USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 786 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 Single : A 6 LYS NZ :NH3+ 132:sc= -0.244 (180deg=-1.07) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -151:sc= -2.4 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 162:sc= -2.7! (180deg=-4.52!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 40 GLN : amide:sc= -2.31 K(o=-2.3,f=-3.1!) USER MOD Single : A 52 THR OG1 : rot -160:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.5 K(o=-1.5,f=-9.9!) USER MOD Single : A 80 GLN : amide:sc= -1.95 K(o=-1.9,f=-4.4!) USER MOD Single : A 83 MET CE :methyl -157:sc= 0 (180deg=-0.0616) USER MOD Single : A 89 LYS NZ :NH3+ -124:sc= -2.59 (180deg=-7.07!) USER MOD Single : A 93 SER OG : rot -156:sc= 0.768 USER MOD Single : A 94 HIS : no HD1:sc= -10.1! C(o=-10!,f=-11!) USER MOD Single : A 102 HIS : no HD1:sc= -7.48! C(o=-7.5!,f=-9!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0502) USER MOD ----------------------------------------------------------------- ATOM 80 N LYS A 6 186.333 -9.044 2.120 1.00 0.00 N ATOM 81 CA LYS A 6 186.295 -7.746 1.455 1.00 0.00 C ATOM 82 C LYS A 6 184.866 -7.216 1.381 1.00 0.00 C ATOM 83 O LYS A 6 183.920 -7.898 1.774 1.00 0.00 O ATOM 84 CB LYS A 6 186.887 -7.852 0.047 1.00 0.00 C ATOM 85 CG LYS A 6 188.352 -7.452 -0.029 1.00 0.00 C ATOM 86 CD LYS A 6 188.557 -6.243 -0.928 1.00 0.00 C ATOM 87 CE LYS A 6 188.429 -4.943 -0.151 1.00 0.00 C ATOM 88 NZ LYS A 6 189.394 -4.875 0.981 1.00 0.00 N ATOM 0 HA LYS A 6 186.893 -7.047 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 6 186.780 -8.877 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 6 186.311 -7.220 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 6 188.721 -7.228 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 6 188.939 -8.290 -0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 6 189.542 -6.296 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 6 187.824 -6.260 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 6 188.597 -4.101 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 6 187.413 -4.848 0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 189.881 -3.956 0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 188.883 -4.983 1.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 190.094 -5.639 0.887 1.00 0.00 H new ATOM 102 N LYS A 7 184.717 -5.995 0.876 1.00 0.00 N ATOM 103 CA LYS A 7 183.403 -5.375 0.750 1.00 0.00 C ATOM 104 C LYS A 7 182.979 -5.292 -0.713 1.00 0.00 C ATOM 105 O LYS A 7 183.762 -4.898 -1.577 1.00 0.00 O ATOM 106 CB LYS A 7 183.412 -3.978 1.372 1.00 0.00 C ATOM 107 CG LYS A 7 183.187 -3.982 2.876 1.00 0.00 C ATOM 108 CD LYS A 7 182.417 -2.750 3.328 1.00 0.00 C ATOM 109 CE LYS A 7 183.323 -1.745 4.021 1.00 0.00 C ATOM 110 NZ LYS A 7 183.556 -0.537 3.183 1.00 0.00 N ATOM 0 H LYS A 7 185.490 -5.416 0.548 1.00 0.00 H new ATOM 0 HA LYS A 7 182.683 -5.996 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 7 184.367 -3.499 1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 7 182.639 -3.373 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 7 182.638 -4.880 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 7 184.148 -4.020 3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 7 181.944 -2.280 2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 7 181.618 -3.049 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 7 182.877 -1.448 4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 7 184.278 -2.216 4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 184.178 0.123 3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 184.005 -0.817 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 182.647 -0.072 2.984 1.00 0.00 H new ATOM 124 N LEU A 8 181.734 -5.671 -0.982 1.00 0.00 N ATOM 125 CA LEU A 8 181.200 -5.646 -2.339 1.00 0.00 C ATOM 126 C LEU A 8 181.254 -4.231 -2.924 1.00 0.00 C ATOM 127 O LEU A 8 181.160 -3.241 -2.200 1.00 0.00 O ATOM 128 CB LEU A 8 179.780 -6.251 -2.352 1.00 0.00 C ATOM 129 CG LEU A 8 178.593 -5.285 -2.371 1.00 0.00 C ATOM 130 CD1 LEU A 8 178.796 -4.129 -1.405 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.351 -4.787 -3.782 1.00 0.00 C ATOM 0 H LEU A 8 181.075 -6.000 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 8 181.822 -6.263 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.699 -6.898 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 8 179.679 -6.888 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 8 177.708 -5.826 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 8 177.933 -3.464 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 8 178.907 -4.516 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 8 179.693 -3.576 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 8 177.504 -4.100 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 