USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 776 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 63 ASN : amide:sc= 2.15 K(o=3.4,f=-1.4) USER MOD Set 1.2: A 74 TYR OH : rot 128:sc= 1.21 USER MOD Set 2.1: A 40 SER OG : rot 78:sc= 1.73 USER MOD Set 2.2: A 52 ASN : amide:sc= -0.0792 K(o=2.9,f=-4.9!) USER MOD Set 2.3: A 55 LYS NZ :NH3+ -178:sc= 1.3 (180deg=-0.0633) USER MOD Set 3.1: A 19 THR OG1 : rot -119:sc= 1.17 USER MOD Set 3.2: A 31 ASN : amide:sc= 1.25 K(o=2.2,f=-4.5!) USER MOD Set 3.3: A 33 HIS : no HE2:sc= -0.202 K(o=2.2,f=-0.33) USER MOD Set 4.1: A 1 GLY N :NH3+ -157:sc= 0.234 (180deg=0) USER MOD Set 4.2: A 96 THR OG1 : rot 85:sc= 1.46 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0663) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 2.08 (180deg=2.08) USER MOD Single : A 8 THR OG1 : rot -80:sc= 0.849 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -45:sc= 0.379 USER MOD Single : A 14 CYS SG : rot 180:sc=-0.00614 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -0.0605 K(o=-0.061,f=-1.2) USER MOD Single : A 26 HIS : no HD1:sc= -0.194 X(o=-0.19,f=0.014) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0.978 (180deg=0.977) USER MOD Single : A 39 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.01) USER MOD Single : A 42 GLN : amide:sc= 1.18 K(o=1.2,f=-7.7!) USER MOD Single : A 46 TYR OH : rot -113:sc= 1.18 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= 0.323 (180deg=0.107) USER MOD Single : A 56 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.026) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl 175:sc= -1.17 (180deg=-1.32) USER MOD Single : A 65 SER OG : rot -154:sc= 1 USER MOD Single : A 67 TYR OH : rot -118:sc= 0.539 USER MOD Single : A 69 THR OG1 : rot 161:sc= 1.22 USER MOD Single : A 70 ASN : amide:sc= -0.233 K(o=-0.23,f=-2.8!) USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 1.74 (180deg=1.74) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc=-0.00495 (180deg=-0.113) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.229 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 168:sc= -0.0037 (180deg=-0.179) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -125:sc= 1.26 (180deg=-0.543) USER MOD Single : A 92 ASN : amide:sc= -0.0319 K(o=-0.032,f=-1.2) USER MOD Single : A 97 TYR OH : rot 159:sc= 0.062 USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= 0.574 (180deg=0.246) USER MOD Single : A 100 LYS NZ :NH3+ 175:sc= -0.871 (180deg=-1.52!) USER MOD Single : A 102 THR OG1 : rot -23:sc= 0.605 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -13.450 -10.131 -0.418 1.00 0.00 N ATOM 85 CA GLY A 1 -14.163 -9.160 -1.238 1.00 0.00 C ATOM 86 C GLY A 1 -14.130 -9.559 -2.718 1.00 0.00 C ATOM 87 O GLY A 1 -14.048 -10.734 -3.072 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.795 -10.078 0.562 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.614 -11.088 -0.792 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.432 -9.921 -0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.197 -9.084 -0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.714 -8.175 -1.114 1.00 0.00 H new ATOM 91 N SER A 2 -14.170 -8.561 -3.590 1.00 0.00 N ATOM 92 CA SER A 2 -14.168 -8.660 -5.049 1.00 0.00 C ATOM 93 C SER A 2 -13.053 -7.811 -5.653 1.00 0.00 C ATOM 94 O SER A 2 -13.060 -6.581 -5.579 1.00 0.00 O ATOM 95 CB SER A 2 -15.525 -8.230 -5.600 1.00 0.00 C ATOM 96 OG SER A 2 -15.485 -8.183 -7.019 1.00 0.00 O ATOM 0 H SER A 2 -14.207 -7.591 -3.278 1.00 0.00 H new ATOM 0 HA SER A 2 -13.985 -9.698 -5.325 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.296 -8.928 -5.273 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.793 -7.251 -5.204 1.00 0.00 H new ATOM 0 HG SER A 2 -16.361 -7.908 -7.362 1.00 0.00 H new ATOM 102 N ALA A 3 -12.085 -8.458 -6.313 1.00 0.00 N ATOM 103 CA ALA A 3 -10.912 -7.777 -6.868 1.00 0.00 C ATOM 104 C ALA A 3 -11.248 -6.606 -7.823 1.00 0.00 C ATOM 105 O ALA A 3 -10.487 -5.644 -7.897 1.00 0.00 O ATOM 106 CB ALA A 3 -10.005 -8.816 -7.537 1.00 0.00 C ATOM 0 H ALA A 3 -12.094 -9.465 -6.476 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.388 -7.302 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.129 -8.320 -7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.688 -9.552 -6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.552 -9.316 -8.336 1.00 0.00 H new ATOM 112 N LYS A 4 -12.408 -6.606 -8.504 1.00 0.00 N ATOM 113 CA LYS A 4 -12.861 -5.434 -9.282 1.00 0.00 C ATOM 114 C LYS A 4 -13.453 -4.289 -8.462 1.00 0.00 C ATOM 115 O LYS A 4 -13.305 -3.126 -8.846 1.00 0.00 O ATOM 116 CB LYS A 4 -13.792 -5.845 -10.438 1.00 0.00 C ATOM 117 CG LYS A 4 -12.985 -5.985 -11.739 1.00 0.00 C ATOM 118 CD LYS A 4 -13.885 -6.284 -12.947 1.00 0.00 C ATOM 119 CE LYS A 4 -13.093 -6.269 -14.264 1.00 0.00 C ATOM 120 NZ LYS A 4 -12.647 -4.899 -14.635 1.00 0.00 N ATOM 0 H LYS A 4 -13.048 -7.400 -8.533 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.944 -5.019 -9.700 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.283 -6.789 -10.202 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.577 -5.100 -10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.428 -5.066 -11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.252 -6.784 -11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.357 -7.258 -12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.686 -5.546 -12.996 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.224 -6.920 -14.171 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.712 -6.677 -15.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.253 -4.911 -15.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.458 -4.249 -14.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.918 -4.578 -13.966 1.00 0.00 H new ATOM 134 N LYS A 5 -14.082 -4.600 -7.336 1.00 0.00 N ATOM 135 CA LYS A 5 -14.600 -3.605 -6.374 1.00 0.00 C ATOM 136 C LYS A 5 -13.516 -3.010 -5.467 1.00 0.00 C ATOM 137 O LYS A 5 -13.761 -1.973 -4.849 1.00 0.00 O ATOM 138 CB LYS A 5 -15.774 -4.157 -5.543 1.00 0.00 C ATOM 139 CG LYS A 5 -16.875 -3.081 -5.386 1.00 0.00 C ATOM 140 CD LYS A 5 -17.580 -3.062 -4.018 1.00 0.00 C ATOM 141 CE LYS A 5 -17.226 -1.819 -3.180 1.00 0.00 C ATOM 142 NZ LYS A 5 -15.802 -1.789 -2.767 1.00 0.00 N ATOM 0 H LYS A 5 -14.255 -5.564 -7.050 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.976 -2.785 -6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.187 -5.041 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.418 -4.469 -4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.431 -2.101 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.625 -3.235 -6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.659 -3.097 -4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.308 -3.959 -3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.451 -0.922 -3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.857 -1.794 -2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.621 -0.932 -2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.589 -2.629 -2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.196 -1.785 -3.612 1.00 0.00 H new ATOM 156 N GLY A 6 -12.334 -3.630 -5.422 1.00 0.00 N ATOM 157 CA GLY A 6 -11.100 -3.029 -4.912 1.00 0.00 C ATOM 158 C GLY A 6 -10.341 -2.230 -5.974 1.00 0.00 C ATOM 159 O GLY A 6 -9.941 -1.099 -5.703 1.00 0.00 O ATOM 0 H GLY A 6 -12.206 -4.588 -5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.341 -2.374 -4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.452 -3.816 -4.525 1.00 0.00 H new ATOM 163 N ALA A 7 -10.210 -2.756 -7.201 1.00 0.00 N ATOM 164 CA ALA A 7 -9.552 -2.067 -8.319 1.00 0.00 C ATOM 165 C ALA A 7 -10.163 -0.683 -8.592 1.00 0.00 C ATOM 166 O ALA A 7 -9.459 0.322 -8.664 1.00 0.00 O ATOM 167 CB ALA A 7 -9.640 -2.936 -9.581 1.00 0.00 C ATOM 0 H ALA A 7 -10.562 -3.681 -7.447 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.509 -1.911 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.152 -2.424 -10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.144 -3.890 -9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.687 -3.112 -9.829 1.00 0.00 H new ATOM 173 N THR A 8 -11.495 -0.620 -8.711 1.00 0.00 N ATOM 174 CA THR A 8 -12.251 0.635 -8.908 1.00 0.00 C ATOM 175 C THR A 8 -12.032 1.666 -7.803 1.00 0.00 C ATOM 176 O THR A 8 -12.091 2.860 -8.086 1.00 0.00 O ATOM 177 CB THR A 8 -13.764 0.383 -9.026 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.200 -0.537 -8.055 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.129 -0.201 -10.391 1.00 0.00 C ATOM 0 H THR A 8 -12.091 -1.447 -8.673 1.00 0.00 H new ATOM 0 HA THR A 8 -11.858 1.039 -9.841 1.00 0.00 H new ATOM 0 HB THR A 8 -14.246 1.350 -8.886 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.991 -1.448 -8.350 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.205 -0.367 -10.440 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.833 0.495 -11.176 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.609 -1.149 -10.532 1.00 0.00 H new ATOM 187 N LEU A 9 -11.725 1.227 -6.577 1.00 0.00 N ATOM 188 CA LEU A 9 -11.323 2.069 -5.460 1.00 0.00 C ATOM 189 C LEU A 9 -9.903 2.597 -5.706 1.00 0.00 C ATOM 190 O LEU A 9 -9.714 3.784 -5.961 1.00 0.00 O ATOM 191 CB LEU A 9 -11.445 1.261 -4.139 1.00 0.00 C ATOM 192 CG LEU A 9 -12.265 1.989 -3.062 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.662 1.386 -2.928 1.00 0.00 C ATOM 194 CD2 LEU A 9 -11.581 1.955 -1.693 1.00 0.00 C ATOM 0 H LEU A 9 -11.753 0.237 -6.333 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.978 2.936 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.908 0.297 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.447 1.057 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.342 3.026 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.217 1.922 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.187 1.470 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.580 0.335 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.198 2.482 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.451 0.920 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.607 2.439 -1.761 1.00 0.00 H new ATOM 206 N PHE A 10 -8.913 1.701 -5.700 1.00 0.00 N ATOM 207 CA PHE A 10 -7.482 1.966 -5.911 1.00 0.00 C ATOM 208 C PHE A 10 -7.216 2.953 -7.056 1.00 0.00 C ATOM 209 O PHE A 10 -6.476 3.926 -6.871 1.00 0.00 O ATOM 210 CB PHE A 10 -6.762 0.630 -6.153 1.00 0.00 C ATOM 211 CG PHE A 10 -5.275 0.752 -6.449 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.346 0.857 -5.397 1.00 0.00 C ATOM 213 CD2 PHE A 10 -4.812 0.704 -7.778 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.972 0.984 -5.674 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.434 0.773 -8.049 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.514 0.939 -7.001 1.00 0.00 C ATOM 0 H PHE A 10 -9.097 0.711 -5.538 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.091 2.446 -5.014 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.893 -0.002 -5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.244 0.120 -6.987 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.689 0.840 -4.373 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.517 0.614 -8.591 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.269 1.116 -4.865 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.082 0.698 -9.067 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.459 1.032 -7.214 1.00 0.00 H new ATOM 226 N LYS A 11 -7.886 2.750 -8.204 1.00 0.00 N ATOM 227 CA LYS A 11 -7.779 3.548 -9.446 1.00 0.00 C ATOM 228 C LYS A 11 -8.068 5.050 -9.277 1.00 0.00 C ATOM 229 O LYS A 11 -7.677 5.851 -10.123 1.00 0.00 O ATOM 230 CB LYS A 11 -8.681 2.892 -10.515 1.00 0.00 C ATOM 231 CG LYS A 11 -8.559 3.509 -11.923 1.00 0.00 C ATOM 232 CD LYS A 11 -9.591 4.616 -12.211 1.00 0.00 C ATOM 233 CE LYS A 11 -9.025 5.587 -13.256 1.00 0.00 C ATOM 234 NZ LYS A 11 -9.928 6.746 -13.478 1.00 0.00 N ATOM 0 H LYS A 11 -8.553 1.985 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.736 3.533 -9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.438 1.831 -10.575 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.719 2.964 -10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.557 3.920 -12.043 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.671 2.719 -12.666 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.520 4.176 -12.574 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.830 5.153 -11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.049 5.944 -12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.872 5.059 -14.