 -1.820 9.907 8.019 1.00 0.00 O ATOM 697 CB ASP A 41 -0.476 9.687 11.077 1.00 0.00 C ATOM 698 CG ASP A 41 -0.584 9.540 12.583 1.00 0.00 C ATOM 699 OD1 ASP A 41 -0.756 8.396 13.056 1.00 0.00 O ATOM 700 OD2 ASP A 41 -0.497 10.566 13.288 1.00 0.00 O ATOM 0 H ASP A 41 -0.957 7.619 9.640 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.622 9.576 11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.291 9.009 10.703 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.152 10.699 10.836 1.00 0.00 H new ATOM 705 N PRO A 42 -2.258 11.616 9.418 1.00 0.00 N ATOM 706 CA PRO A 42 -2.437 12.608 8.352 1.00 0.00 C ATOM 707 C PRO A 42 -1.142 12.884 7.597 1.00 0.00 C ATOM 708 O PRO A 42 -1.161 13.217 6.412 1.00 0.00 O ATOM 709 CB PRO A 42 -2.898 13.862 9.100 1.00 0.00 C ATOM 710 CG PRO A 42 -2.401 13.682 10.493 1.00 0.00 C ATOM 711 CD PRO A 42 -2.442 12.204 10.758 1.00 0.00 C ATOM 0 HA PRO A 42 -3.143 12.267 7.594 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.488 14.765 8.648 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.983 13.959 9.077 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.388 14.070 10.599 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.026 14.224 11.203 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.653 11.896 11.445 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.389 11.901 11.204 1.00 0.00 H new ATOM 719 N GLN A 43 -0.017 12.742 8.291 1.00 0.00 N ATOM 720 CA GLN A 43 1.291 12.975 7.685 1.00 0.00 C ATOM 721 C GLN A 43 1.570 11.965 6.574 1.00 0.00 C ATOM 722 O GLN A 43 2.424 12.193 5.719 1.00 0.00 O ATOM 723 CB GLN A 43 2.388 12.898 8.748 1.00 0.00 C ATOM 724 CG GLN A 43 2.285 11.674 9.642 1.00 0.00 C ATOM 725 CD GLN A 43 3.574 10.876 9.692 1.00 0.00 C ATOM 726 OE1 GLN A 43 4.170 10.704 10.755 1.00 0.00 O ATOM 727 NE2 GLN A 43 4.010 10.384 8.538 1.00 0.00 N ATOM 0 H GLN A 43 0.016 12.467 9.273 1.00 0.00 H new ATOM 0 HA GLN A 43 1.286 13.973 7.247 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.360 12.897 8.255 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.346 13.794 9.367 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.017 11.988 10.651 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.480 11.033 9.283 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.483 10.551 7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.871 9.839 8.509 1.00 0.00 H new ATOM 736 N PHE A 44 0.848 10.847 6.594 1.00 0.00 N ATOM 737 CA PHE A 44 1.023 9.806 5.588 1.00 0.00 C ATOM 738 C PHE A 44 0.678 10.322 4.192 1.00 0.00 C ATOM 739 O PHE A 44 1.062 9.722 3.188 1.00 0.00 O ATOM 740 CB PHE A 44 0.153 8.593 5.923 1.00 0.00 C ATOM 741 CG PHE A 44 0.739 7.709 6.988 1.00 0.00 C ATOM 742 CD1 PHE A 44 1.171 8.244 8.191 1.00 0.00 C ATOM 743 CD2 PHE A 44 0.857 6.344 6.785 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.708 7.433 9.172 1.00 0.00 C ATOM 745 CE2 PHE A 44 1.394 5.528 7.762 1.00 0.00 C ATOM 746 CZ PHE A 44 1.821 6.073 8.957 1.00 0.00 C ATOM 0 H PHE A 44 0.137 10.640 7.296 1.00 0.00 H new ATOM 0 HA PHE A 44 2.072 9.509 5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.828 8.939 6.249 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.000 8.005 5.018 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.087 9.307 8.364 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.525 5.912 5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.039 7.862 10.106 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.480 4.465 7.591 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.242 5.437 9.722 1.00 0.00 H new ATOM 756 N GLN A 45 -0.049 11.436 4.131 1.00 0.00 N ATOM 757 CA GLN A 45 -0.444 12.024 2.855 1.00 0.00 C ATOM 758 C GLN A 45 -1.421 11.114 2.116 1.00 0.00 C ATOM 759 O GLN A 45 -1.356 10.977 0.895 1.00 0.00 O ATOM 760 CB GLN A 45 0.786 12.285 1.981 1.00 0.00 C ATOM 761 CG GLN A 45 1.919 12.979 2.718 1.00 0.00 C ATOM 762 CD GLN A 45 1.490 14.288 3.351 1.00 0.00 C ATOM 763 OE1 GLN A 45 0.837 15.113 2.715 1.00 0.00 O ATOM 764 NE2 GLN A 45 1.856 14.483 4.612 1.00 0.00 N ATOM 0 H GLN A 45 -0.376 11.948 4.950 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.940 12.972 3.062 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.148 11.336 1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.492 12.895 1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.304 12.315 3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.737 13.167 2.023 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.398 13.771 5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.595 15.345 5.091 1.00 0.00 H new ATOM 773 N ASP A 46 -2.326 10.494 2.867 1.00 0.00 N ATOM 774 CA ASP A 46 -3.317 9.597 2.283 1.00 0.00 C ATOM 775 C ASP A 46 -4.431 10.386 1.603 1.00 0.00 C ATOM 776 O ASP A 46 -5.101 11.205 2.234 1.00 0.00 O ATOM 777 CB ASP A 46 -3.907 8.686 3.361 1.00 0.00 C ATOM 778 CG ASP A 46 -4.466 9.464 4.535 1.00 0.00 C ATOM 779 OD1 ASP A 46 -3.693 9.763 5.470 1.00 0.00 O ATOM 780 OD2 ASP A 46 -5.675 9.776 4.520 1.00 0.00 O ATOM 0 H ASP A 46 -2.394 10.596 3.880 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.819 8.985 1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.697 8.076 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.136 8.002 3.716 1.00 0.00 H new ATOM 785 N HIS A 47 -4.623 10.135 0.311 1.00 0.00 N ATOM 786 CA HIS A 47 -5.656 10.822 -0.455 1.00 0.00 C ATOM 787 C HIS A 47 -5.864 10.152 -1.811 1.00 0.00 C ATOM 788 O HIS A 47 -5.227 9.145 -2.118 1.00 0.00 O ATOM 789 CB HIS A 47 -5.283 12.292 -0.653 1.00 0.00 C ATOM 790 CG HIS A 47 -3.906 12.491 -1.209 1.00 0.00 C ATOM 791 ND1 HIS A 47 -3.525 12.040 -2.455 1.00 0.00 N ATOM 792 CD2 HIS A 47 -2.816 13.098 -0.681 1.00 0.00 C ATOM 793 CE1 HIS A 47 -2.261 12.360 -2.669 1.00 0.00 C ATOM 794 NE2 HIS A 47 -1.809 13.003 -1.608 1.00 0.00 N ATOM 0 H HIS A 47 -4.077 9.461 -0.226 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.588 10.764 0.107 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -6.007 12.755 -1.323 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.358 12.809 0.303 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.752 13.569 0.289 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.694 12.134 -3.560 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.864 