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 3 LYS NZ :NH3+ -161:sc= -0.406 (180deg=0) USER MOD Set 1.2: A 5 ASN : amide:sc= -1.02 K(o=-1.4,f=-2.2!) USER MOD Single : A 1 MET CE :methyl -133:sc= -1.59! (180deg=-3.33!) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.695 (180deg=-2.01!) USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0599) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0471 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.3!) USER MOD Single : A 33 THR OG1 : rot 84:sc= -0.466 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 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 47 HIS : no HD1:sc= -0.0569 K(o=-0.057,f=-2.8!) USER MOD Single : A 50 LYS NZ :NH3+ -146:sc= 1.2 (180deg=0.998) 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 111:sc= -3.35! USER MOD Single : A 60 HIS : no HD1:sc= -4.85! C(o=-4.9!,f=-4.4!) USER MOD Single : A 62 LYS NZ :NH3+ -155:sc= -0.119 (180deg=-0.497) USER MOD Single : A 69 TYR OH : rot 110:sc= -1.09 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -166:sc= 0.075 USER MOD Single : A 84 HIS : no HE2:sc= 0.713 K(o=0.71,f=-3.1!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.150 -0.438 12.197 1.00 0.00 N ATOM 2 CA MET A 1 -9.523 0.250 10.933 1.00 0.00 C ATOM 3 C MET A 1 -10.581 -0.542 10.167 1.00 0.00 C ATOM 4 O MET A 1 -11.203 -1.453 10.715 1.00 0.00 O ATOM 5 CB MET A 1 -8.263 0.425 10.078 1.00 0.00 C ATOM 6 CG MET A 1 -7.684 -0.882 9.559 1.00 0.00 C ATOM 7 SD MET A 1 -6.504 -1.621 10.705 1.00 0.00 S ATOM 8 CE MET A 1 -7.421 -3.060 11.246 1.00 0.00 C ATOM 0 H1 MET A 1 -9.263 0.218 12.996 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.766 -1.264 12.338 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.159 -0.750 12.143 1.00 0.00 H new ATOM 0 HA MET A 1 -9.951 1.225 11.168 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.497 1.069 9.230 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.504 0.938 10.668 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.495 -1.586 9.374 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.193 -0.703 8.603 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.369 -3.138 12.332 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.462 -2.964 10.939 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.991 -3.955 10.797 1.00 0.00 H new ATOM 20 N LEU A 2 -10.779 -0.190 8.902 1.00 0.00 N ATOM 21 CA LEU A 2 -11.759 -0.870 8.063 1.00 0.00 C ATOM 22 C LEU A 2 -11.216 -2.205 7.568 1.00 0.00 C ATOM 23 O LEU A 2 -10.053 -2.539 7.797 1.00 0.00 O ATOM 24 CB LEU A 2 -12.145 0.011 6.874 1.00 0.00 C ATOM 25 CG LEU A 2 -12.469 1.466 7.222 1.00 0.00 C ATOM 26 CD1 LEU A 2 -11.263 2.359 6.967 1.00 0.00 C ATOM 27 CD2 LEU A 2 -13.670 1.950 6.424 1.00 0.00 C ATOM 0 H LEU A 2 -10.274 0.563 8.434 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.647 -1.060 8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.328 -0.000 6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -13.011 -0.430 6.381 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.716 1.519 8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.513 3.389 7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.427 2.027 7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -10.984 2.302 5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.886 2.986 6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.450 1.882 5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.535 1.330 6.657 1.00 0.00 H new ATOM 39 N LYS A 3 -12.064 -2.967 6.886 1.00 0.00 N ATOM 40 CA LYS A 3 -11.669 -4.267 6.356 1.00 0.00 C ATOM 41 C LYS A 3 -10.498 -4.127 5.389 1.00 0.00 C ATOM 42 O LYS A 3 -10.240 -3.046 4.863 1.00 0.00 O ATOM 43 CB LYS A 3 -12.853 -4.931 5.652 1.00 0.00 C ATOM 44 CG LYS A 3 -12.926 -6.433 5.872 1.00 0.00 C ATOM 45 CD LYS A 3 -12.438 -7.201 4.655 1.00 0.00 C ATOM 46 CE LYS A 3 -13.321 -6.943 3.444 1.00 0.00 C ATOM 47 NZ LYS A 3 -13.101 -7.953 2.372 1.00 0.00 N ATOM 0 H LYS A 3 -13.030 -2.707 6.687 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.353 -4.893 7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.778 -4.475 6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.788 -4.731 4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.324 -6.704 6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.954 -6.719 6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.412 -6.911 4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.426 -8.268 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.368 -6.958 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.117 -5.947 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.457 -7.583 1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.084 -8.154 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.608 -8.829 2.611 1.00 0.00 H new ATOM 61 N LEU A 4 -9.792 -5.231 5.158 1.00 0.00 N ATOM 62 CA LEU A 4 -8.648 -5.230 4.254 1.00 0.00 C ATOM 63 C LEU A 4 -8.805 -6.292 3.171 1.00 0.00 C ATOM 64 O LEU A 4 -9.519 -7.279 3.353 1.00 0.00 O ATOM 65 CB LEU A 4 -7.354 -5.471 5.034 1.00 0.00 C ATOM 66 CG LEU A 4 -6.079 -4.977 4.342 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.421 -3.872 5.154 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.108 -6.130 4.122 1.00 0.00 C ATOM 0 H LEU A 4 -9.993 -6.136 5.584 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.600 -4.253 3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.436 -4.981 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.256 -6.540 5.224 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.354 -4.569 3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.518 -3.535 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.112 -3.036 5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.161 -4.252 6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.209 -5.760 3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.841 -6.569 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.579 -6.888 3.496 1.00 0.00 H new ATOM 80 N ASN A 5 -8.134 -6.085 2.043 1.00 0.00 N ATOM 81 CA ASN A 5 -8.201 -7.025 0.929 1.00 0.00 C ATOM 82 C ASN A 5 -6.899 -7.023 0.135 1.00 0.00 C ATOM 83 O ASN A 5 -5.951 -6.319 0.481 1.00 0.00 O ATOM 84 CB ASN A 5 -9.375 -6.675 0.012 1.00 0.00 C ATOM 85 CG ASN A 5 -10.234 -7.883 -0.312 1.00 0.00 C ATOM 86 OD1 ASN A 5 -9.733 -8.914 -0.762 1.00 0.00 O ATOM 87 ND2 ASN A 5 -11.537 -7.760 -0.085 1.00 0.00 N ATOM 0 H ASN A 5 -7.537 -5.275 1.876 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.352 -8.025 1.337 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.990 -5.912 0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.994 -6.244 -0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.165 -8.538 -0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.909 -6.887 0.289 1.00 0.00 H new ATOM 94 N LEU A 6 -6.860 -7.816 -0.931 1.00 0.00 N ATOM 95 CA LEU A 6 -5.676 -7.905 -1.776 1.00 0.00 C ATOM 96 C LEU A 6 -6.065 -7.985 -3.249 1.00 0.00 C ATOM 97 O LEU A 6 -7.040 -8.643 -3.609 1.00 0.00 O ATOM 98 CB LEU A 6 -4.837 -9.127 -1.392 1.00 0.00 C ATOM 99 CG LEU A 6 -4.281 -9.109 0.033 1.00 0.00 C ATOM 100 CD1 LEU A 6 -3.936 -10.518 0.489 1.00 0.00 C ATOM 101 CD2 LEU A 6 -3.061 -8.205 0.115 1.00 0.00 C ATOM 0 H LEU A 6 -7.636 -8.407 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.083 -7.004 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.448 -10.021 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.004 -9.210 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.048 -8.713 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.542 -10.485 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.833 -11.137 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.186 -10.943 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.677 -8.203 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.290 -8.572 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.340 -7.190 -0.170 1.00 0.00 H new ATOM 113 N LYS A 7 -5.295 -7.309 -4.097 1.00 0.00 N ATOM 114 CA LYS A 7 -5.559 -7.303 -5.531 1.00 0.00 C ATOM 115 C LYS A 7 -4.426 -7.977 -6.296 1.00 0.00 C ATOM 116 O LYS A 7 -3.386 -8.304 -5.724 1.00 0.00 O ATOM 117 CB LYS A 7 -5.747 -5.869 -6.029 1.00 0.00 C ATOM 118 CG LYS A 7 -7.106 -5.281 -5.689 1.00 0.00 C ATOM 119 CD LYS A 7 -8.075 -5.407 -6.852 1.00 0.00 C ATOM 120 CE LYS A 7 -9.486 -5.018 -6.445 1.00 0.00 C ATOM 121 NZ LYS A 7 -10.123 -6.051 -5.585 1.00 0.00 N ATOM 0 H LYS A 7 -4.484 -6.759 -3.815 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.476 -7.865 -5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.969 -5.239 -5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.611 -5.848 -7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.516 -5.790 -4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.992 -4.231 -5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.744 -4.772 -7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.071 -6.433 -7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.460 -4.068 -5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.092 -4.866 -7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.129 -5.823 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.035 -6.983 -6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.651 -6.071 -4.659 1.00 0.00 H new ATOM 135 N LYS A 8 -4.632 -8.180 -7.594 1.00 0.00 N ATOM 136 CA LYS A 8 -3.627 -8.814 -8.438 1.00 0.00 C ATOM 137 C LYS A 8 -2.429 -7.893 -8.644 1.00 0.00 C ATOM 138 O LYS A 8 -1.293 -8.352 -8.764 1.00 0.00 O ATOM 139 CB LYS A 8 -4.233 -9.194 -9.790 1.00 0.00 C ATOM 140 CG LYS A 8 -5.390 -10.173 -9.686 1.00 0.00 C ATOM 141 CD LYS A 8 -6.257 -10.147 -10.934 1.00 0.00 C ATOM 142 CE LYS A 8 -7.170 -8.931 -10.952 1.00 0.00 C ATOM 143 NZ LYS A 8 -8.388 -9.138 -10.122 1.00 0.00 N ATOM 0 H LYS A 8 -5.487 -7.914 -8.083 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.284 -9.718 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.578 -8.289 -10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.455 -9.629 -10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.003 -11.180 -9.532 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.998 -9.928 -8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.622 -10.140 -11.820 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.858 -11.055 -10.980 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.624 -8.062 -10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.463 -8.713 -11.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.984 -8.286 -10.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.923 -9.952 -10.