8 179.240 -4.269 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 8 178.134 -5.633 -4.434 1.00 0.00 H new ATOM 143 N ASP A 9 181.436 -4.152 -4.241 1.00 0.00 N ATOM 144 CA ASP A 9 181.532 -2.868 -4.936 1.00 0.00 C ATOM 145 C ASP A 9 180.418 -1.909 -4.509 1.00 0.00 C ATOM 146 O ASP A 9 179.275 -2.317 -4.325 1.00 0.00 O ATOM 147 CB ASP A 9 181.482 -3.083 -6.450 1.00 0.00 C ATOM 148 CG ASP A 9 182.844 -2.940 -7.100 1.00 0.00 C ATOM 149 OD1 ASP A 9 183.588 -3.942 -7.147 1.00 0.00 O ATOM 150 OD2 ASP A 9 183.167 -1.825 -7.562 1.00 0.00 O ATOM 0 H ASP A 9 181.520 -4.965 -4.851 1.00 0.00 H new ATOM 0 HA ASP A 9 182.486 -2.416 -4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 9 181.085 -4.076 -6.660 1.00 0.00 H new ATOM 0 HB3 ASP A 9 180.794 -2.364 -6.894 1.00 0.00 H new ATOM 155 N PRO A 10 180.739 -0.613 -4.347 1.00 0.00 N ATOM 156 CA PRO A 10 179.755 0.397 -3.941 1.00 0.00 C ATOM 157 C PRO A 10 178.599 0.511 -4.931 1.00 0.00 C ATOM 158 O PRO A 10 177.436 0.326 -4.567 1.00 0.00 O ATOM 159 CB PRO A 10 180.560 1.704 -3.906 1.00 0.00 C ATOM 160 CG PRO A 10 181.783 1.434 -4.715 1.00 0.00 C ATOM 161 CD PRO A 10 182.075 -0.029 -4.548 1.00 0.00 C ATOM 0 HA PRO A 10 179.292 0.146 -2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 10 179.986 2.531 -4.324 1.00 0.00 H new ATOM 0 HB3 PRO A 10 180.818 1.980 -2.884 1.00 0.00 H new ATOM 0 HG2 PRO A 10 181.620 1.682 -5.764 1.00 0.00 H new ATOM 0 HG3 PRO A 10 182.620 2.041 -4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.569 -0.445 -5.426 1.00 0.00 H new ATOM 0 HD3 PRO A 10 182.729 -0.215 -3.696 1.00 0.00 H new ATOM 169 N ASP A 11 178.924 0.817 -6.182 1.00 0.00 N ATOM 170 CA ASP A 11 177.912 0.957 -7.223 1.00 0.00 C ATOM 171 C ASP A 11 177.192 -0.365 -7.465 1.00 0.00 C ATOM 172 O ASP A 11 176.013 -0.385 -7.820 1.00 0.00 O ATOM 173 CB ASP A 11 178.551 1.452 -8.522 1.00 0.00 C ATOM 174 CG ASP A 11 178.411 2.952 -8.700 1.00 0.00 C ATOM 175 OD1 ASP A 11 178.643 3.690 -7.719 1.00 0.00 O ATOM 176 OD2 ASP A 11 178.069 3.388 -9.819 1.00 0.00 O ATOM 0 H ASP A 11 179.880 0.973 -6.500 1.00 0.00 H new ATOM 0 HA ASP A 11 177.179 1.690 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 11 179.608 1.185 -8.529 1.00 0.00 H new ATOM 0 HB3 ASP A 11 178.089 0.944 -9.368 1.00 0.00 H new ATOM 181 N THR A 12 177.907 -1.469 -7.271 1.00 0.00 N ATOM 182 CA THR A 12 177.332 -2.795 -7.468 1.00 0.00 C ATOM 183 C THR A 12 176.135 -3.010 -6.547 1.00 0.00 C ATOM 184 O THR A 12 175.037 -3.331 -7.005 1.00 0.00 O ATOM 185 CB THR A 12 178.387 -3.876 -7.220 1.00 0.00 C ATOM 186 OG1 THR A 12 179.456 -3.750 -8.140 1.00 0.00 O ATOM 187 CG2 THR A 12 177.845 -5.285 -7.339 1.00 0.00 C ATOM 0 H THR A 12 178.884 -1.472 -6.978 1.00 0.00 H new ATOM 0 HA THR A 12 176.990 -2.866 -8.500 1.00 0.00 H new ATOM 0 HB THR A 12 178.723 -3.720 -6.195 1.00 0.00 H new ATOM 0 HG1 THR A 12 179.857 -4.630 -8.298 1.00 0.00 H new ATOM 0 HG21 THR A 12 178.646 -6.000 -7.151 1.00 0.00 H new ATOM 0 HG22 THR A 12 177.049 -5.432 -6.609 1.00 0.00 H new ATOM 0 HG23 THR A 12 177.449 -5.439 -8.343 1.00 0.00 H new ATOM 195 N ALA A 13 176.350 -2.829 -5.248 1.00 0.00 N ATOM 196 CA ALA A 13 175.286 -3.001 -4.266 1.00 0.00 C ATOM 197 C ALA A 13 174.116 -2.070 -4.559 1.00 0.00 C ATOM 198 O ALA A 13 172.970 -2.509 -4.657 1.00 0.00 O ATOM 199 CB ALA A 13 175.820 -2.758 -2.863 1.00 0.00 C ATOM 0 H ALA A 13 177.251 -2.563 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 13 174.925 -4.027 -4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 13 175.015 -2.890 -2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 13 176.619 -3.468 -2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 13 176.209 -1.742 -2.793 1.00 0.00 H new ATOM 205 N ILE A 14 174.413 -0.779 -4.700 1.00 0.00 N ATOM 206 CA ILE A 14 173.386 0.220 -4.984 1.00 0.00 C ATOM 207 C ILE A 14 172.453 -0.249 -6.100 1.00 0.00 C ATOM 208 O ILE A 14 171.244 -0.026 -6.048 1.00 0.00 O ATOM 209 CB ILE A 14 174.020 1.571 -5.382 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.802 2.156 -4.205 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.953 2.549 -5.854 1.00 0.00 C ATOM 212 CD1 ILE A 14 175.541 3.433 -4.542 1.00 0.00 C ATOM 0 H ILE A 14 175.357 -0.401 -4.622 1.00 0.00 H new ATOM 0 HA ILE A 14 172.807 0.354 -4.070 1.00 0.00 H new ATOM 0 HB ILE A 14 174.711 1.398 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 14 174.113 2.351 -3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 14 175.518 1.414 -3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 14 173.422 3.494 -6.129 1.00 0.00 H new ATOM 0 HG22 ILE A 14 172.437 2.134 -6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 14 172.236 2.720 -5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 14 176.072 3.789 -3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 14 176.255 