USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=16 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 59 CYS SG : rot 180:sc= -0.694 USER MOD Set 1.2: A 69 TYR OH : rot -40:sc= -1.06 USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 12 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.114) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0983 (180deg=-0.477) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.0182 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 145:sc= 0.555 (180deg=-0.08) USER MOD Single : A 5 ASN : amide:sc= -0.816 X(o=-0.82,f=-0.62) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -148:sc= -0.278 (180deg=-1.3!) USER MOD Single : A 11 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.19) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.089 X(o=-0.089,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.228 K(o=-0.23,f=-2!) USER MOD Single : A 33 THR OG1 : rot 73:sc= 0.00103 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= -0.154 X(o=-0.15,f=-0.028) USER MOD Single : A 45 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.2!) USER MOD Single : A 47 HIS : no HE2:sc= -0.126 K(o=-0.13,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0203) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -1.16! C(o=-1.2!,f=-4.5!) USER MOD Single : A 62 LYS NZ :NH3+ -124:sc= -0.195 (180deg=-2.78!) USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0675) USER MOD Single : A 83 SER OG : rot 64:sc= 1.39 USER MOD Single : A 84 HIS : no HD1:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.010 1.364 11.622 1.00 0.00 N ATOM 2 CA MET A 1 -12.645 0.019 11.107 1.00 0.00 C ATOM 3 C MET A 1 -13.276 -0.239 9.742 1.00 0.00 C ATOM 4 O MET A 1 -14.384 0.219 9.463 1.00 0.00 O ATOM 5 CB MET A 1 -13.116 -1.032 12.113 1.00 0.00 C ATOM 6 CG MET A 1 -12.298 -1.059 13.394 1.00 0.00 C ATOM 7 SD MET A 1 -12.065 -2.727 14.036 1.00 0.00 S ATOM 8 CE MET A 1 -10.742 -3.314 12.982 1.00 0.00 C ATOM 0 H1 MET A 1 -12.181 1.990 11.576 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.776 1.762 11.042 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.329 1.283 12.609 1.00 0.00 H new ATOM 0 HA MET A 1 -11.563 -0.036 10.984 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.160 -0.842 12.362 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.074 -2.015 11.645 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.324 -0.607 13.208 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.794 -0.449 14.150 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.316 -4.224 13.405 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.136 -3.525 11.988 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.968 -2.550 12.911 1.00 0.00 H new ATOM 20 N LEU A 2 -12.563 -0.977 8.897 1.00 0.00 N ATOM 21 CA LEU A 2 -13.054 -1.296 7.562 1.00 0.00 C ATOM 22 C LEU A 2 -12.442 -2.599 7.053 1.00 0.00 C ATOM 23 O LEU A 2 -11.339 -2.974 7.450 1.00 0.00 O ATOM 24 CB LEU A 2 -12.738 -0.157 6.589 1.00 0.00 C ATOM 25 CG LEU A 2 -11.358 0.484 6.764 1.00 0.00 C ATOM 26 CD1 LEU A 2 -10.360 -0.124 5.788 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.442 1.991 6.573 1.00 0.00 C ATOM 0 H LEU A 2 -11.645 -1.365 9.113 1.00 0.00 H new ATOM 0 HA LEU A 2 -14.135 -1.421 7.623 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -12.818 -0.537 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -13.498 0.617 6.701 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.012 0.285 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.385 0.343 5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.278 -1.195 5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -10.701 0.044 4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.452 2.430 6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.810 2.211 5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.124 2.414 7.310 1.00 0.00 H new ATOM 39 N LYS A 3 -13.167 -3.282 6.176 1.00 0.00 N ATOM 40 CA LYS A 3 -12.700 -4.543 5.613 1.00 0.00 C ATOM 41 C LYS A 3 -11.466 -4.326 4.741 1.00 0.00 C ATOM 42 O LYS A 3 -11.289 -3.257 4.155 1.00 0.00 O ATOM 43 CB LYS A 3 -13.809 -5.199 4.790 1.00 0.00 C ATOM 44 CG LYS A 3 -13.712 -6.716 4.737 1.00 0.00 C ATOM 45 CD LYS A 3 -13.012 -7.185 3.472 1.00 0.00 C ATOM 46 CE LYS A 3 -13.865 -6.940 2.238 1.00 0.00 C ATOM 47 NZ LYS A 3 -14.776 -8.084 1.956 1.00 0.00 N ATOM 0 H LYS A 3 -14.082 -2.983 5.839 1.00 0.00 H new ATOM 0 HA LYS A 3 -12.429 -5.202 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.775 -4.920 5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.777 -4.806 3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.169 -7.078 5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.712 -7.147 4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -12.061 -6.663 3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.785 -8.248 3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.454 -6.033 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.218 -6.771 1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.673 -7.726 1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.330 -8.720 1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.962 -8.605 2.837 1.00 0.00 H new ATOM 61 N LEU A 4 -10.619 -5.346 4.657 1.00 0.00 N ATOM 62 CA LEU A 4 -9.402 -5.267 3.856 1.00 0.00 C ATOM 63 C LEU A 4 -9.385 -6.355 2.786 1.00 0.00 C ATOM 64 O LEU A 4 -10.015 -7.402 2.942 1.00 0.00 O ATOM 65 CB LEU A 4 -8.168 -5.396 4.750 1.00 0.00 C ATOM 66 CG LEU A 4 -6.834 -5.101 4.058 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.918 -4.307 4.976 1.00 0.00 C ATOM 68 CD2 LEU A 4 -6.165 -6.396 3.622 1.00 0.00 C ATOM 0 H LEU A 4 -10.752 -6.238 5.134 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.384 -4.295 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.279 -4.718 5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.135 -6.408 5.154 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.031 -4.499 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.976 -4.108 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.395 -3.363 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.726 -4.881 5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.218 -6.169 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.981 -7.022 4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.816 -6.926 2.926 1.00 0.00 H new ATOM 80 N ASN A 5 -8.661 -6.101 1.702 1.00 0.00 N ATOM 81 CA ASN A 5 -8.562 -7.059 0.607 1.00 0.00 C ATOM 82 C ASN A 5 -7.195 -6.978 -0.065 1.00 0.00 C ATOM 83 O ASN A 5 -6.522 -5.950 -0.004 1.00 0.00 O ATOM 84 CB ASN A 5 -9.669 -6.805 -0.418 1.00 0.00 C ATOM 85 CG ASN A 5 -10.549 -8.022 -0.633 1.00 0.00 C ATOM 86 OD1 ASN A 5 -10.057 -9.140 -0.782 1.00 0.00 O ATOM 87 ND2 ASN A 5 -11.860 -7.807 -0.649 1.00 0.00 N ATOM 0 H ASN A 5 -8.134 -5.240 1.558 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.682 -8.061 1.018 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.284 -5.969 -0.084 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.221 -6.512 -1.367 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.503 -8.586 -0.789 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.224 -6.863 -0.521 1.00 0.00 H new ATOM 94 N LEU A 6 -6.791 -8.071 -0.705 1.00 0.00 N ATOM 95 CA LEU A 6 -5.505 -8.124 -1.390 1.00 0.00 C ATOM 96 C LEU A 6 -5.681 -8.523 -2.852 1.00 0.00 C ATOM 97 O LEU A 6 -6.302 -9.541 -3.158 1.00 0.00 O ATOM 98 CB LEU A 6 -4.573 -9.116 -0.690 1.00 0.00 C ATOM 99 CG LEU A 6 -4.138 -8.712 0.720 1.00 0.00 C ATOM 100 CD1 LEU A 6 -5.175 -9.146 1.744 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.779 -9.309 1.050 1.00 0.00 C ATOM 0 H LEU A 6 -7.336 -8.931 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.062 -7.129 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.072 -10.084 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.682 -9.250 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.054 -7.626 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.848 -8.850 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.130 -8.670 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.292 -10.229 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.485 -9.011 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.836 -10.396 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.040 -8.948 0.335 1.00 0.00 H new ATOM 113 N LYS A 7 -5.133 -7.713 -3.752 1.00 0.00 N ATOM 114 CA LYS A 7 -5.230 -7.980 -5.181 1.00 0.00 C ATOM 115 C LYS A 7 -3.942 -8.604 -5.708 1.00 0.00 C ATOM 116 O LYS A 7 -2.883 -8.477 -5.093 1.00 0.00 O ATOM 117 CB LYS A 7 -5.534 -6.689 -5.944 1.00 0.00 C ATOM 118 CG LYS A 7 -6.872 -6.066 -5.578 1.00 0.00 C ATOM 119 CD LYS A 7 -8.007 -6.669 -6.388 1.00 0.00 C ATOM 120 CE LYS A 7 -8.115 -6.026 -7.762 1.00 0.00 C ATOM 121 NZ LYS A 7 -9.460 -6.229 -8.366 1.00 0.00 N ATOM 0 H LYS A 7 -4.617 -6.866 -3.516 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.045 -8.687 -5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.741 -5.967 -5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.520 -6.897 -7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.064 -6.213 -4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.833 -4.990 -5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.846 -7.741 -6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.947 -6.541 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.911 -4.958 -7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.354 -6.446 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.492 -5.776 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.645 -7.247 -8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.184 -5.806 -7.751 1.00 0.00 H new ATOM 135 N LYS A 8 -4.039 -9.278 -6.848 1.00 0.00 N ATOM 136 CA LYS A 8 -2.881 -9.922 -7.458 1.00 0.00 C ATOM 137 C LYS A 8 -1.810 -8.895 -7.810 1.00 0.00 C ATOM 138 O LYS A 8 -0.615 -9.192 -7.777 1.00 0.00 O ATOM 139 CB LYS A 8 -3.300 -10.692 -8.712 1.00 0.00 C ATOM 140 CG LYS A 8 -2.586 -12.023 -8.877 1.00 0.00 C ATOM 141 CD LYS A 8 -2.918 -12.673 -10.210 1.00 0.00 C ATOM 142 CE LYS A 8 -1.740 -13.466 -10.752 1.00 0.00 C ATOM 143 NZ LYS A 8 -0.509 -12.633 -10.860 1.00 0.00 N ATOM 0 H LYS A 8 -4.908 -9.393 -7.369 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.463 -10.622 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.375 -10.868 -8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.106 -10.074 -9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.509 -11.871 -8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.869 -12.692 -8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.778 -13.332 -10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.203 -11.905 -10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.545 -14.318 -10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.994 -13.867 -11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.062 -12.961 -11.