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.512 7.379 -14.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.852 6.407 -13.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.054 7.264 -12.585 1.00 0.00 H new ATOM 248 N THR A 12 -8.744 5.446 -8.195 1.00 0.00 N ATOM 249 CA THR A 12 -9.077 6.843 -7.853 1.00 0.00 C ATOM 250 C THR A 12 -8.931 7.178 -6.358 1.00 0.00 C ATOM 251 O THR A 12 -9.471 8.183 -5.899 1.00 0.00 O ATOM 252 CB THR A 12 -10.460 7.210 -8.416 1.00 0.00 C ATOM 253 OG1 THR A 12 -10.595 8.608 -8.455 1.00 0.00 O ATOM 254 CG2 THR A 12 -11.646 6.601 -7.663 1.00 0.00 C ATOM 0 H THR A 12 -9.090 4.781 -7.503 1.00 0.00 H new ATOM 0 HA THR A 12 -8.331 7.475 -8.335 1.00 0.00 H new ATOM 0 HB THR A 12 -10.495 6.778 -9.416 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.271 8.992 -7.613 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.577 6.917 -8.134 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.576 5.514 -7.692 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.631 6.938 -6.627 1.00 0.00 H new ATOM 262 N ARG A 13 -8.226 6.331 -5.593 1.00 0.00 N ATOM 263 CA ARG A 13 -7.944 6.499 -4.149 1.00 0.00 C ATOM 264 C ARG A 13 -6.457 6.360 -3.789 1.00 0.00 C ATOM 265 O ARG A 13 -6.052 6.790 -2.714 1.00 0.00 O ATOM 266 CB ARG A 13 -8.736 5.460 -3.332 1.00 0.00 C ATOM 267 CG ARG A 13 -10.266 5.438 -3.498 1.00 0.00 C ATOM 268 CD ARG A 13 -11.060 6.337 -2.545 1.00 0.00 C ATOM 269 NE ARG A 13 -12.365 5.706 -2.221 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.888 5.532 -1.020 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.445 6.190 0.012 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.858 4.681 -0.835 1.00 0.00 N ATOM 0 H ARG A 13 -7.819 5.476 -5.972 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.249 7.517 -3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.356 4.471 -3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.515 5.623 -2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.504 5.728 -4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.610 4.412 -3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.491 6.504 -1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.222 7.313 -3.003 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.917 5.371 -3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.680 6.855 -0.098 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.863 6.040 0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.220 4.142 -1.621 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.255 4.554 0.096 1.00 0.00 H new ATOM 286 N CYS A 14 -5.667 5.716 -4.654 1.00 0.00 N ATOM 287 CA CYS A 14 -4.278 5.329 -4.393 1.00 0.00 C ATOM 288 C CYS A 14 -3.384 5.588 -5.615 1.00 0.00 C ATOM 289 O CYS A 14 -2.322 6.198 -5.487 1.00 0.00 O ATOM 290 CB CYS A 14 -4.232 3.840 -4.039 1.00 0.00 C ATOM 291 SG CYS A 14 -5.361 3.236 -2.739 1.00 0.00 S ATOM 0 H CYS A 14 -5.987 5.442 -5.583 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.903 5.931 -3.565 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.435 3.274 -4.948 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.213 3.600 -3.735 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.188 1.958 -2.573 1.00 0.00 H new ATOM 296 N LEU A 15 -3.829 5.191 -6.820 1.00 0.00 N ATOM 297 CA LEU A 15 -3.156 5.352 -8.123 1.00 0.00 C ATOM 298 C LEU A 15 -2.798 6.819 -8.483 1.00 0.00 C ATOM 299 O LEU A 15 -1.911 7.084 -9.294 1.00 0.00 O ATOM 300 CB LEU A 15 -4.058 4.691 -9.187 1.00 0.00 C ATOM 301 CG LEU A 15 -3.399 4.460 -10.559 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.437 3.278 -10.564 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.476 4.168 -11.607 1.00 0.00 C ATOM 0 H LEU A 15 -4.727 4.718 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.183 4.862 -8.077 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.402 3.731 -8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.942 5.313 -9.327 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.842 5.369 -10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.004 3.165 -11.558 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.642 3.453 -9.840 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.976 2.369 -10.298 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.005 4.005 -12.577 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.032 3.276 -11.319 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.159 5.015 -11.673 1.00 0.00 H new ATOM 315 N GLN A 16 -3.422 7.792 -7.808 1.00 0.00 N ATOM 316 CA GLN A 16 -2.958 9.184 -7.756 1.00 0.00 C ATOM 317 C GLN A 16 -1.446 9.281 -7.452 1.00 0.00 C ATOM 318 O GLN A 16 -0.715 9.970 -8.169 1.00 0.00 O ATOM 319 CB GLN A 16 -3.823 9.977 -6.760 1.00 0.00 C ATOM 320 CG GLN A 16 -3.751 9.487 -5.303 1.00 0.00 C ATOM 321 CD GLN A 16 -4.810 10.153 -4.440 1.00 0.00 C ATOM 322 OE1 GLN A 16 -5.939 9.707 -4.356 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.494 11.246 -3.784 1.00 0.00 N ATOM 0 H GLN A 16 -4.276 7.632 -7.274 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.080 9.635 -8.741 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.519 11.023 -6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.861 9.936 -7.090 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.884 8.406 -5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.762 9.698 -4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.549 11.625 -3.850 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.193 11.716 -3.209 1.00 0.00 H new ATOM 332 N CYS A 17 -0.962 8.529 -6.457 1.00 0.00 N ATOM 333 CA CYS A 17 0.431 8.509 -6.007 1.00 0.00 C ATOM 334 C CYS A 17 1.177 7.236 -6.405 1.00 0.00 C ATOM 335 O CYS A 17 2.384 7.311 -6.588 1.00 0.00 O ATOM 336 CB CYS A 17 0.491 8.617 -4.483 1.00 0.00 C ATOM 337 SG CYS A 17 -0.005 10.219 -3.789 1.00 0.00 S ATOM 0 H CYS A 17 -1.555 7.893 -5.923 1.00 0.00 H new ATOM 0 HA CYS A 17 0.912 9.358 -6.493 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.148 7.843 -4.057 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.510 8.402 -4.161 1.00 0.00 H new ATOM 0 HG CYS A 17 0.088 10.178 -2.493 1.00 0.00 H new ATOM 342 N HIS A 18 0.496 6.095 -6.525 1.00 0.00 N ATOM 343 CA HIS A 18 1.102 4.776 -6.747 1.00 0.00 C ATOM 344 C HIS A 18 0.958 4.261 -8.181 1.00 0.00 C ATOM 345 O HIS A 18 0.239 4.834 -8.993 1.00 0.00 O ATOM 346 CB HIS A 18 0.446 3.788 -5.771 1.00 0.00 C ATOM 347 CG HIS A 18 1.132 3.776 -4.441 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.335 3.166 -4.167 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.695 4.393 -3.302 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.614 3.408 -2.878 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.643 4.151 -2.313 1.00 0.00 N ATOM 0 H HIS A 18 -0.522 6.059 -6.469 1.00 0.00 H new ATOM 0 HA HIS A 18 2.174 4.870 -6.574 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.602 4.054 -5.636 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.468 2.786 -6.200 1.00 0.00 H new ATOM 0 HD1 HIS A 18 2.906 2.631 -4.821 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.216 4.962 -3.191 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.496 3.056 -2.364 1.00 0.00 H new ATOM 359 N THR A 19 1.596 3.122 -8.454 1.00 0.00 N ATOM 360 CA THR A 19 1.219 2.160 -9.501 1.00 0.00 C ATOM 361 C THR A 19 1.291 0.736 -8.933 1.00 0.00 C ATOM 362 O THR A 19 1.842 0.525 -7.850 1.00 0.00 O ATOM 363 CB THR A 19 2.106 2.299 -10.745 1.00 0.00 C ATOM 364 OG1 THR A 19 3.468 2.132 -10.416 1.00 0.00 O ATOM 365 CG2 THR A 19 1.990 3.658 -11.427 1.00 0.00 C ATOM 0 H THR A 19 2.423 2.829 -7.933 1.00 0.00 H new ATOM 0 HA THR A 19 0.197 2.372 -9.815 1.00 0.00 H new ATOM 0 HB THR A 19 1.752 1.523 -11.424 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.959 2.953 -10.629 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.644 3.685 -12.298 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.959 3.820 -11.742 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.283 4.442 -10.729 1.00 0.00 H new ATOM 373 N VAL A 20 0.756 -0.254 -9.640 1.00 0.00 N ATOM 374 CA VAL A 20 0.953 -1.685 -9.331 1.00 0.00 C ATOM 375 C VAL A 20 1.245 -2.505 -10.591 1.00 0.00 C ATOM 376 O VAL A 20 2.021 -3.455 -10.547 1.00 0.00 O ATOM 377 CB VAL A 20 -0.233 -2.229 -8.504 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.558 -2.280 -9.272 1.00 0.00 C ATOM 379 CG2 VAL A 20 0.061 -3.610 -7.915 1.00 0.00 C ATOM 0 H VAL A 20 0.165 -0.094 -10.456 1.00 0.00 H new ATOM 0 HA VAL A 20 1.842 -1.787 -8.709 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.351 -1.506 -7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.340 -2.673 -8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.828 -1.276 -9.599 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.450 -2.928 -10.142 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.801 -3.952 -7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.263 -4.314 -8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.931 -3.549 -7.261 1.00 0.00 H new ATOM 389 N GLU A 21 0.703 -2.085 -11.734 1.00 0.00 N ATOM 390 CA GLU A 21 0.865 -2.697 -13.048 1.00 0.00 C ATOM 391 C GLU A 21 2.335 -2.773 -13.502 1.00 0.00 C ATOM 392 O GLU A 21 3.170 -1.931 -13.164 1.00 0.00 O ATOM 393 CB GLU A 21 0.057 -1.945 -14.129 1.00 0.00 C ATOM 394 CG GLU A 21 -1.277 -1.284 -13.721 1.00 0.00 C ATOM 395 CD GLU A 21 -1.091 0.080 -13.025 1.00 0.00 C ATOM 396 OE1 GLU A 21 -0.922 1.096 -13.731 1.00 0.00 O ATOM 397 OE2 GLU A 21 -1.049 0.092 -11.770 1.00 0.00 O ATOM 0 H GLU A 21 0.104 -1.260 -11.767 1.00 0.00 H new ATOM 0 HA GLU A 21 0.485 -3.713 -12.937 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.699 -1.168 -14.543 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.154 -2.648 -14.935 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.895 -1.150 -14.609 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.818 -1.955 -13.053 1.00 0.00 H new ATOM 440 N PRO A 25 5.488 3.448 -13.576 1.00 0.00 N ATOM 441 CA PRO A 25 6.613 4.189 -13.013 1.00 0.00 C ATOM 442 C PRO A 25 6.462 4.397 -11.496 1.00 0.00 C ATOM 443 O PRO A 25 5.357 4.398 -10.944 1.00 0.00 O ATOM 444 CB PRO A 25 6.639 5.518 -13.777 1.00 0.00 C ATOM 445 CG PRO A 25 5.178 5.730 -14.169 1.00 0.00 C ATOM 446 CD PRO A 25 4.686 4.308 -14.438 1.00 0.00 C ATOM 0 HA PRO A 25 7.551 3.645 -13.125 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.010 6.332 -13.154 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.286 5.466 -14.652 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.611 6.209 -13.371 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.084 6.363 -15.051 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.624 4.211 -14.211 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.813 4.041 -15.487 1.00 0.00 H new ATOM 454 N HIS A 26 7.587 4.651 -10.821 1.00 0.00 N ATOM 455 CA HIS A 26 7.611 5.154 -9.447 1.00 0.00 C ATOM 456 C HIS A 26 7.179 6.635 -9.418 1.00 0.00 C ATOM 457 O HIS A 26 7.985 7.547 -9.590 1.00 0.00 O ATOM 458 CB HIS A 26 9.000 4.960 -8.826 1.00 0.00 C ATOM 459 CG HIS A 26 9.321 3.556 -8.365 1.00 0.00 C ATOM 460 ND1 HIS A 26 9.424 2.417 -9.139 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.655 3.213 -7.081 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.830 1.419 -8.332 1.00 0.00 C ATOM 463 NE2 HIS A 26 9.950 1.851 -7.073 1.00 0.00 N ATOM 0 H HIS A 26 8.516 4.511 -11.219 1.00 0.00 H new ATOM 0 HA HIS A 26 6.902 4.584 -8.847 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.750 5.263 -9.556 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.094 5.633 -7.974 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.684 3.877 -6.230 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.031 0.409 -8.657 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.208 1.291 -6.261 1.00 0.00 H new ATOM 471 N LYS A 27 5.873 6.855 -9.242 1.00 0.00 N ATOM 472 CA LYS A 27 5.233 8.132 -8.887 1.00 0.00 C ATOM 473 C LYS A 27 5.602 8.542 -7.432 1.00 0.00 C ATOM 474 O LYS A 27 6.639 8.153 -6.905 1.00 0.00 O ATOM 475 CB LYS A 27 3.716 7.952 -9.138 1.00 0.00 C ATOM 476 CG LYS A 27 3.263 8.034 -10.603 1.00 0.00 C ATOM 477 CD LYS A 27 1.792 7.575 -10.735 1.00 0.00 C ATOM 478 CE LYS A 27 0.862 8.553 -11.466 1.00 0.00 C ATOM 479 NZ LYS A 27 0.514 9.743 -10.646 1.00 0.00 N ATOM 0 H LYS A 27 5.191 6.104 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 27 5.587 8.961 -9.499 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.414 6.984 -8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.181 8.713 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.366 9.056 -10.966 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.904 7.409 -11.225 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.773 6.620 -11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.393 7.398 -9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.341 8.881 -12.388 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.053 8.033 -11.