13.370 -1.496 1.00 0.00 H new ATOM 803 N ALA A 48 -6.757 10.718 -2.614 1.00 0.00 N ATOM 804 CA ALA A 48 -7.048 10.174 -3.935 1.00 0.00 C ATOM 805 C ALA A 48 -5.989 10.597 -4.946 1.00 0.00 C ATOM 806 O ALA A 48 -5.593 11.762 -4.998 1.00 0.00 O ATOM 807 CB ALA A 48 -8.428 10.619 -4.397 1.00 0.00 C ATOM 0 H ALA A 48 -7.292 11.553 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.034 9.086 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.632 10.205 -5.385 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.180 10.263 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.462 11.707 -4.445 1.00 0.00 H new ATOM 813 N LEU A 49 -5.533 9.642 -5.751 1.00 0.00 N ATOM 814 CA LEU A 49 -4.520 9.917 -6.765 1.00 0.00 C ATOM 815 C LEU A 49 -5.094 10.770 -7.891 1.00 0.00 C ATOM 816 O LEU A 49 -6.251 11.189 -7.837 1.00 0.00 O ATOM 817 CB LEU A 49 -3.968 8.606 -7.331 1.00 0.00 C ATOM 818 CG LEU A 49 -3.302 7.686 -6.305 1.00 0.00 C ATOM 819 CD1 LEU A 49 -3.920 6.297 -6.345 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.801 7.610 -6.550 1.00 0.00 C ATOM 0 H LEU A 49 -5.848 8.672 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.709 10.471 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.783 8.062 -7.808 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.243 8.841 -8.110 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.469 8.105 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.431 5.660 -5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.984 6.365 -6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.788 5.869 -7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.345 6.952 -5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.615 7.218 -7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.368 8.606 -6.465 1.00 0.00 H new ATOM 832 N LYS A 50 -4.278 11.026 -8.908 1.00 0.00 N ATOM 833 CA LYS A 50 -4.707 11.829 -10.047 1.00 0.00 C ATOM 834 C LYS A 50 -4.788 10.982 -11.312 1.00 0.00 C ATOM 835 O LYS A 50 -4.537 9.777 -11.282 1.00 0.00 O ATOM 836 CB LYS A 50 -3.742 12.998 -10.263 1.00 0.00 C ATOM 837 CG LYS A 50 -2.334 12.566 -10.639 1.00 0.00 C ATOM 838 CD LYS A 50 -1.411 12.555 -9.431 1.00 0.00 C ATOM 839 CE LYS A 50 -0.458 13.739 -9.447 1.00 0.00 C ATOM 840 NZ LYS A 50 0.432 13.753 -8.253 1.00 0.00 N ATOM 0 H LYS A 50 -3.317 10.689 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.701 12.220 -9.831 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.137 13.643 -11.048 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.698 13.595 -9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.364 11.571 -11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.935 13.241 -11.396 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.005 12.577 -8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.840 11.627 -9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.149 13.704 -10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.031 14.666 -9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.066 14.576 -8.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.146 13.812 -7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.998 12.881 -8.232 1.00 0.00 H new ATOM 854 N GLY A 51 -5.137 11.620 -12.424 1.00 0.00 N ATOM 855 CA GLY A 51 -5.244 10.911 -13.686 1.00 0.00 C ATOM 856 C GLY A 51 -6.366 9.891 -13.686 1.00 0.00 C ATOM 857 O GLY A 51 -7.443 10.144 -13.145 1.00 0.00 O ATOM 0 H GLY A 51 -5.348 12.617 -12.474 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.410 11.629 -14.489 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.300 10.408 -13.898 1.00 0.00 H new ATOM 861 N LYS A 52 -6.113 8.737 -14.295 1.00 0.00 N ATOM 862 CA LYS A 52 -7.112 7.674 -14.365 1.00 0.00 C ATOM 863 C LYS A 52 -7.259 6.959 -13.023 1.00 0.00 C ATOM 864 O LYS A 52 -8.152 6.129 -12.851 1.00 0.00 O ATOM 865 CB LYS A 52 -6.734 6.669 -15.454 1.00 0.00 C ATOM 866 CG LYS A 52 -7.330 6.992 -16.814 1.00 0.00 C ATOM 867 CD LYS A 52 -6.380 7.830 -17.654 1.00 0.00 C ATOM 868 CE LYS A 52 -5.650 6.982 -18.682 1.00 0.00 C ATOM 869 NZ LYS A 52 -5.383 7.735 -19.938 1.00 0.00 N ATOM 0 H LYS A 52 -5.226 8.513 -14.747 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.071 8.130 -14.611 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.648 6.633 -15.542 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.063 5.675 -15.149 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.562 6.066 -17.340 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.270 7.528 -16.682 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.938 8.617 -18.161 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.655 8.321 -17.005 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.707 6.634 -18.261 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.244 6.097 -18.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.884 7.120 -20.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.284 8.046 -20.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.795 8.566 -19.726 1.00 0.00 H new ATOM 883 N TRP A 53 -6.383 7.281 -12.074 1.00 0.00 N ATOM 884 CA TRP A 53 -6.429 6.662 -10.753 1.00 0.00 C ATOM 885 C TRP A 53 -7.191 7.542 -9.768 1.00 0.00 C ATOM 886 O TRP A 53 -6.827 7.640 -8.595 1.00 0.00 O ATOM 887 CB TRP A 53 -5.012 6.406 -10.234 1.00 0.00 C ATOM 888 CG TRP A 53 -4.069 5.911 -11.289 1.00 0.00 C ATOM 889 CD1 TRP A 53 -2.770 6.291 -11.472 1.00 0.00 C ATOM 890 CD2 TRP A 53 -4.351 4.946 -12.310 1.00 0.00 C ATOM 891 NE1 TRP A 53 -2.229 5.621 -12.541 1.00 0.00 N ATOM 892 CE2 TRP A 53 -3.179 4.789 -13.074 1.00 0.00 C ATOM 893 CE3 TRP A 53 -5.481 4.196 -12.651 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -3.106 3.917 -14.155 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -5.408 3.331 -13.727 1.00 0.00 C ATOM 896 CH2 TRP A 53 -4.227 3.198 -14.467 1.00 0.00 C ATOM 0 H TRP A 53 -5.636 7.964 -12.195 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.951 5.710 -10.844 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.617 7.329 -9.809 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.056 5.676 -9.426 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.245 7.013 -10.864 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.274 5.725 -12.884 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.395 4.291 -12.