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.110 -9.321 -9.137 1.00 0.00 H new ATOM 157 N SER A 9 -2.691 -6.590 -8.685 1.00 0.00 N ATOM 158 CA SER A 9 -1.634 -5.603 -8.877 1.00 0.00 C ATOM 159 C SER A 9 -0.676 -5.597 -7.691 1.00 0.00 C ATOM 160 O SER A 9 0.525 -5.375 -7.850 1.00 0.00 O ATOM 161 CB SER A 9 -2.237 -4.211 -9.070 1.00 0.00 C ATOM 162 OG SER A 9 -3.532 -4.289 -9.637 1.00 0.00 O ATOM 0 H SER A 9 -3.626 -6.193 -8.588 1.00 0.00 H new ATOM 0 HA SER A 9 -1.074 -5.874 -9.772 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.288 -3.697 -8.110 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.590 -3.617 -9.715 1.00 0.00 H new ATOM 0 HG SER A 9 -3.895 -3.386 -9.748 1.00 0.00 H new ATOM 168 N PHE A 10 -1.214 -5.840 -6.500 1.00 0.00 N ATOM 169 CA PHE A 10 -0.406 -5.862 -5.286 1.00 0.00 C ATOM 170 C PHE A 10 0.572 -7.033 -5.305 1.00 0.00 C ATOM 171 O PHE A 10 1.655 -6.959 -4.727 1.00 0.00 O ATOM 172 CB PHE A 10 -1.304 -5.952 -4.053 1.00 0.00 C ATOM 173 CG PHE A 10 -0.613 -5.565 -2.776 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.463 -4.231 -2.431 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.110 -6.534 -1.923 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.173 -3.871 -1.260 1.00 0.00 C ATOM 177 CE2 PHE A 10 0.527 -6.180 -0.749 1.00 0.00 C ATOM 178 CZ PHE A 10 0.669 -4.847 -0.417 1.00 0.00 C ATOM 0 H PHE A 10 -2.206 -6.024 -6.350 1.00 0.00 H new ATOM 0 HA PHE A 10 0.166 -4.935 -5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.171 -5.307 -4.197 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.678 -6.972 -3.960 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.848 -3.464 -3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.217 -7.578 -2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.283 -2.828 -1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.913 -6.945 -0.092 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.167 -4.568 0.500 1.00 0.00 H new ATOM 188 N GLN A 11 0.181 -8.114 -5.973 1.00 0.00 N ATOM 189 CA GLN A 11 1.024 -9.298 -6.067 1.00 0.00 C ATOM 190 C GLN A 11 2.308 -8.992 -6.832 1.00 0.00 C ATOM 191 O GLN A 11 3.404 -9.326 -6.381 1.00 0.00 O ATOM 192 CB GLN A 11 0.266 -10.437 -6.754 1.00 0.00 C ATOM 193 CG GLN A 11 -1.011 -10.838 -6.034 1.00 0.00 C ATOM 194 CD GLN A 11 -1.633 -12.096 -6.609 1.00 0.00 C ATOM 195 OE1 GLN A 11 -0.929 -13.027 -7.002 1.00 0.00 O ATOM 196 NE2 GLN A 11 -2.960 -12.128 -6.662 1.00 0.00 N ATOM 0 H GLN A 11 -0.714 -8.193 -6.456 1.00 0.00 H new ATOM 0 HA GLN A 11 1.289 -9.606 -5.056 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.020 -10.136 -7.772 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.920 -11.306 -6.827 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.794 -10.994 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.730 -10.021 -6.095 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.503 -11.333 -6.325 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.436 -12.947 -7.040 1.00 0.00 H new ATOM 205 N LYS A 12 2.165 -8.355 -7.987 1.00 0.00 N ATOM 206 CA LYS A 12 3.316 -8.003 -8.811 1.00 0.00 C ATOM 207 C LYS A 12 4.143 -6.900 -8.155 1.00 0.00 C ATOM 208 O LYS A 12 5.337 -6.767 -8.419 1.00 0.00 O ATOM 209 CB LYS A 12 2.858 -7.555 -10.200 1.00 0.00 C ATOM 210 CG LYS A 12 1.868 -8.507 -10.850 1.00 0.00 C ATOM 211 CD LYS A 12 0.845 -7.760 -11.693 1.00 0.00 C ATOM 212 CE LYS A 12 1.482 -7.153 -12.934 1.00 0.00 C ATOM 213 NZ LYS A 12 0.714 -7.482 -14.167 1.00 0.00 N ATOM 0 H LYS A 12 1.265 -8.072 -8.375 1.00 0.00 H new ATOM 0 HA LYS A 12 3.942 -8.890 -8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.403 -6.568 -10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.730 -7.454 -10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.405 -9.220 -11.475 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.355 -9.082 -10.079 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.048 -8.442 -11.988 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.386 -6.972 -11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.540 -6.071 -12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.504 -7.519 -13.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.179 -7.051 -14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.680 -8.514 -14.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.254 -7.111 -14.082 1.00 0.00 H new ATOM 227 N ASP A 13 3.501 -6.113 -7.299 1.00 0.00 N ATOM 228 CA ASP A 13 4.179 -5.024 -6.606 1.00 0.00 C ATOM 229 C ASP A 13 4.767 -5.500 -5.279 1.00 0.00 C ATOM 230 O ASP A 13 5.703 -4.904 -4.751 1.00 0.00 O ATOM 231 CB ASP A 13 3.208 -3.866 -6.360 1.00 0.00 C ATOM 232 CG ASP A 13 2.966 -3.042 -7.607 1.00 0.00 C ATOM 233 OD1 ASP A 13 3.809 -2.175 -7.920 1.00 0.00 O ATOM 234 OD2 ASP A 13 1.932 -3.262 -8.273 1.00 0.00 O ATOM 0 H ASP A 13 2.512 -6.209 -7.068 1.00 0.00 H new ATOM 0 HA ASP A 13 4.996 -4.678 -7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.259 -4.262 -5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.605 -3.223 -5.574 1.00 0.00 H new ATOM 239 N PHE A 14 4.210 -6.582 -4.748 1.00 0.00 N ATOM 240 CA PHE A 14 4.672 -7.151 -3.489 1.00 0.00 C ATOM 241 C PHE A 14 5.748 -8.199 -3.739 1.00 0.00 C ATOM 242 O PHE A 14 6.711 -8.308 -2.989 1.00 0.00 O ATOM 243 CB PHE A 14 3.501 -7.774 -2.725 1.00 0.00 C ATOM 244 CG PHE A 14 3.894 -8.366 -1.400 1.00 0.00 C ATOM 245 CD1 PHE A 14 3.930 -7.582 -0.259 1.00 0.00 C ATOM 246 CD2 PHE A 14 4.227 -9.707 -1.298 1.00 0.00 C ATOM 247 CE1 PHE A 14 4.291 -8.124 0.960 1.00 0.00 C ATOM 248 CE2 PHE A 14 4.589 -10.255 -0.082 1.00 0.00 C ATOM 249 CZ PHE A 14 4.620 -9.462 1.049 1.00 0.00 C ATOM 0 H PHE A 14 3.432 -7.086 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 14 5.099 -6.349 -2.887 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.738 -7.013 -2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.048 -8.551 -3.341 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.673 -6.535 -0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.203 -10.331 -2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.316 -7.502 1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.847 -11.302 -0.016 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.901 -9.888 2.001 1.00 0.00 H new ATOM 259 N ASP A 15 5.560 -8.986 -4.791 1.00 0.00 N ATOM 260 CA ASP A 15 6.511 -10.029 -5.145 1.00 0.00 C ATOM 261 C ASP A 15 7.549 -9.542 -6.157 1.00 0.00 C ATOM 262 O ASP A 15 8.754 -9.625 -5.921 1.00 0.00 O ATOM 263 CB ASP A 15 5.777 -11.254 -5.697 1.00 0.00 C ATOM 264 CG ASP A 15 5.229 -12.141 -4.597 1.00 0.00 C ATOM 265 OD1 ASP A 15 6.028 -12.865 -3.965 1.00 0.00 O ATOM 266 OD2 ASP A 15 4.003 -12.111 -4.366 1.00 0.00 O ATOM 0 H ASP A 15 4.755 -8.920 -5.414 1.00 0.00 H new ATOM 0 HA ASP A 15 7.042 -10.304 -4.234 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.958 -10.926 -6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.458 -11.832 -6.321 1.00 0.00 H new ATOM 271 N LYS A 16 7.062 -9.078 -7.308 1.00 0.00 N ATOM 272 CA LYS A 16 7.928 -8.623 -8.395 1.00 0.00 C ATOM 273 C LYS A 16 8.692 -7.339 -8.063 1.00 0.00 C ATOM 274 O LYS A 16 9.897 -7.257 -8.307 1.00 0.00 O ATOM 275 CB LYS A 16 7.105 -8.417 -9.668 1.00 0.00 C ATOM 276 CG LYS A 16 7.740 -9.030 -10.906 1.00 0.00 C ATOM 277 CD LYS A 16 6.692 -9.587 -11.854 1.00 0.00 C ATOM 278 CE LYS A 16 6.540 -11.092 -11.694 1.00 0.00 C ATOM 279 NZ LYS A 16 7.390 -11.842 -12.659 1.00 0.00 N ATOM 0 H LYS A 16 6.065 -9.007 -7.512 1.00 0.00 H new ATOM 0 HA LYS A 16 8.673 -9.405 -8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.115 -8.850 -9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.965 -7.349 -9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.334 -8.276 -11.422 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.423 -9.826 -10.609 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.735 -9.101 -11.666 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.970 -9.355 -12.882 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.807 -11.378 -10.677 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.496 -11.369 -11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.257 -12.864 -12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.118 -11.589 -13.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.389 -11.598 -12.504 1.00 0.00 H new ATOM 293 N LEU A 17 8.002 -6.335 -7.528 1.00 0.00 N ATOM 294 CA LEU A 17 8.650 -5.067 -7.198 1.00 0.00 C ATOM 295 C LEU A 17 9.936 -5.301 -6.423 1.00 0.00 C ATOM 296 O LEU A 17 10.939 -4.624 -6.634 1.00 0.00 O ATOM 297 CB LEU A 17 7.716 -4.174 -6.381 1.00 0.00 C ATOM 298 CG LEU A 17 7.996 -2.675 -6.491 1.00 0.00 C ATOM 299 CD1 LEU A 17 6.728 -1.875 -6.235 1.00 0.00 C ATOM 300 CD2 LEU A 17 9.089 -2.264 -5.517 1.00 0.00 C ATOM 0 H LEU A 17 7.005 -6.372 -7.315 1.00 0.00 H new ATOM 0 HA LEU A 17 8.888 -4.566 -8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.690 -4.361 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.784 -4.465 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 17 8.339 -2.463 -7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.947 -0.810 -6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.971 -2.148 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.356 -2.093 -5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.275 -1.194 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.773 -2.491 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.003 -2.812 -5.744 1.00 0.00 H new ATOM 312 N LEU A 18 9.888 -6.271 -5.524 1.00 0.00 N ATOM 313 CA LEU A 18 11.039 -6.614 -4.703 1.00 0.00 C ATOM 314 C LEU A 18 12.196 -7.104 -5.566 1.00 0.00 C ATOM 315 O LEU A 18 13.363 -6.889 -5.240 1.00 0.00 O ATOM 316 CB LEU A 18 10.656 -7.681 -3.681 1.00 0.00 C ATOM 317 CG LEU A 18 9.730 -7.201 -2.563 1.00 0.00 C ATOM 318 CD1 LEU A 18 10.469 -6.241 -1.654 1.00 0.00 C ATOM 319 CD2 LEU A 18 8.486 -6.536 -3.134 1.00 0.00 C ATOM 0 H LEU A 18 9.059 -6.838 -5.343 1.00 0.00 H new ATOM 0 HA LEU A 18 11.363 -5.717 -4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.173 -8.506 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.567 -8.077 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 18 9.414 -8.068 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.802 -5.904 -0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.330 -6.745 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.809 -5.381 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.844 -6.204 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.778 -5.678 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.944 -7.250 -3.754 1.00 0.00 H new ATOM 331 N LEU A 19 11.863 -7.762 -6.672 1.00 0.00 N ATOM 332 CA LEU A 19 12.876 -8.278 -7.587 1.00 0.00 C ATOM 333 C LEU A 19 13.233 -7.248 -8.658 1.00 0.00 C ATOM 334 O LEU A 19 13.889 -7.576 -9.647 1.00 0.00 O ATOM 335 CB LEU A 19 12.382 -9.569 -8.245 1.00 0.00 C ATOM 336 CG LEU A 19 12.552 -10.832 -7.402 1.00 0.00 C ATOM 337 CD1 LEU A 19 11.977 -12.040 -8.127 1.00 0.00 C ATOM 338 CD2 LEU A 19 14.019 -11.057 -7.069 1.00 0.00 C ATOM 0 H LEU A 19 10.902 -7.950 -6.956 1.00 0.00 H new ATOM 0 HA LEU A 19 13.775 -8.490 -7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.326 -9.453 -8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.914 -9.705 -9.187 1.00 0.00 H new ATOM 0 HG LEU A 19 12.004 -10.699 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.107 -12.930 -7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.915 -11.881 -8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.496 -12.176 -9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 19 14.121 -11.961 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.589 -11.168 -7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.400 -10.203 -6.508 1.00 0.00 H new ATOM 350 N ASN A 20 12.802 -6.003 -8.458 1.00 0.00 N ATOM 351 CA ASN A 20 13.082 -4.936 -9.411 1.00 0.00 C ATOM 352 C ASN A 20 14.002 -3.886 -8.796 1.00 0.00 C ATOM 353 O ASN A 20 13.945 -2.709 -9.153 1.00 0.00 O ATOM 354 CB ASN A 20 11.777 -4.284 -9.875 1.00 0.00 C ATOM 355 CG ASN A 20 11.518 -4.494 -11.355 1.00 0.00 C ATOM 356 OD1 ASN A 20 11.479 -3.540 -12.132 1.00 0.00 O ATOM 357 ND2 ASN A 20 11.341 -5.749 -11.752 1.00 0.00 N ATOM 0 H ASN A 20 12.259 -5.711 -7.645 1.00 0.00 H new ATOM 0 HA ASN A 20 13.587 -5.373 -10.273 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.946 -4.694 -9.302 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.813 -3.215 -9.664 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.164 -5.953 -12.736 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.382 -6.509 -11.073 1.00 0.00 H new ATOM 364 N GLY A 21 14.851 -4.319 -7.868 1.00 0.00 N ATOM 365 CA GLY A 21 15.771 -3.405 -7.218 1.00 0.00 C ATOM 366 C GLY A 21 15.159 -2.711 -6.016 1.00 0.00 C ATOM 367 O GLY A 21 15.612 -1.640 -5.613 1.00 0.00 O ATOM 0 H GLY A 21 14.917 -5.288 -7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.658 -3.953 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.099 -2.654 -7.937 1.00 0.00 H new ATOM 371 N PHE A 22 14.127 -3.323 -5.442 1.00 0.00 N ATOM 372 CA PHE A 22 13.454 -2.755 -4.280 1.00 0.00 C ATOM 373 C PHE A 22 13.671 -3.628 -3.047 1.00 0.00 C ATOM 374 O PHE A 22 13.342 -4.815 -3.046 1.00 0.00 O ATOM 375 CB PHE A 22 11.957 -2.605 -4.561 1.00 0.00 C ATOM 376 CG PHE A 22 11.166 -2.114 -3.382 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.080 -0.762 -3.098 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.506 -3.013 -2.560 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.350 -0.313 -2.013 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.775 -2.571 -1.474 1.00 0.00 C ATOM 381 CZ PHE A 22 9.696 -1.219 -1.201 1.00 0.00 C ATOM 0 H PHE A 22 13.740 -4.211 -5.762 1.00 0.00 H new ATOM 0 HA PHE A 22 13.880 -1.771 -4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.820 -1.913 -5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.558 -3.568 -4.879 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.589 -0.050 -3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.564 -4.071 -2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.291 0.744 -1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.266 -3.281 -0.839 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.124 -0.871 -0.354 1.00 0.00 H new ATOM 391 N ASP A 23 14.225 -3.031 -1.995 1.00 0.00 N ATOM 392 CA ASP A 23 14.485 -3.753 -0.755 1.00 0.00 C ATOM 393 C ASP A 23 13.197 -4.340 -0.188 1.00 0.00 C ATOM 394 O ASP A 23 12.100 -3.895 -0.526 1.00 0.00 O ATOM 395 CB ASP A 23 15.133 -2.824 0.275 1.00 0.00 C ATOM 396 CG ASP A 23 16.041 -3.569 1.234 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.547 -4.481 1.931 1.00 0.00 O ATOM 398 OD2 ASP A 23 17.244 -3.240 1.290 1.00 0.00 O ATOM 0 H ASP A 23 14.502 -2.050 -1.977 1.00 0.00 H new ATOM 0 HA ASP A 23 15.170 -4.572 -0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.708 -2.056 -0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.354 -2.312 0.840 1.00 0.00 H new ATOM 403 N ASP A 24 13.336 -5.343 0.674 1.00 0.00 N ATOM 404 CA ASP A 24 12.180 -5.990 1.283 1.00 0.00 C ATOM 405 C ASP A 24 12.066 -5.631 2.761 1.00 0.00 C ATOM 406 O ASP A 24 10.970 -5.600 3.320 1.00 0.00 O ATOM 407 CB ASP A 24 12.274 -7.509 1.120 1.00 0.00 C ATOM 408 CG ASP A 24 13.483 -8.093 1.825 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.531 -7.414 1.869 1.00 0.00 O ATOM 410 OD2 ASP A 24 13.382 -9.229 2.333 1.00 0.00 O ATOM 0 H ASP A 24 14.236 -5.724 0.966 1.00 0.00 H new ATOM 0 HA ASP A 24 11.286 -5.631 0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.369 -7.971 1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.321 -7.756 0.059 1.00 0.00 H new ATOM 415 N SER A 25 13.205 -5.360 3.392 1.00 0.00 N ATOM 416 CA SER A 25 13.232 -5.005 4.807 1.00 0.00 C ATOM 417 C SER A 25 12.326 -3.809 5.093 1.00 0.00 C ATOM 418 O SER A 25 11.874 -3.619 6.222 1.00 0.00 O ATOM 419 CB SER A 25 14.664 -4.688 5.245 1.00 0.00 C ATOM 420 OG SER A 25 14.851 -4.977 6.620 1.00 0.00 O ATOM 0 H SER A 25 14.122 -5.380 2.945 1.00 0.00 H new ATOM 0 HA SER A 25 12.862 -5.859 5.374 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.367 -5.269 4.649 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.881 -3.636 5.058 1.00 0.00 H new ATOM 0 HG SER A 25 15.774 -4.768 6.876 1.00 0.00 H new ATOM 426 N VAL A 26 12.067 -3.004 4.067 1.00 0.00 N ATOM 427 CA VAL A 26 11.219 -1.828 4.213 1.00 0.00 C ATOM 428 C VAL A 26 9.741 -2.206 4.200 1.00 0.00 C ATOM 429 O VAL A 26 8.966 -1.746 5.040 1.00 0.00 O ATOM 430 CB VAL A 26 11.483 -0.802 3.094 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.751 0.499 3.379 1.00 0.00 C ATOM 432 CG2 VAL A 26 12.976 -0.558 2.934 1.00 0.00 C ATOM 0 H VAL A 26 12.433 -3.146 3.125 1.00 0.00 H new ATOM 0 HA VAL A 26 11.467 -1.380 5.175 1.00 0.00 H new ATOM 0 HB VAL A 26 11.102 -1.208 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.949 1.211 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.679 0.308 3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.098 0.912 4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.143 0.169 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.384 -0.174 3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.472 -1.494 2.679 1.00 0.00 H new ATOM 442 N LEU A 27 9.355 -3.043 3.243 1.00 0.00 N ATOM 443 CA LEU A 27 7.968 -3.480 3.120 1.00 0.00 C ATOM 444 C LEU A 27 7.501 -4.180 4.395 1.00 0.00 C ATOM 445 O LEU A 27 6.315 -4.165 4.727 1.00 0.00 O ATOM 446 CB LEU A 27 7.807 -4.405 1.907 1.00 0.00 C ATOM 447 CG LEU A 27 7.942 -5.907 2.190 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.570 -6.548 2.332 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.738 -6.589 1.089 1.00 0.00 C ATOM 0 H LEU A 27 9.983 -3.433 2.540 1.00 0.00 H new ATOM 0 HA LEU A 27 7.344 -2.599 2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.828 -4.225 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.551 -4.127 1.160 1.00 0.00 H new ATOM 0 HG LEU A 27 8.480 -6.032 3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.685 -7.613 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.033 -6.079 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.007 -6.411 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.823 -7.653 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.229 -6.454 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.734 -6.149 1.034 1.00 0.00 H new ATOM 461 N ASN A 28 8.441 -4.797 5.104 1.00 0.00 N ATOM 462 CA ASN A 28 8.126 -5.504 6.340 1.00 0.00 C ATOM 463 C ASN A 28 7.707 -4.532 7.442 1.00 0.00 C ATOM 464 O ASN A 28 7.139 -4.941 8.454 1.00 0.00 O ATOM 465 CB ASN A 28 9.331 -6.325 6.801 1.00 0.00 C ATOM 466 CG ASN A 28 8.925 -7.611 7.490 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.922 -8.230 7.135 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.704 -8.021 8.485 1.00 0.00 N ATOM 0 H ASN A 28 9.427 -4.822 4.844 1.00 0.00 H new ATOM 0 HA ASN A 28 7.290 -6.173 6.139 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.958 -6.559 5.941 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.936 -5.726 7.482 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.480 -8.880 8.987 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.526 -7.477 8.746 1.00 0.00 H new ATOM 475 N GLU A 29 7.996 -3.247 7.244 1.00 0.00 N ATOM 476 CA GLU A 29 7.651 -2.227 8.230 1.00 0.00 C ATOM 477 C GLU A 29 6.260 -1.650 7.970 1.00 0.00 C ATOM 478 O GLU A 29 5.521 -1.348 8.907 1.00 0.00 O ATOM 479 CB GLU A 29 8.691 -1.106 8.214 1.00 0.00 C ATOM 480 CG GLU A 29 10.024 -1.506 8.824 1.00 0.00 C ATOM 481 CD GLU A 29 10.967 -0.330 8.991 1.00 0.00 C ATOM 482 OE1 GLU A 29 11.569 0.098 7.984 1.00 0.00 O ATOM 483 OE2 GLU A 29 11.102 0.165 10.129 1.00 0.00 O ATOM 0 H GLU A 29 8.466 -2.889 6.413 1.00 0.00 H new ATOM 0 HA GLU A 29 7.644 -2.700 9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.853 -0.786 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.296 -0.247 8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.850 -1.968 9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.497 -2.259 8.193 1.00 0.00 H new ATOM 490 N VAL A 30 5.911 -1.493 6.696 1.00 0.00 N ATOM 491 CA VAL A 30 4.611 -0.945 6.323 1.00 0.00 C ATOM 492 C VAL A 30 3.530 -2.023 6.351 1.00 0.00 C ATOM 493 O VAL A 30 2.379 -1.753 6.693 1.00 0.00 O ATOM 494 CB VAL A 30 4.653 -0.297 4.923 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.115 -1.297 3.874 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.296 0.288 4.555 1.00 0.00 C ATOM 0 H VAL A 30 6.509 -1.737 5.906 1.00 0.00 H new ATOM 0 HA VAL A 30 4.367 -0.177 7.058 1.00 0.00 H new ATOM 0 HB VAL A 30 5.376 0.518 4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.136 -0.815 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.115 -1.652 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.426 -2.141 3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.351 0.739 3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.547 -0.504 4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.018 1.048 5.285 1.00 0.00 H new ATOM 506 N ILE A 31 3.913 -3.242 5.995 1.00 0.00 N ATOM 507 CA ILE A 31 2.981 -4.364 5.985 1.00 0.00 C ATOM 508 C ILE A 31 2.716 -4.862 7.406 1.00 0.00 C ATOM 509 O ILE A 31 1.687 -5.479 7.677 1.00 0.00 O ATOM 510 CB ILE A 31 3.517 -5.522 5.105 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.172 -5.271 3.637 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.959 -6.867 5.554 1.00 0.00 C ATOM 513 CD1 ILE A 31 3.675 -3.941 3.114 1.00 0.00 C ATOM 0 H ILE A 31 4.863 -3.480 5.709 1.00 0.00 H new ATOM 0 HA ILE A 31 2.042 -4.013 5.558 1.00 0.00 H new ATOM 0 HB ILE A 31 4.601 -5.555 5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.594 -6.073 3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.090 -5.314 3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.355 -7.657 4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.250 -7.055 6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.872 -6.853 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.394 -3.832 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.233 -3.131 3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.761 -3.902 3.204 1.00 0.00 H new ATOM 525 N LEU A 32 3.654 -4.587 8.308 1.00 0.00 N ATOM 526 CA LEU A 32 3.525 -5.006 9.700 1.00 0.00 C ATOM 527 C LEU A 32 2.506 -4.140 10.443 1.00 0.00 C ATOM 528 O LEU A 32 1.932 -4.567 11.442 1.00 0.00 O ATOM 529 CB LEU A 32 4.895 -4.935 10.391 1.00 0.00 C ATOM 530 CG LEU A 32 4.891 -4.424 11.836 1.00 0.00 C ATOM 531 CD1 LEU A 32 6.121 -4.919 12.582 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.825 -2.903 11.860 1.00 0.00 C ATOM 0 H LEU A 32 4.512 -4.076 8.100 1.00 0.00 H new ATOM 0 HA LEU A 32 3.166 -6.035 9.721 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.338 -5.931 10.380 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.545 -4.290 9.800 1.00 0.00 H new ATOM 0 HG LEU A 32 4.007 -4.816 12.339 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.100 -4.546 13.606 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.126 -6.009 12.593 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.020 -4.557 12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.823 -2.555 12.893 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.691 -2.493 11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.913 -2.570 11.363 1.00 0.00 H new ATOM 544 N THR A 33 2.299 -2.920 9.958 1.00 0.00 N ATOM 545 CA THR A 33 1.361 -1.998 10.589 1.00 0.00 C ATOM 546 C THR A 33 -0.047 -2.142 10.013 1.00 0.00 C ATOM 547 O THR A 33 -1.029 -1.763 10.652 1.00 0.00 O ATOM 548 CB THR A 33 1.848 -0.558 10.414 1.00 0.00 C ATOM 549 OG1 THR A 33 3.146 -0.400 10.956 1.00 0.00 O ATOM 550 CG2 THR A 33 0.949 0.467 11.071 1.00 0.00 C ATOM 0 H THR A 33 2.767 -2.547 9.132 1.00 0.00 H new ATOM 0 HA THR A 33 1.315 -2.245 11.650 1.00 0.00 H new ATOM 0 HB THR A 33 1.843 -0.382 9.338 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.813 -0.685 10.297 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.355 1.465 10.907 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.050 0.406 10.638 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.893 0.269 12.141 1.00 0.00 H new ATOM 558 N LEU A 34 -0.140 -2.678 8.801 1.00 0.00 N ATOM 559 CA LEU A 34 -1.432 -2.850 8.142 1.00 0.00 C ATOM 560 C LEU A 34 -2.058 -4.209 8.453 1.00 0.00 C ATOM 561 O LEU A 34 -3.262 -4.309 8.682 1.00 0.00 O ATOM 562 CB LEU A 34 -1.268 -2.694 6.629 1.00 0.00 C ATOM 563 CG LEU A 34 -0.628 -1.380 6.181 1.00 0.00 C ATOM 564 CD1 LEU A 34 0.003 -1.537 4.808 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.661 -0.261 6.172 1.00 0.00 C ATOM 0 H LEU A 34 0.660 -3.000 8.256 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.101 -2.080 8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.663 -3.521 6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.249 -2.781 6.161 1.00 0.00 H new ATOM 0 HG LEU A 34 0.157 -1.117 6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.454 -0.592 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.771 -2.310 4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.762 -1.822 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.189 0.667 5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.467 -0.515 5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.068 -0.133 7.175 1.00 0.00 H new ATOM 577 N ARG A 35 -1.240 -5.256 8.434 1.00 0.00 N ATOM 578 CA ARG A 35 -1.724 -6.611 8.686 1.00 0.00 C ATOM 579 C ARG A 35 -1.954 -6.884 10.171 1.00 0.00 C ATOM 580 O ARG A 35 -2.925 -7.545 10.539 1.00 0.00 O ATOM 581 CB ARG A 35 -0.740 -7.632 8.115 1.00 0.00 C ATOM 582 CG ARG A 35 -0.474 -7.447 6.631 1.00 0.00 C ATOM 583 CD ARG A 35 0.194 -8.672 6.025 1.00 0.00 C ATOM 584 NE ARG A 35 0.061 -8.704 4.570 1.00 0.00 N ATOM 585 CZ ARG A 35 0.832 -9.436 3.773 1.00 0.00 C ATOM 586 NH1 ARG A 35 1.790 -10.201 4.281 1.00 0.00 N ATOM 587 NH2 ARG A 35 0.646 -9.405 2.459 1.00 0.00 N ATOM 0 H ARG A 35 -0.239 -5.194 8.247 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.689 -6.706 8.187 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.203 -7.560 8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.130 -8.636 8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.413 -7.251 6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.161 -6.574 6.481 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.251 -8.679 6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.248 -9.573 6.449 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.666 -8.131 4.141 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.938 -10.230 5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.378 -10.760 3.663 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.089 -8.819 2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.238 -9.967 1.847 1.00 0.00 H new ATOM 601 N LYS A 36 -1.057 -6.398 11.022 1.00 0.00 N ATOM 602 CA LYS A 36 -1.180 -6.622 12.463 1.00 0.00 C ATOM 603 C LYS A 36 -2.548 -6.189 12.981 1.00 0.00 C ATOM 604 O LYS A 36 -3.267 -6.984 13.586 1.00 0.00 O ATOM 605 CB LYS A 36 -0.079 -5.875 13.216 1.00 0.00 C ATOM 606 CG LYS A 36 1.183 -6.699 13.423 1.00 0.00 C ATOM 607 CD LYS A 36 1.743 -6.527 14.828 1.00 0.00 C ATOM 608 CE LYS A 36 3.137 -5.917 14.804 1.00 0.00 C ATOM 609 NZ LYS A 36 3.115 -4.464 15.131 1.00 0.00 N ATOM 0 H LYS A 36 -0.242 -5.850 10.745 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.073 -7.692 12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.175 -4.968 12.667 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.462 -5.562 14.187 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.964 -7.752 13.245 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.935 -6.402 12.692 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.077 -5.891 15.411 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.777 -7.495 15.328 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.774 -6.440 15.518 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.579 -6.060 13.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.084 -4.087 15.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.528 -3.960 14.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.717 -4.328 16.082 1.00 0.00 H new ATOM 623 N LYS A 37 -2.903 -4.926 12.731 1.00 0.00 N ATOM 624 CA LYS A 37 -4.192 -4.370 13.163 1.00 0.00 C ATOM 625 C LYS A 37 -4.129 -2.846 13.259 1.00 0.00 C ATOM 626 O LYS A 37 -5.160 -2.174 13.239 1.00 0.00 O ATOM 627 CB LYS A 37 -4.619 -4.938 14.523 1.00 0.00 C ATOM 628 CG LYS A 37 -3.488 -5.010 15.537 1.00 0.00 C ATOM 629 CD LYS A 37 -3.944 -4.564 16.917 1.00 0.00 C ATOM 630 CE LYS A 37 -4.223 -5.753 17.823 1.00 0.00 C ATOM 631 NZ LYS A 37 -5.453 -6.486 17.415 1.00 0.00 N ATOM 0 H LYS A 37 -2.312 -4.264 12.228 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.928 -4.655 12.411 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.421 -4.321 14.929 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.029 -5.937 14.377 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.111 -6.031 15.590 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.661 -4.382 15.206 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.178 -3.933 17.368 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.844 -3.956 16.825 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.371 -6.433 17.802 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.330 -5.408 18.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.608 -7.289 18.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.270 -5.844 17.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.341 -6.837 16.443 1.00 0.00 H new ATOM 645 N GLU A 38 -2.918 -2.305 13.368 1.00 0.00 N ATOM 646 CA GLU A 38 -2.731 -0.862 13.472 1.00 0.00 C ATOM 647 C GLU A 38 -3.453 -0.129 12.341 1.00 0.00 C ATOM 648 O GLU A 38 -3.203 -0.391 11.164 1.00 0.00 O ATOM 649 CB GLU A 38 -1.241 -0.521 13.443 1.00 0.00 C ATOM 650 CG GLU A 38 -0.884 0.722 14.243 1.00 0.00 C ATOM 651 CD GLU A 38 -0.291 0.392 15.599 1.00 0.00 C ATOM 652 OE1 GLU A 38 0.794 -0.226 15.638 1.00 0.00 O ATOM 653 OE2 GLU A 38 -0.912 0.750 16.621 1.00 0.00 O ATOM 0 H GLU A 38 -2.053 -2.845 13.387 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.158 -0.535 14.420 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.676 -1.368 13.832 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.930 -0.378 12.408 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.173 1.323 13.676 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.778 1.331 14.380 1.00 0.00 H new ATOM 660 N PRO A 39 -4.361 0.805 12.680 1.00 0.00 N ATOM 661 CA PRO A 39 -5.113 1.570 11.681 1.00 0.00 C ATOM 662 C PRO A 39 -4.263 2.649 11.020 1.00 0.00 C ATOM 663 O PRO A 39 -3.207 3.023 11.531 1.00 0.00 O ATOM 664 CB PRO A 39 -6.238 2.202 12.499 1.00 0.00 C ATOM 665 CG PRO A 39 -5.665 2.353 13.866 1.00 0.00 C ATOM 666 CD PRO A 39 -4.729 1.189 14.057 1.00 0.00 C ATOM 0 HA PRO A 39 -5.463 0.942 10.861 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.537 3.165 12.085 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.126 1.570 12.508 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.134 3.300 13.964 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.451 2.349 14.621 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.853 1.471 14.641 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.214 0.368 14.585 1.00 0.00 H new ATOM 674 N LEU A 40 -4.732 3.149 9.881 1.00 0.00 N ATOM 675 CA LEU A 40 -4.016 4.188 9.151 1.00 0.00 C ATOM 676 C LEU A 40 -4.535 5.571 9.532 1.00 0.00 C ATOM 677 O LEU A 40 -5.602 5.989 9.085 1.00 0.00 O ATOM 678 CB LEU A 40 -4.159 3.973 7.643 1.00 0.00 C ATOM 679 CG LEU A 40 -3.545 2.676 7.113 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.952 2.446 5.666 1.00 0.00 C ATOM 681 CD2 LEU A 40 -2.029 2.711 7.246 1.00 0.00 C ATOM 0 H LEU A 40 -5.604 2.851 9.444 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.961 4.127 9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.219 3.986 7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.697 4.814 7.126 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.922 1.846 7.710 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.506 1.519 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.038 2.376 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.604 3.278 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.609 1.781 6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.633 3.550 6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.758 2.828 8.295 1.00 0.00 H new ATOM 693 N ASP A 41 -3.773 6.275 10.363 1.00 0.00 N ATOM 694 CA ASP A 41 -4.156 7.611 10.806 1.00 0.00 C ATOM 695 C ASP A 41 -4.367 8.543 9.615 1.00 0.00 C ATOM 696 O ASP A 41 -3.775 8.349 8.552 1.00 0.00 O ATOM 697 CB ASP A 41 -3.089 8.187 11.738 1.00 0.00 C ATOM 698 CG ASP A 41 -2.931 7.375 13.008 1.00 0.00 C ATOM 699 OD1 ASP A 41 -3.875 7.363 13.828 1.00 0.00 O ATOM 700 OD2 ASP A 41 -1.864 6.751 13.186 1.00 0.00 O ATOM 0 H ASP A 41 -2.887 5.943 10.743 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.098 7.530 11.349 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.134 8.225 11.213 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.352 9.213 11.996 1.00 0.00 H new ATOM 705 N PRO A 42 -5.214 9.574 9.780 1.00 0.00 N ATOM 706 CA PRO A 42 -5.499 10.539 8.712 1.00 0.00 C ATOM 707 C PRO A 42 -4.302 11.433 8.396 1.00 0.00 C ATOM 708 O PRO A 42 -4.307 12.161 7.405 1.00 0.00 O ATOM 709 CB PRO A 42 -6.650 11.372 9.283 1.00 0.00 C ATOM 710 CG PRO A 42 -6.508 11.253 10.760 1.00 0.00 C ATOM 711 CD PRO A 42 -5.959 9.878 11.015 1.00 0.00 C ATOM 0 HA PRO A 42 -5.737 10.042 7.771 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.584 12.411 8.962 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.616 10.995 8.947 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.838 12.019 11.150 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.469 11.387 11.256 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.310 9.860 11.891 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.754 9.154 11.193 1.00 0.00 H new ATOM 719 N GLN A 43 -3.277 11.371 9.243 1.00 0.00 N ATOM 720 CA GLN A 43 -2.077 12.179 9.046 1.00 0.00 C ATOM 721 C GLN A 43 -1.088 11.487 8.106 1.00 0.00 C ATOM 722 O GLN A 43 0.028 11.970 7.906 1.00 0.00 O ATOM 723 CB GLN A 43 -1.405 12.462 10.391 1.00 0.00 C ATOM 724 CG GLN A 43 -1.059 11.206 11.175 1.00 0.00 C ATOM 725 CD GLN A 43 0.406 11.143 11.559 1.00 0.00 C ATOM 726 OE1 GLN A 43 0.843 11.810 12.495 1.00 0.00 O ATOM 727 NE2 GLN A 43 1.173 10.337 10.834 1.00 0.00 N ATOM 0 H GLN A 43 -3.253 10.772 10.069 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.380 13.120 8.588 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.494 13.035 10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.065 13.086 10.993 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.669 11.166 12.077 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.313 10.329 10.579 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.768 9.802 10.066 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.167 10.253 11.045 1.00 0.00 H new ATOM 736 N PHE A 44 -1.498 10.359 7.531 1.00 0.00 N ATOM 737 CA PHE A 44 -0.641 9.615 6.613 1.00 0.00 C ATOM 738 C PHE A 44 -0.732 10.173 5.192 1.00 0.00 C ATOM 739 O PHE A 44 -0.119 9.636 4.268 1.00 0.00 O ATOM 740 CB PHE A 44 -1.024 8.134 6.616 1.00 0.00 C ATOM 741 CG PHE A 44 -0.364 7.346 7.709 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.997 7.462 7.940 1.00 0.00 C ATOM 743 CD2 PHE A 44 -1.104 6.488 8.507 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.607 6.738 8.947 1.00 0.00 C ATOM 745 CE2 PHE A 44 -0.500 5.761 9.514 1.00 0.00 C ATOM 746 CZ PHE A 44 0.859 5.887 9.735 1.00 0.00 C ATOM 0 H PHE A 44 -2.416 9.941 7.684 1.00 0.00 H new ATOM 0 HA PHE A 44 0.388 9.722 6.955 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.106 8.047 6.719 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.759 7.697 5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.588 8.126 7.326 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.166 6.387 8.339 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.669 