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.129 10.359 -11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.047 9.436 -9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.380 10.268 -10.411 1.00 0.00 H new ATOM 493 N VAL A 28 4.753 9.335 -6.772 1.00 0.00 N ATOM 494 CA VAL A 28 4.855 9.770 -5.358 1.00 0.00 C ATOM 495 C VAL A 28 4.925 8.600 -4.350 1.00 0.00 C ATOM 496 O VAL A 28 5.400 8.786 -3.240 1.00 0.00 O ATOM 497 CB VAL A 28 3.675 10.706 -5.012 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.829 11.420 -3.661 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.475 11.812 -6.064 1.00 0.00 C ATOM 0 H VAL A 28 3.925 9.718 -7.228 1.00 0.00 H new ATOM 0 HA VAL A 28 5.801 10.304 -5.265 1.00 0.00 H new ATOM 0 HB VAL A 28 2.819 10.032 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.963 12.059 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.900 10.680 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.733 12.029 -3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.634 12.442 -5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.378 12.419 -6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.271 11.359 -7.034 1.00 0.00 H new ATOM 509 N GLY A 29 4.507 7.394 -4.739 1.00 0.00 N ATOM 510 CA GLY A 29 4.844 6.122 -4.098 1.00 0.00 C ATOM 511 C GLY A 29 5.172 5.021 -5.129 1.00 0.00 C ATOM 512 O GLY A 29 4.867 5.178 -6.318 1.00 0.00 O ATOM 0 H GLY A 29 3.896 7.272 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.699 6.265 -3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.010 5.798 -3.475 1.00 0.00 H new ATOM 516 N PRO A 30 5.786 3.901 -4.697 1.00 0.00 N ATOM 517 CA PRO A 30 6.403 2.922 -5.599 1.00 0.00 C ATOM 518 C PRO A 30 5.436 2.110 -6.483 1.00 0.00 C ATOM 519 O PRO A 30 4.209 2.193 -6.383 1.00 0.00 O ATOM 520 CB PRO A 30 7.269 2.026 -4.695 1.00 0.00 C ATOM 521 CG PRO A 30 6.644 2.167 -3.309 1.00 0.00 C ATOM 522 CD PRO A 30 6.167 3.615 -3.320 1.00 0.00 C ATOM 0 HA PRO A 30 6.985 3.452 -6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.256 0.990 -5.033 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.310 2.349 -4.696 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.821 1.468 -3.160 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.367 1.982 -2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.323 3.753 -2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.956 4.288 -2.985 1.00 0.00 H new ATOM 530 N ASN A 31 6.032 1.307 -7.366 1.00 0.00 N ATOM 531 CA ASN A 31 5.349 0.352 -8.237 1.00 0.00 C ATOM 532 C ASN A 31 5.143 -0.994 -7.507 1.00 0.00 C ATOM 533 O ASN A 31 6.060 -1.810 -7.398 1.00 0.00 O ATOM 534 CB ASN A 31 6.162 0.241 -9.534 1.00 0.00 C ATOM 535 CG ASN A 31 5.548 -0.748 -10.499 1.00 0.00 C ATOM 536 OD1 ASN A 31 6.172 -1.728 -10.864 1.00 0.00 O ATOM 537 ND2 ASN A 31 4.303 -0.562 -10.868 1.00 0.00 N ATOM 0 H ASN A 31 7.043 1.305 -7.498 1.00 0.00 H new ATOM 0 HA ASN A 31 4.345 0.689 -8.496 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.225 1.220 -10.008 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.181 -0.065 -9.299 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.842 -1.244 -11.470 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.796 0.265 -10.553 1.00 0.00 H new ATOM 544 N LEU A 32 3.950 -1.186 -6.940 1.00 0.00 N ATOM 545 CA LEU A 32 3.715 -2.020 -5.760 1.00 0.00 C ATOM 546 C LEU A 32 3.837 -3.529 -6.002 1.00 0.00 C ATOM 547 O LEU A 32 4.087 -4.237 -5.033 1.00 0.00 O ATOM 548 CB LEU A 32 2.331 -1.680 -5.153 1.00 0.00 C ATOM 549 CG LEU A 32 2.264 -0.377 -4.330 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.816 -0.096 -3.910 1.00 0.00 C ATOM 551 CD2 LEU A 32 3.119 -0.424 -3.057 1.00 0.00 C ATOM 0 H LEU A 32 3.098 -0.754 -7.299 1.00 0.00 H new ATOM 0 HA LEU A 32 4.515 -1.781 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.605 -1.614 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.021 -2.508 -4.515 1.00 0.00 H new ATOM 0 HG LEU A 32 2.654 0.409 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.778 0.826 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.193 0.009 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.446 -0.923 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.029 0.522 -2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.774 -1.236 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.162 -0.591 -3.325 1.00 0.00 H new ATOM 563 N HIS A 33 3.685 -4.016 -7.243 1.00 0.00 N ATOM 564 CA HIS A 33 3.659 -5.438 -7.637 1.00 0.00 C ATOM 565 C HIS A 33 3.319 -6.403 -6.474 1.00 0.00 C ATOM 566 O HIS A 33 2.154 -6.601 -6.150 1.00 0.00 O ATOM 567 CB HIS A 33 4.996 -5.792 -8.316 1.00 0.00 C ATOM 568 CG HIS A 33 5.150 -5.480 -9.782 1.00 0.00 C ATOM 569 ND1 HIS A 33 5.819 -4.408 -10.318 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.876 -6.338 -10.814 1.00 0.00 C ATOM 571 CE1 HIS A 33 5.938 -4.607 -11.637 1.00 0.00 C ATOM 572 NE2 HIS A 33 5.429 -5.803 -11.982 1.00 0.00 N ATOM 0 H HIS A 33 3.570 -3.396 -8.045 1.00 0.00 H new ATOM 0 HA HIS A 33 2.842 -5.574 -8.345 1.00 0.00 H new ATOM 0 HB2 HIS A 33 5.791 -5.274 -7.779 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.166 -6.860 -8.183 1.00 0.00 H new ATOM 0 HD1 HIS A 33 6.166 -3.600 -9.801 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.328 -7.266 -10.739 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.381 -3.905 -12.328 1.00 0.00 H new ATOM 580 N GLY A 34 4.358 -6.944 -5.832 1.00 0.00 N ATOM 581 CA GLY A 34 4.315 -7.853 -4.689 1.00 0.00 C ATOM 582 C GLY A 34 5.172 -7.401 -3.507 1.00 0.00 C ATOM 583 O GLY A 34 6.143 -8.073 -3.158 1.00 0.00 O ATOM 0 H GLY A 34 5.316 -6.743 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.282 -7.956 -4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.647 -8.840 -5.010 1.00 0.00 H new ATOM 587 N ILE A 35 4.818 -6.280 -2.865 1.00 0.00 N ATOM 588 CA ILE A 35 5.362 -5.921 -1.545 1.00 0.00 C ATOM 589 C ILE A 35 4.910 -6.873 -0.425 1.00 0.00 C ATOM 590 O ILE A 35 5.559 -6.902 0.613 1.00 0.00 O ATOM 591 CB ILE A 35 5.101 -4.449 -1.139 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.636 -4.086 -0.806 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.748 -3.460 -2.122 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.609 -4.235 -1.933 1.00 0.00 C ATOM 0 H ILE A 35 4.154 -5.602 -3.239 1.00 0.00 H new ATOM 0 HA ILE A 35 6.439 -6.034 -1.666 1.00 0.00 H new ATOM 0 HB ILE A 35 5.604 -4.348 -0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.315 -4.708 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.613 -3.052 -0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.541 -2.439 -1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.826 -3.622 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.337 -3.617 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.623 -3.949 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.888 -3.591 -2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.584 -5.272 -2.268 1.00 0.00 H new ATOM 606 N PHE A 36 3.847 -7.664 -0.613 1.00 0.00 N ATOM 607 CA PHE A 36 3.453 -8.740 0.288 1.00 0.00 C ATOM 608 C PHE A 36 4.623 -9.688 0.566 1.00 0.00 C ATOM 609 O PHE A 36 5.399 -10.048 -0.318 1.00 0.00 O ATOM 610 CB PHE A 36 2.240 -9.490 -0.283 1.00 0.00 C ATOM 611 CG PHE A 36 0.972 -8.661 -0.246 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.365 -8.393 0.994 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.430 -8.113 -1.425 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.758 -7.556 1.061 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.703 -7.281 -1.356 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.289 -6.995 -0.109 1.00 0.00 C ATOM 0 H PHE A 36 3.226 -7.567 -1.416 1.00 0.00 H new ATOM 0 HA PHE A 36 3.164 -8.303 1.244 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.449 -9.781 -1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.086 -10.409 0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.764 -8.833 1.896 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.883 -8.331 -2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.215 -7.343 2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.122 -6.863 -2.259 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.148 -6.343 -0.053 1.00 0.00 H new ATOM 626 N GLY A 37 4.771 -10.046 1.835 1.00 0.00 N ATOM 627 CA GLY A 37 5.905 -10.821 2.348 1.00 0.00 C ATOM 628 C GLY A 37 7.279 -10.150 2.186 1.00 0.00 C ATOM 629 O GLY A 37 8.299 -10.754 2.516 1.00 0.00 O ATOM 0 H GLY A 37 4.093 -9.802 2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.739 -11.022 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.926 -11.785 1.840 1.00 0.00 H new ATOM 633 N ARG A 38 7.356 -8.907 1.694 1.00 0.00 N ATOM 634 CA ARG A 38 8.568 -8.085 1.707 1.00 0.00 C ATOM 635 C ARG A 38 8.623 -7.269 2.990 1.00 0.00 C ATOM 636 O ARG A 38 7.627 -7.098 3.689 1.00 0.00 O ATOM 637 CB ARG A 38 8.594 -7.172 0.465 1.00 0.00 C ATOM 638 CG ARG A 38 9.978 -6.992 -0.159 1.00 0.00 C ATOM 639 CD ARG A 38 10.375 -8.230 -0.970 1.00 0.00 C ATOM 640 NE ARG A 38 11.790 -8.142 -1.365 1.00 0.00 N ATOM 641 CZ ARG A 38 12.499 -8.973 -2.095 1.00 0.00 C ATOM 642 NH1 ARG A 38 11.986 -10.042 -2.636 1.00 0.00 N ATOM 643 NH2 ARG A 38 13.760 -8.713 -2.270 1.00 0.00 N ATOM 0 H ARG A 38 6.558 -8.436 1.267 1.00 0.00 H new ATOM 0 HA ARG A 38 9.447 -8.729 1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.921 -7.583 -0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.203 -6.193 0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.979 -6.113 -0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.715 -6.813 0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.210 -9.130 -0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.746 -8.311 -1.857 1.00 0.00 H new ATOM 0 HE ARG A 38 12.290 -7.321 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.999 -10.259 -2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.572 -10.661 -3.196 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.173 -7.883 -1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.337 -9.339 -2.832 1.00 0.00 H new ATOM 657 N HIS A 39 9.802 -6.727 3.250 1.00 0.00 N ATOM 658 CA HIS A 39 10.049 -5.814 4.358 1.00 0.00 C ATOM 659 C HIS A 39 9.923 -4.375 3.865 1.00 0.00 C ATOM 660 O HIS A 39 10.524 -4.019 2.852 1.00 0.00 O ATOM 661 CB HIS A 39 11.417 -6.118 4.975 1.00 0.00 C ATOM 662 CG HIS A 39 11.399 -7.437 5.705 1.00 0.00 C ATOM 663 ND1 HIS A 39 12.141 -8.560 5.409 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.554 -7.761 6.732 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.742 -9.539 6.240 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.776 -9.098 7.055 1.00 0.00 N ATOM 0 H HIS A 39 10.632 -6.912 2.686 1.00 0.00 H new ATOM 0 HA HIS A 39 9.307 -5.950 5.145 1.00 0.00 H new ATOM 0 HB2 HIS A 39 12.176 -6.142 4.193 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.694 -5.320 5.664 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.844 -7.100 7.206 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.145 -10.541 6.249 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.295 -9.637 7.775 1.00 0.00 H new ATOM 674 N SER A 40 9.103 -3.571 4.540 1.00 0.00 N ATOM 675 CA SER A 40 8.752 -2.218 4.111 1.00 0.00 C ATOM 676 C SER A 40 9.962 -1.345 3.789 1.00 0.00 C ATOM 677 O SER A 40 10.911 -1.304 4.574 1.00 0.00 O ATOM 678 CB SER A 40 7.881 -1.545 5.167 1.00 0.00 C ATOM 679 OG SER A 40 8.592 -1.261 6.366 1.00 0.00 O ATOM 0 H SER A 40 8.656 -3.846 5.415 1.00 0.00 