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.197 3.811 -14.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.275 2.749 -14.001 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.201 2.513 -15.302 1.00 0.00 H new ATOM 907 N LYS A 54 -8.252 8.181 -10.250 1.00 0.00 N ATOM 908 CA LYS A 54 -9.067 9.053 -9.415 1.00 0.00 C ATOM 909 C LYS A 54 -9.863 8.254 -8.385 1.00 0.00 C ATOM 910 O LYS A 54 -9.843 8.575 -7.198 1.00 0.00 O ATOM 911 CB LYS A 54 -10.015 9.885 -10.281 1.00 0.00 C ATOM 912 CG LYS A 54 -10.057 11.356 -9.898 1.00 0.00 C ATOM 913 CD LYS A 54 -9.405 12.230 -10.958 1.00 0.00 C ATOM 914 CE LYS A 54 -8.937 13.556 -10.376 1.00 0.00 C ATOM 915 NZ LYS A 54 -9.191 14.693 -11.303 1.00 0.00 N ATOM 0 H LYS A 54 -8.567 8.110 -11.217 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.395 9.722 -8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.711 9.798 -11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.020 9.470 -10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.092 11.666 -9.756 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.548 11.499 -8.945 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.556 11.703 -11.394 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.114 12.415 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.449 13.738 -9.431 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.871 13.499 -10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.857 15.577 -10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.682 14.533 -12.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.211 14.764 -11.494 1.00 0.00 H new ATOM 929 N PRO A 55 -10.581 7.202 -8.819 1.00 0.00 N ATOM 930 CA PRO A 55 -11.380 6.376 -7.912 1.00 0.00 C ATOM 931 C PRO A 55 -10.524 5.444 -7.057 1.00 0.00 C ATOM 932 O PRO A 55 -10.773 4.241 -6.997 1.00 0.00 O ATOM 933 CB PRO A 55 -12.268 5.571 -8.860 1.00 0.00 C ATOM 934 CG PRO A 55 -11.484 5.471 -10.122 1.00 0.00 C ATOM 935 CD PRO A 55 -10.676 6.740 -10.218 1.00 0.00 C ATOM 0 HA PRO A 55 -11.934 6.981 -7.194 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.489 4.585 -8.453 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.223 6.069 -9.026 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.834 4.596 -10.108 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.144 5.364 -10.983 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.691 6.556 -10.646 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.166 7.480 -10.851 1.00 0.00 H new ATOM 943 N PHE A 56 -9.518 6.009 -6.392 1.00 0.00 N ATOM 944 CA PHE A 56 -8.635 5.226 -5.535 1.00 0.00 C ATOM 945 C PHE A 56 -8.047 6.094 -4.428 1.00 0.00 C ATOM 946 O PHE A 56 -8.272 7.303 -4.388 1.00 0.00 O ATOM 947 CB PHE A 56 -7.508 4.599 -6.359 1.00 0.00 C ATOM 948 CG PHE A 56 -7.997 3.772 -7.513 1.00 0.00 C ATOM 949 CD1 PHE A 56 -8.602 2.544 -7.296 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.850 4.221 -8.814 1.00 0.00 C ATOM 951 CE1 PHE A 56 -9.053 1.782 -8.355 1.00 0.00 C ATOM 952 CE2 PHE A 56 -8.299 3.462 -9.879 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.901 2.242 -9.650 1.00 0.00 C ATOM 0 H PHE A 56 -9.296 7.004 -6.431 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.225 4.431 -5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.862 5.391 -6.738 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.897 3.974 -5.708 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.722 2.179 -6.287 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.379 5.175 -8.999 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.524 0.828 -8.172 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.179 3.824 -10.889 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.253 1.648 -10.480 1.00 0.00 H new ATOM 963 N ARG A 57 -7.295 5.468 -3.527 1.00 0.00 N ATOM 964 CA ARG A 57 -6.680 6.186 -2.417 1.00 0.00 C ATOM 965 C ARG A 57 -5.234 5.743 -2.216 1.00 0.00 C ATOM 966 O ARG A 57 -4.900 4.573 -2.405 1.00 0.00 O ATOM 967 CB ARG A 57 -7.476 5.963 -1.132 1.00 0.00 C ATOM 968 CG ARG A 57 -7.113 6.929 -0.016 1.00 0.00 C ATOM 969 CD ARG A 57 -8.112 8.070 0.086 1.00 0.00 C ATOM 970 NE ARG A 57 -9.446 7.601 0.460 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.435 7.386 -0.408 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.250 7.585 -1.708 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.614 6.965 0.029 1.00 0.00 N ATOM 0 H ARG A 57 -7.098 4.467 -3.544 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.686 7.249 -2.659 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.539 6.058 -1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.312 4.943 -0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.075 6.392 0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.116 7.333 -0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.762 8.793 0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.166 8.591 -0.870 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.632 7.427 1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.344 7.905 -2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.013 7.417 -2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.762 6.807 1.026 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.373 6.799 -0.632 1.00 0.00 H new ATOM 987 N GLU A 58 -4.382 6.686 -1.831 1.00 0.00 N ATOM 988 CA GLU A 58 -2.971 6.396 -1.602 1.00 0.00 C ATOM 989 C GLU A 58 -2.620 6.551 -0.125 1.00 0.00 C ATOM 990 O GLU A 58 -3.433 7.024 0.670 1.00 0.00 O ATOM 991 CB GLU A 58 -2.095 7.321 -2.449 1.00 0.00 C ATOM 992 CG GLU A 58 -0.917 6.615 -3.101 1.00 0.00 C ATOM 993 CD GLU A 58 0.194 7.571 -3.487 1.00 0.00 C ATOM 994 OE1 GLU A 58 -0.075 8.787 -3.587 1.00 0.00 O ATOM 995 OE2 GLU A 58 1.336 7.105 -3.688 1.00 0.00 O ATOM 0 H GLU A 58 -4.644 7.659 -1.671 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.783 5.363 -1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.709 7.778 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.721 8.129 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.524 5.864 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.262 6.086 -3.990 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.407 6.148 0.237 1.00 0.00 N ATOM 1003 CA CYS A 59 -0.951 