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.775 -11.638 -11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.046 -12.718 -9.984 1.00 0.00 H new ATOM 157 N SER A 9 -2.246 -7.686 -8.148 1.00 0.00 N ATOM 158 CA SER A 9 -1.325 -6.613 -8.506 1.00 0.00 C ATOM 159 C SER A 9 -0.478 -6.197 -7.309 1.00 0.00 C ATOM 160 O SER A 9 0.654 -5.737 -7.466 1.00 0.00 O ATOM 161 CB SER A 9 -2.100 -5.406 -9.040 1.00 0.00 C ATOM 162 OG SER A 9 -3.071 -5.804 -9.992 1.00 0.00 O ATOM 0 H SER A 9 -3.231 -7.425 -8.182 1.00 0.00 H new ATOM 0 HA SER A 9 -0.660 -6.985 -9.285 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.587 -4.888 -8.214 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.408 -4.698 -9.496 1.00 0.00 H new ATOM 0 HG SER A 9 -3.554 -5.015 -10.317 1.00 0.00 H new ATOM 168 N PHE A 10 -1.032 -6.358 -6.113 1.00 0.00 N ATOM 169 CA PHE A 10 -0.327 -5.997 -4.888 1.00 0.00 C ATOM 170 C PHE A 10 0.772 -7.006 -4.568 1.00 0.00 C ATOM 171 O PHE A 10 1.808 -6.652 -4.006 1.00 0.00 O ATOM 172 CB PHE A 10 -1.308 -5.909 -3.719 1.00 0.00 C ATOM 173 CG PHE A 10 -0.706 -5.327 -2.473 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.389 -3.981 -2.404 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.453 -6.127 -1.371 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.168 -3.442 -1.261 1.00 0.00 C ATOM 177 CE2 PHE A 10 0.104 -5.596 -0.224 1.00 0.00 C ATOM 178 CZ PHE A 10 0.415 -4.252 -0.168 1.00 0.00 C ATOM 0 H PHE A 10 -1.968 -6.736 -5.965 1.00 0.00 H new ATOM 0 HA PHE A 10 0.136 -5.023 -5.042 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.163 -5.302 -4.018 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.687 -6.907 -3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.580 -3.344 -3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.694 -7.179 -1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.410 -2.390 -1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.296 -6.231 0.628 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.850 -3.834 0.728 1.00 0.00 H new ATOM 188 N GLN A 11 0.539 -8.263 -4.928 1.00 0.00 N ATOM 189 CA GLN A 11 1.509 -9.322 -4.676 1.00 0.00 C ATOM 190 C GLN A 11 2.628 -9.298 -5.712 1.00 0.00 C ATOM 191 O GLN A 11 3.763 -9.681 -5.423 1.00 0.00 O ATOM 192 CB GLN A 11 0.818 -10.687 -4.685 1.00 0.00 C ATOM 193 CG GLN A 11 -0.352 -10.784 -3.721 1.00 0.00 C ATOM 194 CD GLN A 11 0.058 -10.538 -2.282 1.00 0.00 C ATOM 195 OE1 GLN A 11 0.205 -11.475 -1.497 1.00 0.00 O ATOM 196 NE2 GLN A 11 0.243 -9.272 -1.927 1.00 0.00 N ATOM 0 H GLN A 11 -0.313 -8.574 -5.395 1.00 0.00 H new ATOM 0 HA GLN A 11 1.948 -9.150 -3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.465 -10.899 -5.694 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.549 -11.456 -4.435 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.115 -10.060 -4.007 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.804 -11.772 -3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.110 -8.526 -2.610 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.518 -9.045 -0.971 1.00 0.00 H new ATOM 205 N LYS A 12 2.303 -8.851 -6.919 1.00 0.00 N ATOM 206 CA LYS A 12 3.282 -8.782 -7.999 1.00 0.00 C ATOM 207 C LYS A 12 4.000 -7.433 -8.015 1.00 0.00 C ATOM 208 O LYS A 12 5.046 -7.288 -8.648 1.00 0.00 O ATOM 209 CB LYS A 12 2.602 -9.024 -9.347 1.00 0.00 C ATOM 210 CG LYS A 12 1.584 -7.955 -9.715 1.00 0.00 C ATOM 211 CD LYS A 12 2.132 -7.001 -10.766 1.00 0.00 C ATOM 212 CE LYS A 12 1.065 -6.031 -11.245 1.00 0.00 C ATOM 213 NZ LYS A 12 0.027 -6.708 -12.071 1.00 0.00 N ATOM 0 H LYS A 12 1.369 -8.531 -7.175 1.00 0.00 H new ATOM 0 HA LYS A 12 4.025 -9.561 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.364 -9.072 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.106 -9.994 -9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.677 -8.429 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.305 -7.394 -8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.972 -6.444 -10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.514 -7.571 -11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.592 -5.558 -10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.532 -5.237 -11.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.562 -5.993 -12.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.488 -7.304 -12.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.571 -7.300 -11.460 1.00 0.00 H new ATOM 227 N ASP A 13 3.436 -6.448 -7.322 1.00 0.00 N ATOM 228 CA ASP A 13 4.031 -5.117 -7.268 1.00 0.00 C ATOM 229 C ASP A 13 5.147 -5.055 -6.231 1.00 0.00 C ATOM 230 O ASP A 13 6.106 -4.302 -6.387 1.00 0.00 O ATOM 231 CB ASP A 13 2.963 -4.070 -6.950 1.00 0.00 C ATOM 232 CG ASP A 13 2.351 -3.474 -8.203 1.00 0.00 C ATOM 233 OD1 ASP A 13 1.861 -4.248 -9.052 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.362 -2.232 -8.336 1.00 0.00 O ATOM 0 H ASP A 13 2.570 -6.546 -6.792 1.00 0.00 H new ATOM 0 HA ASP A 13 4.461 -4.902 -8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.178 -4.526 -6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.405 -3.274 -6.350 1.00 0.00 H new ATOM 239 N PHE A 14 5.021 -5.857 -5.177 1.00 0.00 N ATOM 240 CA PHE A 14 6.014 -5.902 -4.127 1.00 0.00 C ATOM 241 C PHE A 14 7.058 -6.959 -4.452 1.00 0.00 C ATOM 242 O PHE A 14 8.255 -6.679 -4.476 1.00 0.00 O ATOM 243 CB PHE A 14 5.342 -6.204 -2.786 1.00 0.00 C ATOM 244 CG PHE A 14 5.781 -5.300 -1.664 1.00 0.00 C ATOM 245 CD1 PHE A 14 7.038 -4.714 -1.672 1.00 0.00 C ATOM 246 CD2 PHE A 14 4.933 -5.039 -0.600 1.00 0.00 C ATOM 247 CE1 PHE A 14 7.437 -3.882 -0.643 1.00 0.00 C ATOM 248 CE2 PHE A 14 5.328 -4.208 0.433 1.00 0.00 C ATOM 249 CZ PHE A 14 6.581 -3.630 0.410 1.00 0.00 C ATOM 0 H PHE A 14 4.231 -6.486 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 14 6.508 -4.933 -4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.262 -6.120 -2.905 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.553 -7.237 -2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.713 -4.910 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.952 -5.490 -0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.417 -3.430 -0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.657 -4.012 1.256 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.892 -2.981 1.215 1.00 0.00 H new ATOM 259 N ASP A 15 6.596 -8.178 -4.725 1.00 0.00 N ATOM 260 CA ASP A 15 7.495 -9.273 -5.074 1.00 0.00 C ATOM 261 C ASP A 15 8.430 -8.844 -6.197 1.00 0.00 C ATOM 262 O ASP A 15 9.595 -9.242 -6.241 1.00 0.00 O ATOM 263 CB ASP A 15 6.695 -10.507 -5.498 1.00 0.00 C ATOM 264 CG ASP A 15 6.199 -11.311 -4.313 1.00 0.00 C ATOM 265 OD1 ASP A 15 7.041 -11.774 -3.516 1.00 0.00 O ATOM 266 OD2 ASP A 15 4.968 -11.477 -4.182 1.00 0.00 O ATOM 0 H ASP A 15 5.608 -8.430 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 15 8.089 -9.529 -4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.844 -10.194 -6.103 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.318 -11.141 -6.128 1.00 0.00 H new ATOM 271 N LYS A 16 7.910 -8.012 -7.096 1.00 0.00 N ATOM 272 CA LYS A 16 8.694 -7.504 -8.211 1.00 0.00 C ATOM 273 C LYS A 16 9.567 -6.341 -7.751 1.00 0.00 C ATOM 274 O LYS A 16 10.641 -6.099 -8.302 1.00 0.00 O ATOM 275 CB LYS A 16 7.776 -7.051 -9.349 1.00 0.00 C ATOM 276 CG LYS A 16 8.512 -6.776 -10.650 1.00 0.00 C ATOM 277 CD LYS A 16 8.188 -7.817 -11.710 1.00 0.00 C ATOM 278 CE LYS A 16 8.818 -9.163 -11.384 1.00 0.00 C ATOM 279 NZ LYS A 16 9.632 -9.684 -12.517 1.00 0.00 N ATOM 0 H LYS A 16 6.947 -7.677 -7.071 1.00 0.00 H new ATOM 0 HA LYS A 16 9.334 -8.306 -8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.021 -7.818 -9.523 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.248 -6.148 -9.042 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.243 -5.786 -11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.586 -6.767 -10.465 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.107 -7.931 -11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.546 -7.473 -12.680 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.448 -9.064 -10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.035 -9.881 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.044 -10.602 -12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.026 -9.802 -13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.395 -9.012 -12.734 1.00 0.00 H new ATOM 293 N LEU A 17 9.103 -5.634 -6.721 1.00 0.00 N ATOM 294 CA LEU A 17 9.845 -4.508 -6.172 1.00 0.00 C ATOM 295 C LEU A 17 11.006 -5.009 -5.328 1.00 0.00 C ATOM 296 O LEU A 17 12.111 -4.470 -5.387 1.00 0.00 O ATOM 297 CB LEU A 17 8.927 -3.624 -5.323 1.00 0.00 C ATOM 298 CG LEU A 17 8.743 -2.195 -5.836 1.00 0.00 C ATOM 299 CD1 LEU A 17 7.814 -1.415 -4.920 1.00 0.00 C ATOM 300 CD2 LEU A 17 10.088 -1.495 -5.952 1.00 0.00 C ATOM 0 H LEU A 17 8.217 -5.824 -6.253 1.00 0.00 H new ATOM 0 HA LEU A 17 10.235 -3.915 -6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.948 -4.099 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.326 -3.581 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 17 8.291 -2.240 -6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.695 -0.401 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.841 -1.906 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.239 -1.378 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.939 -0.479 -6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.566 -1.461 -4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.724 -2.042 -6.648 1.00 0.00 H new ATOM 312 N LEU A 18 10.745 -6.051 -4.543 1.00 0.00 N ATOM 313 CA LEU A 18 11.776 -6.631 -3.682 1.00 0.00 C ATOM 314 C LEU A 18 13.019 -7.002 -4.490 1.00 0.00 C ATOM 315 O LEU A 18 14.142 -6.924 -3.992 1.00 0.00 O ATOM 316 CB LEU A 18 11.246 -7.874 -2.959 1.00 0.00 C ATOM 317 CG LEU A 18 10.202 -7.630 -1.855 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.757 -6.175 -1.816 1.00 0.00 C ATOM 319 CD2 LEU A 18 9.004 -8.547 -2.045 1.00 0.00 C ATOM 0 H LEU A 18 9.836 -6.509 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 18 12.048 -5.878 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.808 -8.541 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.093 -8.400 -2.518 1.00 0.00 H new ATOM 0 HG LEU A 18 10.673 -7.858 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.020 -6.041 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.618 -5.536 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.313 -5.904 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.275 -8.362 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.546 -8.352 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.330 -9.586 -2.001 1.00 0.00 H new ATOM 331 N LEU A 19 12.810 -7.409 -5.738 1.00 0.00 N ATOM 332 CA LEU A 19 13.913 -7.796 -6.613 1.00 0.00 C ATOM 333 C LEU A 19 14.447 -6.603 -7.408 1.00 0.00 C ATOM 334 O LEU A 19 15.445 -6.721 -8.119 1.00 0.00 O ATOM 335 CB LEU A 19 13.463 -8.901 -7.573 1.00 0.00 C ATOM 336 CG LEU A 19 13.752 -10.326 -7.099 1.00 0.00 C ATOM 337 CD1 LEU A 19 12.749 -11.301 -7.698 1.00 0.00 C ATOM 338 CD2 LEU A 19 15.173 -10.731 -7.465 1.00 0.00 C ATOM 0 H LEU A 19 11.887 -7.480 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 19 14.720 -8.169 -5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 19 12.391 -8.801 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.953 -8.748 -8.535 1.00 0.00 H new ATOM 0 HG LEU A 19 13.654 -10.355 -6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.970 -12.310 -7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.742 -11.023 -7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.816 -11.270 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.362 -11.748 -7.120 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.297 -10.686 -8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 19 15.879 -10.050 -6.990 1.00 0.00 H new ATOM 350 N ASN A 20 13.780 -5.456 -7.290 1.00 0.00 N ATOM 351 CA ASN A 20 14.199 -4.256 -8.004 1.00 0.00 C ATOM 352 C ASN A 20 15.051 -3.357 -7.113 1.00 0.00 C ATOM 353 O ASN A 20 14.945 -2.132 -7.167 1.00 0.00 O ATOM 354 CB ASN A 20 12.975 -3.485 -8.507 1.00 0.00 C ATOM 355 CG ASN A 20 13.131 -3.028 -9.945 1.00 0.00 C ATOM 356 OD1 ASN A 20 12.220 -3.182 -10.758 1.00 0.00 O ATOM 357 ND2 ASN A 20 14.289 -2.462 -10.263 1.00 0.00 N ATOM 0 H ASN A 20 12.951 -5.335 -6.709 1.00 0.00 H new ATOM 0 HA ASN A 20 14.804 -4.564 -8.857 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.091 -4.117 -8.423 