H new ATOM 0 HA SER A 40 8.197 -2.324 3.179 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.476 -0.618 4.761 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.032 -2.189 5.397 1.00 0.00 H new ATOM 0 HG SER A 40 9.139 -0.458 6.239 1.00 0.00 H new ATOM 685 N GLY A 41 9.913 -0.636 2.661 1.00 0.00 N ATOM 686 CA GLY A 41 11.011 0.229 2.211 1.00 0.00 C ATOM 687 C GLY A 41 12.103 -0.460 1.376 1.00 0.00 C ATOM 688 O GLY A 41 13.269 -0.097 1.490 1.00 0.00 O ATOM 0 H GLY A 41 9.111 -0.643 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.589 1.044 1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.478 0.678 3.088 1.00 0.00 H new ATOM 692 N GLN A 42 11.764 -1.493 0.588 1.00 0.00 N ATOM 693 CA GLN A 42 12.727 -2.426 -0.030 1.00 0.00 C ATOM 694 C GLN A 42 13.244 -2.111 -1.452 1.00 0.00 C ATOM 695 O GLN A 42 14.171 -2.786 -1.901 1.00 0.00 O ATOM 696 CB GLN A 42 12.136 -3.842 0.011 1.00 0.00 C ATOM 697 CG GLN A 42 12.938 -4.696 1.002 1.00 0.00 C ATOM 698 CD GLN A 42 14.045 -5.506 0.349 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.808 -6.424 -0.431 1.00 0.00 O ATOM 700 NE2 GLN A 42 15.283 -5.266 0.702 1.00 0.00 N ATOM 0 H GLN A 42 10.794 -1.709 0.357 1.00 0.00 H new ATOM 0 HA GLN A 42 13.626 -2.315 0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.089 -3.803 0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.167 -4.291 -0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.374 -4.045 1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.258 -5.375 1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 42 15.490 -4.506 1.349 1.00 0.00 H new ATOM 0 HE22 GLN A 42 16.040 -5.839 0.329 1.00 0.00 H new ATOM 741 N TYR A 46 14.978 3.437 -5.203 1.00 0.00 N ATOM 742 CA TYR A 46 14.028 4.510 -4.870 1.00 0.00 C ATOM 743 C TYR A 46 13.926 4.724 -3.346 1.00 0.00 C ATOM 744 O TYR A 46 13.520 3.839 -2.595 1.00 0.00 O ATOM 745 CB TYR A 46 12.668 4.234 -5.532 1.00 0.00 C ATOM 746 CG TYR A 46 11.706 5.411 -5.462 1.00 0.00 C ATOM 747 CD1 TYR A 46 11.047 5.727 -4.258 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.453 6.184 -6.614 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.108 6.780 -4.214 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.518 7.240 -6.573 1.00 0.00 C ATOM 751 CZ TYR A 46 9.829 7.530 -5.376 1.00 0.00 C ATOM 752 OH TYR A 46 8.891 8.513 -5.350 1.00 0.00 O ATOM 0 HA TYR A 46 14.401 5.451 -5.275 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.829 3.969 -6.577 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.208 3.371 -5.051 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.261 5.161 -3.364 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.978 5.967 -7.533 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.602 7.012 -3.289 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.329 7.827 -7.459 1.00 0.00 H new ATOM 0 HH TYR A 46 8.132 8.256 -5.914 1.00 0.00 H new ATOM 762 N SER A 47 14.327 5.906 -2.874 1.00 0.00 N ATOM 763 CA SER A 47 14.519 6.221 -1.445 1.00 0.00 C ATOM 764 C SER A 47 13.232 6.637 -0.720 1.00 0.00 C ATOM 765 O SER A 47 12.709 7.723 -0.961 1.00 0.00 O ATOM 766 CB SER A 47 15.554 7.336 -1.281 1.00 0.00 C ATOM 767 OG SER A 47 16.817 6.891 -1.735 1.00 0.00 O ATOM 0 H SER A 47 14.534 6.695 -3.486 1.00 0.00 H new ATOM 0 HA SER A 47 14.864 5.294 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.245 8.217 -1.844 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.618 7.633 -0.234 1.00 0.00 H new ATOM 0 HG SER A 47 17.475 7.610 -1.629 1.00 0.00 H new ATOM 773 N TYR A 48 12.757 5.790 0.197 1.00 0.00 N ATOM 774 CA TYR A 48 11.546 5.982 1.002 1.00 0.00 C ATOM 775 C TYR A 48 11.713 7.066 2.108 1.00 0.00 C ATOM 776 O TYR A 48 11.994 8.233 1.841 1.00 0.00 O ATOM 777 CB TYR A 48 11.147 4.607 1.579 1.00 0.00 C ATOM 778 CG TYR A 48 10.681 3.535 0.608 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.569 2.869 -0.263 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.340 3.125 0.653 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.105 1.809 -1.067 1.00 0.00 C ATOM 782 CE2 TYR A 48 8.883 2.043 -0.118 1.00 0.00 C ATOM 783 CZ TYR A 48 9.772 1.357 -0.966 1.00 0.00 C ATOM 784 OH TYR A 48 9.364 0.226 -1.605 1.00 0.00 O ATOM 0 H TYR A 48 13.228 4.910 0.409 1.00 0.00 H new ATOM 0 HA TYR A 48 10.747 6.368 0.368 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.004 4.213 2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.351 4.768 2.306 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.604 3.172 -0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.646 3.651 1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.777 1.337 -1.768 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.849 1.738 -0.060 1.00 0.00 H new ATOM 0 HH TYR A 48 8.414 0.070 -1.420 1.00 0.00 H new ATOM 794 N THR A 49 11.598 6.677 3.381 1.00 0.00 N ATOM 795 CA THR A 49 11.924 7.464 4.576 1.00 0.00 C ATOM 796 C THR A 49 12.685 6.595 5.567 1.00 0.00 C ATOM 797 O THR A 49 12.464 5.385 5.625 1.00 0.00 O ATOM 798 CB THR A 49 10.667 7.991 5.292 1.00 0.00 C ATOM 799 OG1 THR A 49 9.749 6.952 5.546 1.00 0.00 O ATOM 800 CG2 THR A 49 9.937 9.055 4.485 1.00 0.00 C ATOM 0 H THR A 49 11.254 5.747 3.620 1.00 0.00 H new ATOM 0 HA THR A 49 12.521 8.312 4.241 1.00 0.00 H new ATOM 0 HB THR A 49 11.027 8.426 6.224 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.962 7.315 6.003 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.059 9.391 5.036 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.603 9.901 4.312 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.626 8.636 3.528 1.00 0.00 H new ATOM 808 N ASP A 50 13.502 7.232 6.405 1.00 0.00 N ATOM 809 CA ASP A 50 14.145 6.642 7.585 1.00 0.00 C ATOM 810 C ASP A 50 13.175 5.744 8.384 1.00 0.00 C ATOM 811 O ASP A 50 13.445 4.559 8.607 1.00 0.00 O ATOM 812 CB ASP A 50 14.691 7.820 8.408 1.00 0.00 C ATOM 813 CG ASP A 50 15.180 7.400 9.786 1.00 0.00 C ATOM 814 OD1 ASP A 50 14.341 7.329 10.712 1.00 0.00 O ATOM 815 OD2 ASP A 50 16.383 7.097 9.947 1.00 0.00 O ATOM 0 H ASP A 50 13.746 8.214 6.277 1.00 0.00 H new ATOM 0 HA ASP A 50 14.957 5.972 7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.511 8.288 7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.911 8.573 8.518 1.00 0.00 H new ATOM 820 N ALA A 51 12.003 6.293 8.713 1.00 0.00 N ATOM 821 CA ALA A 51 10.948 5.655 9.489 1.00 0.00 C ATOM 822 C ALA A 51 10.229 4.497 8.768 1.00 0.00 C ATOM 823 O ALA A 51 9.703 3.615 9.441 1.00 0.00 O ATOM 824 CB ALA A 51 9.956 6.746 9.910 1.00 0.00 C ATOM 0 H ALA A 51 11.757 7.241 8.429 1.00 0.00 H new ATOM 0 HA ALA A 51 11.412 5.180 10.354 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.151 6.300 10.494 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.471 7.493 10.513 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.539 7.221 9.022 1.00 0.00 H new ATOM 830 N ASN A 52 10.195 4.448 7.427 1.00 0.00 N ATOM 831 CA ASN A 52 9.664 3.269 6.717 1.00 0.00 C ATOM 832 C ASN A 52 10.706 2.141 6.577 1.00 0.00 C ATOM 833 O ASN A 52 10.346 0.963 6.601 1.00 0.00 O ATOM 834 CB ASN A 52 9.068 3.675 5.354 1.00 0.00 C ATOM 835 CG ASN A 52 8.125 2.612 4.796 1.00 0.00 C ATOM 836 OD1 ASN A 52 7.651 1.723 5.487 1.00 0.00 O ATOM 837 ND2 ASN A 52 7.714 2.726 3.560 1.00 0.00 N ATOM 0 H ASN A 52 10.523 5.198 6.818 1.00 0.00 H new ATOM 0 HA ASN A 52 8.860 2.859 7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.529 4.616 5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.876 3.850 4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.014 2.081 3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.094 3.460 2.962 1.00 0.00 H new ATOM 844 N ILE A 53 11.991 2.500 6.470 1.00 0.00 N ATOM 845 CA ILE A 53 13.121 1.577 6.318 1.00 0.00 C ATOM 846 C ILE A 53 13.479 0.920 7.645 1.00 0.00 C ATOM 847 O ILE A 53 13.319 -0.289 7.758 1.00 0.00 O ATOM 848 CB ILE A 53 14.324 2.300 5.673 1.00 0.00 C ATOM 849 CG1 ILE A 53 13.979 2.732 4.224 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.594 1.423 5.668 1.00 0.00 C ATOM 851 CD1 ILE A 53 14.924 3.797 3.653 1.00 0.00 C ATOM 0 H ILE A 53 12.282 3.477 6.488 1.00 0.00 H new ATOM 0 HA ILE A 53 12.827 0.772 5.645 1.00 0.00 H new ATOM 0 HB ILE A 53 14.532 3.182 6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.003 1.854 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 53 12.959 3.116 4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.414 1.972 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.863 1.166 6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.404 0.511 5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.619 4.047 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.883 4.691 4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 53 15.943 3.410 3.641 1.00 0.00 H new ATOM 863 N LYS A 54 13.868 1.678 8.679 1.00 0.00 N ATOM 864 CA LYS A 54 14.215 1.120 10.007 1.00 0.00 C ATOM 865 C LYS A 54 13.060 0.372 10.687 1.00 0.00 C ATOM 866 O LYS A 54 13.261 -0.275 11.707 1.00 0.00 O ATOM 867 CB LYS A 54 14.708 2.228 10.942 1.00 0.00 C ATOM 868 CG LYS A 54 15.989 2.916 10.444 1.00 0.00 C ATOM 869 CD LYS A 54 16.575 3.881 11.484 1.00 0.00 C ATOM 870 CE LYS A 54 15.496 4.834 12.007 1.00 0.00 C ATOM 871 NZ LYS A 54 16.050 6.137 12.420 1.00 0.00 N ATOM 0 H LYS A 54 13.953 2.693 8.626 1.00 0.00 H new ATOM 0 HA LYS A 54 15.005 0.392 9.820 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.923 2.975 11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.891 1.806 11.930 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.732 2.158 10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.772 3.463 9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.001 3.315 12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.388 4.454 11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.746 4.990 11.232 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.988 4.373 12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.276 6.764 12.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.709 5.999 13.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.556 6.568 11.620 1.00 0.00 H new ATOM 885 N LYS A 55 11.855 0.483 10.121 1.00 0.00 N ATOM 886 CA LYS A 55 10.649 -0.243 10.530 1.00 0.00 C ATOM 887 C LYS A 55 10.612 -1.671 9.988 1.00 0.00 C ATOM 888 O LYS A 55 10.082 -2.540 10.671 1.00 0.00 O ATOM 889 CB LYS A 55 9.440 0.585 10.073 1.00 0.00 C ATOM 890 CG LYS A 55 8.080 -0.123 10.086 1.00 0.00 C ATOM 891 CD LYS A 55 6.969 0.889 9.760 1.00 0.00 C ATOM 892 CE LYS A 55 5.886 0.326 8.833 1.00 0.00 C ATOM 893 NZ LYS A 55 6.376 0.138 7.443 1.00 0.00 N ATOM 0 H LYS A 55 11.686 1.107 9.332 1.00 0.00 H new ATOM 0 HA LYS A 55 10.636 -0.359 11.614 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.371 1.467 10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.631 0.937 9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.073 -0.933 9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.902 -0.572 11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.505 1.220 10.689 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.414 1.769 9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.536 -0.629 9.225 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.030 1.001 8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.600 -0.212 6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.718 1.047 7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.154 -0.552 7.440 1.00 0.00 H new ATOM 907 N ASN A 56 11.110 -1.875 8.759 1.00 0.00 N ATOM 908 CA ASN A 56 11.076 -3.104 7.947 1.00 0.00 C ATOM 909 C ASN A 56 9.923 -4.063 8.335 1.00 0.00 C ATOM 910 O ASN A 56 10.133 -5.218 8.693 1.00 0.00 O ATOM 911 CB ASN A 56 12.480 -3.757 7.939 1.00 0.00 C ATOM 912 CG ASN A 56 13.466 -3.292 6.868 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.650 -3.556 6.954 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.071 -2.664 5.781 1.00 0.00 N ATOM 0 H ASN A 56 11.588 -1.121 8.265 1.00 0.00 H new ATOM 0 HA ASN A 56 10.836 -2.837 6.918 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.936 -3.586 8.914 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.350 -4.834 7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.748 -2.421 5.058 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.088 -2.420 5.662 1.00 0.00 H new ATOM 921 N VAL A 57 8.682 -3.572 8.246 1.00 0.00 N ATOM 922 CA VAL