3.240 -5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 14 174.828 4.191 -4.867 1.00 0.00 H new ATOM 224 N ASP A 15 173.026 -0.903 -7.103 1.00 0.00 N ATOM 225 CA ASP A 15 172.250 -1.410 -8.228 1.00 0.00 C ATOM 226 C ASP A 15 171.299 -2.513 -7.773 1.00 0.00 C ATOM 227 O ASP A 15 170.115 -2.510 -8.116 1.00 0.00 O ATOM 228 CB ASP A 15 173.182 -1.942 -9.319 1.00 0.00 C ATOM 229 CG ASP A 15 172.651 -1.678 -10.714 1.00 0.00 C ATOM 230 OD1 ASP A 15 171.914 -2.537 -11.241 1.00 0.00 O ATOM 231 OD2 ASP A 15 172.972 -0.612 -11.280 1.00 0.00 O ATOM 0 H ASP A 15 174.026 -1.095 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 15 171.661 -0.588 -8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 15 174.163 -1.478 -9.213 1.00 0.00 H new ATOM 0 HB3 ASP A 15 173.320 -3.015 -9.183 1.00 0.00 H new ATOM 236 N ILE A 16 171.824 -3.452 -6.991 1.00 0.00 N ATOM 237 CA ILE A 16 171.021 -4.556 -6.484 1.00 0.00 C ATOM 238 C ILE A 16 169.875 -4.042 -5.621 1.00 0.00 C ATOM 239 O ILE A 16 168.705 -4.229 -5.955 1.00 0.00 O ATOM 240 CB ILE A 16 171.872 -5.544 -5.661 1.00 0.00 C ATOM 241 CG1 ILE A 16 173.103 -5.979 -6.457 1.00 0.00 C ATOM 242 CG2 ILE A 16 171.043 -6.756 -5.264 1.00 0.00 C ATOM 243 CD1 ILE A 16 174.365 -6.052 -5.626 1.00 0.00 C ATOM 0 H ILE A 16 172.800 -3.469 -6.696 1.00 0.00 H new ATOM 0 HA ILE A 16 170.616 -5.080 -7.350 1.00 0.00 H new ATOM 0 HB ILE A 16 172.206 -5.040 -4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 16 172.912 -6.956 -6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 16 173.259 -5.281 -7.280 1.00 0.00 H new ATOM 0 HG21 ILE A 16 171.658 -7.444 -4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.193 -6.434 -4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 16 170.683 -7.260 -6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 16 175.197 -6.367 -6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 16 174.580 -5.070 -5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 16 174.228 -6.772 -4.819 1.00 0.00 H new ATOM 255 N ALA A 17 170.217 -3.391 -4.511 1.00 0.00 N ATOM 256 CA ALA A 17 169.212 -2.847 -3.602 1.00 0.00 C ATOM 257 C ALA A 17 168.139 -2.080 -4.365 1.00 0.00 C ATOM 258 O ALA A 17 166.956 -2.150 -4.033 1.00 0.00 O ATOM 259 CB ALA A 17 169.865 -1.949 -2.564 1.00 0.00 C ATOM 0 H ALA A 17 171.181 -3.228 -4.220 1.00 0.00 H new ATOM 0 HA ALA A 17 168.733 -3.683 -3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 17 169.102 -1.552 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 17 170.589 -2.525 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.373 -1.125 -3.064 1.00 0.00 H new ATOM 265 N TYR A 18 168.558 -1.356 -5.399 1.00 0.00 N ATOM 266 CA TYR A 18 167.627 -0.588 -6.217 1.00 0.00 C ATOM 267 C TYR A 18 166.528 -1.497 -6.753 1.00 0.00 C ATOM 268 O TYR A 18 165.339 -1.224 -6.583 1.00 0.00 O ATOM 269 CB TYR A 18 168.364 0.084 -7.377 1.00 0.00 C ATOM 270 CG TYR A 18 167.559 1.163 -8.064 1.00 0.00 C ATOM 271 CD1 TYR A 18 166.427 0.846 -8.805 1.00 0.00 C ATOM 272 CD2 TYR A 18 167.930 2.498 -7.973 1.00 0.00 C ATOM 273 CE1 TYR A 18 165.688 1.830 -9.434 1.00 0.00 C ATOM 274 CE2 TYR A 18 167.196 3.487 -8.599 1.00 0.00 C ATOM 275 CZ TYR A 18 166.077 3.148 -9.329 1.00 0.00 C ATOM 276 OH TYR A 18 165.343 4.130 -9.955 1.00 0.00 O ATOM 0 H TYR A 18 169.533 -1.286 -5.689 1.00 0.00 H new ATOM 0 HA TYR A 18 167.176 0.186 -5.596 1.00 0.00 H new ATOM 0 HB2 TYR A 18 169.292 0.517 -7.004 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.638 -0.675 -8.110 1.00 0.00 H new ATOM 0 HD1 TYR A 18 166.120 -0.186 -8.891 1.00 0.00 H new ATOM 0 HD2 TYR A 18 168.807 2.768 -7.403 1.00 0.00 H new ATOM 0 HE1 TYR A 18 164.810 1.567 -10.005 1.00 0.00 H new ATOM 0 HE2 TYR A 18 167.498 4.521 -8.517 1.00 0.00 H new ATOM 0 HH TYR A 18 165.751 5.004 -9.781 1.00 0.00 H new ATOM 286 N ASP A 19 166.938 -2.591 -7.388 1.00 0.00 N ATOM 287 CA ASP A 19 165.992 -3.553 -7.935 1.00 0.00 C ATOM 288 C ASP A 19 165.158 -4.182 -6.821 1.00 0.00 C ATOM 289 O ASP A 19 164.066 -4.695 -7.066 1.00 0.00 O ATOM 290 CB ASP A 19 166.731 -4.642 -8.713 1.00 0.00 C ATOM 291 CG ASP A 19 166.971 -4.256 -10.159 1.00 0.00 C ATOM 292 OD1 ASP A 19 167.211 -3.058 -10.422 1.00 0.00 O ATOM 293 OD2 ASP A 19 166.920 -5.150 -11.030 1.00 0.00 O ATOM 0 H ASP A 19 167.918 -2.832 -7.535 1.00 0.00 H new ATOM 0 HA ASP A 19 165.323 -3.025 -8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 19 167.687 -4.845 -8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 19 166.154 -5.566 -8.677 1.00 0.00 H new ATOM 298 N ILE A 20 165.677 -4.135 -5.596 1.00 0.00 N ATOM 299 CA ILE A 20 164.977 -4.697 -4.448 1.00 0.00 C ATOM 300 C ILE A 20 163.855 -3.777 -3.988 1.00 0.00 C ATOM 301 O ILE A 20 162.833 -4.243 -3.491 1.00 0.00 O ATOM 302 CB ILE A 20 165.935 -4.958 -3.266 1.00 0.00 C ATOM 303 CG1 ILE A 20 167.063 -5.899 -3.693 1.00 