6.244 1.618 1.00 0.00 C ATOM 1004 C CYS A 59 0.550 5.990 1.715 1.00 0.00 C ATOM 1005 O CYS A 59 1.014 4.869 1.508 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.707 5.246 2.497 1.00 0.00 C ATOM 1007 SG CYS A 59 -1.616 5.604 4.266 1.00 0.00 S ATOM 0 H CYS A 59 -0.722 5.752 -0.407 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.153 7.255 1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.754 5.231 2.194 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.309 4.247 2.318 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.636 4.933 4.795 1.00 0.00 H new ATOM 1013 N HIS A 60 1.302 7.039 2.031 1.00 0.00 N ATOM 1014 CA HIS A 60 2.751 6.927 2.157 1.00 0.00 C ATOM 1015 C HIS A 60 3.141 6.451 3.550 1.00 0.00 C ATOM 1016 O HIS A 60 3.468 7.253 4.424 1.00 0.00 O ATOM 1017 CB HIS A 60 3.416 8.273 1.861 1.00 0.00 C ATOM 1018 CG HIS A 60 3.090 8.819 0.506 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.859 9.774 -0.125 1.00 0.00 N ATOM 1020 CD2 HIS A 60 2.072 8.538 -0.342 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.328 10.059 -1.300 1.00 0.00 C ATOM 1022 NE2 HIS A 60 2.243 9.320 -1.457 1.00 0.00 N ATOM 0 H HIS A 60 0.934 7.974 2.204 1.00 0.00 H new ATOM 0 HA HIS A 60 3.097 6.191 1.431 1.00 0.00 H new ATOM 0 HB2 HIS A 60 3.108 8.995 2.618 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.497 8.161 1.948 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.706 10.195 0.257 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.274 7.830 -0.172 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.714 10.774 -2.011 1.00 0.00 H new ATOM 1031 N ILE A 61 3.108 5.136 3.751 1.00 0.00 N ATOM 1032 CA ILE A 61 3.464 4.548 5.038 1.00 0.00 C ATOM 1033 C ILE A 61 4.843 5.019 5.493 1.00 0.00 C ATOM 1034 O ILE A 61 5.126 5.083 6.689 1.00 0.00 O ATOM 1035 CB ILE A 61 3.449 3.008 4.975 1.00 0.00 C ATOM 1036 CG1 ILE A 61 2.114 2.511 4.417 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.709 2.415 6.353 1.00 0.00 C ATOM 1038 CD1 ILE A 61 2.161 2.171 2.943 1.00 0.00 C ATOM 0 H ILE A 61 2.838 4.458 3.038 1.00 0.00 H new ATOM 0 HA ILE A 61 2.716 4.879 5.758 1.00 0.00 H new ATOM 0 HB ILE A 61 4.245 2.680 4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.803 1.628 4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.354 3.275 4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.695 1.327 6.289 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.684 2.745 6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.935 2.748 7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.180 1.826 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.441 3.057 2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.896 1.384 2.774 1.00 0.00 H new ATOM 1050 N LYS A 62 5.692 5.352 4.528 1.00 0.00 N ATOM 1051 CA LYS A 62 7.039 5.824 4.817 1.00 0.00 C ATOM 1052 C LYS A 62 7.600 6.594 3.624 1.00 0.00 C ATOM 1053 O LYS A 62 7.008 6.592 2.544 1.00 0.00 O ATOM 1054 CB LYS A 62 7.951 4.641 5.161 1.00 0.00 C ATOM 1055 CG LYS A 62 7.871 3.498 4.165 1.00 0.00 C ATOM 1056 CD LYS A 62 6.982 2.374 4.676 1.00 0.00 C ATOM 1057 CE LYS A 62 7.675 1.565 5.759 1.00 0.00 C ATOM 1058 NZ LYS A 62 8.508 0.471 5.191 1.00 0.00 N ATOM 0 H LYS A 62 5.469 5.303 3.534 1.00 0.00 H new ATOM 0 HA LYS A 62 6.996 6.495 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.981 4.992 5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.689 4.268 6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.483 3.868 3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.872 3.112 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.055 2.792 5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.710 1.719 3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.303 2.224 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.927 1.141 6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.741 -0.213 5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.981 -0.010 4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.386 0.870 4.801 1.00 0.00 H new ATOM 1072 N PRO A 63 8.746 7.276 3.799 1.00 0.00 N ATOM 1073 CA PRO A 63 9.373 8.061 2.729 1.00 0.00 C ATOM 1074 C PRO A 63 9.939 7.200 1.600 1.00 0.00 C ATOM 1075 O PRO A 63 10.584 7.716 0.686 1.00 0.00 O ATOM 1076 CB PRO A 63 10.507 8.817 3.441 1.00 0.00 C ATOM 1077 CG PRO A 63 10.242 8.657 4.902 1.00 0.00 C ATOM 1078 CD PRO A 63 9.514 7.355 5.048 1.00 0.00 C ATOM 0 HA PRO A 63 8.644 8.710 2.244 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.480 8.407 3.172 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.515 9.869 3.157 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.173 8.650 5.469 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.643 9.484 5.283 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.201 6.516 5.155 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.865 7.349 5.924 1.00 0.00 H new ATOM 1086 N ASP A 64 9.702 5.893 1.661 1.00 0.00 N ATOM 1087 CA ASP A 64 10.197 4.983 0.634 1.00 0.00 C ATOM 1088 C ASP A 64 9.151 3.929 0.272 1.00 0.00 C ATOM 1089 O ASP A 64 9.492 2.847 -0.204 1.00 0.00 O ATOM 1090 CB ASP A 64 11.483 4.300 1.109 1.00 0.00 C ATOM 1091 CG ASP A 64 12.708 4.790 0.360 1.00 0.00 C ATOM 1092 OD1 ASP A 64 12.878 6.021 0.241 1.00 0.00 O ATOM 1093 OD2 ASP A 64 13.497 3.942 -0.106 1.00 0.00 O ATOM 0 H ASP A 64 9.173 5.442 2.407 1.00 0.00 H new ATOM 0 HA ASP A 64 10.409 5.571 -0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.615 4.482 2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.388 3.222 0.979 1.00 0.00 H new ATOM 1098 N VAL A 65 7.878 4.250 0.495 1.00 0.00 N ATOM 1099 CA VAL A 65 6.795 3.321 0.181 1.00 0.00 C ATOM 1100 C VAL A 65 5.481 4.053 -0.063 1.00 0.00 C ATOM 1101 O VAL A 65 5.194 5.070 0.569 1.00 0.00 O ATOM 1102 CB VAL A 65 6.586 2.290 1.308 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.529 1.269 0.914 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.895 1.599 1.647 1.00 0.00 C ATOM 0 H VAL A 65 7.573 5.140 0.889 1.00 0.00 H new ATOM 0 HA VAL A 65 7.093 2.802 -0.730 1.00 0.00 H new ATOM 0 HB VAL A 65 6.236 2.819 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.397 0.551 1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.584 1.778 0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.847 