6.838 9.117 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.088 5.095 10.128 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.334 5.321 10.522 1.00 0.00 H new ATOM 756 N GLN A 45 -1.498 11.248 5.019 1.00 0.00 N ATOM 757 CA GLN A 45 -1.661 11.868 3.710 1.00 0.00 C ATOM 758 C GLN A 45 -2.304 10.900 2.722 1.00 0.00 C ATOM 759 O GLN A 45 -1.921 10.842 1.556 1.00 0.00 O ATOM 760 CB GLN A 45 -0.309 12.343 3.175 1.00 0.00 C ATOM 761 CG GLN A 45 0.454 13.228 4.149 1.00 0.00 C ATOM 762 CD GLN A 45 1.929 12.884 4.216 1.00 0.00 C ATOM 763 OE1 GLN A 45 2.586 12.708 3.190 1.00 0.00 O ATOM 764 NE2 GLN A 45 2.459 12.788 5.430 1.00 0.00 N ATOM 0 H GLN A 45 -2.015 11.706 5.770 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.320 12.729 3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.302 11.474 2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.467 12.891 2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.341 14.271 3.852 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.016 13.130 5.142 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.878 12.942 6.254 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.447 12.560 5.538 1.00 0.00 H new ATOM 773 N ASP A 46 -3.287 10.142 3.200 1.00 0.00 N ATOM 774 CA ASP A 46 -3.985 9.177 2.358 1.00 0.00 C ATOM 775 C ASP A 46 -5.014 9.875 1.474 1.00 0.00 C ATOM 776 O ASP A 46 -6.183 9.995 1.842 1.00 0.00 O ATOM 777 CB ASP A 46 -4.672 8.117 3.222 1.00 0.00 C ATOM 778 CG ASP A 46 -5.650 8.722 4.210 1.00 0.00 C ATOM 779 OD1 ASP A 46 -5.230 9.582 5.011 1.00 0.00 O ATOM 780 OD2 ASP A 46 -6.838 8.334 4.183 1.00 0.00 O ATOM 0 H ASP A 46 -3.617 10.178 4.164 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.250 8.691 1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.199 7.413 2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.916 7.549 3.764 1.00 0.00 H new ATOM 785 N HIS A 47 -4.569 10.337 0.310 1.00 0.00 N ATOM 786 CA HIS A 47 -5.452 11.025 -0.626 1.00 0.00 C ATOM 787 C HIS A 47 -5.504 10.298 -1.964 1.00 0.00 C ATOM 788 O HIS A 47 -4.800 9.310 -2.174 1.00 0.00 O ATOM 789 CB HIS A 47 -4.983 12.466 -0.835 1.00 0.00 C ATOM 790 CG HIS A 47 -3.505 12.594 -1.040 1.00 0.00 C ATOM 791 ND1 HIS A 47 -2.730 11.589 -1.582 1.00 0.00 N ATOM 792 CD2 HIS A 47 -2.659 13.616 -0.771 1.00 0.00 C ATOM 793 CE1 HIS A 47 -1.472 11.988 -1.636 1.00 0.00 C ATOM 794 NE2 HIS A 47 -1.402 13.214 -1.151 1.00 0.00 N ATOM 0 H HIS A 47 -3.604 10.248 -0.008 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.455 11.033 -0.199 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -5.498 12.885 -1.699 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.274 13.063 0.030 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.923 14.570 -0.338 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.642 11.410 -2.013 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.552 13.772 -1.071 1.00 0.00 H new ATOM 803 N ALA A 48 -6.344 10.794 -2.868 1.00 0.00 N ATOM 804 CA ALA A 48 -6.487 10.193 -4.188 1.00 0.00 C ATOM 805 C ALA A 48 -5.169 10.230 -4.954 1.00 0.00 C ATOM 806 O ALA A 48 -4.183 10.799 -4.484 1.00 0.00 O ATOM 807 CB ALA A 48 -7.576 10.906 -4.975 1.00 0.00 C ATOM 0 H ALA A 48 -6.935 11.610 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.771 9.149 -4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.673 10.448 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.523 10.824 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.313 11.958 -5.089 1.00 0.00 H new ATOM 813 N LEU A 49 -5.160 9.620 -6.134 1.00 0.00 N ATOM 814 CA LEU A 49 -3.963 9.584 -6.965 1.00 0.00 C ATOM 815 C LEU A 49 -4.171 10.383 -8.249 1.00 0.00 C ATOM 816 O LEU A 49 -5.210 11.014 -8.436 1.00 0.00 O ATOM 817 CB LEU A 49 -3.596 8.135 -7.300 1.00 0.00 C ATOM 818 CG LEU A 49 -2.496 7.529 -6.424 1.00 0.00 C ATOM 819 CD1 LEU A 49 -2.895 6.140 -5.945 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.178 7.475 -7.182 1.00 0.00 C ATOM 0 H LEU A 49 -5.968 9.144 -6.536 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.144 10.038 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.491 7.519 -7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.278 8.088 -8.342 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.364 8.167 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.100 5.727 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.813 6.206 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.058 5.491 -6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.408 7.041 -6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.297 6.861 -8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.883 8.484 -7.472 1.00 0.00 H new ATOM 832 N LYS A 50 -3.176 10.351 -9.130 1.00 0.00 N ATOM 833 CA LYS A 50 -3.252 11.075 -10.394 1.00 0.00 C ATOM 834 C LYS A 50 -2.770 10.204 -11.549 1.00 0.00 C ATOM 835 O LYS A 50 -2.023 9.247 -11.349 1.00 0.00 O ATOM 836 CB LYS A 50 -2.419 12.356 -10.322 1.00 0.00 C ATOM 837 CG LYS A 50 -2.759 13.238 -9.129 1.00 0.00 C ATOM 838 CD LYS A 50 -3.909 14.184 -9.443 1.00 0.00 C ATOM 839 CE LYS A 50 -5.017 14.083 -8.406 1.00 0.00 C ATOM 840 NZ LYS A 50 -6.214 13.378 -8.939 1.00 0.00 N ATOM 0 H LYS A 50 -2.309 9.832 -8.992 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.295 11.338 -10.572 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.363 12.091 -10.278 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.566 12.927 -11.239 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.024 12.612 -8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.881 13.815 -8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.538 15.208 -9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.311 13.954 -10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.645 13.554 -7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.301 15.083 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.073 13.789 -8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.247 13.483 -9.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.159 12.368 -8.696 1.00 0.00 H new ATOM 854 N GLY A 51 -3.203 10.543 -12.760 1.00 0.00 N ATOM 855 CA GLY A 51 -2.806 9.781 -13.930 1.00 0.00 C ATOM 856 C GLY A 51 -3.747 8.629 -14.221 1.00 0.00 C ATOM 857 O GLY A 51 -4.926 8.840 -14.510 1.00 0.00 O ATOM 0 H GLY A 51 -3.821 11.331 -12.951 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.769 10.443 -14.795 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.798 9.394 -13.782 1.00 0.00 H new ATOM 861 N LYS A 52 -3.228 7.408 -14.142 1.00 0.00 N ATOM 862 CA LYS A 52 -4.031 6.219 -14.400 1.00 0.00 C ATOM 863 C LYS A 52 -4.771 5.775 -13.141 1.00 0.00 C ATOM 864 O LYS A 52 -5.809 5.119 -13.219 1.00 0.00 O ATOM 865 CB LYS A 52 -3.146 5.081 -14.914 1.00 0.00 C ATOM 866 CG LYS A 52 -3.787 4.270 -16.027 1.00 0.00 C ATOM 867 CD LYS A 52 -4.025 5.116 -17.268 1.00 0.00 C ATOM 868 CE LYS A 52 -5.476 5.559 -17.372 1.00 0.00 C ATOM 869 NZ LYS A 52 -5.973 5.509 -18.775 1.00 0.00 N ATOM 0 H LYS A 52 -2.255 7.216 -13.901 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.769 6.469 -15.162 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.205 5.497 -15.274 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.904 4.417 -14.084 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.146 3.425 -16.279 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.734 3.858 -15.679 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.377 5.992 -17.242 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.753 4.545 -18.156 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.097 4.920 -16.744 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.574 6.574 -16.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.966 5.818 -18.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.397 6.138 -19.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.904 4.535 -19.133 1.00 0.00 H new ATOM 883 N TRP A 53 -4.232 6.139 -11.980 1.00 0.00 N ATOM 884 CA TRP A 53 -4.844 5.777 -10.707 1.00 0.00 C ATOM 885 C TRP A 53 -5.693 6.924 -10.166 1.00 0.00 C ATOM 886 O TRP A 53 -5.792 7.119 -8.955 1.00 0.00 O ATOM 887 CB TRP A 53 -3.769 5.399 -9.686 1.00 0.00 C ATOM 888 CG TRP A 53 -2.686 4.533 -10.252 1.00 0.00 C ATOM 889 CD1 TRP A 53 -1.339 4.726 -10.138 1.00 0.00 C ATOM 890 CD2 TRP A 53 -2.857 3.339 -11.024 1.00 0.00 C ATOM 891 NE1 TRP A 53 -0.663 3.724 -10.792 1.00 0.00 N ATOM 892 CE2 TRP A 53 -1.574 2.861 -11.343 1.00 0.00 C ATOM 893 CE3 TRP A 53 -3.973 2.628 -11.475 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -1.374 1.704 -12.093 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -3.774 1.480 -12.219 1.00 0.00 C ATOM 896 CH2 TRP A 53 -2.483 1.028 -12.521 1.00 0.00 C ATOM 0 H TRP A 53 -3.374 6.684 -11.896 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.491 4.916 -10.877 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.323 6.310 -9.286 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.239 4.880 -8.851 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.873 5.546 -9.611 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.351 3.637 -10.857 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.972 2.969 -11.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.380 1.354 -12.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.628 0.922 -12.573 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.361 0.127 -13.104 1.00 0.00 H new ATOM 907 N LYS A 54 -6.302 7.680 -11.074 1.00 0.00 N ATOM 908 CA LYS A 54 -7.142 8.810 -10.693 1.00 0.00 C ATOM 909 C LYS A 54 -8.284 8.372 -9.775 1.00 0.00 C ATOM 910 O LYS A 54 -8.502 8.970 -8.721 1.00 0.00 O ATOM 911 CB LYS A 54 -7.706 9.496 -11.937 1.00 0.00 C ATOM 912 CG LYS A 54 -7.767 11.010 -11.822 1.00 0.00 C ATOM 913 CD LYS A 54 -8.404 11.639 -13.051 1.00 0.00 C ATOM 914 CE LYS A 54 -7.882 13.046 -13.289 1.00 0.00 C ATOM 915 NZ LYS A 54 -8.511 14.035 -12.371 1.00 0.00 N ATOM 0 H LYS A 54 -6.229 7.530 -12.080 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.519 9.517 -10.145 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.093 9.230 -12.798 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.709 9.114 -12.129 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.337 11.285 -10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.760 11.406 -11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.199 11.021 -13.925 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.487 11.667 -12.927 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.801 13.060 -13.152 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.076 13.335 -14.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.128 14.982 -12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.540 14.041 -12.