0.00 C ATOM 304 CG2 ILE A 20 165.175 -5.542 -2.082 1.00 0.00 C ATOM 305 CD1 ILE A 20 168.146 -6.056 -2.647 1.00 0.00 C ATOM 0 H ILE A 20 166.579 -3.713 -5.375 1.00 0.00 H new ATOM 0 HA ILE A 20 164.555 -5.648 -4.773 1.00 0.00 H new ATOM 0 HB ILE A 20 166.373 -4.008 -2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 20 166.642 -6.879 -3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 20 167.510 -5.524 -4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 20 165.866 -5.720 -1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 20 164.403 -4.841 -1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 20 164.711 -6.484 -2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 20 168.913 -6.737 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 20 168.593 -5.084 -2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 20 167.713 -6.460 -1.732 1.00 0.00 H new ATOM 317 N PHE A 21 164.035 -2.475 -4.171 1.00 0.00 N ATOM 318 CA PHE A 21 163.018 -1.505 -3.782 1.00 0.00 C ATOM 319 C PHE A 21 161.881 -1.499 -4.800 1.00 0.00 C ATOM 320 O PHE A 21 160.737 -1.188 -4.473 1.00 0.00 O ATOM 321 CB PHE A 21 163.642 -0.110 -3.674 1.00 0.00 C ATOM 322 CG PHE A 21 162.641 1.005 -3.542 1.00 0.00 C ATOM 323 CD1 PHE A 21 161.646 0.953 -2.580 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.701 2.108 -4.380 1.00 0.00 C ATOM 325 CE1 PHE A 21 160.730 1.980 -2.455 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.787 3.138 -4.260 1.00 0.00 C ATOM 327 CZ PHE A 21 160.801 3.074 -3.295 1.00 0.00 C ATOM 0 H PHE A 21 164.873 -2.067 -4.585 1.00 0.00 H new ATOM 0 HA PHE A 21 162.613 -1.786 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.309 -0.088 -2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 21 164.256 0.070 -4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 21 161.585 0.100 -1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 21 163.471 2.163 -5.135 1.00 0.00 H new ATOM 0 HE1 PHE A 21 159.959 1.927 -1.701 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.844 3.991 -4.920 1.00 0.00 H new ATOM 0 HZ PHE A 21 160.087 3.878 -3.197 1.00 0.00 H new ATOM 337 N LEU A 22 162.216 -1.843 -6.038 1.00 0.00 N ATOM 338 CA LEU A 22 161.244 -1.880 -7.123 1.00 0.00 C ATOM 339 C LEU A 22 160.387 -3.139 -7.059 1.00 0.00 C ATOM 340 O LEU A 22 159.216 -3.127 -7.441 1.00 0.00 O ATOM 341 CB LEU A 22 161.981 -1.843 -8.460 1.00 0.00 C ATOM 342 CG LEU A 22 161.614 -0.692 -9.394 1.00 0.00 C ATOM 343 CD1 LEU A 22 161.646 0.637 -8.653 1.00 0.00 C ATOM 344 CD2 LEU A 22 162.568 -0.678 -10.574 1.00 0.00 C ATOM 0 H LEU A 22 163.162 -2.102 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 22 160.589 -1.014 -7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 22 163.052 -1.796 -8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 22 161.794 -2.782 -8.982 1.00 0.00 H new ATOM 0 HG LEU A 22 160.598 -0.839 -9.760 1.00 0.00 H new ATOM 0 HD11 LEU A 22 161.381 1.442 -9.338 1.00 0.00 H new ATOM 0 HD12 LEU A 22 160.932 0.612 -7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 22 162.648 0.810 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 22 162.308 0.143 -11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 22 163.589 -0.545 -10.215 1.00 0.00 H new ATOM 0 HD23 LEU A 22 162.494 -1.622 -11.113 1.00 0.00 H new ATOM 356 N GLU A 23 160.984 -4.225 -6.589 1.00 0.00 N ATOM 357 CA GLU A 23 160.283 -5.503 -6.491 1.00 0.00 C ATOM 358 C GLU A 23 159.693 -5.731 -5.099 1.00 0.00 C ATOM 359 O GLU A 23 158.596 -6.272 -4.969 1.00 0.00 O ATOM 360 CB GLU A 23 161.232 -6.650 -6.845 1.00 0.00 C ATOM 361 CG GLU A 23 162.368 -6.829 -5.851 1.00 0.00 C ATOM 362 CD GLU A 23 163.497 -7.676 -6.403 1.00 0.00 C ATOM 363 OE1 GLU A 23 164.220 -7.192 -7.298 1.00 0.00 O ATOM 364 OE2 GLU A 23 163.658 -8.825 -5.939 1.00 0.00 O ATOM 0 H GLU A 23 161.952 -4.250 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 23 159.456 -5.475 -7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 23 160.662 -7.577 -6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 23 161.651 -6.471 -7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 23 162.757 -5.851 -5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 23 161.982 -7.292 -4.943 1.00 0.00 H new ATOM 371 N MET A 24 160.421 -5.326 -4.061 1.00 0.00 N ATOM 372 CA MET A 24 159.946 -5.506 -2.690 1.00 0.00 C ATOM 373 C MET A 24 158.835 -4.520 -2.358 1.00 0.00 C ATOM 374 O MET A 24 157.774 -4.909 -1.871 1.00 0.00 O ATOM 375 CB MET A 24 161.088 -5.339 -1.687 1.00 0.00 C ATOM 376 CG MET A 24 162.099 -6.474 -1.714 1.00 0.00 C ATOM 377 SD MET A 24 162.956 -6.681 -0.140 1.00 0.00 S ATOM 378 CE MET A 24 161.575 -6.743 0.999 1.00 0.00 C ATOM 0 H MET A 24 161.333 -4.876 -4.140 1.00 0.00 H new ATOM 0 HA MET A 24 159.552 -6.520 -2.617 1.00 0.00 H new ATOM 0 HB2 MET A 24 161.604 -4.401 -1.891 1.00 0.00 H