0.745 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.728 0.875 2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.275 1.085 0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.623 2.340 1.977 1.00 0.00 H new ATOM 1114 N LEU A 66 4.683 3.513 -0.978 1.00 0.00 N ATOM 1115 CA LEU A 66 3.386 4.094 -1.314 1.00 0.00 C ATOM 1116 C LEU A 66 2.357 2.994 -1.559 1.00 0.00 C ATOM 1117 O LEU A 66 2.408 2.303 -2.576 1.00 0.00 O ATOM 1118 CB LEU A 66 3.497 4.985 -2.553 1.00 0.00 C ATOM 1119 CG LEU A 66 4.723 5.902 -2.592 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.774 6.663 -3.908 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.706 6.869 -1.417 1.00 0.00 C ATOM 0 H LEU A 66 4.912 2.669 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 66 3.060 4.704 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.512 4.349 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.600 5.601 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 66 5.618 5.285 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.651 7.310 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.833 5.956 -4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.874 7.269 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.585 7.512 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.806 7.482 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.715 6.307 -0.483 1.00 0.00 H new ATOM 1133 N LEU A 67 1.431 2.832 -0.620 1.00 0.00 N ATOM 1134 CA LEU A 67 0.399 1.807 -0.738 1.00 0.00 C ATOM 1135 C LEU A 67 -0.917 2.398 -1.231 1.00 0.00 C ATOM 1136 O LEU A 67 -1.377 3.425 -0.730 1.00 0.00 O ATOM 1137 CB LEU A 67 0.183 1.112 0.612 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.954 0.079 0.652 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -2.311 0.765 0.713 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.873 -0.855 -0.548 1.00 0.00 C ATOM 0 H LEU A 67 1.373 3.395 0.229 1.00 0.00 H new ATOM 0 HA LEU A 67 0.740 1.075 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.111 0.616 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.016 1.874 1.365 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.839 -0.517 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.099 0.012 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.367 1.381 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.441 1.394 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.687 -1.579 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.956 -0.275 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.082 -1.381 -0.536 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.529 1.724 -2.197 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.806 2.156 -2.743 1.00 0.00 C ATOM 1154 C VAL A 68 -3.889 1.149 -2.385 1.00 0.00 C ATOM 1155 O VAL A 68 -3.796 -0.028 -2.735 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.745 2.324 -4.275 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -4.110 2.694 -4.838 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.711 3.374 -4.644 1.00 0.00 C ATOM 0 H VAL A 68 -1.158 0.873 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.041 3.127 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.450 1.371 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.039 2.806 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.827 1.908 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.443 3.633 -4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.676 3.485 -5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.982 4.327 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.732 3.064 -4.279 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.904 1.608 -1.666 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.991 0.732 -1.244 1.00 0.00 C ATOM 1170 C TYR A 69 -7.353 1.368 -1.513 1.00 0.00 C ATOM 1171 O TYR A 69 -7.476 2.590 -1.595 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.846 0.399 0.243 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.075 1.585 1.156 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -5.121 2.587 1.277 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -7.246 1.699 1.896 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -5.326 3.670 2.110 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -7.459 2.781 2.730 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.496 3.762 2.834 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.703 4.841 3.663 1.00 0.00 O ATOM 0 H TYR A 69 -4.999 2.577 -1.363 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.931 -0.188 -1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.554 -0.389 0.501 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.847 0.001 0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.204 2.519 0.711 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.001 0.931 1.818 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.574 4.440 2.194 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.375 2.857 3.297 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.576 4.755 4.100 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.372 0.526 -1.649 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.728 0.994 -1.909 1.00 0.00 C ATOM 1191 C LEU A 70 -10.619 0.783 -0.688 1.00 0.00 C ATOM 1192 O LEU A 70 -10.219 0.134 0.279 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.317 0.262 -3.118 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.190 1.120 -4.034 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.436 2.364 -4.478 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.649 0.313 -5.239 1.00 0.00 C ATOM 0 H LEU A 70 -8.283 -0.488 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.684 2.062 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.498 -0.153 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.910 -0.579 -2.760 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.071 1.435 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.073 2.962 -5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.157 2.952 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.537 2.070 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.269 0.938 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.779 -0.031 -5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.227 -0.547 -4.902 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.828 1.336 -0.738 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.772 1.207 0.364 1.00 0.00 C ATOM 1210 C VAL A 71 -14.083 0.580 -0.101 1.00 0.00 C ATOM 1211 O VAL A 71 -14.897 1.231 -0.753 1.00 0.00 O ATOM 1212 CB VAL A 71 -13.074 2.573 1.009 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.885 2.396 2.283 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.783 3.326 1.292 1.00 0.00 C ATOM 0 H VAL A 71 -12.175 1.877 -1.530 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.303 0.558 1.103 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.666 3.161 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.088 3.372 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.827 1.901 2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.322 1.788 2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.016 4.289 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.163 2.743 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.244 3.487 0.359 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.279 -0.689 0.243 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.493 -1.403 -0.136 1.00 0.00 C ATOM 1226 C LYS A 72 -16.651 -1.028 0.784 1.00 0.00 C ATOM 1227 O LYS A 72 -16.444 -0.455 1.853 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.253 -2.915 -0.095 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.605 -3.622 -1.394 1.00 0.00 C ATOM 1230 CD LYS A 72 -14.847 -4.931 -1.541 1.00 0.00 C ATOM 1231 CE LYS A 72 -15.203 -5.642 -2.838 1.00 0.00 C ATOM 1232 NZ LYS A 72 -13.990 -6.019 -3.614 1.00 0.00 N ATOM 0 H LYS A 72 -13.614 -1.243 0.783 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.756 -1.115 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.205 -3.102 0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.842 -3.346 0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.677 -3.816 -1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.375 -2.971 -2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.775 -4.736 -1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.074 -5.580 -0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.784 -6.537 -2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.836 -4.995 -3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.275 -6.501 -4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.449 -5.163 -3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.398 -6.657 -3.045 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.870 -1.353 0.358 1.00 0.00 N ATOM 1247 CA ASP A 73 -19.075 -1.050 1.134 1.00 0.00 C ATOM 1248 C ASP A 73 -18.870 -1.331 2.621 1.00 0.00 C ATOM 1249 O ASP A 73 -19.387 -0.609 3.475 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.259 -1.864 0.608 1.00 0.00 C ATOM 1251 CG ASP A 73 -21.074 -1.102 -0.417 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -20.469 -0.408 -1.262 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -22.320 -1.196 -0.375 1.00 0.00 O ATOM 0 H ASP A 73 -18.052 -1.829 -0.526 1.00 0.00 H new ATOM 0 HA ASP A 73 -19.286 0.013 1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.891 -2.788 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.901 -2.146 1.442 1.00 0.00 H new ATOM 1258 N ASP A 74 -18.116 -2.382 2.925 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.846 -2.755 4.309 1.00 0.00 C ATOM 1260 C ASP A 74 -16.574 -3.592 4.408 1.00 0.00 C ATOM 1261 O ASP A 74 -16.427 -4.408 5.316 1.00 0.00 O ATOM 1262 CB ASP A 74 -19.028 -3.531 4.890 1.00 0.00 C ATOM 1263 CG ASP A 74 -19.346 -4.781 4.093 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -18.619 -5.785 4.249 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -20.322 -4.756 3.315 1.00 0.00 O ATOM 0 H ASP A 74 -17.681 -2.991 2.232 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.704 -1.840 4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -18.806 -3.807 5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -19.906 -2.886 4.915 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.659 -3.385 3.465 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.404 -4.124 3.446 1.00 0.00 C ATOM 1272 C GLU A 75 -13.298 -3.298 2.795 1.00 0.00 C ATOM 1273 O GLU A 75 -13.569 -2.323 2.095 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.578 -5.442 2.688 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.594 -6.382 3.319 1.00 0.00 C ATOM 1276 CD GLU A 75 -15.845 -7.621 2.483 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -15.167 -7.787 1.446 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -16.719 -8.427 2.863 1.00 0.00 O ATOM 0 H GLU A 75 -15.764 -2.712 2.706 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.120 -4.336 4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.884 -5.224 1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.614 -5.948 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.242 -6.681 4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.534 -5.850 3.463 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.053 -3.696 3.028 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.906 -2.998 2.459 1.00 0.00 C ATOM 1287 C LEU A 76 -10.177 -3.890 1.461 1.00 0.00 C ATOM 1288 O LEU A 76 -10.143 -5.110 1.617 1.00 0.00 O ATOM 1289 CB LEU A 76 -9.947 -2.555 3.564 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.065 -1.356 3.214 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -9.841 -0.059 3.373 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.815 -1.343 4.081 1.00 0.00 C ATOM 0 H LEU A 76 -11.812 -4.500 3.608 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.270 -2.114 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.529 -2.311 4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.304 -3.396 3.825 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.758 -1.446 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.197 0.783 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.705 -0.068 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.178 0.039 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.199 -0.483 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.101 -1.277 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.248 -2.259 3.916 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.600 -3.276 0.433 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.879 -4.025 -0.590 1.00 0.00 C ATOM 1306 C ILE A 77 -7.563 -3.343 -0.955 1.00 0.00 C ATOM 1307 O ILE A 77 -7.540 -2.163 -1.303 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.734 -4.196 -1.864 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -9.942 -2.848 -2.558 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.074 -4.829 -1.520 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -8.920 -2.561 -3.635 1.00 0.00 C ATOM 0 H ILE A 77 -9.617 -2.267 0.286 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.664 -5.008 -0.170 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.203 -4.856 -2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.939 -2.825 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.905 -2.054 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.666 -4.943 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.909 -5.807 -1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.608 -4.190 -0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.128 -1.590 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.922 -2.552 -3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.972 -3.334 -4.402 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.472 -4.097 -0.881 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.154 -3.567 -1.211 1.00 0.00 C ATOM 1325 C LEU A 78 -4.947 -3.549 -2.723 1.00 0.00 C ATOM 1326 O LEU A 78 -4.921 -4.598 -3.367 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.061 -4.405 -0.545 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.033 -4.335 0.983 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.905 -5.192 1.536 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -3.888 -2.893 1.447 1.00 0.00 C ATOM 0 H LEU A 78 -6.474 -5.076 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.093 -2.545 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.189 -5.445 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.093 -4.081 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.977 -4.725 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.901 -5.130 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.053 -6.228 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.952 -4.833 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.870 -2.861 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.959 -2.477 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.731 -2.307 1.081 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.805 -2.353 -3.283 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.605 -2.202 -4.719 1.00 0.00 C ATOM 1344 C LEU A 79 -3.203 -2.646 -5.128 1.00 0.00 C ATOM 1345 O LEU A 79 -3.042 -3.642 -5.835 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.845 -0.749 -5.141 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.713 -0.571 -6.388 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -7.189 -0.620 -6.023 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -5.380 0.740 -7.086 1.00 0.00 C ATOM 0 H LEU A 79 -4.825 -1.475 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.326 -2.841 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.314 -0.219 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.880 -0.274 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.501 -1.391 -7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.791 -0.492 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.419 -1.583 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.416 0.179 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.007 0.850 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.563 1.571 -6.405 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.331 0.738 -7.382 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.191 -1.909 -4.679 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.808 -2.243 -5.004 1.00 0.00 C ATOM 1363 C ARG A 80 0.169 -1.523 -4.079 1.00 0.00 C ATOM 1364 O ARG A 80 -0.229 -0.716 -3.240 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.502 -1.891 -6.463 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.500 -0.397 -6.746 1.00 0.00 C ATOM 1367 CD ARG A 80 -1.807 0.050 -7.383 1.00 0.00 C ATOM 1368 NE ARG A 80 -1.629 1.234 -8.220 1.00 0.00 N ATOM 1369 CZ ARG A 80 -2.487 1.606 -9.169 1.00 0.00 C ATOM 1370 NH1 ARG A 80 -3.579 0.892 -9.404 1.00 0.00 N ATOM 1371 NH2 ARG A 80 -2.249 2.697 -9.884 1.00 0.00 N ATOM 0 H ARG A 80 -2.301 -1.082 -4.093 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.684 -3.316 -4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.471 -2.303 -6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.239 -2.372 -7.106 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.341 0.150 -5.817 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.331 -0.152 -7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.214 -0.762 -7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.537 0.264 -6.602 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.800 1.809 -8.069 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.767 0.052 -8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.232 1.183 -10.132 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.410 3.250 -9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.905 2.983 -10.611 1.00 0.00 H new ATOM 1385 N LEU A 81 1.454 -1.826 -4.243 1.00 0.00 N ATOM 1386 CA LEU A 81 2.498 -1.215 -3.429 1.00 0.00 C ATOM 1387 C LEU A 81 3.638 -0.707 -4.306 1.00 0.00 C ATOM 1388 O LEU A 81 4.302 -1.486 -4.989 1.00 0.00 O ATOM 1389 CB LEU A 81 3.034 -2.225 -2.414 1.00 0.00 C ATOM 1390 CG LEU A 81 3.793 -1.622 -1.230 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.060 -0.925 -1.703 1.00 0.00 C ATOM 1392 CD2 LEU A 81 2.902 -0.654 -0.465 1.00 0.00 C ATOM 0 H LEU A 81 1.797 -2.493 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 81 2.065 -0.368 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.197 -2.808 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.695 -2.920 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 81 4.080 -2.431 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.585 -0.503 