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.305 13.774 -11.386 1.00 0.00 H new ATOM 929 N PRO A 55 -9.036 7.324 -10.162 1.00 0.00 N ATOM 930 CA PRO A 55 -10.157 6.827 -9.362 1.00 0.00 C ATOM 931 C PRO A 55 -9.711 5.990 -8.164 1.00 0.00 C ATOM 932 O PRO A 55 -10.542 5.436 -7.443 1.00 0.00 O ATOM 933 CB PRO A 55 -10.935 5.967 -10.355 1.00 0.00 C ATOM 934 CG PRO A 55 -9.906 5.468 -11.308 1.00 0.00 C ATOM 935 CD PRO A 55 -8.859 6.549 -11.407 1.00 0.00 C ATOM 0 HA PRO A 55 -10.735 7.642 -8.926 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.443 5.143 -9.853 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.701 6.549 -10.868 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.468 4.535 -10.954 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.347 5.263 -12.284 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.856 6.129 -11.478 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.008 7.171 -12.290 1.00 0.00 H new ATOM 943 N PHE A 56 -8.400 5.897 -7.950 1.00 0.00 N ATOM 944 CA PHE A 56 -7.864 5.125 -6.835 1.00 0.00 C ATOM 945 C PHE A 56 -7.333 6.045 -5.741 1.00 0.00 C ATOM 946 O PHE A 56 -7.303 7.265 -5.904 1.00 0.00 O ATOM 947 CB PHE A 56 -6.753 4.191 -7.319 1.00 0.00 C ATOM 948 CG PHE A 56 -7.219 3.178 -8.324 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.398 3.531 -9.652 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.476 1.871 -7.941 1.00 0.00 C ATOM 951 CE1 PHE A 56 -7.827 2.600 -10.579 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.905 0.936 -8.865 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.079 1.301 -10.184 1.00 0.00 C ATOM 0 H PHE A 56 -7.693 6.345 -8.533 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.674 4.526 -6.418 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.954 4.787 -7.759 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.327 3.671 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.200 4.545 -9.966 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.340 1.580 -6.910 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.965 2.888 -11.611 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.104 -0.079 -8.554 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.412 0.571 -10.907 1.00 0.00 H new ATOM 963 N ARG A 57 -6.916 5.453 -4.627 1.00 0.00 N ATOM 964 CA ARG A 57 -6.387 6.220 -3.505 1.00 0.00 C ATOM 965 C ARG A 57 -5.011 5.706 -3.095 1.00 0.00 C ATOM 966 O ARG A 57 -4.704 4.524 -3.257 1.00 0.00 O ATOM 967 CB ARG A 57 -7.346 6.149 -2.314 1.00 0.00 C ATOM 968 CG ARG A 57 -6.919 7.010 -1.136 1.00 0.00 C ATOM 969 CD ARG A 57 -8.120 7.517 -0.354 1.00 0.00 C ATOM 970 NE ARG A 57 -8.467 8.889 -0.714 1.00 0.00 N ATOM 971 CZ ARG A 57 -9.473 9.567 -0.168 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.235 9.003 0.762 1.00 0.00 N ATOM 973 NH2 ARG A 57 -9.722 10.811 -0.553 1.00 0.00 N ATOM 0 H ARG A 57 -6.934 4.444 -4.477 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.288 7.258 -3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.339 6.459 -2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.428 5.113 -1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.272 6.432 -0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.334 7.856 -1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.975 6.866 -0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.906 7.465 0.713 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.905 9.355 -1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.050 8.045 1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.005 9.527 1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.142 11.249 -1.269 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.494 11.330 -0.134 1.00 0.00 H new ATOM 987 N GLU A 58 -4.185 6.600 -2.561 1.00 0.00 N ATOM 988 CA GLU A 58 -2.841 6.241 -2.127 1.00 0.00 C ATOM 989 C GLU A 58 -2.723 6.311 -0.607 1.00 0.00 C ATOM 990 O GLU A 58 -3.637 6.771 0.076 1.00 0.00 O ATOM 991 CB GLU A 58 -1.809 7.166 -2.775 1.00 0.00 C ATOM 992 CG GLU A 58 -0.560 6.448 -3.258 1.00 0.00 C ATOM 993 CD GLU A 58 0.430 7.382 -3.924 1.00 0.00 C ATOM 994 OE1 GLU A 58 -0.015 8.328 -4.607 1.00 0.00 O ATOM 995 OE2 GLU A 58 1.649 7.167 -3.763 1.00 0.00 O ATOM 0 H GLU A 58 -4.425 7.581 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.646 5.216 -2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.272 7.677 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.521 7.933 -2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.078 5.957 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.845 5.665 -3.961 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.592 5.850 -0.085 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.353 5.861 1.355 1.00 0.00 C ATOM 1004 C CYS A 59 0.143 5.835 1.656 1.00 0.00 C ATOM 1005 O CYS A 59 0.836 4.874 1.325 1.00 0.00 O ATOM 1006 CB CYS A 59 -2.042 4.666 2.018 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.907 5.072 3.553 1.00 0.00 S ATOM 0 H CYS A 59 -0.826 5.464 -0.637 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.772 6.781 1.762 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.755 4.235 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.296 3.899 2.226 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.189 4.963 3.370 1.00 0.00 H new ATOM 1013 N HIS A 60 0.632 6.897 2.285 1.00 0.00 N ATOM 1014 CA HIS A 60 2.046 6.999 2.630 1.00 0.00 C ATOM 1015 C HIS A 60 2.294 6.546 4.066 1.00 0.00 C ATOM 1016 O HIS A 60 2.420 7.369 4.973 1.00 0.00 O ATOM 1017 CB HIS A 60 2.535 8.436 2.447 1.00 0.00 C ATOM 1018 CG HIS A 60 2.416 8.935 1.040 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.437 9.591 0.385 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.387 8.873 0.161 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.043 9.911 -0.834 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.804 9.487 -0.995 1.00 0.00 N ATOM 0 H HIS A 60 0.070 7.700 2.567 1.00 0.00 H new ATOM 0 HA HIS A 60 2.603 6.343 1.961 1.00 0.00 H new ATOM 0 HB2 HIS A 60 1.965 9.092 3.106 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.578 8.499 2.759 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.420 8.425 0.336 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.634 10.431 -1.573 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.246 9.597 -1.841 1.00 0.00 H new ATOM 1031 N ILE A 61 2.366 5.234 4.265 1.00 0.00 N ATOM 1032 CA ILE A 61 2.604 4.674 5.590 1.00 0.00 C ATOM 1033 C ILE A 61 4.006 5.010 6.082 1.00 0.00 C ATOM 1034 O ILE A 61 4.211 5.298 7.261 1.00 0.00 O ATOM 1035 CB ILE A 61 2.430 3.142 5.594 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.106 2.755 4.931 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.500 2.600 7.016 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.251 2.347 3.481 1.00 0.00 C ATOM 0 H ILE A 61 2.263 4.539 3.526 1.00 0.00 H new ATOM 0 HA ILE A 61 1.866 5.119 6.258 1.00 0.00 H new ATOM 0 HB ILE A 61 3.244 2.698 5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.657 1.933 5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.417 3.597 4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.375 1.517 6.999 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.468 2.847 7.452 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.707 3.047 7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.273 2.086 3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.671 3.175 2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.914 1.485 3.410 1.00 0.00 H new ATOM 1050 N LYS A 62 4.968 4.968 5.167 1.00 0.00 N ATOM 1051 CA LYS A 62 6.356 5.263 5.498 1.00 0.00 C ATOM 1052 C LYS A 62 6.883 6.415 4.644 1.00 0.00 C ATOM 1053 O LYS A 62 6.244 6.816 3.672 1.00 0.00 O ATOM 1054 CB LYS A 62 7.220 4.017 5.282 1.00 0.00 C ATOM 1055 CG LYS A 62 7.410 3.184 6.538 1.00 0.00 C ATOM 1056 CD LYS A 62 8.817 2.614 6.619 1.00 0.00 C ATOM 1057 CE LYS A 62 9.235 2.369 8.060 1.00 0.00 C ATOM 1058 NZ LYS A 62 9.354 3.640 8.828 1.00 0.00 N ATOM 0 H LYS A 62 4.811 4.732 4.187 1.00 0.00 H new ATOM 0 HA LYS A 62 6.405 5.559 6.546 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.763 3.397 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.197 4.323 4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.214 3.798 7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.685 2.370 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.865 1.679 6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.518 3.303 6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.506 1.719 8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.190 1.844 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.015 3.507 9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.710 4.391 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.421 3.911 9.198 1.00 0.00 H new ATOM 1072 N PRO A 63 8.061 6.962 4.994 1.00 0.00 N ATOM 1073 CA PRO A 63 8.665 8.071 4.245 1.00 0.00 C ATOM 1074 C PRO A 63 9.160 7.652 2.863 1.00 0.00 C ATOM 1075 O PRO A 63 9.654 8.477 2.095 1.00 0.00 O ATOM 1076 CB PRO A 63 9.838 8.502 5.127 1.00 0.00 C ATOM 1077 CG PRO A 63 10.188 7.285 5.911 1.00 0.00 C ATOM 1078 CD PRO A 63 8.896 6.552 6.139 1.00 0.00 C ATOM 0 HA PRO A 63 7.943 8.865 4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.681 8.842 4.526 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.559 9.328 5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.899 6.662 5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.657 7.553 6.858 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.045 5.473 6.161 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.439 6.830 7.089 1.00 0.00 H new ATOM 1086 N ASP A 64 9.020 6.370 2.555 1.00 0.00 N ATOM 1087 CA ASP A 64 9.444 5.837 1.266 1.00 0.00 C ATOM 1088 C ASP A 64 8.494 4.741 0.795 1.00 0.00 C ATOM 1089 O ASP A 64 8.884 3.848 0.044 1.00 0.00 O ATOM 1090 CB ASP A 64 10.870 5.289 1.361 1.00 0.00 C ATOM 1091 CG ASP A 64 11.040 4.316 2.513 1.00 0.00 C ATOM 1092 OD1 ASP A 64 10.018 3.783 2.994 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.194 4.089 2.931 1.00 0.00 O ATOM 0 H ASP A 64 8.614 5.676 3.183 1.00 0.00 H new ATOM 0 HA ASP A 64 9.424 6.649 0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.128 4.790 0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.567 6.118 1.483 1.00 0.00 H new ATOM 1098 N VAL A 65 7.243 4.815 1.244 1.00 0.00 N ATOM 1099 CA VAL A 65 6.236 3.829 0.870 1.00 0.00 C ATOM 1100 C VAL A 65 4.935 4.505 0.450 1.00 0.00 C ATOM 1101 O VAL A 65 4.517 5.499 1.045 1.00 0.00 O ATOM 1102 CB VAL A 65 5.945 2.853 2.028 1.00 0.00 C ATOM 1103 CG1 VAL A 65 4.872 1.849 1.634 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.218 2.140 2.451 1.00 0.00 C ATOM 0 H VAL A 65 6.904 5.548 1.867 1.00 0.00 H new ATOM 0 HA VAL A 65 6.640 3.269 0.027 1.00 0.00 H new ATOM 0 HB VAL A 65 5.573 3.428 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.684 1.171 2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.953 2.378 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.209 1.277 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.996 1.455 3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.619 1.579 1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.953 2.874 2.781 1.00 0.00 H new ATOM 1114 N LEU A 66 4.299 3.953 -0.575 1.00 0.00 N ATOM 1115 CA LEU A 66 3.041 4.492 -1.079 1.00 0.00 C ATOM 1116 C LEU A 66 2.259 3.419 -1.830 1.00 0.00 C ATOM 1117 O LEU A 66 2.472 3.204 -3.024 1.00 0.00 O ATOM 1118 CB LEU A 66 3.285 5.699 -2.000 1.00 0.00 C ATOM 1119 CG LEU A 66 4.724 6.225 -2.050 1.00 0.00 C ATOM 1120 CD1 LEU A 66 5.034 6.795 -3.426 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.946 7.278 -0.972 1.00 0.00 C ATOM 0 H LEU A 66 4.634 3.130 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 66 2.456 4.823 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.983 5.426 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.633 6.512 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 66 5.402 5.393 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.059 7.164 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.916 6.015 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.349 7.615 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.973 7.640 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.260 8.110 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.764 6.839 0.009 1.00 0.00 H new ATOM 1133 N LEU A 67 1.356 2.746 -1.125 1.00 0.00 N ATOM 1134 CA LEU A 67 0.548 1.694 -1.731 1.00 0.00 C ATOM 1135 C LEU A 67 -0.858 2.200 -2.047 1.00 0.00 C ATOM 1136 O LEU A 67 -1.478 2.889 -1.238 1.00 0.00 O ATOM 1137 CB LEU A 67 0.497 0.465 -0.807 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.810 