A 57 7.470 -4.374 8.473 1.00 0.00 C ATOM 923 C VAL A 57 7.338 -5.405 7.373 1.00 0.00 C ATOM 924 O VAL A 57 7.297 -5.036 6.201 1.00 0.00 O ATOM 925 CB VAL A 57 6.212 -3.483 8.590 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.907 -4.088 8.062 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.998 -3.147 10.071 1.00 0.00 C ATOM 0 H VAL A 57 8.487 -2.598 8.012 1.00 0.00 H new ATOM 0 HA VAL A 57 7.561 -4.895 9.426 1.00 0.00 H new ATOM 0 HB VAL A 57 6.417 -2.616 7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.094 -3.374 8.196 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.016 -4.319 7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.681 -5.002 8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.114 -2.518 10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.858 -4.068 10.637 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.870 -2.616 10.453 1.00 0.00 H new ATOM 937 N LEU A 58 7.288 -6.684 7.747 1.00 0.00 N ATOM 938 CA LEU A 58 6.864 -7.760 6.858 1.00 0.00 C ATOM 939 C LEU A 58 5.399 -7.519 6.485 1.00 0.00 C ATOM 940 O LEU A 58 4.525 -7.537 7.342 1.00 0.00 O ATOM 941 CB LEU A 58 7.107 -9.129 7.522 1.00 0.00 C ATOM 942 CG LEU A 58 7.018 -10.315 6.533 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.811 -11.501 7.084 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.585 -10.800 6.294 1.00 0.00 C ATOM 0 H LEU A 58 7.543 -7.002 8.682 1.00 0.00 H new ATOM 0 HA LEU A 58 7.451 -7.768 5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.092 -9.128 7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.376 -9.273 8.318 1.00 0.00 H new ATOM 0 HG LEU A 58 7.421 -9.951 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.748 -12.336 6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.854 -11.213 7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.397 -11.800 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.595 -11.633 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.149 -11.127 7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.989 -9.985 5.883 1.00 0.00 H new ATOM 956 N TRP A 59 5.136 -7.203 5.225 1.00 0.00 N ATOM 957 CA TRP A 59 3.790 -6.931 4.723 1.00 0.00 C ATOM 958 C TRP A 59 2.898 -8.188 4.657 1.00 0.00 C ATOM 959 O TRP A 59 2.757 -8.809 3.603 1.00 0.00 O ATOM 960 CB TRP A 59 3.893 -6.218 3.370 1.00 0.00 C ATOM 961 CG TRP A 59 4.457 -4.823 3.391 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.493 -4.358 2.653 1.00 0.00 C ATOM 963 CD2 TRP A 59 3.984 -3.683 4.165 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.661 -3.004 2.884 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.785 -2.549 3.844 1.00 0.00 C ATOM 966 CE3 TRP A 59 2.949 -3.492 5.101 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.586 -1.290 4.432 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.712 -2.235 5.677 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.530 -1.131 5.353 1.00 0.00 C ATOM 0 H TRP A 59 5.859 -7.126 4.510 1.00 0.00 H new ATOM 0 HA TRP A 59 3.289 -6.276 5.435 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.510 -6.826 2.709 1.00 0.00 H new ATOM 0 HB3 TRP A 59 2.897 -6.178 2.928 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.097 -4.954 1.985 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.345 -2.419 2.405 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.326 -4.329 5.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.229 -0.459 4.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.897 -2.111 6.374 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.348 -0.169 5.808 1.00 0.00 H new ATOM 980 N ASP A 60 2.245 -8.528 5.768 1.00 0.00 N ATOM 981 CA ASP A 60 1.079 -9.434 5.791 1.00 0.00 C ATOM 982 C ASP A 60 -0.182 -8.700 5.272 1.00 0.00 C ATOM 983 O ASP A 60 -0.256 -7.470 5.372 1.00 0.00 O ATOM 984 CB ASP A 60 0.769 -9.914 7.226 1.00 0.00 C ATOM 985 CG ASP A 60 1.983 -10.199 8.119 1.00 0.00 C ATOM 986 OD1 ASP A 60 2.553 -11.300 7.988 1.00 0.00 O ATOM 987 OD2 ASP A 60 2.254 -9.346 8.999 1.00 0.00 O ATOM 0 H ASP A 60 2.507 -8.183 6.691 1.00 0.00 H new ATOM 0 HA ASP A 60 1.326 -10.285 5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.153 -9.159 7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.169 -10.822 7.162 1.00 0.00 H new ATOM 992 N GLU A 61 -1.240 -9.401 4.838 1.00 0.00 N ATOM 993 CA GLU A 61 -2.523 -8.775 4.464 1.00 0.00 C ATOM 994 C GLU A 61 -3.126 -7.955 5.621 1.00 0.00 C ATOM 995 O GLU A 61 -3.478 -6.783 5.461 1.00 0.00 O ATOM 996 CB GLU A 61 -3.551 -9.815 3.970 1.00 0.00 C ATOM 997 CG GLU A 61 -3.227 -10.484 2.618 1.00 0.00 C ATOM 998 CD GLU A 61 -2.443 -11.804 2.752 1.00 0.00 C ATOM 999 OE1 GLU A 61 -1.646 -11.896 3.719 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -2.630 -12.686 1.881 1.00 0.00 O ATOM 0 H GLU A 61 -1.233 -10.416 4.736 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.297 -8.095 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.645 -10.594 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.523 -9.329 3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.158 -10.677 2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.650 -9.789 2.008 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.245 -8.556 6.811 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.772 -7.917 8.013 1.00 0.00 C ATOM 1009 C ASN A 62 -2.882 -6.742 8.498 1.00 0.00 C ATOM 1010 O ASN A 62 -3.411 -5.760 9.014 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.947 -9.003 9.100 1.00 0.00 C ATOM 1012 CG ASN A 62 -4.988 -10.082 8.795 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -6.152 -10.025 9.180 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -4.588 -11.153 8.149 1.00 0.00 N ATOM 0 H ASN A 62 -2.969 -9.526 6.964 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.739 -7.467 7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.984 -9.488 9.262 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.220 -8.515 10.036 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.241 -11.918 7.976 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.625 -11.220 7.820 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.559 -6.818 8.299 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.544 -5.837 8.710 1.00 0.00 C ATOM 1023 C ASN A 63 -0.507 -4.609 7.776 1.00 0.00 C ATOM 1024 O ASN A 63 -0.522 -3.467 8.241 1.00 0.00 O ATOM 1025 CB ASN A 63 0.781 -6.618 8.749 1.00 0.00 C ATOM 1026 CG ASN A 63 1.967 -5.956 9.426 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.073 -4.746 9.556 1.00 0.00 O ATOM 1028 ND2 ASN A 63 2.918 -6.757 9.844 1.00 0.00 N ATOM 0 H ASN A 63 -1.143 -7.615 7.817 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.765 -5.406 9.686 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.596 -7.569 9.249 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.066 -6.848 7.722 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.754 -6.371 10.282 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.821 -7.766 9.731 1.00 0.00 H new ATOM 1035 N MET A 64 -0.590 -4.817 6.455 1.00 0.00 N ATOM 1036 CA MET A 64 -0.830 -3.727 5.498 1.00 0.00 C ATOM 1037 C MET A 64 -2.156 -3.010 5.795 1.00 0.00 C ATOM 1038 O MET A 64 -2.231 -1.791 5.659 1.00 0.00 O ATOM 1039 CB MET A 64 -0.836 -4.256 4.060 1.00 0.00 C ATOM 1040 CG MET A 64 -0.890 -3.116 3.032 1.00 0.00 C ATOM 1041 SD MET A 64 -1.118 -3.653 1.318 1.00 0.00 S ATOM 1042 CE MET A 64 0.479 -4.465 1.023 1.00 0.00 C ATOM 0 H MET A 64 -0.494 -5.736 6.022 1.00 0.00 H new ATOM 0 HA MET A 64 -0.016 -3.010 5.607 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.058 -4.856 3.890 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.694 -4.914 3.918 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.705 -2.443 3.299 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.034 -2.541 3.098 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.473 -4.932 0.038 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.278 -3.725 1.069 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.646 -5.227 1.785 1.00 0.00 H new ATOM 1052 N SER A 65 -3.191 -3.739 6.231 1.00 0.00 N ATOM 1053 CA SER A 65 -4.449 -3.120 6.649 1.00 0.00 C ATOM 1054 C SER A 65 -4.251 -2.046 7.729 1.00 0.00 C ATOM 1055 O SER A 65 -4.866 -0.994 7.610 1.00 0.00 O ATOM 1056 CB SER A 65 -5.447 -4.185 7.119 1.00 0.00 C ATOM 1057 OG SER A 65 -6.779 -3.717 6.995 1.00 0.00 O ATOM 0 H SER A 65 -3.179 -4.756 6.302 1.00 0.00 H new ATOM 0 HA SER A 65 -4.857 -2.614 5.774 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.320 -5.094 6.531 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.244 -4.447 8.157 1.00 0.00 H new ATOM 0 HG SER A 65 -7.351 -4.182 7.641 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.399 -2.260 8.740 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.213 -1.294 9.835 1.00 0.00 C ATOM 1065 C GLU A 66 -2.466 -0.022 9.401 1.00 0.00 C ATOM 1066 O GLU A 66 -2.878 1.099 9.712 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.528 -1.983 11.030 1.00 0.00 C ATOM 1068 CG GLU A 66 -2.563 -1.159 12.329 1.00 0.00 C ATOM 1069 CD GLU A 66 -3.975 -1.026 12.928 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.853 -0.438 12.250 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.175 -1.491 14.067 1.00 0.00 O ATOM 0 H GLU A 66 -2.824 -3.098 8.824 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.202 -0.954 10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.010 -2.944 11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.490 -2.191 10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.906 -1.624 13.064 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.165 -0.164 12.131 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.434 -0.177 8.564 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.820 0.935 7.832 1.00 0.00 C ATOM 1080 C TYR A 67 -1.859 1.754 7.051 1.00 0.00 C ATOM 1081 O TYR A 67 -1.744 2.970 6.957 1.00 0.00 O ATOM 1082 CB TYR A 67 0.269 0.388 6.895 1.00 0.00 C ATOM 1083 CG TYR A 67 1.031 1.420 6.081 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.601 2.536 6.713 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.194 1.257 4.693 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.320 3.497 5.976 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.942 2.193 3.956 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.525 3.306 4.594 1.00 0.00 C ATOM 1089 OH TYR A 67 3.282 4.186 3.886 1.00 0.00 O ATOM 0 H TYR A 67 -1.000 -1.081 8.375 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.368 1.614 8.555 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.986 -0.174 7.494 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.194 -0.318 6.206 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.487 2.660 7.780 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.744 0.412 4.193 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.712 4.376 6.467 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.071 2.057 2.892 1.00 0.00 H new ATOM 0 HH TYR A 67 2.730 4.614 3.199 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.907 1.113 6.529 1.00 0.00 N ATOM 1100 CA LEU A 68 -4.040 1.761 5.871 1.00 0.00 C ATOM 1101 C LEU A 68 -5.205 2.147 6.816 1.00 0.00 C ATOM 1102 O LEU A 68 -6.147 2.791 6.353 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.476 0.889 4.684 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.378 0.627 3.629 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.949 -0.256 2.521 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.816 1.902 2.986 1.00 0.00 C ATOM 0 H LEU A 68 -2.992 0.097 6.554 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.707 2.732 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.828 -0.069 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.324 1.367 4.193 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.556 0.144 4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.179 -0.445 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.282 -1.203 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.794 0.249 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.051 1.635 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.620 2.443 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.377 2.535 3.757 1.00 0.00 H new ATOM 1118 N THR A 69 -5.154 1.837 8.118 1.00 0.00 N ATOM 1119 CA THR A 69 -5.921 2.524 9.177 1.00 0.00 C ATOM 1120 C THR