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.706 -1.645 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.798 -0.126 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.457 -0.234 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.584 0.150 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.026 -1.184 -0.091 1.00 0.00 H new ATOM 1404 N GLY A 82 3.859 0.600 -4.281 1.00 0.00 N ATOM 1405 CA GLY A 82 4.920 1.188 -5.077 1.00 0.00 C ATOM 1406 C GLY A 82 5.941 1.924 -4.233 1.00 0.00 C ATOM 1407 O GLY A 82 6.035 1.701 -3.025 1.00 0.00 O ATOM 0 H GLY A 82 3.323 1.265 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.421 0.404 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.487 1.878 -5.801 1.00 0.00 H new ATOM 1411 N SER A 83 6.707 2.799 -4.872 1.00 0.00 N ATOM 1412 CA SER A 83 7.728 3.572 -4.178 1.00 0.00 C ATOM 1413 C SER A 83 7.670 5.035 -4.584 1.00 0.00 C ATOM 1414 O SER A 83 7.233 5.372 -5.684 1.00 0.00 O ATOM 1415 CB SER A 83 9.117 3.003 -4.468 1.00 0.00 C ATOM 1416 OG SER A 83 9.446 1.969 -3.555 1.00 0.00 O ATOM 0 H SER A 83 6.640 2.991 -5.872 1.00 0.00 H new ATOM 0 HA SER A 83 7.534 3.503 -3.108 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.150 2.617 -5.487 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.860 3.798 -4.405 1.00 0.00 H new ATOM 0 HG SER A 83 10.391 1.730 -3.658 1.00 0.00 H new ATOM 1422 N HIS A 84 8.114 5.895 -3.681 1.00 0.00 N ATOM 1423 CA HIS A 84 8.119 7.330 -3.920 1.00 0.00 C ATOM 1424 C HIS A 84 8.751 7.667 -5.271 1.00 0.00 C ATOM 1425 O HIS A 84 8.413 8.674 -5.891 1.00 0.00 O ATOM 1426 CB HIS A 84 8.857 8.033 -2.780 1.00 0.00 C ATOM 1427 CG HIS A 84 10.324 8.227 -3.016 1.00 0.00 C ATOM 1428 ND1 HIS A 84 10.829 9.102 -3.956 1.00 0.00 N ATOM 1429 CD2 HIS A 84 11.399 7.651 -2.427 1.00 0.00 C ATOM 1430 CE1 HIS A 84 12.150 9.055 -3.936 1.00 0.00 C ATOM 1431 NE2 HIS A 84 12.520 8.183 -3.016 1.00 0.00 N ATOM 0 H HIS A 84 8.478 5.621 -2.769 1.00 0.00 H new ATOM 0 HA HIS A 84 7.088 7.684 -3.950 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.397 9.007 -2.612 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.722 7.455 -1.866 1.00 0.00 H new ATOM 0 HD1 HIS A 84 10.270 9.693 -4.571 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.379 6.911 -1.641 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.813 9.631 -4.564 1.00 0.00 H new ATOM 1440 N SER A 85 9.667 6.817 -5.716 1.00 0.00 N ATOM 1441 CA SER A 85 10.346 7.022 -6.991 1.00 0.00 C ATOM 1442 C SER A 85 9.590 6.347 -8.136 1.00 0.00 C ATOM 1443 O SER A 85 9.770 6.700 -9.301 1.00 0.00 O ATOM 1444 CB SER A 85 11.777 6.483 -6.923 1.00 0.00 C ATOM 1445 OG SER A 85 12.530 6.889 -8.053 1.00 0.00 O ATOM 0 H SER A 85 9.958 5.978 -5.214 1.00 0.00 H new ATOM 0 HA SER A 85 10.375 8.094 -7.186 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.260 6.839 -6.013 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.757 5.395 -6.868 1.00 0.00 H new ATOM 0 HG SER A 85 13.440 6.533 -7.984 1.00 0.00 H new ATOM 1451 N GLU A 86 8.749 5.375 -7.796 1.00 0.00 N ATOM 1452 CA GLU A 86 7.973 4.649 -8.795 1.00 0.00 C ATOM 1453 C GLU A 86 6.741 5.444 -9.220 1.00 0.00 C ATOM 1454 O GLU A 86 6.673 5.951 -10.341 1.00 0.00 O ATOM 1455 CB GLU A 86 7.554 3.283 -8.247 1.00 0.00 C ATOM 1456 CG GLU A 86 8.060 2.114 -9.077 1.00 0.00 C ATOM 1457 CD GLU A 86 9.150 1.330 -8.374 1.00 0.00 C ATOM 1458 OE1 GLU A 86 9.916 1.942 -7.600 1.00 0.00 O ATOM 1459 OE2 GLU A 86 9.238 0.104 -8.598 1.00 0.00 O ATOM 0 H GLU A 86 8.588 5.072 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 86 8.603 4.504 -9.673 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.924 3.181 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.466 3.239 -8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.228 1.448 -9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.441 2.486 -10.028 1.00 0.00 H new ATOM 1466 N LEU A 87 5.766 5.543 -8.322 1.00 0.00 N ATOM 1467 CA LEU A 87 4.529 6.269 -8.601 1.00 0.00 C ATOM 1468 C LEU A 87 4.815 7.663 -9.159 1.00 0.00 C ATOM 1469 O LEU A 87 4.006 8.220 -9.900 1.00 0.00 O ATOM 1470 CB LEU A 87 3.681 6.379 -7.334 1.00 0.00 C ATOM 1471 CG LEU A 87 2.852 5.138 -7.004 1.00 0.00 C ATOM 1472 CD1 LEU A 87 3.643 4.186 -6.120 1.00 0.00 C ATOM 1473 CD2 LEU A 87 1.545 5.532 -6.332 1.00 0.00 C ATOM 0 H LEU A 87 5.808 5.128 -7.391 1.00 0.00 H new ATOM 0 HA LEU A 87 3.977 5.708 -9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.339 6.593 -6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.008 7.230 -7.437 1.00 0.00 H new ATOM 0 HG LEU A 87 2.617 4.624 -7.936 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.036 3.309 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.550 3.877 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.910 4.689 -5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.968 4.636 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.758 6.070 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.971 6.173 -7.001 1.00 0.00 H new ATOM 1485 N PHE A 88 5.968 8.219 -8.799 1.00 0.00 N ATOM 1486 CA PHE A 88 6.352 9.546 -9.268 1.00 0.00 C ATOM 1487 C PHE A 88 7.483 9.457 -10.288 1.00 0.00 C ATOM 1488 O PHE A 88 8.341 8.563 -10.141 1.00 0.00 O ATOM 1489 CB PHE A 88 6.779 10.422 -8.089 1.00 0.00 C ATOM 1490 CG PHE A 88 5.676 11.290 -7.553 1.00 0.00 C ATOM 1491 CD1 PHE A 88 5.265 12.417 -8.244 1.00 0.00 C ATOM 1492 CD2 PHE A 88 5.050 10.975 -6.357 1.00 0.00 C ATOM 1493 CE1 PHE A 88 4.250 13.216 -7.753 1.00 0.00 C ATOM 1494 CE2 PHE A 88 4.034 11.770 -5.861 1.00 0.00 C ATOM 1495 CZ PHE A 88 3.634 12.893 -6.560 1.00 0.00 C ATOM 1496 OXT PHE A 88 7.498 10.282 -11.225 1.00 0.00 O ATOM 0 H PHE A 88 6.650 7.773 -8.186 1.00 0.00 H new ATOM 0 HA PHE A 88 5.486 9.998 -9.752 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.149 9.783 -7.287 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.610 11.055 -8.400 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.743 12.675 -9.177 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.360 10.099 -5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.939 14.092 -8.302 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.553 11.514 -4.928 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.841 13.517 -6.174 1.00 0.00 H new TER 1506 PHE A 88