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.808 -2.617 -7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.452 -2.134 -11.215 1.00 0.00 H new ATOM 0 HD22 ASN A 20 15.016 -2.355 -9.555 1.00 0.00 H new ATOM 364 N GLY A 21 15.897 -3.974 -6.294 1.00 0.00 N ATOM 365 CA GLY A 21 16.756 -3.213 -5.405 1.00 0.00 C ATOM 366 C GLY A 21 16.056 -2.818 -4.119 1.00 0.00 C ATOM 367 O GLY A 21 16.406 -1.816 -3.497 1.00 0.00 O ATOM 0 H GLY A 21 16.003 -4.986 -6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 21 17.641 -3.803 -5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 21 17.100 -2.315 -5.918 1.00 0.00 H new ATOM 371 N PHE A 22 15.064 -3.608 -3.721 1.00 0.00 N ATOM 372 CA PHE A 22 14.313 -3.338 -2.501 1.00 0.00 C ATOM 373 C PHE A 22 14.446 -4.493 -1.514 1.00 0.00 C ATOM 374 O PHE A 22 14.218 -5.651 -1.864 1.00 0.00 O ATOM 375 CB PHE A 22 12.838 -3.098 -2.830 1.00 0.00 C ATOM 376 CG PHE A 22 12.010 -2.712 -1.639 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.720 -3.640 -0.651 1.00 0.00 C ATOM 378 CD2 PHE A 22 11.522 -1.423 -1.506 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.957 -3.288 0.447 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.759 -1.065 -0.412 1.00 0.00 C ATOM 381 CZ PHE A 22 10.476 -1.998 0.567 1.00 0.00 C ATOM 0 H PHE A 22 14.762 -4.441 -4.226 1.00 0.00 H new ATOM 0 HA PHE A 22 14.726 -2.441 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 22 12.766 -2.312 -3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 22 12.422 -4.003 -3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 22 12.094 -4.649 -0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.741 -0.689 -2.267 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.737 -4.020 1.210 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.384 -0.056 -0.322 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.880 -1.720 1.424 1.00 0.00 H new ATOM 391 N ASP A 23 14.818 -4.170 -0.280 1.00 0.00 N ATOM 392 CA ASP A 23 14.983 -5.182 0.757 1.00 0.00 C ATOM 393 C ASP A 23 13.650 -5.496 1.432 1.00 0.00 C ATOM 394 O ASP A 23 12.918 -4.591 1.833 1.00 0.00 O ATOM 395 CB ASP A 23 15.996 -4.711 1.804 1.00 0.00 C ATOM 396 CG ASP A 23 16.662 -5.866 2.526 1.00 0.00 C ATOM 397 OD1 ASP A 23 17.326 -6.682 1.853 1.00 0.00 O ATOM 398 OD2 ASP A 23 16.519 -5.953 3.763 1.00 0.00 O ATOM 0 H ASP A 23 15.011 -3.216 0.026 1.00 0.00 H new ATOM 0 HA ASP A 23 15.354 -6.091 0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.758 -4.101 1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 23 15.493 -4.073 2.531 1.00 0.00 H new ATOM 403 N ASP A 24 13.343 -6.783 1.553 1.00 0.00 N ATOM 404 CA ASP A 24 12.100 -7.220 2.180 1.00 0.00 C ATOM 405 C ASP A 24 11.979 -6.673 3.601 1.00 0.00 C ATOM 406 O ASP A 24 10.878 -6.580 4.145 1.00 0.00 O ATOM 407 CB ASP A 24 12.028 -8.748 2.204 1.00 0.00 C ATOM 408 CG ASP A 24 13.154 -9.367 3.007 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.238 -8.751 3.084 1.00 0.00 O ATOM 410 OD2 ASP A 24 12.953 -10.469 3.561 1.00 0.00 O ATOM 0 H ASP A 24 13.939 -7.543 1.225 1.00 0.00 H new ATOM 0 HA ASP A 24 11.271 -6.830 1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.072 -9.057 2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.063 -9.127 1.183 1.00 0.00 H new ATOM 415 N SER A 25 13.113 -6.312 4.197 1.00 0.00 N ATOM 416 CA SER A 25 13.130 -5.775 5.556 1.00 0.00 C ATOM 417 C SER A 25 12.081 -4.679 5.723 1.00 0.00 C ATOM 418 O SER A 25 11.248 -4.736 6.627 1.00 0.00 O ATOM 419 CB SER A 25 14.517 -5.224 5.892 1.00 0.00 C ATOM 420 OG SER A 25 14.537 -4.647 7.185 1.00 0.00 O ATOM 0 H SER A 25 14.032 -6.381 3.760 1.00 0.00 H new ATOM 0 HA SER A 25 12.893 -6.587 6.243 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.253 -6.026 5.837 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.804 -4.476 5.152 1.00 0.00 H new ATOM 0 HG SER A 25 15.435 -4.304 7.376 1.00 0.00 H new ATOM 426 N VAL A 26 12.126 -3.685 4.842 1.00 0.00 N ATOM 427 CA VAL A 26 11.175 -2.583 4.890 1.00 0.00 C ATOM 428 C VAL A 26 9.762 -3.079 4.606 1.00 0.00 C ATOM 429 O VAL A 26 8.790 -2.581 5.175 1.00 0.00 O ATOM 430 CB VAL A 26 11.536 -1.480 3.877 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.608 -0.285 4.031 1.00 0.00 C ATOM 432 CG2 VAL A 26 12.989 -1.059 4.041 1.00 0.00 C ATOM 0 H VAL A 26 12.810 -3.621 4.088 1.00 0.00 H new ATOM 0 HA VAL A 26 11.221 -2.163 5.895 1.00 0.00 H new ATOM 0 HB VAL A 26 11.408 -1.882 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.880 0.483 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.579 -0.599 3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.699 0.119 5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.226 -0.279 3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.146 -0.677 5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.638 -1.919 3.874 1.00 0.00 H new ATOM 442 N LEU A 27 9.661 -4.067 3.723 1.00 0.00 N ATOM 443 CA LEU A 27 8.371 -4.643 3.361 1.00 0.00 C ATOM 444 C LEU A 27 7.672 -5.214 4.591 1.00 0.00 C ATOM 445 O LEU A 27 6.447 -5.180 4.696 1.00 0.00 O ATOM 446 CB LEU A 27 8.565 -5.729 2.292 1.00 0.00 C ATOM 447 CG LEU A 27 7.593 -6.911 2.360 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.153 -6.426 2.265 1.00 0.00 C ATOM 449 CD2 LEU A 27 7.894 -7.913 1.254 1.00 0.00 C ATOM 0 H LEU A 27 10.458 -4.486 3.244 1.00 0.00 H new ATOM 0 HA LEU A 27 7.738 -3.857 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.476 -5.265 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.582 -6.114 2.372 1.00 0.00 H new ATOM 0 HG LEU A 27 7.724 -7.409 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.477 -7.280 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.942 -5.748 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.007 -5.903 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.194 -8.746 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.792 -7.426 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.912 -8.285 1.367 1.00 0.00 H new ATOM 461 N ASN A 28 8.462 -5.736 5.524 1.00 0.00 N ATOM 462 CA ASN A 28 7.921 -6.314 6.748 1.00 0.00 C ATOM 463 C ASN A 28 7.120 -5.279 7.531 1.00 0.00 C ATOM 464 O ASN A 28 6.006 -5.549 7.980 1.00 0.00 O ATOM 465 CB ASN A 28 9.051 -6.870 7.618 1.00 0.00 C ATOM 466 CG ASN A 28 8.764 -8.276 8.112 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.640 -8.764 8.009 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.784 -8.932 8.652 1.00 0.00 N ATOM 0 H ASN A 28 9.479 -5.770 5.455 1.00 0.00 H new ATOM 0 HA ASN A 28 7.252 -7.129 6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.979 -6.871 7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.205 -6.212 8.473 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.652 -9.881 9.002 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.700 -8.487 8.717 1.00 0.00 H new ATOM 475 N GLU A 29 7.696 -4.092 7.691 1.00 0.00 N ATOM 476 CA GLU A 29 7.035 -3.014 8.420 1.00 0.00 C ATOM 477 C GLU A 29 5.749 -2.590 7.718 1.00 0.00 C ATOM 478 O GLU A 29 4.738 -2.319 8.365 1.00 0.00 O ATOM 479 CB GLU A 29 7.974 -1.813 8.557 1.00 0.00 C ATOM 480 CG GLU A 29 9.209 -2.100 9.396 1.00 0.00 C ATOM 481 CD GLU A 29 9.544 -0.969 10.347 1.00 0.00 C ATOM 482 OE1 GLU A 29 9.293 0.201 9.991 1.00 0.00 O ATOM 483 OE2 GLU A 29 10.057 -1.253 11.451 1.00 0.00 O ATOM 0 H GLU A 29 8.618 -3.852 7.326 1.00 0.00 H new ATOM 0 HA GLU A 29 6.780 -3.384 9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.286 -1.491 7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.426 -0.983 9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.051 -3.015 9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.058 -2.279 8.736 1.00 0.00 H new ATOM 490 N VAL A 30 5.795 -2.534 6.390 1.00 0.00 N ATOM 491 CA VAL A 30 4.633 -2.144 5.601 1.00 0.00 C ATOM 492 C VAL A 30 3.518 -3.177 5.719 1.00 0.00 C ATOM 493 O VAL A 30 2.504 -2.933 6.374 1.00 0.00 O ATOM 494 CB VAL A 30 5.001 -1.957 4.117 1.00 0.00 C ATOM 495 CG1 VAL A 30 3.774 -1.594 3.293 1.00 0.00 C ATOM 496 CG2 VAL A 30 6.085 -0.900 3.966 1.00 0.00 C ATOM 0 H VAL A 30 6.625 -2.754 5.839 1.00 0.00 H new ATOM 0 HA VAL A 30 4.281 -1.192 5.999 1.00 0.00 H new ATOM 0 HB VAL A 30 5.389 -2.904 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.061 -1.468 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.034 -2.390 3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.347 -0.664 3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.333 -0.781 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.726 0.049 4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.974 -1.210 4.515 1.00 0.00 H new ATOM 506 N ILE A 31 3.713 -4.333 5.087 1.00 0.00 N ATOM 507 CA ILE A 31 2.722 -5.405 5.129 1.00 0.00 C ATOM 508 C ILE A 31 2.220 -5.614 6.555 1.00 0.00 C ATOM 509 O ILE A 31 1.056 -5.946 6.778 1.00 0.00 O ATOM 510 CB ILE A 31 3.306 -6.727 4.571 1.00 0.00 C ATOM 511 CG1 ILE A 31 2.870 -6.931 3.118 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.888 -7.922 5.424 1.00 0.00 C ATOM 513 CD1 ILE A 31 3.187 -5.755 2.219 1.00 0.00 C ATOM 0 H ILE A 31 4.547 -4.550 4.541 1.00 0.00 H new ATOM 0 HA ILE A 31 1.883 -5.109 4.499 1.00 0.00 H new ATOM 0 HB ILE A 31 4.393 -6.654 4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.358 -7.822 2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.796 -7.118 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.314 -8.834 5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.250 -7.786 6.443 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.801 -8.000 5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.850 -5.971 1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.677 -4.866 2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.263 -5.580 2.214 1.00 0.00 H new ATOM 525 N LEU A 32 3.113 -5.401 7.516 1.00 0.00 N ATOM 526 CA LEU A 32 2.773 -5.548 8.924 1.00 0.00 C ATOM 527 C LEU A 32 1.578 -4.670 9.270 1.00 0.00 C ATOM 528 O LEU A 32 0.535 -5.166 9.698 1.00 0.00 O ATOM 529 CB LEU A 32 3.988 -5.184 9.790 1.00 0.00 C ATOM 530 CG LEU A 32 3.680 -4.744 11.224 1.00 0.00 C ATOM 531 CD1 LEU A 32 4.796 -5.175 12.164 1.00 0.00 C ATOM 532 CD2 LEU A 32 3.481 -3.235 11.283 1.00 0.00 C ATOM 0 H LEU A 32 4.080 -5.125 7.343 1.00 0.00 H new ATOM 0 HA LEU A 32 2.501 -6.585 9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.653 -6.047 9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.536 -4.383 9.294 1.00 0.00 H new ATOM 0 HG LEU A 32 2.757 -5.226 11.545 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.561 -4.854 13.179 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.893 -6.260 12.140 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.734 -4.720 11.848 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.263 -2.937 12.308 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.389 -2.735 10.945 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.649 -2.952 10.638 1.00 0.00 H new ATOM 544 N THR A 33 1.735 -3.368 9.073 1.00 0.00 N ATOM 545 CA THR A 33 0.672 -2.415 9.362 1.00 0.00 C ATOM 546 C THR A 33 -0.623 -2.790 8.638 1.00 0.00 C ATOM 547 O THR A 33 -1.713 -2.415 9.069 1.00 0.00 O ATOM 548 CB THR A 33 1.111 -1.003 8.963 1.00 0.00 C ATOM 549 OG1 THR A 33 2.219 -0.588 9.741 1.00 0.00 O ATOM 550 CG2 THR A 33 0.021 0.038 9.128 1.00 0.00 C ATOM 0 H THR A 33 2.591 -2.947 8.713 1.00 0.00 H new ATOM 0 HA THR A 33 0.476 -2.441 10.434 1.00 0.00 H new ATOM 0 HB THR A 33 1.368 -1.069 7.906 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.020 -1.075 9.456 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.402 1.014 8.827 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.833 -0.227 8.504 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.291 0.076 10.172 1.00 0.00 H new ATOM 