A 69 -5.347 3.909 9.462 1.00 0.00 C ATOM 1121 O THR A 69 -6.108 4.874 9.479 1.00 0.00 O ATOM 1122 CB THR A 69 -5.984 1.755 10.501 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.451 0.440 10.350 1.00 0.00 O ATOM 1124 CG2 THR A 69 -6.924 2.396 11.523 1.00 0.00 C ATOM 0 H THR A 69 -4.566 1.085 8.477 1.00 0.00 H new ATOM 0 HA THR A 69 -6.934 2.594 8.781 1.00 0.00 H new ATOM 0 HB THR A 69 -4.951 1.773 10.847 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.191 -0.091 11.131 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.924 1.804 12.438 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.585 3.408 11.745 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.934 2.433 11.115 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.032 4.022 9.711 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.366 5.313 9.942 1.00 0.00 C ATOM 1134 C ASN A 70 -1.861 5.300 9.554 1.00 0.00 C ATOM 1135 O ASN A 70 -0.997 5.090 10.419 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.592 5.756 11.403 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.285 7.237 11.585 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.353 7.796 11.025 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.059 7.946 12.375 1.00 0.00 N ATOM 0 H ASN A 70 -3.402 3.221 9.758 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.820 6.049 9.278 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.625 5.558 11.690 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.959 5.167 12.066 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.876 8.940 12.510 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.843 7.502 12.853 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.499 5.594 8.287 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.131 5.457 7.786 1.00 0.00 C ATOM 1148 C PRO A 71 0.828 6.443 8.442 1.00 0.00 C ATOM 1149 O PRO A 71 1.999 6.133 8.622 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.205 5.692 6.271 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.447 6.562 6.115 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.368 6.056 7.224 1.00 0.00 C ATOM 0 HA PRO A 71 0.261 4.468 8.023 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.688 6.193 5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.298 4.755 5.722 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.215 7.620 6.235 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.900 6.445 5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.027 6.850 7.576 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.006 5.249 6.863 1.00 0.00 H new ATOM 1160 N LYS A 72 0.318 7.616 8.832 1.00 0.00 N ATOM 1161 CA LYS A 72 1.045 8.705 9.496 1.00 0.00 C ATOM 1162 C LYS A 72 1.281 8.477 10.994 1.00 0.00 C ATOM 1163 O LYS A 72 1.994 9.265 11.612 1.00 0.00 O ATOM 1164 CB LYS A 72 0.316 10.030 9.199 1.00 0.00 C ATOM 1165 CG LYS A 72 0.642 10.509 7.769 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.546 11.083 6.988 1.00 0.00 C ATOM 1167 CE LYS A 72 -1.168 12.339 7.614 1.00 0.00 C ATOM 1168 NZ LYS A 72 -2.066 13.032 6.653 1.00 0.00 N ATOM 0 H LYS A 72 -0.665 7.844 8.685 1.00 0.00 H new ATOM 0 HA LYS A 72 2.054 8.743 9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.760 9.894 9.308 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.616 10.789 9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.421 11.270 7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.055 9.671 7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.219 11.320 5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.315 10.315 6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.730 12.063 8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.378 13.019 7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.498 13.858 7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.516 13.345 5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.813 12.379 6.343 1.00 0.00 H new ATOM 1182 N LYS A 73 0.702 7.417 11.577 1.00 0.00 N ATOM 1183 CA LYS A 73 1.002 6.958 12.943 1.00 0.00 C ATOM 1184 C LYS A 73 1.817 5.664 12.951 1.00 0.00 C ATOM 1185 O LYS A 73 2.776 5.567 13.706 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.289 6.876 13.769 1.00 0.00 C ATOM 1187 CG LYS A 73 0.041 6.927 15.268 1.00 0.00 C ATOM 1188 CD LYS A 73 -1.229 6.972 16.129 1.00 0.00 C ATOM 1189 CE LYS A 73 -0.900 7.200 17.612 1.00 0.00 C ATOM 1190 NZ LYS A 73 -0.359 8.562 17.866 1.00 0.00 N ATOM 0 H LYS A 73 0.001 6.845 11.106 1.00 0.00 H new ATOM 0 HA LYS A 73 1.644 7.695 13.425 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.951 7.701 13.506 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.821 5.953 13.537 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.634 6.054 15.540 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.653 7.805 15.476 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.882 7.769 15.774 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.778 6.037 16.017 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.800 7.052 18.209 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.174 6.456 17.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.343 8.744 18.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.607 8.628 17.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.963 9.268 17.399 1.00 0.00 H new ATOM 1204 N TYR A 74 1.485 4.709 12.079 1.00 0.00 N ATOM 1205 CA TYR A 74 2.274 3.495 11.806 1.00 0.00 C ATOM 1206 C TYR A 74 3.641 3.791 11.163 1.00 0.00 C ATOM 1207 O TYR A 74 4.563 2.977 11.207 1.00 0.00 O ATOM 1208 CB TYR A 74 1.445 2.585 10.894 1.00 0.00 C ATOM 1209 CG TYR A 74 1.734 1.100 11.034 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.484 0.458 12.261 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.231 0.354 9.945 1.00 0.00 C ATOM 1212 CE1 TYR A 74 1.768 -0.911 12.415 1.00 0.00 C ATOM 1213 CE2 TYR A 74 2.484 -1.026 10.085 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.276 -1.657 11.333 1.00 0.00 C ATOM 1215 OH TYR A 74 2.562 -2.974 11.506 1.00 0.00 O ATOM 0 H TYR A 74 0.632 4.757 11.522 1.00 0.00 H new ATOM 0 HA TYR A 74 2.491 3.010 12.758 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.388 2.755 11.100 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.619 2.878 9.859 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.073 1.018 13.087 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.419 0.842 9.000 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.596 -1.392 13.366 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.836 -1.600 9.241 1.00 0.00 H new ATOM 0 HH TYR A 74 2.123 -3.499 10.805 1.00 0.00 H new ATOM 1225 N ILE A 75 3.768 4.982 10.575 1.00 0.00 N ATOM 1226 CA ILE A 75 5.026 5.622 10.194 1.00 0.00 C ATOM 1227 C ILE A 75 4.950 7.136 10.508 1.00 0.00 C ATOM 1228 O ILE A 75 4.390 7.904 9.716 1.00 0.00 O ATOM 1229 CB ILE A 75 5.376 5.366 8.712 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.175 3.908 8.255 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.843 5.799 8.511 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.530 3.687 6.786 1.00 0.00 C ATOM 0 H ILE A 75 2.956 5.553 10.341 1.00 0.00 H new ATOM 0 HA ILE A 75 5.832 5.180 10.780 1.00 0.00 H new ATOM 0 HB ILE A 75 4.688 5.944 8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.787 3.252 8.873 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.136 3.622 8.419 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.132 5.634 7.473 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.947 6.857 8.753 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.488 5.212 9.165 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.367 2.641 6.526 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.900 4.319 6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.577 3.943 6.622 1.00 0.00 H new ATOM 1244 N PRO A 76 5.478 7.610 11.654 1.00 0.00 N ATOM 1245 CA PRO A 76 5.517 9.041 11.964 1.00 0.00 C ATOM 1246 C PRO A 76 6.481 9.778 11.022 1.00 0.00 C ATOM 1247 O PRO A 76 7.575 9.293 10.744 1.00 0.00 O ATOM 1248 CB PRO A 76 5.962 9.123 13.425 1.00 0.00 C ATOM 1249 CG PRO A 76 6.809 7.865 13.615 1.00 0.00 C ATOM 1250 CD PRO A 76 6.131 6.840 12.706 1.00 0.00 C ATOM 0 HA PRO A 76 4.549 9.522 11.823 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.539 10.027 13.618 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.109 9.138 14.103 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.847 8.032 13.328 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.815 7.538 14.655 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.860 6.146 12.287 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.407 6.244 13.261 1.00 0.00 H new ATOM 1258 N GLY A 77 6.093 10.953 10.516 1.00 0.00 N ATOM 1259 CA GLY A 77 6.904 11.712 9.547 1.00 0.00 C ATOM 1260 C GLY A 77 6.981 11.113 8.131 1.00 0.00 C ATOM 1261 O GLY A 77 7.814 11.537 7.333 1.00 0.00 O ATOM 0 H GLY A 77 5.213 11.406 10.762 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.500 12.722 9.474 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.917 11.802 9.940 1.00 0.00 H new ATOM 1265 N THR A 78 6.155 10.114 7.801 1.00 0.00 N ATOM 1266 CA THR A 78 6.154 9.477 6.471 1.00 0.00 C ATOM 1267 C THR A 78 5.807 10.418 5.314 1.00 0.00 C ATOM 1268 O THR A 78 4.924 11.270 5.411 1.00 0.00 O ATOM 1269 CB THR A 78 5.216 8.267 6.442 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.348 7.525 5.248 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.730 8.585 6.590 1.00 0.00 C ATOM 0 H THR A 78 5.468 9.722 8.444 1.00 0.00 H new ATOM 0 HA THR A 78 7.186 9.162 6.314 1.00 0.00 H new ATOM 0 HB THR A 78 5.536 7.700 7.316 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.735 6.761 5.268 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.155 7.660 6.556 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.558 9.085 7.543 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.415 9.238 5.776 1.00 0.00 H new ATOM 1279 N LYS A 79 6.423 10.146 4.158 1.00 0.00 N ATOM 1280 CA LYS A 79 6.058 10.721 2.857 1.00 0.00 C ATOM 1281 C LYS A 79 4.695 10.224 2.343 1.00 0.00 C ATOM 1282 O LYS A 79 4.123 10.887 1.480 1.00 0.00 O ATOM 1283 CB LYS A 79 7.206 10.471 1.850 1.00 0.00 C ATOM 1284 CG LYS A 79 8.156 11.680 1.706 1.00 0.00 C ATOM 1285 CD LYS A 79 9.651 11.362 1.496 1.00 0.00 C ATOM 1286 CE LYS A 79 9.990 10.146 0.623 1.00 0.00 C ATOM 1287 NZ LYS A 79 9.630 10.308 -0.800 1.00 0.00 N ATOM 0 H LYS A 79 7.212 9.502 4.099 1.00 0.00 H new ATOM 0 HA LYS A 79 5.929 11.797 2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.780 9.601 2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.781 10.232 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.815 12.283 0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.061 12.296 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.125 12.239 1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.106 11.213 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.059 9.946 0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.474 9.272 1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.889 9.448 -1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.606 10.469 -0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.141 11.122 -1.197 1.00 0.00 H new ATOM 1301 N MET A 80 4.108 9.138 2.878 1.00 0.00 N ATOM 1302 CA MET A 80 2.718 8.759 2.602 1.00 0.00 C ATOM 1303 C MET A 80 1.750 9.733 3.307 1.00 0.00 C ATOM 1304 O MET A 80 1.093 9.402 4.295 1.00 0.00 O ATOM 1305 CB MET A 80 2.481 7.269 2.926 1.00 0.00 C ATOM 1306 CG MET A 80 1.036 6.867 2.591 1.00 0.00 C ATOM 1307 SD MET A 80 0.701 5.171 2.002 1.00 0.00 S ATOM 1308 CE MET A 80 -1.082 5.123 2.290 1.00 0.00 C ATOM 0 H MET A 80 4.588 8.501 3.514 1.00 0.00 H new ATOM 0 HA MET A 80 2.510 8.854 1.536 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.177 6.652 2.358 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.680 7.084 3.982 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.434 7.030 3.485 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.671 7.557 1.831 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.507 4.248 1.798 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.276 5.067 3.361 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.540 6.025 1.885 1.00 0.00 H new ATOM 1318 N ALA A 81 1.653 10.953 2.769 1.00 0.00 N ATOM 1319 CA ALA A 81 0.961 12.115 