0.256 -0.035 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.817 -0.498 -0.889 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.545 -0.490 1.264 1.00 0.00 C ATOM 0 H LEU A 67 1.165 2.909 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 67 1.013 1.399 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.686 -0.424 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.312 0.543 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.229 1.232 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.739 -0.638 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.027 0.073 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.407 -1.471 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.483 -0.631 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.105 -1.462 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.143 0.087 1.881 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.353 1.850 -3.230 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.682 2.262 -3.659 1.00 0.00 C ATOM 1154 C VAL A 68 -3.748 1.309 -3.128 1.00 0.00 C ATOM 1155 O VAL A 68 -3.544 0.096 -3.092 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.778 2.323 -5.196 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -4.125 2.878 -5.636 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.640 3.157 -5.767 1.00 0.00 C ATOM 0 H VAL A 68 -0.850 1.280 -3.910 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.856 3.258 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.691 1.308 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.167 2.911 -6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.923 2.237 -5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.251 3.885 -5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.723 3.190 -6.853 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.695 4.170 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.686 2.709 -5.489 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.884 1.865 -2.718 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.981 1.060 -2.191 1.00 0.00 C ATOM 1170 C TYR A 69 -7.330 1.639 -2.608 1.00 0.00 C ATOM 1171 O TYR A 69 -7.432 2.818 -2.950 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.895 0.974 -0.664 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.197 2.278 0.042 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.508 2.665 0.293 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -5.172 3.117 0.459 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.788 3.854 0.939 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -5.446 4.308 1.106 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.754 4.671 1.343 1.00 0.00 C ATOM 1179 OH TYR A 69 -7.028 5.855 1.988 1.00 0.00 O ATOM 0 H TYR A 69 -5.069 2.868 -2.740 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.894 0.056 -2.607 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.591 0.213 -0.313 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.894 0.644 -0.384 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.320 2.027 -0.022 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.146 2.835 0.275 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.812 4.142 1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.639 4.951 1.424 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.759 5.785 2.928 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.361 0.802 -2.580 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.703 1.232 -2.954 1.00 0.00 C ATOM 1191 C LEU A 70 -10.585 1.397 -1.720 1.00 0.00 C ATOM 1192 O LEU A 70 -10.254 0.912 -0.638 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.336 0.225 -3.918 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.168 0.841 -5.043 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.274 1.589 -6.021 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.966 -0.235 -5.766 1.00 0.00 C ATOM 0 H LEU A 70 -8.293 -0.177 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.622 2.198 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.544 -0.378 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.971 -0.452 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.867 1.552 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.884 2.020 -6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.746 2.385 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.551 0.898 -6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.552 0.221 -6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.283 -0.970 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.635 -0.728 -5.060 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.709 2.085 -1.891 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.640 2.315 -0.791 1.00 0.00 C ATOM 1210 C VAL A 71 -13.968 1.610 -1.041 1.00 0.00 C ATOM 1211 O VAL A 71 -14.686 1.934 -1.988 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.900 3.819 -0.580 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.742 4.048 0.667 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.587 4.583 -0.492 1.00 0.00 C ATOM 0 H VAL A 71 -11.998 2.493 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.178 1.906 0.107 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.455 4.195 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.914 5.116 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.698 3.537 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.217 3.655 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.792 5.643 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.002 4.205 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.025 4.449 -1.416 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.290 0.645 -0.187 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.532 -0.108 -0.315 1.00 0.00 C ATOM 1226 C LYS A 72 -16.487 0.222 0.830 1.00 0.00 C ATOM 1227 O LYS A 72 -16.111 0.896 1.790 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.243 -1.612 -0.339 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.879 -2.332 -1.516 1.00 0.00 C ATOM 1230 CD LYS A 72 -16.281 -3.751 -1.148 1.00 0.00 C ATOM 1231 CE LYS A 72 -17.544 -4.180 -1.879 1.00 0.00 C ATOM 1232 NZ LYS A 72 -17.580 -5.650 -2.114 1.00 0.00 N ATOM 0 H LYS A 72 -13.707 0.366 0.602 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.006 0.177 -1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.164 -1.766 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.604 -2.058 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.757 -1.779 -1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.179 -2.356 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.468 -4.435 -1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.442 -3.817 -0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.417 -3.884 -1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.605 -3.658 -2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.457 -5.900 -2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.761 -5.930 -2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.548 -6.148 -1.202 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.722 -0.255 0.720 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.730 -0.008 1.746 1.00 0.00 C ATOM 1248 C ASP A 73 -18.335 -0.666 3.063 1.00 0.00 C ATOM 1249 O ASP A 73 -18.455 -1.880 3.223 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.092 -0.532 1.290 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.052 -2.001 0.918 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -19.069 -2.424 0.273 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -21.003 -2.730 1.272 1.00 0.00 O ATOM 0 H ASP A 73 -18.049 -0.814 -0.068 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.797 1.069 1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.821 -0.382 2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.433 0.048 0.432 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.864 0.145 4.006 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.451 -0.359 5.311 1.00 0.00 C ATOM 1260 C ASP A 74 -16.315 -1.370 5.178 1.00 0.00 C ATOM 1261 O ASP A 74 -16.067 -2.161 6.089 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.639 -1.002 6.030 1.00 0.00 C ATOM 1263 CG ASP A 74 -18.515 -0.918 7.539 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -18.392 0.210 8.062 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -18.541 -1.979 8.197 1.00 0.00 O ATOM 0 H ASP A 74 -17.759 1.153 3.891 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.090 0.486 5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.560 -0.511 5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.718 -2.048 5.732 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.624 -1.341 4.041 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.515 -2.255 3.796 1.00 0.00 C ATOM 1272 C GLU A 75 -13.493 -1.628 2.854 1.00 0.00 C ATOM 1273 O GLU A 75 -13.852 -0.910 1.921 1.00 0.00 O ATOM 1274 CB GLU A 75 -15.030 -3.570 3.205 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.820 -4.414 4.192 1.00 0.00 C ATOM 1276 CD GLU A 75 -17.318 -4.234 4.046 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -17.810 -4.263 2.899 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -17.999 -4.064 5.079 1.00 0.00 O ATOM 0 H GLU A 75 -15.814 -0.694 3.276 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.028 -2.459 4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.660 -3.349 2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.183 -4.151 2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.569 -5.465 4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.524 -4.151 5.208 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.216 -1.902 3.106 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.141 -1.364 2.279 1.00 0.00 C ATOM 1287 C LEU A 76 -10.338 -2.487 1.632 1.00 0.00 C ATOM 1288 O LEU A 76 -10.061 -3.508 2.262 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.220 -0.477 3.120 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.073 0.178 2.348 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -8.812 1.583 2.870 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.814 -0.669 2.444 1.00 0.00 C ATOM 0 H LEU A 76 -11.901 -2.493 3.875 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.589 -0.763 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.819 0.306 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.799 -1.077 3.927 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.361 0.249 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.993 2.033 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.710 2.189 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.545 1.535 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.009 -0.188 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.523 -0.772 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.006 -1.656 2.022 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.967 -2.292 0.372 1.00 0.00 N ATOM 1305 CA ILE A 77 -9.196 -3.290 -0.362 1.00 0.00 C ATOM 1306 C ILE A 77 -7.889 -2.702 -0.884 1.00 0.00 C ATOM 1307 O ILE A 77 -7.866 -1.596 -1.422 1.00 0.00 O ATOM 1308 CB ILE A 77 -10.003 -3.863 -1.546 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.285 -2.769 -2.580 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.302 -4.482 -1.054 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.307 -2.762 -3.736 1.00 0.00 C ATOM 0 H ILE A 77 -10.187 -1.452 -0.163 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.972 -4.095 0.338 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.410 -4.643 -2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.294 -2.900 