558 N LEU A 34 -0.496 -3.528 7.540 1.00 0.00 N ATOM 559 CA LEU A 34 -1.660 -3.945 6.765 1.00 0.00 C ATOM 560 C LEU A 34 -2.434 -5.042 7.490 1.00 0.00 C ATOM 561 O LEU A 34 -3.598 -4.862 7.848 1.00 0.00 O ATOM 562 CB LEU A 34 -1.230 -4.433 5.380 1.00 0.00 C ATOM 563 CG LEU A 34 -0.224 -3.534 4.659 1.00 0.00 C ATOM 564 CD1 LEU A 34 0.021 -4.039 3.244 1.00 0.00 C ATOM 565 CD2 LEU A 34 -0.716 -2.094 4.633 1.00 0.00 C ATOM 0 H LEU A 34 0.398 -3.849 7.167 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.316 -3.082 6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.797 -5.428 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.118 -4.533 4.755 1.00 0.00 H new ATOM 0 HG LEU A 34 0.719 -3.565 5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.739 -3.388 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.417 -5.054 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.917 -4.037 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.013 -1.470 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.671 -2.045 4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.843 -1.734 5.654 1.00 0.00 H new ATOM 577 N ARG A 35 -1.780 -6.179 7.705 1.00 0.00 N ATOM 578 CA ARG A 35 -2.406 -7.305 8.388 1.00 0.00 C ATOM 579 C ARG A 35 -2.664 -6.977 9.855 1.00 0.00 C ATOM 580 O ARG A 35 -3.764 -7.185 10.368 1.00 0.00 O ATOM 581 CB ARG A 35 -1.522 -8.549 8.278 1.00 0.00 C ATOM 582 CG ARG A 35 -0.981 -8.789 6.877 1.00 0.00 C ATOM 583 CD ARG A 35 -0.642 -10.253 6.654 1.00 0.00 C ATOM 584 NE ARG A 35 -1.836 -11.095 6.623 1.00 0.00 N ATOM 585 CZ ARG A 35 -1.867 -12.319 6.101 1.00 0.00 C ATOM 586 NH1 ARG A 35 -0.773 -12.849 5.568 1.00 0.00 N ATOM 587 NH2 ARG A 35 -2.995 -13.015 6.113 1.00 0.00 N ATOM 0 H ARG A 35 -0.816 -6.345 7.416 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.363 -7.504 7.906 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.685 -8.452 8.970 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.096 -9.421 8.591 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.719 -8.469 6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.090 -8.180 6.721 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.099 -10.360 5.715 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.022 -10.596 7.447 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.696 -10.723 7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.098 -12.318 5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.803 -13.787 5.170 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.838 -12.613 6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.020 -13.953 5.713 1.00 0.00 H new ATOM 601 N LYS A 36 -1.638 -6.462 10.523 1.00 0.00 N ATOM 602 CA LYS A 36 -1.740 -6.097 11.934 1.00 0.00 C ATOM 603 C LYS A 36 -2.661 -4.898 12.137 1.00 0.00 C ATOM 604 O LYS A 36 -3.057 -4.593 13.261 1.00 0.00 O ATOM 605 CB LYS A 36 -0.355 -5.784 12.486 1.00 0.00 C ATOM 606 CG LYS A 36 0.133 -4.378 12.170 1.00 0.00 C ATOM 607 CD LYS A 36 0.151 -3.506 13.413 1.00 0.00 C ATOM 608 CE LYS A 36 1.544 -3.439 14.021 1.00 0.00 C ATOM 609 NZ LYS A 36 1.620 -4.163 15.320 1.00 0.00 N ATOM 0 H LYS A 36 -0.722 -6.287 10.110 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.168 -6.943 12.471 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.367 -5.919 13.568 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.357 -6.504 12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.135 -4.426 11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.513 -3.927 11.417 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.186 -2.501 13.160 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.550 -3.902 14.148 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.265 -3.867 13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.825 -2.396 14.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.585 -4.093 15.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.951 -3.739 15.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.377 -5.164 15.174 1.00 0.00 H new ATOM 623 N LYS A 37 -2.975 -4.223 11.039 1.00 0.00 N ATOM 624 CA LYS A 37 -3.838 -3.042 11.049 1.00 0.00 C ATOM 625 C LYS A 37 -3.355 -1.999 12.054 1.00 0.00 C ATOM 626 O LYS A 37 -3.988 -1.768 13.082 1.00 0.00 O ATOM 627 CB LYS A 37 -5.296 -3.427 11.338 1.00 0.00 C ATOM 628 CG LYS A 37 -5.497 -4.179 12.643 1.00 0.00 C ATOM 629 CD LYS A 37 -6.971 -4.307 12.996 1.00 0.00 C ATOM 630 CE LYS A 37 -7.286 -3.655 14.333 1.00 0.00 C ATOM 631 NZ LYS A 37 -6.979 -4.559 15.476 1.00 0.00 N ATOM 0 H LYS A 37 -2.638 -4.478 10.111 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.787 -2.598 10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.902 -2.521 11.357 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.667 -4.041 10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.054 -5.172 12.563 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.974 -3.660 13.446 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.574 -3.845 12.214 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.247 -5.361 13.031 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.711 -2.735 14.433 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.340 -3.377 14.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.207 -4.078 16.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.547 -5.427 15.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.968 -4.804 15.463 1.00 0.00 H new ATOM 645 N GLU A 38 -2.231 -1.364 11.736 1.00 0.00 N ATOM 646 CA GLU A 38 -1.663 -0.334 12.597 1.00 0.00 C ATOM 647 C GLU A 38 -2.361 1.005 12.367 1.00 0.00 C ATOM 648 O GLU A 38 -2.711 1.342 11.235 1.00 0.00 O ATOM 649 CB GLU A 38 -0.161 -0.190 12.330 1.00 0.00 C ATOM 650 CG GLU A 38 0.668 -0.010 13.591 1.00 0.00 C ATOM 651 CD GLU A 38 1.030 1.440 13.849 1.00 0.00 C ATOM 652 OE1 GLU A 38 1.288 2.172 12.869 1.00 0.00 O ATOM 653 OE2 GLU A 38 1.055 1.844 15.031 1.00 0.00 O ATOM 0 H GLU A 38 -1.695 -1.545 10.887 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.814 -0.633 13.634 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.191 -1.073 11.797 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.002 0.664 11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.113 -0.400 14.445 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.581 -0.599 13.508 1.00 0.00 H new ATOM 660 N PRO A 39 -2.575 1.791 13.436 1.00 0.00 N ATOM 661 CA PRO A 39 -3.235 3.097 13.331 1.00 0.00 C ATOM 662 C PRO A 39 -2.459 4.063 12.443 1.00 0.00 C ATOM 663 O PRO A 39 -1.427 4.602 12.845 1.00 0.00 O ATOM 664 CB PRO A 39 -3.269 3.609 14.776 1.00 0.00 C ATOM 665 CG PRO A 39 -2.226 2.821 15.493 1.00 0.00 C ATOM 666 CD PRO A 39 -2.193 1.478 14.823 1.00 0.00 C ATOM 0 HA PRO A 39 -4.222 3.015 12.876 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.056 4.677 14.821 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.252 3.461 15.224 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.255 3.312 15.432 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.468 2.724 16.551 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.203 1.024 14.877 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.890 0.779 15.286 1.00 0.00 H new ATOM 674 N LEU A 40 -2.961 4.277 11.231 1.00 0.00 N ATOM 675 CA LEU A 40 -2.314 5.175 10.282 1.00 0.00 C ATOM 676 C LEU A 40 -2.404 6.624 10.752 1.00 0.00 C ATOM 677 O LEU A 40 -3.448 7.067 11.233 1.00 0.00 O ATOM 678 CB LEU A 40 -2.951 5.037 8.897 1.00 0.00 C ATOM 679 CG LEU A 40 -2.833 3.648 8.266 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.768 3.525 7.073 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.397 3.372 7.852 1.00 0.00 C ATOM 0 H LEU A 40 -3.815 3.840 10.883 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.262 4.896 10.220 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.007 5.297 8.972 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.490 5.764 8.228 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.124 2.905 9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.671 2.531 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.796 3.680 7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.507 4.276 6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.331 2.380 7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.078 4.119 7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.750 3.419 8.728 1.00 0.00 H new ATOM 693 N ASP A 41 -1.306 7.356 10.609 1.00 0.00 N ATOM 694 CA ASP A 41 -1.259 8.755 11.016 1.00 0.00 C ATOM 695 C ASP A 41 -1.737 9.665 9.887 1.00 0.00 C ATOM 696 O ASP A 41 -1.717 9.280 8.719 1.00 0.00 O ATOM 697 CB ASP A 41 0.163 9.140 11.429 1.00 0.00 C ATOM 698 CG ASP A 41 0.531 8.605 12.800 1.00 0.00 C ATOM 699 OD1 ASP A 41 -0.138 8.983 13.783 1.00 0.00 O ATOM 700 OD2 ASP A 41 1.489 7.807 12.890 1.00 0.00 O ATOM 0 H ASP A 41 -0.435 7.003 10.213 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.925 8.883 11.869 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.869 8.758 10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.257 10.226 11.428 1.00 0.00 H new ATOM 705 N PRO A 42 -2.172 10.892 10.222 1.00 0.00 N ATOM 706 CA PRO A 42 -2.656 11.856 9.227 1.00 0.00 C ATOM 707 C PRO A 42 -1.559 12.284 8.257 1.00 0.00 C ATOM 708 O PRO A 42 -1.835 12.660 7.118 1.00 0.00 O ATOM 709 CB PRO A 42 -3.118 13.050 10.070 1.00 0.00 C ATOM 710 CG PRO A 42 -2.391 12.912 11.363 1.00 0.00 C ATOM 711 CD PRO A 42 -2.229 11.436 11.590 1.00 0.00 C ATOM 0 HA PRO A 42 -3.443 11.432 8.603 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.879 13.995 9.581 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.197 13.033 10.220 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.422 13.409 11.321 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.951 13.373 12.177 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.322 11.212 12.151 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.064 11.021 12.154 1.00 0.00 H new ATOM 719 N GLN A 43 -0.312 12.219 8.714 1.00 0.00 N ATOM 720 CA GLN A 43 0.827 12.598 7.888 1.00 0.00 C ATOM 721 C GLN A 43 1.017 11.619 6.731 1.00 0.00 C ATOM 722 O GLN A 43 1.640 11.951 5.722 1.00 0.00 O ATOM 723 CB GLN A 43 2.100 12.655 8.734 1.00 0.00 C ATOM 724 CG GLN A 43 2.048 13.695 9.840 1.00 0.00 C ATOM 725 CD GLN A 43 3.420 14.238 10.195 1.00 0.00 C ATOM 726 OE1 GLN A 43 3.852 14.162 11.345 1.00 0.00 O ATOM 727 NE2 GLN A 43 4.111 14.791 9.205 1.00 0.00 N ATOM 0 H GLN A 43 -0.066 11.907 9.653 1.00 0.00 H new ATOM 0 HA GLN A 43 0.627 13.586 7.473 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.277 11.675 9.176 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.949 12.869 8.085 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.405 14.518 9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.595 13.254 10.728 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.713 14.832 8.267 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.039 15.174 9.383 1.00 0.00 H new ATOM 736 N PHE A 44 0.477 10.412 6.880 1.00 0.00 N ATOM 737 CA PHE A 44 0.590 9.388 5.847 1.00 0.00 C ATOM 738 C PHE A 44 0.038 9.891 4.515 1.00 0.00 C ATOM 739 O PHE A 44 0.462 9.445 3.449 1.00 0.00 O ATOM 740 CB PHE A 44 -0.152 8.120 6.274 1.00 0.00 C ATOM 741 CG PHE A 44 0.623 7.258 7.231 1.00 0.00 C ATOM 742 CD1 PHE A 44 1.326 7.822 8.284 1.00 0.00 C ATOM 743 CD2 PHE A 44 0.649 5.881 7.075 1.00 0.00 C ATOM 744 CE1 PHE A 44 2.039 7.031 9.164 1.00 0.00 C ATOM 745 CE2 PHE A 44 1.360 5.084 7.952 1.00 0.00 C ATOM 746 CZ PHE A 44 2.056 5.660 8.997 1.00 0.00 C ATOM 0 H PHE A 44 -0.043 10.120 7.707 1.00 0.00 H new ATOM 0 HA PHE A 44 1.647 9.156 5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.098 8.402 6.737 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.394 