new ATOM 0 HB3 MET A 24 160.669 -5.261 -0.684 1.00 0.00 H new ATOM 0 HG2 MET A 24 161.589 -7.403 -1.970 1.00 0.00 H new ATOM 0 HG3 MET A 24 162.831 -6.285 -2.499 1.00 0.00 H new ATOM 0 HE1 MET A 24 161.901 -7.179 1.943 1.00 0.00 H new ATOM 0 HE2 MET A 24 161.202 -5.734 1.174 1.00 0.00 H new ATOM 0 HE3 MET A 24 160.779 -7.354 0.573 1.00 0.00 H new ATOM 388 N ALA A 25 159.086 -3.241 -2.618 1.00 0.00 N ATOM 389 CA ALA A 25 158.101 -2.199 -2.336 1.00 0.00 C ATOM 390 C ALA A 25 156.732 -2.556 -2.911 1.00 0.00 C ATOM 391 O ALA A 25 156.634 -3.182 -3.967 1.00 0.00 O ATOM 392 CB ALA A 25 158.572 -0.861 -2.884 1.00 0.00 C ATOM 0 H ALA A 25 159.959 -2.901 -3.022 1.00 0.00 H new ATOM 0 HA ALA A 25 157.999 -2.121 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 25 157.827 -0.096 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 25 159.519 -0.590 -2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 25 158.708 -0.937 -3.963 1.00 0.00 H new ATOM 398 N GLY A 26 155.678 -2.156 -2.205 1.00 0.00 N ATOM 399 CA GLY A 26 154.329 -2.444 -2.656 1.00 0.00 C ATOM 400 C GLY A 26 153.786 -3.728 -2.061 1.00 0.00 C ATOM 401 O GLY A 26 152.970 -4.412 -2.679 1.00 0.00 O ATOM 0 H GLY A 26 155.735 -1.637 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 26 153.674 -1.616 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 26 154.320 -2.518 -3.743 1.00 0.00 H new ATOM 405 N GLU A 27 154.243 -4.056 -0.857 1.00 0.00 N ATOM 406 CA GLU A 27 153.804 -5.269 -0.172 1.00 0.00 C ATOM 407 C GLU A 27 153.887 -5.112 1.346 1.00 0.00 C ATOM 408 O GLU A 27 153.054 -5.646 2.078 1.00 0.00 O ATOM 409 CB GLU A 27 154.653 -6.462 -0.615 1.00 0.00 C ATOM 410 CG GLU A 27 154.194 -7.087 -1.921 1.00 0.00 C ATOM 411 CD GLU A 27 152.857 -7.791 -1.793 1.00 0.00 C ATOM 412 OE1 GLU A 27 151.816 -7.129 -1.987 1.00 0.00 O ATOM 413 OE2 GLU A 27 152.851 -9.005 -1.499 1.00 0.00 O ATOM 0 H GLU A 27 154.918 -3.499 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 27 152.762 -5.445 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 27 155.689 -6.140 -0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 27 154.634 -7.221 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 27 154.121 -6.312 -2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 27 154.945 -7.800 -2.262 1.00 0.00 H new ATOM 420 N ASN A 28 154.896 -4.381 1.812 1.00 0.00 N ATOM 421 CA ASN A 28 155.085 -4.162 3.243 1.00 0.00 C ATOM 422 C ASN A 28 155.056 -2.673 3.586 1.00 0.00 C ATOM 423 O ASN A 28 154.651 -2.288 4.683 1.00 0.00 O ATOM 424 CB ASN A 28 156.410 -4.776 3.696 1.00 0.00 C ATOM 425 CG ASN A 28 156.276 -5.548 4.994 1.00 0.00 C ATOM 426 OD1 ASN A 28 156.003 -4.972 6.047 1.00 0.00 O ATOM 427 ND2 ASN A 28 156.469 -6.860 4.925 1.00 0.00 N ATOM 0 H ASN A 28 155.594 -3.931 1.220 1.00 0.00 H new ATOM 0 HA ASN A 28 154.262 -4.646 3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 28 156.784 -5.441 2.918 1.00 0.00 H new ATOM 0 HB3 ASN A 28 157.150 -3.985 3.822 1.00 0.00 H new ATOM 0 HD21 ASN A 28 156.393 -7.432 5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 28 156.694 -7.296 4.031 1.00 0.00 H new ATOM 434 N LEU A 29 155.492 -1.843 2.644 1.00 0.00 N ATOM 435 CA LEU A 29 155.522 -0.398 2.845 1.00 0.00 C ATOM 436 C LEU A 29 154.104 0.169 2.902 1.00 0.00 C ATOM 437 O LEU A 29 153.217 -0.272 2.171 1.00 0.00 O ATOM 438 CB LEU A 29 156.334 0.255 1.724 1.00 0.00 C ATOM 439 CG LEU A 29 156.281 1.783 1.652 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.608 2.338 1.160 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.153 2.212 0.730 1.00 0.00 C ATOM 0 H LEU A 29 155.830 -2.147 1.731 1.00 0.00 H new ATOM 0 HA LEU A 29 156.001 -0.177 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 29 157.376 -0.047 1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 29 155.986 -0.145 0.772 1.00 0.00 H new ATOM 0 HG LEU A 29 156.095 2.179 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 29 157.553 3.426 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.402 2.043 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 29 157.821 1.944 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.117 3.300 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 29 155.325 1.809 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.205 1.835 1.115 1.00 0.00 H new ATOM 453 N ASP A 30 153.897 1.138 3.790 1.00 0.00 N ATOM 454 CA ASP A 30 152.584 1.759 3.966 1.00 0.00 C ATOM 455 C ASP A 30 152.079 2.386 2.665 1.00 0.00 C ATOM 456 O ASP A 30 152.848 2.990 1.918 1.00 0.00 O ATOM 457 CB ASP A 30 152.646 2.816 5.071 1.00 0.00 C ATOM 458 CG ASP A 30 152.179 2.279 6.410 1.00 0.00 C ATOM 459 OD1 ASP A 30 152.893 1.436 6.993 1.00 0.00 O ATOM 460 OD2 ASP A 30 151.100 2.701 6.875 1.00 0.00 O ATOM 0 H ASP A 30 154.623 1.512 4.401 1.00 0.00 H new ATOM 0 HA ASP A 30 151.881 0.977 