3.330 1.00 0.00 C ATOM 1320 C ALA A 81 -0.567 11.996 3.470 1.00 0.00 C ATOM 1321 O ALA A 81 -1.207 12.893 4.016 1.00 0.00 O ATOM 1322 CB ALA A 81 1.353 13.337 2.491 1.00 0.00 C ATOM 0 H ALA A 81 2.085 11.168 1.870 1.00 0.00 H new ATOM 0 HA ALA A 81 1.288 12.206 4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.853 14.223 2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.433 13.479 2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.052 13.179 1.455 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.113 10.858 3.055 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.508 10.414 3.004 1.00 0.00 C ATOM 1330 C PHE A 82 -3.248 10.539 4.358 1.00 0.00 C ATOM 1331 O PHE A 82 -3.573 11.642 4.796 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.462 8.991 2.410 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.795 8.313 2.170 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.726 8.879 1.278 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.084 7.084 2.794 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.937 8.218 1.016 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.301 6.433 2.545 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.224 6.999 1.650 1.00 0.00 C ATOM 0 H PHE A 82 -0.504 10.122 2.696 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.115 11.063 2.372 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.926 9.035 1.462 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.875 8.361 3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.509 9.821 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.365 6.641 3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.648 8.648 0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.528 5.500 3.040 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.158 6.495 1.449 1.00 0.00 H new ATOM 1348 N GLY A 83 -3.512 9.446 5.077 1.00 0.00 N ATOM 1349 CA GLY A 83 -4.257 9.516 6.345 1.00 0.00 C ATOM 1350 C GLY A 83 -4.951 8.236 6.796 1.00 0.00 C ATOM 1351 O GLY A 83 -5.148 8.085 7.996 1.00 0.00 O ATOM 0 H GLY A 83 -3.225 8.505 4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.567 9.825 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.010 10.299 6.256 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.242 7.304 5.881 1.00 0.00 N ATOM 1356 CA GLY A 84 -5.774 5.978 6.216 1.00 0.00 C ATOM 1357 C GLY A 84 -7.299 5.867 6.104 1.00 0.00 C ATOM 1358 O GLY A 84 -8.058 6.663 6.656 1.00 0.00 O ATOM 0 H GLY A 84 -5.114 7.450 4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.318 5.239 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.476 5.726 7.234 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.775 4.848 5.387 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.185 4.514 5.223 1.00 0.00 C ATOM 1364 C LEU A 85 -9.670 3.659 6.403 1.00 0.00 C ATOM 1365 O LEU A 85 -9.591 2.433 6.389 1.00 0.00 O ATOM 1366 CB LEU A 85 -9.392 3.790 3.875 1.00 0.00 C ATOM 1367 CG LEU A 85 -9.111 4.664 2.642 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -9.238 3.847 1.356 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -10.085 5.843 2.527 1.00 0.00 C ATOM 0 H LEU A 85 -7.160 4.208 4.885 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.778 5.428 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.743 2.915 3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.419 3.428 3.824 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.096 5.040 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.035 4.487 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.522 3.026 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.248 3.445 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.844 6.429 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.105 5.466 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.000 6.473 3.412 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.247 4.316 7.418 1.00 0.00 N ATOM 1382 CA LYS A 86 -10.930 3.656 8.554 1.00 0.00 C ATOM 1383 C LYS A 86 -12.119 2.752 8.163 1.00 0.00 C ATOM 1384 O LYS A 86 -12.574 1.957 8.981 1.00 0.00 O ATOM 1385 CB LYS A 86 -11.397 4.701 9.583 1.00 0.00 C ATOM 1386 CG LYS A 86 -10.240 5.508 10.200 1.00 0.00 C ATOM 1387 CD LYS A 86 -10.654 6.233 11.494 1.00 0.00 C ATOM 1388 CE LYS A 86 -11.745 7.294 11.270 1.00 0.00 C ATOM 1389 NZ LYS A 86 -12.158 7.935 12.547 1.00 0.00 N ATOM 0 H LYS A 86 -10.256 5.334 7.480 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.179 2.995 8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.094 5.388 9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.944 4.197 10.379 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.407 4.838 10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.884 6.240 9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.012 5.499 12.216 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.777 6.709 11.933 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.377 8.056 10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.612 6.831 10.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.894 8.644 12.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.533 7.211 13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.336 8.398 12.985 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.645 2.855 6.933 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.604 1.894 6.363 1.00 0.00 C ATOM 1405 C LYS A 87 -12.907 0.561 6.053 1.00 0.00 C ATOM 1406 O LYS A 87 -12.460 0.334 4.931 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.274 2.452 5.092 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.418 3.444 5.339 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.118 3.735 4.000 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.451 4.468 4.178 1.00 0.00 C ATOM 1411 NZ LYS A 87 -18.192 4.525 2.891 1.00 0.00 N ATOM 0 H LYS A 87 -12.414 3.618 6.297 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.383 1.723 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.513 2.943 4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.659 1.617 4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.129 3.030 6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.031 4.367 5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.459 4.335 3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.291 2.796 3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.055 3.959 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.271 5.478 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.093 5.025 3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.621 5.031 2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.381 3.559 2.556 1.00 0.00 H new ATOM 1425 N GLU A 88 -12.883 -0.364 7.013 1.00 0.00 N ATOM 1426 CA GLU A 88 -12.337 -1.722 6.806 1.00 0.00 C ATOM 1427 C GLU A 88 -12.946 -2.448 5.598 1.00 0.00 C ATOM 1428 O GLU A 88 -12.326 -3.310 4.999 1.00 0.00 O ATOM 1429 CB GLU A 88 -12.718 -2.639 7.961 1.00 0.00 C ATOM 1430 CG GLU A 88 -12.289 -2.261 9.372 1.00 0.00 C ATOM 1431 CD GLU A 88 -12.892 -3.333 10.286 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -14.142 -3.479 10.207 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -12.120 -4.087 10.908 1.00 0.00 O ATOM 0 H GLU A 88 -13.238 -0.202 7.955 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.266 -1.557 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.804 -2.735 7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.310 -3.627 7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.203 -2.238 9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.651 -1.268 9.639 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.206 -2.147 5.284 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.013 -2.766 4.238 1.00 0.00 C ATOM 1442 C LYS A 89 -14.511 -2.363 2.844 1.00 0.00 C ATOM 1443 O LYS A 89 -14.225 -3.221 2.017 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.472 -2.366 4.475 1.00 0.00 C ATOM 1445 CG LYS A 89 -16.980 -2.473 5.930 1.00 0.00 C ATOM 1446 CD LYS A 89 -17.196 -3.902 6.476 1.00 0.00 C ATOM 1447 CE LYS A 89 -15.946 -4.588 7.068 1.00 0.00 C ATOM 1448 NZ LYS A 89 -15.931 -4.633 8.557 1.00 0.00 N ATOM 0 H LYS A 89 -14.719 -1.421 5.784 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.930 -3.852 4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.604 -1.337 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.105 -2.990 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.269 -1.963 6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.924 -1.932 6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.966 -3.864 7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.582 -4.525 5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.885 -5.606 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.056 -4.062 6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.052 -4.202 8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.748 -4.107 8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.983 -5.622 8.875 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.297 -1.061 2.652 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.510 -0.525 1.539 1.00 0.00 C ATOM 1464 C ASP A 90 -12.114 -1.183 1.482 1.00 0.00 C ATOM 1465 O ASP A 90 -11.690 -1.635 0.416 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.379 1.005 1.691 1.00 0.00 C ATOM 1467 CG ASP A 90 -14.491 1.863 1.065 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -15.331 1.333 0.310 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -14.497 3.095 1.322 1.00 0.00 O ATOM 0 H ASP A 90 -14.669 -0.341 3.271 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.024 -0.752 0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.329 1.237 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.428 1.309 1.253 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.402 -1.266 2.622 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.081 -1.915 2.701 1.00 0.00 C ATOM 1476 C ARG A 91 -10.090 -3.409 2.380 1.00 0.00 C ATOM 1477 O ARG A 91 -9.129 -3.871 1.783 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.394 -1.729 4.060 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.113 -0.272 4.444 1.00 0.00 C ATOM 1480 CD ARG A 91 -7.811 -0.168 5.243 1.00 0.00 C ATOM 1481 NE ARG A 91 -7.779 -1.057 6.421 1.00 0.00 N ATOM 1482 CZ ARG A 91 -7.962 -0.713 7.682 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -8.451 0.432 8.032 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -7.640 -1.520 8.642 1.00 0.00 N ATOM 0 H ARG A 91 -11.726 -0.886 3.511 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.515 -1.397 1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.018 -2.179 4.832 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.451 -2.276 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.044 0.340 3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.941 0.121 5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.972 -0.410 4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.674 0.863 5.570 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.596 -2.044 6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.713 1.114 7.320 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.574 0.653 9.020 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.240 -2.433 8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.786 -1.242 9.612 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.118 -4.173 2.739 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.187 -5.614 2.463 1.00 0.00 C ATOM 1500 C ASN A 92 -11.243 -5.867 0.955 1.00 0.00 C ATOM 1501 O ASN A 92 -10.523 -6.726 0.445 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.394 -6.248 3.178 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.151 -6.563 4.644 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -11.048 -6.528 5.160 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -13.184 -6.981 5.337 1.00 0.00 N ATOM 0 H ASN A 92 -11.934 -3.812 3.233 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.284 -6.085 2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.246 -5.572 3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.668 -7.167 2.660 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -13.063 -7.276 6.306 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.108 -7.011 4.907 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.031 -5.078 