7.535 5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.316 8.894 8.418 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.108 5.426 6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.582 7.484 9.981 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.371 4.012 7.821 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.613 5.039 9.683 1.00 0.00 H new ATOM 756 N GLN A 45 -0.910 10.821 4.584 1.00 0.00 N ATOM 757 CA GLN A 45 -1.520 11.383 3.383 1.00 0.00 C ATOM 758 C GLN A 45 -2.267 10.309 2.597 1.00 0.00 C ATOM 759 O GLN A 45 -1.937 10.024 1.445 1.00 0.00 O ATOM 760 CB GLN A 45 -0.451 12.034 2.500 1.00 0.00 C ATOM 761 CG GLN A 45 0.508 12.930 3.267 1.00 0.00 C ATOM 762 CD GLN A 45 0.523 14.354 2.745 1.00 0.00 C ATOM 763 OE1 GLN A 45 -0.388 14.777 2.034 1.00 0.00 O ATOM 764 NE2 GLN A 45 1.563 15.102 3.097 1.00 0.00 N ATOM 0 H GLN A 45 -1.272 11.201 5.458 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.238 12.143 3.691 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.119 11.252 1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.941 12.621 1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.229 12.937 4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.514 12.515 3.207 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.296 14.710 3.688 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.628 16.068 2.776 1.00 0.00 H new ATOM 773 N ASP A 46 -3.275 9.718 3.228 1.00 0.00 N ATOM 774 CA ASP A 46 -4.070 8.675 2.590 1.00 0.00 C ATOM 775 C ASP A 46 -5.282 9.273 1.879 1.00 0.00 C ATOM 776 O ASP A 46 -6.404 9.203 2.379 1.00 0.00 O ATOM 777 CB ASP A 46 -4.526 7.649 3.628 1.00 0.00 C ATOM 778 CG ASP A 46 -5.376 8.269 4.722 1.00 0.00 C ATOM 779 OD1 ASP A 46 -5.304 9.503 4.901 1.00 0.00 O ATOM 780 OD2 ASP A 46 -6.110 7.519 5.400 1.00 0.00 O ATOM 0 H ASP A 46 -3.561 9.943 4.181 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.446 8.178 1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.095 6.863 3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.652 7.176 4.075 1.00 0.00 H new ATOM 785 N HIS A 47 -5.047 9.858 0.709 1.00 0.00 N ATOM 786 CA HIS A 47 -6.120 10.466 -0.070 1.00 0.00 C ATOM 787 C HIS A 47 -6.151 9.908 -1.487 1.00 0.00 C ATOM 788 O HIS A 47 -5.395 8.996 -1.824 1.00 0.00 O ATOM 789 CB HIS A 47 -5.952 11.988 -0.111 1.00 0.00 C ATOM 790 CG HIS A 47 -6.860 12.717 0.830 1.00 0.00 C ATOM 791 ND1 HIS A 47 -7.470 12.111 1.909 1.00 0.00 N ATOM 792 CD2 HIS A 47 -7.264 14.009 0.849 1.00 0.00 C ATOM 793 CE1 HIS A 47 -8.208 12.999 2.550 1.00 0.00 C ATOM 794 NE2 HIS A 47 -8.100 14.158 1.928 1.00 0.00 N ATOM 0 H HIS A 47 -4.124 9.924 0.280 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.066 10.225 0.415 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.918 12.238 0.128 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.138 12.338 -1.126 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -7.367 11.131 2.171 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.981 14.779 0.146 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -8.800 12.809 3.433 1.00 0.00 H new ATOM 803 N ALA A 48 -7.030 10.463 -2.316 1.00 0.00 N ATOM 804 CA ALA A 48 -7.164 10.022 -3.699 1.00 0.00 C ATOM 805 C ALA A 48 -6.077 10.626 -4.579 1.00 0.00 C ATOM 806 O ALA A 48 -5.378 11.555 -4.172 1.00 0.00 O ATOM 807 CB ALA A 48 -8.541 10.384 -4.235 1.00 0.00 C ATOM 0 H ALA A 48 -7.661 11.220 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.049 8.938 -3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.629 10.049 -5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.306 9.898 -3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.676 11.465 -4.191 1.00 0.00 H new ATOM 813 N LEU A 49 -5.936 10.092 -5.788 1.00 0.00 N ATOM 814 CA LEU A 49 -4.936 10.578 -6.729 1.00 0.00 C ATOM 815 C LEU A 49 -5.583 11.420 -7.823 1.00 0.00 C ATOM 816 O LEU A 49 -6.748 11.804 -7.717 1.00 0.00 O ATOM 817 CB LEU A 49 -4.181 9.401 -7.353 1.00 0.00 C ATOM 818 CG LEU A 49 -3.754 8.310 -6.370 1.00 0.00 C ATOM 819 CD1 LEU A 49 -4.924 7.395 -6.046 1.00 0.00 C ATOM 820 CD2 LEU A 49 -2.589 7.510 -6.933 1.00 0.00 C ATOM 0 H LEU A 49 -6.504 9.321 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.231 11.205 -6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.811 8.951 -8.120 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.293 9.784 -7.855 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.427 8.788 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.601 6.625 -5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.729 7.978 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.282 6.925 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.299 6.738 -6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.888 7.043 -7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.744 8.175 -7.112 1.00 0.00 H new ATOM 832 N LYS A 50 -4.822 11.705 -8.875 1.00 0.00 N ATOM 833 CA LYS A 50 -5.325 12.503 -9.988 1.00 0.00 C ATOM 834 C LYS A 50 -5.134 11.770 -11.312 1.00 0.00 C ATOM 835 O LYS A 50 -4.212 10.969 -11.462 1.00 0.00 O ATOM 836 CB LYS A 50 -4.617 13.858 -10.035 1.00 0.00 C ATOM 837 CG LYS A 50 -4.465 14.513 -8.670 1.00 0.00 C ATOM 838 CD LYS A 50 -3.002 14.672 -8.285 1.00 0.00 C ATOM 839 CE LYS A 50 -2.307 15.704 -9.157 1.00 0.00 C ATOM 840 NZ LYS A 50 -2.615 17.095 -8.723 1.00 0.00 N ATOM 0 H LYS A 50 -3.856 11.396 -8.980 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.392 12.665 -9.833 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.630 13.728 -10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.175 14.527 -10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.948 15.490 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.976 13.912 -7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.930 14.970 -7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.493 13.713 -8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.230 15.543 -9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.616 15.570 -10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.122 17.769 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.641 17.258 -8.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.298 17.231 -7.742 1.00 0.00 H new ATOM 854 N GLY A 51 -6.012 12.052 -12.270 1.00 0.00 N ATOM 855 CA GLY A 51 -5.921 11.414 -13.569 1.00 0.00 C ATOM 856 C GLY A 51 -6.752 10.147 -13.655 1.00 0.00 C ATOM 857 O GLY A 51 -7.896 10.116 -13.202 1.00 0.00 O ATOM 0 H GLY A 51 -6.784 12.711 -12.169 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.251 12.113 -14.337 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.879 11.176 -13.781 1.00 0.00 H new ATOM 861 N LYS A 52 -6.175 9.101 -14.237 1.00 0.00 N ATOM 862 CA LYS A 52 -6.867 7.825 -14.384 1.00 0.00 C ATOM 863 C LYS A 52 -7.040 7.127 -13.035 1.00 0.00 C ATOM 864 O LYS A 52 -7.781 6.151 -12.925 1.00 0.00 O ATOM 865 CB LYS A 52 -6.102 6.916 -15.347 1.00 0.00 C ATOM 866 CG LYS A 52 -7.005 6.104 -16.263 1.00 0.00 C ATOM 867 CD LYS A 52 -6.716 6.386 -17.729 1.00 0.00 C ATOM 868 CE LYS A 52 -5.712 5.397 -18.298 1.00 0.00 C ATOM 869 NZ LYS A 52 -4.329 5.666 -17.815 1.00 0.00 N ATOM 0 H LYS A 52 -5.228 9.112 -14.615 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.858 8.028 -14.791 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.434 7.525 -15.956 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.476 6.235 -14.771 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.867 5.042 -16.062 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.048 6.336 -16.046 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.643 6.335 -18.300 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.331 7.400 -17.837 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.003 4.384 -18.019 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.732 5.446 -19.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.666 5.013 -18.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.066 6.646 -18.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.288 5.528 -16.785 1.00 0.00 H new ATOM 883 N TRP A 53 -6.352 7.628 -12.011 1.00 0.00 N ATOM 884 CA TRP A 53 -6.436 7.046 -10.677 1.00 0.00 C ATOM 885 C TRP A 53 -7.442 7.800 -9.814 1.00 0.00 C ATOM 886 O TRP A 53 -7.216 8.021 -8.625 1.00 0.00 O ATOM 887 CB TRP A 53 -5.060 7.054 -10.007 1.00 0.00 C ATOM 888 CG TRP A 53 -4.015 6.325 -10.792 1.00 0.00 C ATOM 889 CD1 TRP A 53 -3.607 5.034 -10.612 1.00 0.00 C ATOM 890 CD2 TRP A 53 -3.243 6.843 -11.882 1.00 0.00 C ATOM 891 NE1 TRP A 53 -2.628 4.717 -11.524 1.00 0.00 N ATOM 892 CE2 TRP A 53 -2.387 5.812 -12.315 1.00 0.00 C ATOM 893 CE3 TRP A 53 -3.192 8.077 -12.534 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -1.493 5.978 -13.368 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -2.305 8.241 -13.581 1.00 0.00 C ATOM 896 CH2 TRP A 53 -1.466 7.199 -13.989 1.00 0.00 C ATOM 0 H TRP A 53 -5.732 8.435 -12.081 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.776 6.016 -10.779 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.741 8.086 -9.861 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.142 6.603 -9.018 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -3.996 4.361 -9.863 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.158 3.815 -11.600 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.834 8.889 -12.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.844 5.174 -13.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.259 9.191 -14.093 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.783 7.360 -14.810 1.00 0.00 H new ATOM 907 N LYS A 54 -8.553 8.195 -10.427 1.00 0.00 N ATOM 908 CA LYS A 54 -9.598 8.929 -9.722 1.00 0.00 C ATOM 909 C LYS A 54 -10.370 8.022 -8.765 1.00 0.00 C ATOM 910 O LYS A 54 -10.549 8.359 -7.595 1.00 0.00 O ATOM 911 CB LYS A 54 -10.561 9.571 -10.723 1.00 0.00 C ATOM 912 CG LYS A 54 -11.048 10.947 -10.302 1.00 0.00 C ATOM 913 CD LYS A 54 -12.021 11.529 -11.316 1.00 0.00 C ATOM 914 CE LYS A 54 -11.295 12.083 -12.530 1.00 0.00 C ATOM 915 NZ LYS A 54 -11.118 13.560 -12.445 1.00 0.00 N ATOM 0 H LYS A 54 -8.753 8.019 -11.412 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.116 9.709 -9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.066 9.650 -11.691 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.422 8.916 -10.858 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.533 10.880 -9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.196 11.617 -10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.724 10.758 -11.632 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.606 12.321 -10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.319 11.605 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.855 11.836 -13.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.619 13.899 -13.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.050 14.018 -12.