4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 30 153.669 3.180 5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 30 152.029 3.669 4.789 1.00 0.00 H new ATOM 465 N PRO A 31 150.768 2.251 2.378 1.00 0.00 N ATOM 466 CA PRO A 31 150.153 2.801 1.165 1.00 0.00 C ATOM 467 C PRO A 31 150.527 4.261 0.922 1.00 0.00 C ATOM 468 O PRO A 31 151.028 4.610 -0.146 1.00 0.00 O ATOM 469 CB PRO A 31 148.641 2.670 1.422 1.00 0.00 C ATOM 470 CG PRO A 31 148.502 2.252 2.849 1.00 0.00 C ATOM 471 CD PRO A 31 149.780 1.553 3.208 1.00 0.00 C ATOM 0 HA PRO A 31 150.492 2.272 0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.131 3.616 1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 31 148.194 1.934 0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 31 148.337 3.116 3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 31 147.646 1.589 2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 31 150.007 1.642 4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 31 149.738 0.488 2.980 1.00 0.00 H new ATOM 479 N ALA A 32 150.284 5.111 1.915 1.00 0.00 N ATOM 480 CA ALA A 32 150.602 6.532 1.798 1.00 0.00 C ATOM 481 C ALA A 32 152.032 6.728 1.308 1.00 0.00 C ATOM 482 O ALA A 32 152.308 7.590 0.473 1.00 0.00 O ATOM 483 CB ALA A 32 150.401 7.230 3.134 1.00 0.00 C ATOM 0 H ALA A 32 149.869 4.843 2.807 1.00 0.00 H new ATOM 0 HA ALA A 32 149.926 6.974 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 32 150.642 8.288 3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 32 149.363 7.123 3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 32 151.054 6.780 3.882 1.00 0.00 H new ATOM 489 N ASP A 33 152.933 5.907 1.832 1.00 0.00 N ATOM 490 CA ASP A 33 154.336 5.973 1.449 1.00 0.00 C ATOM 491 C ASP A 33 154.508 5.549 -0.008 1.00 0.00 C ATOM 492 O ASP A 33 155.421 6.008 -0.694 1.00 0.00 O ATOM 493 CB ASP A 33 155.196 5.103 2.370 1.00 0.00 C ATOM 494 CG ASP A 33 155.736 5.878 3.556 1.00 0.00 C ATOM 495 OD1 ASP A 33 156.428 6.894 3.336 1.00 0.00 O ATOM 496 OD2 ASP A 33 155.467 5.469 4.705 1.00 0.00 O ATOM 0 H ASP A 33 152.717 5.188 2.523 1.00 0.00 H new ATOM 0 HA ASP A 33 154.671 7.005 1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 33 154.603 4.261 2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 33 156.028 4.688 1.801 1.00 0.00 H new ATOM 501 N ILE A 34 153.614 4.679 -0.479 1.00 0.00 N ATOM 502 CA ILE A 34 153.662 4.209 -1.860 1.00 0.00 C ATOM 503 C ILE A 34 153.375 5.355 -2.825 1.00 0.00 C ATOM 504 O ILE A 34 154.137 5.602 -3.758 1.00 0.00 O ATOM 505 CB ILE A 34 152.649 3.069 -2.114 1.00 0.00 C ATOM 506 CG1 ILE A 34 152.930 1.892 -1.178 1.00 0.00 C ATOM 507 CG2 ILE A 34 152.702 2.623 -3.569 1.00 0.00 C ATOM 508 CD1 ILE A 34 152.010 0.707 -1.387 1.00 0.00 C ATOM 0 H ILE A 34 152.852 4.288 0.074 1.00 0.00 H new ATOM 0 HA ILE A 34 154.667 3.824 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 34 151.646 3.442 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 34 153.961 1.568 -1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 34 152.840 2.232 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 34 151.983 1.820 -3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 34 152.457 3.465 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 34 153.704 2.264 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 34 152.273 -0.086 -0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 34 150.978 1.013 -1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 34 152.117 0.339 -2.408 1.00 0.00 H new ATOM 520 N LEU A 35 152.265 6.048 -2.591 1.00 0.00 N ATOM 521 CA LEU A 35 151.866 7.168 -3.436 1.00 0.00 C ATOM 522 C LEU A 35 152.966 8.224 -3.511 1.00 0.00 C ATOM 523 O LEU A 35 153.412 8.588 -4.597 1.00 0.00 O ATOM 524 CB LEU A 35 150.576 7.798 -2.906 1.00 0.00 C ATOM 525 CG LEU A 35 150.072 9.007 -3.701 1.00 0.00 C ATOM 526 CD1 LEU A 35 148.831 8.642 -4.502 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.783 10.175 -2.770 1.00 0.00 C ATOM 0 H LEU A 35 151.625 5.853 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 35 151.693 6.783 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.795 7.037 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.737 8.103 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 35 150.853 9.309 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 35 148.488 9.514 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 35 149.070 7.837 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 35 148.044 8.313 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 35 149.426 11.025 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 35 149.020 9.884 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.695 10.454 -2.242 1.00 0.00 H new ATOM 539 N LEU A 36 153.395 8.716 -2.353 1.00 0.00 N ATOM 540 CA LEU A 36 154.442 9.736 -2.292 1.00 0.00 C ATOM 541 C LEU A 36 155.655 9.342 -3.135 1.00 0.00 C ATOM 542 O LEU A 36 156.258 10.179 -3.805 1.00 0.00 O ATOM 543 CB LEU A 36 154.868 9.966 -0.841 1.00 0.00 C ATOM 544 CG LEU A 36 155.144 11.424 -0.469 1.00 0.00 C ATOM 545 CD1 LEU A 36 155.672 11.520 0.954 1.00 0.00 C ATOM 546 CD2 LEU A 36 156.127 12.048 -1.448 1.00 0.00 C ATOM 0 H LEU A 36 153.035 8.427 -1.443 1.00 0.00 H new ATOM 0 HA LEU A 36 154.033 10.660 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 36 154.088 9.581 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.767 9.381 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 36 154.207 11.977 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 36 155.863 12.564 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 36 154.933 11.112 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 36 156.599 10.952 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 36 156.311 13.085 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 36 157.065 11.494 -1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 36 155.710 12.013 -2.454 1.00 0.00 H new ATOM 558 N PHE A 37 156.001 8.062 -3.094 1.00 0.00 N ATOM 559 CA PHE A 37 157.136 7.546 -3.851 1.00 0.00 C ATOM 560 C PHE A 37 156.760 7.292 -5.313 1.00 0.00 C ATOM 561 O PHE A 37 157.570 7.496 -6.214 1.00 0.00 O ATOM 562 CB PHE A 37 157.660 6.258 -3.194 1.00 0.00 C ATOM 563 CG PHE A 37 158.237 5.254 -4.159 1.00 0.00 C ATOM 564 CD1 PHE A 37 159.208 5.629 -5.074 1.00 0.00 C ATOM 565 CD2 PHE A 37 157.803 3.938 -4.150 1.00 0.00 C ATOM 566 CE1 PHE A 37 159.735 4.709 -5.961 1.00 0.00 C ATOM 567 CE2 PHE A 37 158.327 3.014 -5.034 1.00 0.00 C ATOM 568 CZ PHE A 37 159.294 3.401 -5.941 1.00 0.00 C ATOM 0 H PHE A 37 155.510 7.359 -2.542 1.00 0.00 H new ATOM 0 HA PHE A 37 157.926 8.297 -3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 37 158.425 6.523 -2.464 1.00 0.00 H new ATOM 0 HB3 PHE A 37 156.845 5.788 -2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.557 6.651 -5.094 1.00 0.00 H new ATOM 0 HD2 PHE A 37 157.046 3.631 -3.444 1.00 0.00 H new ATOM 0 HE1 PHE A 37 160.491 5.013 -6.669 1.00 0.00 H new ATOM 0 HE2 PHE A 37 157.981 1.991 -5.016 1.00 0.00 H new ATOM 0 HZ PHE A 37 159.705 2.681 -6.634 1.00 0.00 H new ATOM 578 N ASN A 38 155.537 6.828 -5.539 1.00 0.00 N ATOM 579 CA ASN A 38 155.074 6.526 -6.892 1.00 0.00 C ATOM 580 C ASN A 38 154.676 7.787 -7.656 1.00 0.00 C ATOM 581 O ASN A 38 154.673 7.798 -8.887 1.00 0.00 O ATOM 582 CB ASN A 38 153.891 5.557 -6.839 1.00 0.00 C ATOM 583 CG ASN A 38 154.318 4.116 -7.032 1.00 0.00 C ATOM 584 OD1 ASN A 38 155.365 3.695 -6.540 1.00 0.00 O ATOM 585 ND2 ASN A 38 153.507 3.350 -7.753 1.00 0.00 N ATOM 0 H ASN A 38 154.848 6.652 -4.807 1.00 0.00 H new ATOM 0 HA ASN A 38 155.905 6.064 -7.425 1.00 0.00 H new ATOM 0 HB2 ASN A 38 153.384 5.658 -5.879 1.00 0.00 H new ATOM 0 HB3 ASN A 38 153.169 5.826 -7.610 1.00 0.00 H new ATOM 0 HD21 ASN A 38 153.742 2.371 -7.918 1.00 0.00 H new ATOM 0 HD22 ASN A 38 152.649 3.741 -8.142 1.00 0.00 H new ATOM 592 N LEU A 39 154.329 8.841 -6.928 1.00 0.00 N ATOM 593 CA LEU A 39 153.917 10.090 -7.547 1.00 0.00 C ATOM 594 C LEU A 39 155.116 10.981 -7.874 1.00 0.00 C ATOM 595 O LEU A 39 155.062 11.785 -8.804 1.00 0.00 O ATOM 596 CB LEU A 39 152.939 10.809 -6.625 1.00 0.00 C ATOM 597 CG LEU A 39 153.571 11.822 -5.685 1.00 0.00 C ATOM 598 CD1 LEU A 39 153.652 13.166 -6.378 1.00 0.00 C ATOM 599 CD2 LEU A 39 152.780 11.904 -4.393 1.00 0.00 C ATOM 0 H LEU A 39 154.325 8.854 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 39 153.424 9.864 -8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 39 152.194 11.318 -7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 39 152.409 10.065 -6.030 1.00 0.00 H new ATOM 0 HG LEU A 39 154.582 11.507 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 39 154.105 13.895 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 39 154.260 13.075 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 39 152.649 13.497 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 39 153.243 12.633 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 39 151.757 12.211 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 39 152.771 10.927 -3.910 1.00 0.00 H new ATOM 611 N GLN A 40 156.197 10.838 -7.111 1.00 0.00 N ATOM 612 CA GLN A 40 157.393 11.641 -7.344 1.00 0.00 C ATOM 613 C GLN A 40 158.664 10.898 -6.936 1.00 0.00 C ATOM 614 O GLN A 40 159.066 10.920 -5.774 1.00 0.00 O ATOM 615 CB GLN A 40 157.298 12.975 -6.597 1.00 0.00 C ATOM 616 CG GLN A 40 157.131 12.834 -5.094 1.00 0.00 C ATOM 617 CD GLN A 40 156.698 14.133 -4.435 1.00 0.00 C ATOM 618 OE1 GLN A 40 156.056 14.973 -5.065 1.00 0.00 O ATOM 619 NE2 GLN A 40 157.047 14.309 -3.164 1.00 0.00 N ATOM 0 H GLN A 40 156.269 10.181 -6.334 1.00 0.00 H new ATOM 0 HA GLN A 40 157.451 11.835 -8.415 1.00 0.00 H new ATOM 0 HB2 GLN A 40 158.197 