0.226 1.00 0.00 N ATOM 1513 CA ASP A 93 -11.986 -5.070 -1.239 1.00 0.00 C ATOM 1514 C ASP A 93 -10.627 -4.611 -1.782 1.00 0.00 C ATOM 1515 O ASP A 93 -10.079 -5.256 -2.675 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.090 -4.165 -1.784 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.406 -4.900 -2.004 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.390 -6.030 -2.527 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.443 -4.242 -1.778 1.00 0.00 O ATOM 0 H ASP A 93 -12.712 -4.433 0.626 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.140 -6.096 -1.573 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.252 -3.340 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.762 -3.728 -2.727 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.068 -3.521 -1.244 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.765 -2.975 -1.639 1.00 0.00 C ATOM 1526 C LEU A 94 -7.625 -4.005 -1.509 1.00 0.00 C ATOM 1527 O LEU A 94 -6.869 -4.219 -2.453 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.486 -1.716 -0.799 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.409 -0.809 -1.406 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -7.987 0.036 -2.543 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -6.893 0.154 -0.343 1.00 0.00 C ATOM 0 H LEU A 94 -10.519 -2.982 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.803 -2.714 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.410 -1.148 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.176 -2.017 0.202 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.610 -1.447 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.205 0.671 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.374 -0.620 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.795 0.659 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.128 0.798 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.717 0.766 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.465 -0.412 0.484 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.530 -4.666 -0.351 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.634 -5.792 -0.069 1.00 0.00 C ATOM 1545 C ILE A 95 -6.910 -6.923 -1.054 1.00 0.00 C ATOM 1546 O ILE A 95 -5.976 -7.361 -1.714 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.763 -6.264 1.401 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.216 -5.181 2.361 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.007 -7.587 1.646 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -6.705 -5.350 3.803 1.00 0.00 C ATOM 0 H ILE A 95 -8.104 -4.418 0.455 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.603 -5.464 -0.199 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.822 -6.433 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.126 -5.210 2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.513 -4.198 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.122 -7.884 2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.415 -8.364 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.949 -7.448 1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.285 -4.559 4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.793 -5.292 3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.385 -6.320 4.184 1.00 0.00 H new ATOM 1562 N THR A 96 -8.162 -7.386 -1.186 1.00 0.00 N ATOM 1563 CA THR A 96 -8.510 -8.493 -2.102 1.00 0.00 C ATOM 1564 C THR A 96 -8.001 -8.225 -3.518 1.00 0.00 C ATOM 1565 O THR A 96 -7.374 -9.089 -4.130 1.00 0.00 O ATOM 1566 CB THR A 96 -10.024 -8.765 -2.145 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.501 -9.097 -0.862 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.375 -9.948 -3.048 1.00 0.00 C ATOM 0 H THR A 96 -8.957 -7.011 -0.669 1.00 0.00 H new ATOM 0 HA THR A 96 -8.017 -9.380 -1.705 1.00 0.00 H new ATOM 0 HB THR A 96 -10.480 -7.852 -2.527 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.693 -8.276 -0.362 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.454 -10.100 -3.045 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.040 -9.742 -4.065 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.881 -10.847 -2.679 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.222 -7.010 -4.022 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.646 -6.517 -5.269 1.00 0.00 C ATOM 1578 C TYR A 97 -6.117 -6.574 -5.288 1.00 0.00 C ATOM 1579 O TYR A 97 -5.565 -7.212 -6.174 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.134 -5.092 -5.543 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.325 -4.371 -6.604 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.242 -4.893 -7.911 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.567 -3.239 -6.250 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.446 -4.252 -8.881 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.752 -2.616 -7.211 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.713 -3.096 -8.534 1.00 0.00 C ATOM 1587 OH TYR A 97 -4.962 -2.445 -9.460 1.00 0.00 O ATOM 0 H TYR A 97 -8.822 -6.326 -3.561 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.988 -7.182 -6.062 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.178 -5.127 -5.854 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.097 -4.519 -4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.790 -5.787 -8.170 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.611 -2.850 -5.243 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.397 -4.643 -9.886 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.151 -1.763 -6.932 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.807 -1.523 -9.166 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.425 -5.907 -4.357 1.00 0.00 N ATOM 1598 CA LEU A 98 -3.959 -5.789 -4.379 1.00 0.00 C ATOM 1599 C LEU A 98 -3.265 -7.152 -4.336 1.00 0.00 C ATOM 1600 O LEU A 98 -2.251 -7.370 -4.993 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.479 -4.929 -3.200 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.335 -3.977 -3.604 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -2.845 -2.771 -4.402 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.631 -3.437 -2.359 1.00 0.00 C ATOM 0 H LEU A 98 -5.863 -5.434 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.691 -5.311 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.315 -4.347 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.142 -5.578 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.652 -4.558 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.005 -2.128 -4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.336 -3.118 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.557 -2.209 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.826 -2.766 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.347 -2.892 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.218 -4.267 -1.786 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.863 -8.090 -3.598 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.495 -9.514 -3.605 1.00 0.00 C ATOM 1618 C LYS A 99 -3.587 -10.108 -5.027 1.00 0.00 C ATOM 1619 O LYS A 99 -2.633 -10.701 -5.511 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.352 -10.258 -2.560 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.687 -11.500 -1.945 1.00 0.00 C ATOM 1622 CD LYS A 99 -3.491 -12.655 -2.935 1.00 0.00 C ATOM 1623 CE LYS A 99 -3.139 -13.943 -2.186 1.00 0.00 C ATOM 1624 NZ LYS A 99 -3.036 -15.073 -3.133 1.00 0.00 N ATOM 0 H LYS A 99 -4.634 -7.880 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.451 -9.636 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.605 -9.564 -1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.289 -10.559 -3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.717 -11.216 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.294 -11.849 -1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.401 -12.802 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.697 -12.408 -3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.195 -13.817 -1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.901 -14.156 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.983 -15.966 -2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.873 -15.086 -3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.180 -14.963 -3.713 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.697 -9.863 -5.734 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.974 -10.132 -7.172 1.00 0.00 C ATOM 1640 C LYS A 100 -4.390 -9.087 -8.147 1.00 0.00 C ATOM 1641 O LYS A 100 -4.872 -8.925 -9.271 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.494 -10.269 -7.349 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.963 -11.631 -7.897 1.00 0.00 C ATOM 1644 CD LYS A 100 -7.086 -11.724 -9.432 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.771 -11.815 -10.221 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.993 -13.035 -9.921 1.00 0.00 N ATOM 0 H LYS A 100 -5.505 -9.432 -5.284 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.462 -11.057 -7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.974 -10.096 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.839 -9.484 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.266 -12.398 -7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.933 -11.865 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.690 -12.599 -9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.635 -10.851 -9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.993 -11.787 -11.288 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.161 -10.939 -9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.162 -13.079 -10.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.681 -13.012 -8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.588 -13.873 -10.078 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.414 -8.329 -7.671 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.483 -7.521 -8.458 1.00 0.00 C ATOM 1662 C ALA A 101 -1.007 -7.959 -8.308 1.00 0.00 C ATOM 1663 O ALA A 101 -0.195 -7.620 -9.171 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.699 -6.039 -8.133 1.00 0.00 C ATOM 0 H ALA A 101 -3.237 -8.254 -6.669 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.703 -7.685 -9.513 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.007 -5.434 -8.718 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.723 -5.758 -8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.521 -5.870 -7.071 1.00 0.00 H new ATOM 1670 N THR A 102 -0.657 -8.741 -7.268 1.00 0.00 N ATOM 1671 CA THR A 102 0.643 -9.452 -7.207 1.00 0.00 C ATOM 1672 C THR A 102 0.610 -10.838 -7.870 1.00 0.00 C ATOM 1673 O THR A 102 1.672 -11.414 -8.104 1.00 0.00 O ATOM 1674 CB THR A 102 1.214 -9.576 -5.780 1.00 0.00 C ATOM 1675 OG1 THR A 102 2.549 -10.023 -5.881 1.00 0.00 O ATOM 1676 CG2 THR A 102 0.506 -10.537 -4.828 1.00 0.00 C ATOM 0 H THR A 102 -1.254 -8.899 -6.456 1.00 0.00 H new ATOM 0 HA THR A 102 1.313 -8.813 -7.782 1.00 0.00 H new ATOM 0 HB THR A 102 1.086 -8.582 -5.351 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.675 -10.485 -6.736 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.009 -10.528 -3.861 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.531 -10.225 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.534 -11.545 -5.242 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.585 -11.360 -8.155 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.914 -12.605 -8.858 1.00 0.00 C ATOM 1686 C GLU A 103 -2.102 -12.353 -9.790 1.00 0.00 C ATOM 1687 O GLU A 103 -2.393 -13.207 -10.655 1.00 0.00 O ATOM 1688 CB GLU A 103 -1.220 -13.720 -7.829 1.00 0.00 C ATOM 1689 CG GLU A 103 -2.685 -13.728 -7.334 1.00 0.00 C ATOM 1690 CD GLU A 103 -2.966 -14.595 -6.099 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -2.068 -15.291 -5.573 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -4.113 -14.554 -5.584 1.00 0.00 O ATOM 1693 OXT GLU A 103 -2.857 -11.388 -9.531 1.00 0.00 O ATOM 0 H GLU A 103 -1.434 -10.872 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.069 -12.935 -9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.992 -14.687 -8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -0.557 -13.602 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.979 -12.703 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.323 -14.071 -8.149 1.00 0.00 H new