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.562 13.795 -11.598 1.00 0.00 H new ATOM 929 N PRO A 55 -10.846 6.858 -9.245 1.00 0.00 N ATOM 930 CA PRO A 55 -11.604 5.919 -8.414 1.00 0.00 C ATOM 931 C PRO A 55 -10.724 5.153 -7.427 1.00 0.00 C ATOM 932 O PRO A 55 -11.218 4.324 -6.662 1.00 0.00 O ATOM 933 CB PRO A 55 -12.221 4.963 -9.434 1.00 0.00 C ATOM 934 CG PRO A 55 -11.281 4.983 -10.588 1.00 0.00 C ATOM 935 CD PRO A 55 -10.692 6.368 -10.631 1.00 0.00 C ATOM 0 HA PRO A 55 -12.335 6.434 -7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.323 3.958 -9.024 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.218 5.289 -9.730 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.500 4.232 -10.466 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.802 4.753 -11.518 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.645 6.349 -10.935 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.218 7.005 -11.342 1.00 0.00 H new ATOM 943 N PHE A 56 -9.423 5.433 -7.440 1.00 0.00 N ATOM 944 CA PHE A 56 -8.494 4.763 -6.536 1.00 0.00 C ATOM 945 C PHE A 56 -8.114 5.676 -5.375 1.00 0.00 C ATOM 946 O PHE A 56 -8.574 6.816 -5.292 1.00 0.00 O ATOM 947 CB PHE A 56 -7.236 4.325 -7.288 1.00 0.00 C ATOM 948 CG PHE A 56 -7.468 3.181 -8.233 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.974 1.977 -7.772 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.180 3.310 -9.583 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.189 0.922 -8.639 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.393 2.259 -10.455 1.00 0.00 C ATOM 953 CZ PHE A 56 -7.898 1.062 -9.982 1.00 0.00 C ATOM 0 H PHE A 56 -8.991 6.115 -8.063 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.992 3.880 -6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.843 5.174 -7.848 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.472 4.039 -6.565 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.203 1.861 -6.723 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.785 4.243 -9.958 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.584 -0.011 -8.266 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.165 2.373 -11.505 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.065 0.239 -10.661 1.00 0.00 H new ATOM 963 N ARG A 57 -7.272 5.168 -4.481 1.00 0.00 N ATOM 964 CA ARG A 57 -6.830 5.939 -3.324 1.00 0.00 C ATOM 965 C ARG A 57 -5.401 5.571 -2.941 1.00 0.00 C ATOM 966 O ARG A 57 -5.048 4.394 -2.884 1.00 0.00 O ATOM 967 CB ARG A 57 -7.767 5.702 -2.137 1.00 0.00 C ATOM 968 CG ARG A 57 -7.490 6.610 -0.952 1.00 0.00 C ATOM 969 CD ARG A 57 -8.779 7.103 -0.313 1.00 0.00 C ATOM 970 NE ARG A 57 -9.489 8.048 -1.172 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.772 8.366 -1.024 1.00 0.00 C ATOM 972 NH1 ARG A 57 -11.492 7.816 -0.054 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.339 9.235 -1.850 1.00 0.00 N ATOM 0 H ARG A 57 -6.882 4.227 -4.535 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.855 6.996 -3.591 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.797 5.848 -2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.679 4.664 -1.817 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.898 6.072 -0.211 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.895 7.463 -1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.426 6.252 -0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.552 7.580 0.640 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.970 8.490 -1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.062 7.145 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.475 8.064 0.054 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.791 9.659 -2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.323 9.479 -1.737 1.00 0.00 H new ATOM 987 N GLU A 58 -4.583 6.586 -2.684 1.00 0.00 N ATOM 988 CA GLU A 58 -3.191 6.368 -2.309 1.00 0.00 C ATOM 989 C GLU A 58 -3.024 6.386 -0.793 1.00 0.00 C ATOM 990 O GLU A 58 -3.895 6.866 -0.068 1.00 0.00 O ATOM 991 CB GLU A 58 -2.296 7.434 -2.947 1.00 0.00 C ATOM 992 CG GLU A 58 -1.018 6.873 -3.548 1.00 0.00 C ATOM 993 CD GLU A 58 -0.259 7.900 -4.367 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.045 8.984 -3.825 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.031 7.620 -5.548 1.00 0.00 O ATOM 0 H GLU A 58 -4.860 7.567 -2.728 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.892 5.386 -2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.858 7.950 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.038 8.178 -2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.376 6.505 -2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.262 6.019 -4.179 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.899 5.860 -0.321 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.613 5.816 1.108 1.00 0.00 C ATOM 1004 C CYS A 59 -0.135 5.542 1.357 1.00 0.00 C ATOM 1005 O CYS A 59 0.338 4.421 1.176 1.00 0.00 O ATOM 1006 CB CYS A 59 -2.464 4.742 1.785 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.435 4.808 3.592 1.00 0.00 S ATOM 0 H CYS A 59 -1.169 5.457 -0.909 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.861 6.788 1.534 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.495 4.842 1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.116 3.761 1.462 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.186 3.862 4.073 1.00 0.00 H new ATOM 1013 N HIS A 60 0.592 6.576 1.768 1.00 0.00 N ATOM 1014 CA HIS A 60 2.019 6.449 2.040 1.00 0.00 C ATOM 1015 C HIS A 60 2.261 5.942 3.458 1.00 0.00 C ATOM 1016 O HIS A 60 2.298 6.724 4.409 1.00 0.00 O ATOM 1017 CB HIS A 60 2.717 7.795 1.839 1.00 0.00 C ATOM 1018 CG HIS A 60 2.314 8.498 0.580 1.00 0.00 C ATOM 1019 ND1 HIS A 60 2.743 9.769 0.257 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.518 8.101 -0.442 1.00 0.00 C ATOM 1021 CE1 HIS A 60 2.225 10.123 -0.907 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.479 9.129 -1.351 1.00 0.00 N ATOM 0 H HIS A 60 0.216 7.512 1.920 1.00 0.00 H new ATOM 0 HA HIS A 60 2.435 5.723 1.341 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.498 8.439 2.691 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.795 7.637 1.828 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.009 7.152 -0.526 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.385 11.066 -1.409 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.958 9.125 -2.228 1.00 0.00 H new ATOM 1031 N ILE A 61 2.432 4.631 3.594 1.00 0.00 N ATOM 1032 CA ILE A 61 2.675 4.023 4.897 1.00 0.00 C ATOM 1033 C ILE A 61 4.022 4.467 5.463 1.00 0.00 C ATOM 1034 O ILE A 61 4.225 4.468 6.677 1.00 0.00 O ATOM 1035 CB ILE A 61 2.637 2.481 4.814 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.271 2.010 4.312 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.947 1.863 6.171 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.239 1.715 2.827 1.00 0.00 C ATOM 0 H ILE A 61 2.407 3.969 2.818 1.00 0.00 H new ATOM 0 HA ILE A 61 1.879 4.358 5.562 1.00 0.00 H new ATOM 0 HB ILE A 61 3.400 2.155 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.982 1.112 4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.527 2.774 4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.915 0.776 6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.940 2.174 6.494 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.208 2.195 6.900 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.239 1.386 2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.496 2.617 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.958 0.929 2.597 1.00 0.00 H new ATOM 1050 N LYS A 62 4.937 4.844 4.576 1.00 0.00 N ATOM 1051 CA LYS A 62 6.264 5.290 4.987 1.00 0.00 C ATOM 1052 C LYS A 62 6.726 6.471 4.136 1.00 0.00 C ATOM 1053 O LYS A 62 6.097 6.805 3.132 1.00 0.00 O ATOM 1054 CB LYS A 62 7.266 4.140 4.875 1.00 0.00 C ATOM 1055 CG LYS A 62 7.257 3.206 6.076 1.00 0.00 C ATOM 1056 CD LYS A 62 8.658 2.723 6.421 1.00 0.00 C ATOM 1057 CE LYS A 62 9.197 3.413 7.667 1.00 0.00 C ATOM 1058 NZ LYS A 62 10.266 4.397 7.339 1.00 0.00 N ATOM 0 H LYS A 62 4.784 4.850 3.568 1.00 0.00 H new ATOM 0 HA LYS A 62 6.209 5.614 6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.047 3.564 3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.268 4.552 4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.827 3.721 6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.617 2.349 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.643 1.645 6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.326 2.913 5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.382 3.921 8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.591 2.665 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.127 4.166 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.471 4.360 6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.947 5.354 7.593 1.00 0.00 H new ATOM 1072 N PRO A 63 7.836 7.123 4.528 1.00 0.00 N ATOM 1073 CA PRO A 63 8.381 8.274 3.799 1.00 0.00 C ATOM 1074 C PRO A 63 9.002 7.887 2.456 1.00 0.00 C ATOM 1075 O PRO A 63 9.516 8.741 1.734 1.00 0.00 O ATOM 1076 CB PRO A 63 9.460 8.834 4.743 1.00 0.00 C ATOM 1077 CG PRO A 63 9.267 8.125 6.043 1.00 0.00 C ATOM 1078 CD PRO A 63 8.644 6.802 5.709 1.00 0.00 C ATOM 0 HA PRO A 63 7.598 8.991 3.552 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.459 8.656 4.345 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.352 9.912 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.218 7.989 6.557 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.624 8.701 6.709 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.395 6.042 5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.033 6.422 6.528 1.00 0.00 H new ATOM 1086 N ASP A 64 8.945 6.604 2.126 1.00 0.00 N ATOM 1087 CA ASP A 64 9.498 6.110 0.870 1.00 0.00 C ATOM 1088 C ASP A 64 8.641 4.978 0.309 1.00 0.00 C ATOM 1089 O ASP A 64 9.120 4.146 -0.461 1.00 0.00 O ATOM 1090 CB ASP A 64 10.936 5.628 1.077 1.00 0.00 C ATOM 1091 CG ASP A 64 11.900 6.244 0.081 1.00 0.00 C ATOM 1092 OD1 ASP A 64 11.968 5.750 -1.063 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.589 7.219 0.448 1.00 0.00 O ATOM 0 H ASP A 64 8.521 5.884 2.711 1.00 0.00 H new ATOM 0 HA ASP A 64 9.499 6.930 0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.257 5.874 2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.969 4.542 0.987 1.00 0.00 H new ATOM 1098 N VAL A 65 7.369 4.955 0.700 1.00 0.00 N ATOM 1099 CA VAL A 65 6.445 3.927 0.238 1.00 0.00 C ATOM 1100 C VAL A 65 5.099 4.535 -0.140 1.00 0.00 C ATOM 1101 O VAL A 65 4.709 5.580 0.383 1.00 0.00 O ATOM 1102 CB VAL A 65 6.223 2.845 1.310 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.345 1.725 0.771 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.555 2.295 1.795 1.00 0.00 C ATOM 0 H VAL A 65 6.956 5.637 1.336 1.00 0.00 H new ATOM 0 HA VAL A 65 6.896 3.466 -0.641 1.00 0.00 H new ATOM 0 HB VAL A 65 5.710 3.302 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.201 0.971 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.378 2.131 0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.827 1.269 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.379 1.531 2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.095 1.856 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.147 3.103 2.225 1.00 0.00 H new ATOM 1114 N LEU A 66 4.395 3.873 -1.050 1.00 0.00 N ATOM 1115 CA LEU A 66 3.091 4.348 -1.499 1.00 0.00 C ATOM 1116 C LEU A 66 2.164 3.176 -1.804 1.00 0.00 C ATOM 1117 O LEU A 66 2.391 2.423 -2.752 1.00 0.00 O ATOM 1118 CB LEU A 66 3.244 5.233 -2.739 1.00 0.00 C ATOM 1119 CG LEU A 66 4.516 6.081 -2.778 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.758 6.618 -4.181 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.426 7.224 -1.776 1.00 0.00 C ATOM 0 H LEU A 66 4.704 3.007 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 66 2.649 4.938 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.222 4.598 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.382 5.897 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 66 5.360 5.448 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.667 7.219 -4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.867 5.785 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.913 7.235 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.340 7.817 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.572 7.856 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.302 6.819 -0.772 1.00 0.00 H new ATOM 1133 N LEU A 67 1.125 3.024 -0.993 1.00 0.00 N