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.258 -1.798 -2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.859 -4.881 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.079 -5.288 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.901 -3.721 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.568 -1.962 -4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.298 -2.600 -3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.350 -3.719 -4.255 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.802 -3.451 -0.724 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.493 -3.005 -1.183 1.00 0.00 C ATOM 1325 C LEU A 78 -5.374 -3.147 -2.696 1.00 0.00 C ATOM 1326 O LEU A 78 -5.886 -4.101 -3.280 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.387 -3.807 -0.492 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.441 -3.802 1.036 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -3.367 -4.713 1.611 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.281 -2.386 1.568 1.00 0.00 C ATOM 0 H LEU A 78 -6.803 -4.369 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.381 -1.952 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.437 -4.839 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.421 -3.412 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.414 -4.180 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.421 -4.697 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.525 -5.731 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.385 -4.365 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.322 -2.400 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.321 -1.983 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.085 -1.760 1.183 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.697 -2.192 -3.325 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.518 -2.212 -4.772 1.00 0.00 C ATOM 1344 C LEU A 79 -3.101 -2.642 -5.145 1.00 0.00 C ATOM 1345 O LEU A 79 -2.893 -3.740 -5.661 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.825 -0.834 -5.365 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.882 -0.827 -6.471 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.485 -1.771 -7.597 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.243 -1.205 -5.908 1.00 0.00 C ATOM 0 H LEU A 79 -4.264 -1.396 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.215 -2.940 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.156 -0.175 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.902 -0.412 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.947 0.182 -6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.249 -1.752 -8.374 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.531 -1.454 -8.018 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.390 -2.784 -7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.983 -1.195 -6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.192 -2.203 -5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.530 -0.488 -5.139 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.128 -1.772 -4.886 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.737 -2.073 -5.202 1.00 0.00 C ATOM 1363 C ARG A 80 0.220 -1.290 -4.307 1.00 0.00 C ATOM 1364 O ARG A 80 -0.198 -0.428 -3.535 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.449 -1.759 -6.672 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.544 -0.279 -7.009 1.00 0.00 C ATOM 1367 CD ARG A 80 0.830 0.365 -7.092 1.00 0.00 C ATOM 1368 NE ARG A 80 1.410 0.247 -8.428 1.00 0.00 N ATOM 1369 CZ ARG A 80 2.646 0.632 -8.737 1.00 0.00 C ATOM 1370 NH1 ARG A 80 3.436 1.159 -7.809 1.00 0.00 N ATOM 1371 NH2 ARG A 80 3.094 0.490 -9.977 1.00 0.00 N ATOM 0 H ARG A 80 -2.277 -0.857 -4.460 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.577 -3.136 -5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.550 -2.117 -6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.151 -2.311 -7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.063 -0.154 -7.959 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.140 0.230 -6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.754 1.418 -6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.494 -0.103 -6.366 1.00 0.00 H new ATOM 0 HE ARG A 80 0.833 -0.154 -9.168 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.097 1.271 -6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.382 1.452 -8.051 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.491 0.086 -10.694 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.041 0.785 -10.214 1.00 0.00 H new ATOM 1385 N LEU A 81 1.509 -1.600 -4.417 1.00 0.00 N ATOM 1386 CA LEU A 81 2.530 -0.930 -3.619 1.00 0.00 C ATOM 1387 C LEU A 81 3.438 -0.077 -4.501 1.00 0.00 C ATOM 1388 O LEU A 81 3.902 -0.526 -5.549 1.00 0.00 O ATOM 1389 CB LEU A 81 3.364 -1.961 -2.854 1.00 0.00 C ATOM 1390 CG LEU A 81 4.331 -1.384 -1.815 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.534 -0.750 -2.497 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.623 -0.370 -0.927 1.00 0.00 C ATOM 0 H LEU A 81 1.871 -2.312 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 81 2.029 -0.276 -2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.686 -2.650 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.937 -2.546 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 81 4.684 -2.201 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.209 -0.346 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.057 -1.503 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.199 0.054 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.327 0.028 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.238 0.445 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.797 -0.855 -0.408 1.00 0.00 H new ATOM 1404 N GLY A 82 3.688 1.155 -4.066 1.00 0.00 N ATOM 1405 CA GLY A 82 4.540 2.050 -4.826 1.00 0.00 C ATOM 1406 C GLY A 82 5.522 2.799 -3.947 1.00 0.00 C ATOM 1407 O GLY A 82 5.440 2.737 -2.720 1.00 0.00 O ATOM 0 H GLY A 82 3.316 1.548 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.089 1.477 -5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.920 2.766 -5.366 1.00 0.00 H new ATOM 1411 N SER A 83 6.452 3.512 -4.574 1.00 0.00 N ATOM 1412 CA SER A 83 7.453 4.277 -3.840 1.00 0.00 C ATOM 1413 C SER A 83 7.619 5.671 -4.438 1.00 0.00 C ATOM 1414 O SER A 83 7.094 5.962 -5.513 1.00 0.00 O ATOM 1415 CB SER A 83 8.795 3.542 -3.848 1.00 0.00 C ATOM 1416 OG SER A 83 8.650 2.210 -3.388 1.00 0.00 O ATOM 0 H SER A 83 6.533 3.576 -5.589 1.00 0.00 H new ATOM 0 HA SER A 83 7.111 4.382 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.205 3.539 -4.858 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.507 4.073 -3.216 1.00 0.00 H new ATOM 0 HG SER A 83 9.533 1.837 -3.183 1.00 0.00 H new ATOM 1422 N HIS A 84 8.352 6.528 -3.735 1.00 0.00 N ATOM 1423 CA HIS A 84 8.588 7.891 -4.196 1.00 0.00 C ATOM 1424 C HIS A 84 9.276 7.896 -5.558 1.00 0.00 C ATOM 1425 O HIS A 84 9.098 8.820 -6.352 1.00 0.00 O ATOM 1426 CB HIS A 84 9.437 8.655 -3.180 1.00 0.00 C ATOM 1427 CG HIS A 84 9.264 10.140 -3.250 1.00 0.00 C ATOM 1428 ND1 HIS A 84 9.161 10.831 -4.439 1.00 0.00 N ATOM 1429 CD2 HIS A 84 9.172 11.068 -2.268 1.00 0.00 C ATOM 1430 CE1 HIS A 84 9.016 12.120 -4.186 1.00 0.00 C ATOM 1431 NE2 HIS A 84 9.019 12.290 -2.877 1.00 0.00 N ATOM 0 H HIS A 84 8.793 6.302 -2.843 1.00 0.00 H new ATOM 0 HA HIS A 84 7.622 8.385 -4.297 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.181 8.315 -2.177 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.487 8.412 -3.341 1.00 0.00 H new ATOM 0 HD1 HIS A 84 9.192 10.413 -5.369 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.212 10.882 -1.205 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.913 12.901 -4.924 1.00 0.00 H new ATOM 1440 N SER A 85 10.062 6.858 -5.822 1.00 0.00 N ATOM 1441 CA SER A 85 10.777 6.743 -7.089 1.00 0.00 C ATOM 1442 C SER A 85 9.937 6.004 -8.125 1.00 0.00 C ATOM 1443 O SER A 85 10.079 6.226 -9.327 1.00 0.00 O ATOM 1444 CB SER A 85 12.108 6.017 -6.882 1.00 0.00 C ATOM 1445 OG SER A 85 12.710 5.694 -8.123 1.00 0.00 O ATOM 0 H SER A 85 10.220 6.084 -5.176 1.00 0.00 H new ATOM 0 HA SER A 85 10.972 7.749 -7.459 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.782 6.645 -6.300 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.944 5.106 -6.306 1.00 0.00 H new ATOM 0 HG SER A 85 13.560 5.232 -7.964 1.00 0.00 H new ATOM 1451 N GLU A 86 9.061 5.120 -7.652 1.00 0.00 N ATOM 1452 CA GLU A 86 8.201 4.347 -8.540 1.00 0.00 C ATOM 1453 C GLU A 86 7.054 5.201 -9.071 1.00 0.00 C ATOM 1454 O GLU A 86 7.031 5.564 -10.247 1.00 0.00 O ATOM 1455 CB GLU A 86 7.647 3.122 -7.805 1.00 0.00 C ATOM 1456 CG GLU A 86 7.797 1.827 -8.583 1.00 0.00 C ATOM 1457 CD GLU A 86 6.526 1.431 -9.308 1.00 0.00 C ATOM 1458 OE1 GLU A 86 5.835 2.331 -9.828 1.00 0.00 O ATOM 1459 OE2 GLU A 86 6.220 0.221 -9.353 1.00 0.00 O ATOM 0 H GLU A 86 8.929 4.923 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 86 8.800 4.014 -9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.158 3.022 -6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.591 3.286 -7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.605 1.934 -9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.085 1.028 -7.899 1.00 0.00 H new ATOM 1466 N LEU A 87 6.103 5.516 -8.198 1.00 0.00 N ATOM 1467 CA LEU A 87 4.952 6.326 -8.580 1.00 0.00 C ATOM 1468 C LEU A 87 5.366 7.766 -8.863 1.00 0.00 C ATOM 1469 O LEU A 87 4.808 8.421 -9.742 1.00 0.00 O ATOM 1470 CB LEU A 87 3.892 6.297 -7.477 1.00 0.00 C ATOM 1471 CG LEU A 87 3.530 4.902 -6.964 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.829 4.994 -5.619 1.00 0.00 C ATOM 1473 CD2 LEU A 87 2.656 4.174 -7.976 1.00 0.00 C ATOM 0 H LEU A 87 6.107 5.223 -7.221 1.00 0.00 H new ATOM 0 HA LEU A 87 4.531 5.903 -9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.246 6.896 -6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.987 6.776 -7.851 1.00 0.00 H new ATOM 0 HG LEU A 87 4.450 4.333 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.579 3.992 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.488 5.476 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.916 5.580 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.407 3.183 -7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.739 4.741 -8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.195 4.076 -8.918 1.00 0.00 H new ATOM 1485 N PHE A 88 6.350 8.252 -8.112 1.00 0.00 N ATOM 1486 CA PHE A 88 6.837 9.617 -8.284 1.00 0.00 C ATOM 1487 C PHE A 88 8.258 9.622 -8.839 1.00 0.00 C ATOM 1488 O PHE A 88 8.896 8.548 -8.840 1.00 0.00 O ATOM 1489 CB PHE A 88 6.795 10.366 -6.952 1.00 0.00 C ATOM 1490 CG PHE A 88 5.454 10.974 -6.646 1.00 0.00 C ATOM 1491 CD1 PHE A 88 5.041 12.129 -7.289 1.00 0.00 C ATOM 1492 CD2 PHE A 88 4.610 10.389 -5.718 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.809 12.690 -7.011 1.00 0.00 C ATOM 1494 CE2 PHE A 88 3.378 10.945 -5.433 1.00 0.00 C ATOM 1495 CZ PHE A 88 2.976 12.098 -6.082 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.721 10.700 -9.267 1.00 0.00 O ATOM 0 H PHE A 88 6.825 7.723 -7.381 1.00 0.00 H new ATOM 0 HA PHE A 88 6.186 10.122 -8.998 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.065 9.679 -6.150 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.548 11.154 -6.964 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.689 12.596 -8.016 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.918 9.487 -5.211 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.498 13.590 -7.520 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.730 10.480 -4.705 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.013 12.535 -5.863 1.00 0.00 H new TER 1506 PHE A 88