ATOM 1134 CA LEU A 67 0.164 1.941 -1.172 1.00 0.00 C ATOM 1135 C LEU A 67 -1.156 2.467 -1.726 1.00 0.00 C ATOM 1136 O LEU A 67 -1.735 3.413 -1.191 1.00 0.00 O ATOM 1137 CB LEU A 67 -0.073 1.223 0.159 1.00 0.00 C ATOM 1138 CG LEU A 67 -1.252 0.242 0.183 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.297 -0.589 -1.093 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -1.164 -0.663 1.404 1.00 0.00 C ATOM 0 H LEU A 67 0.925 3.638 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 67 0.578 1.234 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.834 0.680 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.233 1.974 0.933 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.174 0.821 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.142 -1.276 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.409 0.071 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.372 -1.157 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.008 -1.353 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.233 -1.228 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.189 -0.056 2.309 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.630 1.843 -2.800 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.885 2.241 -3.423 1.00 0.00 C ATOM 1154 C VAL A 68 -3.970 1.201 -3.165 1.00 0.00 C ATOM 1155 O VAL A 68 -3.738 0.001 -3.304 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.721 2.438 -4.944 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -4.041 2.844 -5.584 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.643 3.472 -5.232 1.00 0.00 C ATOM 0 H VAL A 68 -1.163 1.059 -3.256 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.179 3.191 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.414 1.488 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.900 2.977 -6.657 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.784 2.066 -5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.386 3.780 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.540 3.599 -6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.921 4.424 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.695 3.135 -4.814 1.00 0.00 H new ATOM 1168 N TYR A 69 -5.152 1.671 -2.784 1.00 0.00 N ATOM 1169 CA TYR A 69 -6.273 0.781 -2.503 1.00 0.00 C ATOM 1170 C TYR A 69 -7.590 1.409 -2.946 1.00 0.00 C ATOM 1171 O TYR A 69 -7.657 2.610 -3.211 1.00 0.00 O ATOM 1172 CB TYR A 69 -6.323 0.451 -1.010 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.246 1.667 -0.115 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.244 2.635 -0.135 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -5.178 1.847 0.753 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.178 3.746 0.683 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -5.104 2.955 1.575 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.107 3.902 1.537 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.036 5.007 2.353 1.00 0.00 O ATOM 0 H TYR A 69 -5.359 2.662 -2.663 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.127 -0.141 -3.066 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.246 -0.088 -0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.499 -0.220 -0.768 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.085 2.516 -0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.391 1.108 0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.961 4.489 0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.265 3.079 2.244 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.336 5.798 1.859 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.636 0.592 -3.022 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.951 1.072 -3.432 1.00 0.00 C ATOM 1191 C LEU A 70 -10.850 1.296 -2.220 1.00 0.00 C ATOM 1192 O LEU A 70 -10.630 0.720 -1.156 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.607 0.076 -4.390 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.550 0.698 -5.423 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.770 1.541 -6.420 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -12.339 -0.385 -6.142 1.00 0.00 C ATOM 0 H LEU A 70 -8.599 -0.404 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.818 2.024 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.823 -0.469 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.165 -0.655 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.252 1.348 -4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.458 1.975 -7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.249 2.339 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.044 0.914 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.005 0.074 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.651 -1.059 -6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.928 -0.947 -5.418 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.863 2.139 -2.391 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.796 2.441 -1.312 1.00 0.00 C ATOM 1210 C VAL A 71 -14.190 1.911 -1.627 1.00 0.00 C ATOM 1211 O VAL A 71 -14.920 2.492 -2.429 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.885 3.956 -1.053 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.700 4.239 0.199 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.493 4.561 -0.939 1.00 0.00 C ATOM 0 H VAL A 71 -12.059 2.625 -3.266 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.414 1.948 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.391 4.420 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.751 5.315 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.708 3.843 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.226 3.762 1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.576 5.632 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.959 4.092 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.946 4.393 -1.867 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.555 0.804 -0.988 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.864 0.195 -1.199 1.00 0.00 C ATOM 1226 C LYS A 72 -16.922 0.876 -0.335 1.00 0.00 C ATOM 1227 O LYS A 72 -16.596 1.560 0.635 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.810 -1.302 -0.888 1.00 0.00 C ATOM 1229 CG LYS A 72 -16.545 -2.162 -1.904 1.00 0.00 C ATOM 1230 CD LYS A 72 -17.304 -3.295 -1.233 1.00 0.00 C ATOM 1231 CE LYS A 72 -18.000 -4.181 -2.255 1.00 0.00 C ATOM 1232 NZ LYS A 72 -17.028 -4.980 -3.052 1.00 0.00 N ATOM 0 H LYS A 72 -13.963 0.310 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.138 0.327 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.768 -1.618 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.238 -1.475 0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.240 -1.543 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.831 -2.574 -2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.614 -3.895 -0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.042 -2.883 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.689 -4.853 -1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.597 -3.562 -2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.541 -5.678 -3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.488 -4.347 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.375 -5.473 -2.410 1.00 0.00 H new ATOM 1246 N ASP A 73 -18.190 0.685 -0.695 1.00 0.00 N ATOM 1247 CA ASP A 73 -19.304 1.283 0.039 1.00 0.00 C ATOM 1248 C ASP A 73 -19.114 1.149 1.549 1.00 0.00 C ATOM 1249 O ASP A 73 -19.482 2.042 2.312 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.622 0.630 -0.378 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.897 0.779 -1.861 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -21.300 1.883 -2.283 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -20.707 -0.208 -2.603 1.00 0.00 O ATOM 0 H ASP A 73 -18.472 0.118 -1.494 1.00 0.00 H new ATOM 0 HA ASP A 73 -19.332 2.345 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.597 -0.429 -0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -21.440 1.076 0.187 1.00 0.00 H new ATOM 1258 N ASP A 74 -18.540 0.029 1.972 1.00 0.00 N ATOM 1259 CA ASP A 74 -18.300 -0.218 3.388 1.00 0.00 C ATOM 1260 C ASP A 74 -17.161 -1.213 3.579 1.00 0.00 C ATOM 1261 O ASP A 74 -17.133 -1.960 4.557 1.00 0.00 O ATOM 1262 CB ASP A 74 -19.571 -0.746 4.058 1.00 0.00 C ATOM 1263 CG ASP A 74 -20.051 -2.046 3.444 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -19.957 -2.189 2.208 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -20.521 -2.922 4.201 1.00 0.00 O ATOM 0 H ASP A 74 -18.232 -0.722 1.355 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.017 0.726 3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.382 -0.897 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -20.359 0.003 3.978 1.00 0.00 H new ATOM 1270 N GLU A 75 -16.223 -1.220 2.636 1.00 0.00 N ATOM 1271 CA GLU A 75 -15.082 -2.125 2.700 1.00 0.00 C ATOM 1272 C GLU A 75 -13.879 -1.533 1.972 1.00 0.00 C ATOM 1273 O GLU A 75 -14.029 -0.687 1.090 1.00 0.00 O ATOM 1274 CB GLU A 75 -15.444 -3.480 2.085 1.00 0.00 C ATOM 1275 CG GLU A 75 -16.512 -4.237 2.860 1.00 0.00 C ATOM 1276 CD GLU A 75 -16.941 -5.515 2.168 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -16.310 -5.885 1.154 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -17.909 -6.150 2.638 1.00 0.00 O ATOM 0 H GLU A 75 -16.231 -0.609 1.819 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.820 -2.266 3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.791 -3.324 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.546 -4.094 2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.133 -4.476 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.381 -3.593 2.997 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.687 -1.986 2.343 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.459 -1.506 1.721 1.00 0.00 C ATOM 1287 C LEU A 76 -10.705 -2.654 1.060 1.00 0.00 C ATOM 1288 O LEU A 76 -10.635 -3.757 1.602 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.565 -0.822 2.758 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.504 0.114 2.179 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -10.139 1.411 1.701 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -8.423 0.397 3.213 1.00 0.00 C ATOM 0 H LEU A 76 -12.545 -2.685 3.072 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.729 -0.780 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.196 -0.253 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -10.067 -1.590 3.349 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.042 -0.377 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.368 2.064 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.876 1.192 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.628 1.907 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.676 1.065 2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.871 0.868 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.947 -0.538 3.508 1.00 0.00 H new ATOM 1304 N ILE A 77 -10.144 -2.391 -0.115 1.00 0.00 N ATOM 1305 CA ILE A 77 -9.399 -3.405 -0.849 1.00 0.00 C ATOM 1306 C ILE A 77 -8.070 -2.853 -1.359 1.00 0.00 C ATOM 1307 O ILE A 77 -8.030 -1.810 -2.010 1.00 0.00 O ATOM 1308 CB ILE A 77 -10.219 -3.953 -2.037 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.346 -2.896 -3.137 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.595 -4.402 -1.567 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.377 -3.099 -4.281 1.00 0.00 C ATOM 0 H ILE A 77 -10.191 -1.484 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.199 -4.220 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.695 -4.815 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.364 -2.908 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.183 -1.910 -2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -12.162 -4.786 -2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.486 -5.187 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.124 -3.555 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.522 -2.315 -5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.355 -3.057 -3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.555 -4.071 -4.740 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.986 -3.561 -1.059 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.659 -3.142 -1.489 1.00 0.00 C ATOM 1325 C LEU A 78 -5.499 -3.301 -2.998 1.00 0.00 C ATOM 1326 O LEU A 78 -5.961 -4.282 -3.580 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.583 -3.950 -0.760 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.613 -3.839 0.766 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -3.426 -4.568 1.378 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.623 -2.380 1.194 1.00 0.00 C ATOM 0 H LEU A 78 -7.001 -4.427 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.541 -2.087 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.689 -4.999 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.604 -3.625 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.528 -4.309 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.464 -4.478 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.463 -5.621 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.499 -4.128 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.644 -2.320 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.726 -1.885 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.506 -1.887 0.786 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.845 -2.328 -3.625 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.629 -2.361 -5.067 1.00 0.00 C ATOM 1344 C LEU A 79 -3.202 -2.788 -5.398 1.00 0.00 C ATOM 1345 O LEU A 79 -2.970 -3.910 -5.848 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.927 -0.990 -5.680 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.993 -0.990 -6.777 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.488 -1.718 -8.013 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.279 -1.626 -6.269 1.00 0.00 C ATOM 0 H LEU A 79 -4.456 -1.509 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.311 -3.096 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.245 -0.315 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.003 -0.584 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.205 0.043 -7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.260 -1.708 -8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.594 -1.220 -8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.247 -2.749 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.027 -1.618 -7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.082 -2.655 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.651 -1.062 -5.414 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.249 -1.889 -5.176 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.848 -2.183 -5.456 1.00 0.00 C ATOM 1363 C ARG A 80 0.081 -1.360 -4.568 1.00 0.00 C ATOM 1364 O ARG A 80 -0.367 -0.497 -3.814 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.535 -1.913 -6.931 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.596 -0.441 -7.312 1.00 0.00 C ATOM 1367 CD ARG A 80 -1.958 -0.064 -7.870 1.00 0.00 C ATOM 1368 NE ARG A 80 -1.875 0.384 -9.258 1.00 0.00 N ATOM 1369 CZ ARG A 80 -1.208 1.469 -9.647 1.00 0.00 C ATOM 1370 NH1 ARG A 80 -0.582 2.229 -8.756 1.00 0.00 N ATOM 1371 NH2 ARG A 80 -1.172 1.799 -10.931 1.00 0.00 N ATOM 0 H ARG A 80 -2.420 -0.955 -4.805 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.679 -3.238 -5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.460 -2.297 -7.158 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.240 -2.468 -7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.378 0.171 -6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.174 -0.224 -8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.627 -0.922 -7.805 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.394 0.726 -7.259 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.356 -0.166 -9.970 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.610 1.983 -7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.073 3.059 -9.061 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.655 1.222 -11.620 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.661 2.630 -11.230 1.00 0.00 H new ATOM 1385 N LEU A 81 1.378 -1.635 -4.667 1.00 0.00 N ATOM 1386 CA LEU A 81 2.377 -0.924 -3.877 1.00 0.00 C ATOM 1387 C LEU A 81 3.387 -0.226 -4.781 1.00 0.00 C ATOM 1388 O LEU A 81 3.796 -0.770 -5.807 1.00 0.00 O ATOM 1389 CB LEU A 81 3.099 -1.896 -2.940 1.00 0.00 C ATOM 1390 CG LEU A 81 3.868 -1.241 -1.792 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.075 -0.478 -2.319 1.00 0.00 C ATOM 1392 CD2 LEU A 81 2.956 -0.318 -0.998 1.00 0.00 C ATOM 0 H LEU A 81 1.762 -2.347 -5.288 1.00 0.00 H new ATOM 0 HA LEU A 81 1.866 -0.167 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.365 -2.583 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.795 -2.494 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 81 4.226 -2.027 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.608 -0.020 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.740 -1.165 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.742 0.298 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.520 0.139 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.567 0.461 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.127 -0.893 -0.586 1.00 0.00 H new ATOM 1404 N GLY A 82 3.786 0.982 -4.396 1.00 0.00 N ATOM 1405 CA GLY A 82 4.744 1.733 -5.184 1.00 0.00 C ATOM 1406 C GLY A 82 5.646 2.602 -4.330 1.00 0.00 C ATOM 1407 O GLY A 82 5.561 2.576 -3.101 1.00 0.00 O ATOM 0 H GLY A 82 3.462 1.454 -3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.355 1.041 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.210 2.361 -5.897 1.00 0.00 H new ATOM 1411 N SER A 83 6.512 3.374 -4.980 1.00 0.00 N ATOM 1412 CA SER A 83 7.433 4.253 -4.271 1.00 0.00 C ATOM 1413 C SER A 83 7.563 5.596 -4.985 1.00 0.00 C ATOM 1414 O SER A 83 6.832 5.879 -5.934 1.00 0.00 O ATOM 1415 CB SER A 83 8.808 3.594 -4.146 1.00 0.00 C ATOM 1416 OG SER A 83 9.555 4.166 -3.086 1.00 0.00 O ATOM 0 H SER A 83 6.594 3.408 -5.996 1.00 0.00 H new ATOM 0 HA SER A 83 7.031 4.429 -3.273 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.687 2.524 -3.974 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.355 3.707 -5.082 1.00 0.00 H new ATOM 0 HG SER A 83 9.105 3.986 -2.234 1.00 0.00 H new ATOM 1422 N HIS A 84 8.500 6.417 -4.521 1.00 0.00 N ATOM 1423 CA HIS A 84 8.727 7.731 -5.115 1.00 0.00 C ATOM 1424 C HIS A 84 9.403 7.605 -6.477 1.00 0.00 C ATOM 1425 O HIS A 84 9.225 8.456 -7.348 1.00 0.00 O ATOM 1426 CB HIS A 84 9.585 8.590 -4.184 1.00 0.00 C ATOM 1427 CG HIS A 84 9.455 10.060 -4.439 1.00 0.00 C ATOM 1428 ND1 HIS A 84 10.325 10.994 -3.918 1.00 0.00 N ATOM 1429 CD2 HIS A 84 8.547 10.758 -5.164 1.00 0.00 C ATOM 1430 CE1 HIS A 84 9.959 12.201 -4.311 1.00 0.00 C ATOM 1431 NE2 HIS A 84 8.885 12.085 -5.068 1.00 0.00 N ATOM 0 H HIS A 84 9.114 6.197 -3.737 1.00 0.00 H new ATOM 0 HA HIS A 84 7.759 8.212 -5.255 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.306 8.382 -3.151 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.630 8.301 -4.296 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.714 10.347 -5.714 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.455 13.126 -4.056 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.386 12.857 -5.511 1.00 0.00 H new ATOM 1440 N SER A 85 10.179 6.542 -6.653 1.00 0.00 N ATOM 1441 CA SER A 85 10.882 6.309 -7.910 1.00 0.00 C ATOM 1442 C SER A 85 10.029 5.486 -8.872 1.00 0.00 C ATOM 1443 O SER A 85 10.230 5.529 -10.086 1.00 0.00 O ATOM 1444 CB SER A 85 12.210 5.595 -7.651 1.00 0.00 C ATOM 1445 OG SER A 85 13.230 6.093 -8.500 1.00 0.00 O ATOM 0 H SER A 85 10.338 5.828 -5.942 1.00 0.00 H new ATOM 0 HA SER A 85 11.080 7.278 -8.369 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.502 5.729 -6.609 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.088 4.524 -7.813 1.00 0.00 H new ATOM 0 HG SER A 85 14.069 5.622 -8.314 1.00 0.00 H new ATOM 1451 N GLU A 86 9.078 4.734 -8.325 1.00 0.00 N ATOM 1452 CA GLU A 86 8.199 3.901 -9.139 1.00 0.00 C ATOM 1453 C GLU A 86 7.002 4.700 -9.644 1.00 0.00 C ATOM 1454 O GLU A 86 6.904 5.008 -10.831 1.00 0.00 O ATOM 1455 CB GLU A 86 7.720 2.690 -8.334 1.00 0.00 C ATOM 1456 CG GLU A 86 7.828 1.377 -9.092 1.00 0.00 C ATOM 1457 CD GLU A 86 6.528 0.986 -9.767 1.00 0.00 C ATOM 1458 OE1 GLU A 86 5.464 1.114 -9.126 1.00 0.00 O ATOM 1459 OE2 GLU A 86 6.573 0.551 -10.937 1.00 0.00 O ATOM 0 H GLU A 86 8.897 4.685 -7.322 1.00 0.00 H new ATOM 0 HA GLU A 86 8.767 3.553 -10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.304 2.620 -7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.682 2.846 -8.040 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.613 1.459 -9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.127 0.587 -8.403 1.00 0.00 H new ATOM 1466 N LEU A 87 6.092 5.033 -8.733 1.00 0.00 N ATOM 1467 CA LEU A 87 4.900 5.796 -9.087 1.00 0.00 C ATOM 1468 C LEU A 87 5.274 7.156 -9.666 1.00 0.00 C ATOM 1469 O LEU A 87 4.665 7.620 -10.628 1.00 0.00 O ATOM 1470 CB LEU A 87 4.003 5.979 -7.861 1.00 0.00 C ATOM 1471 CG LEU A 87 3.457 4.685 -7.257 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.508 4.991 -6.109 1.00 0.00 C ATOM 1473 CD2 LEU A 87 2.758 3.854 -8.322 1.00 0.00 C ATOM 0 H LEU A 87 6.157 4.787 -7.745 1.00 0.00 H new ATOM 0 HA LEU A 87 4.355 5.237 -9.847 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.567 6.510 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.162 6.616 -8.137 1.00 0.00 H new ATOM 0 HG LEU A 87 4.294 4.107 -6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.129 4.058 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.039 5.545 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.674 5.589 -6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.375 2.937 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.931 4.425 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.466 3.605 -9.112 1.00 0.00 H new ATOM 1485 N PHE A 88 6.280 7.790 -9.072 1.00 0.00 N ATOM 1486 CA PHE A 88 6.736 9.097 -9.530 1.00 0.00 C ATOM 1487 C PHE A 88 8.105 8.996 -10.192 1.00 0.00 C ATOM 1488 O PHE A 88 8.466 9.925 -10.945 1.00 0.00 O ATOM 1489 CB PHE A 88 6.794 10.080 -8.358 1.00 0.00 C ATOM 1490 CG PHE A 88 5.442 10.480 -7.840 1.00 0.00 C ATOM 1491 CD1 PHE A 88 4.627 11.325 -8.576 1.00 0.00 C ATOM 1492 CD2 PHE A 88 4.988 10.012 -6.618 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.382 11.695 -8.102 1.00 0.00 C ATOM 1494 CE2 PHE A 88 3.744 10.379 -6.138 1.00 0.00 C ATOM 1495 CZ PHE A 88 2.941 11.222 -6.882 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.805 7.989 -9.953 1.00 0.00 O ATOM 0 H PHE A 88 6.795 7.420 -8.273 1.00 0.00 H new ATOM 0 HA PHE A 88 6.023 9.464 -10.268 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.366 9.631 -7.546 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.333 10.974 -8.671 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.968 11.699 -9.530 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.613 9.353 -6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.755 12.353 -8.685 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.401 10.007 -5.184 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.969 11.511 -6.510 1.00 0.00 H new TER 1506 PHE A 88