13.557 -6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 40 156.456 13.542 -6.994 1.00 0.00 H new ATOM 0 HG2 GLN A 40 156.393 12.060 -4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 40 158.073 12.504 -4.656 1.00 0.00 H new ATOM 0 HE21 GLN A 40 157.579 13.588 -2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 40 156.782 15.165 -2.676 1.00 0.00 H new ATOM 628 N PHE A 41 159.299 10.257 -7.913 1.00 0.00 N ATOM 629 CA PHE A 41 160.539 9.519 -7.681 1.00 0.00 C ATOM 630 C PHE A 41 161.588 9.913 -8.716 1.00 0.00 C ATOM 631 O PHE A 41 162.765 10.072 -8.398 1.00 0.00 O ATOM 632 CB PHE A 41 160.295 8.011 -7.745 1.00 0.00 C ATOM 633 CG PHE A 41 161.474 7.197 -7.290 1.00 0.00 C ATOM 634 CD1 PHE A 41 161.989 7.354 -6.013 1.00 0.00 C ATOM 635 CD2 PHE A 41 162.066 6.276 -8.139 1.00 0.00 C ATOM 636 CE1 PHE A 41 163.072 6.607 -5.591 1.00 0.00 C ATOM 637 CE2 PHE A 41 163.150 5.526 -7.723 1.00 0.00 C ATOM 638 CZ PHE A 41 163.654 5.692 -6.447 1.00 0.00 C ATOM 0 H PHE A 41 158.973 10.233 -8.879 1.00 0.00 H new ATOM 0 HA PHE A 41 160.902 9.772 -6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 41 159.432 7.763 -7.128 1.00 0.00 H new ATOM 0 HB3 PHE A 41 160.045 7.734 -8.769 1.00 0.00 H new ATOM 0 HD1 PHE A 41 161.539 8.069 -5.340 1.00 0.00 H new ATOM 0 HD2 PHE A 41 161.676 6.143 -9.137 1.00 0.00 H new ATOM 0 HE1 PHE A 41 163.463 6.738 -4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 41 163.603 4.811 -8.394 1.00 0.00 H new ATOM 0 HZ PHE A 41 164.501 5.108 -6.120 1.00 0.00 H new ATOM 648 N GLU A 42 161.140 10.076 -9.957 1.00 0.00 N ATOM 649 CA GLU A 42 162.025 10.460 -11.051 1.00 0.00 C ATOM 650 C GLU A 42 162.810 11.723 -10.700 1.00 0.00 C ATOM 651 O GLU A 42 164.026 11.678 -10.517 1.00 0.00 O ATOM 652 CB GLU A 42 161.226 10.681 -12.339 1.00 0.00 C ATOM 653 CG GLU A 42 159.890 11.381 -12.134 1.00 0.00 C ATOM 654 CD GLU A 42 158.723 10.591 -12.693 1.00 0.00 C ATOM 655 OE1 GLU A 42 158.822 9.348 -12.755 1.00 0.00 O ATOM 656 OE2 GLU A 42 157.709 11.216 -13.069 1.00 0.00 O ATOM 0 H GLU A 42 160.166 9.948 -10.231 1.00 0.00 H new ATOM 0 HA GLU A 42 162.732 9.646 -11.211 1.00 0.00 H new ATOM 0 HB2 GLU A 42 161.829 11.269 -13.031 1.00 0.00 H new ATOM 0 HB3 GLU A 42 161.048 9.716 -12.813 1.00 0.00 H new ATOM 0 HG2 GLU A 42 159.732 11.549 -11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 42 159.921 12.361 -12.610 1.00 0.00 H new ATOM 663 N GLU A 43 162.106 12.846 -10.611 1.00 0.00 N ATOM 664 CA GLU A 43 162.733 14.120 -10.287 1.00 0.00 C ATOM 665 C GLU A 43 163.365 14.086 -8.897 1.00 0.00 C ATOM 666 O GLU A 43 164.452 14.624 -8.689 1.00 0.00 O ATOM 667 CB GLU A 43 161.708 15.252 -10.365 1.00 0.00 C ATOM 668 CG GLU A 43 162.291 16.567 -10.859 1.00 0.00 C ATOM 669 CD GLU A 43 162.517 16.579 -12.358 1.00 0.00 C ATOM 670 OE1 GLU A 43 161.569 16.914 -13.099 1.00 0.00 O ATOM 671 OE2 GLU A 43 163.642 16.253 -12.791 1.00 0.00 O ATOM 0 H GLU A 43 161.098 12.899 -10.759 1.00 0.00 H new ATOM 0 HA GLU A 43 163.522 14.300 -11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 43 160.897 14.952 -11.028 1.00 0.00 H new ATOM 0 HB3 GLU A 43 161.272 15.405 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 43 161.619 17.382 -10.590 1.00 0.00 H new ATOM 0 HG3 GLU A 43 163.237 16.754 -10.351 1.00 0.00 H new ATOM 678 N ARG A 44 162.679 13.453 -7.947 1.00 0.00 N ATOM 679 CA ARG A 44 163.182 13.357 -6.583 1.00 0.00 C ATOM 680 C ARG A 44 163.537 11.915 -6.236 1.00 0.00 C ATOM 681 O ARG A 44 162.957 11.324 -5.327 1.00 0.00 O ATOM 682 CB ARG A 44 162.143 13.893 -5.595 1.00 0.00 C ATOM 683 CG ARG A 44 161.768 15.347 -5.833 1.00 0.00 C ATOM 684 CD ARG A 44 160.416 15.470 -6.519 1.00 0.00 C ATOM 685 NE ARG A 44 159.875 16.824 -6.424 1.00 0.00 N ATOM 686 CZ ARG A 44 160.356 17.864 -7.101 1.00 0.00 C ATOM 687 NH1 ARG A 44 161.389 17.712 -7.920 1.00 0.00 N ATOM 688 NH2 ARG A 44 159.804 19.061 -6.957 1.00 0.00 N ATOM 0 H ARG A 44 161.777 13.001 -8.098 1.00 0.00 H new ATOM 0 HA ARG A 44 164.086 13.962 -6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 44 161.244 13.280 -5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 44 162.530 13.788 -4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 44 161.744 15.878 -4.881 1.00 0.00 H new ATOM 0 HG3 ARG A 44 162.532 15.825 -6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 44 160.515 15.192 -7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 44 159.715 14.767 -6.068 1.00 0.00 H new ATOM 0 HE ARG A 44 159.082 16.981 -5.802 1.00 0.00 H new ATOM 0 HH11 ARG A 44 161.819 16.794 -8.034 1.00 0.00 H new ATOM 0 HH12 ARG A 44 161.753 18.513 -8.436 1.00 0.00 H new ATOM 0 HH21 ARG A 44 159.011 19.185 -6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 44 160.172 19.858 -7.476 1.00 0.00 H new ATOM 702 N GLY A 45 164.497 11.354 -6.964 1.00 0.00 N ATOM 703 CA GLY A 45 164.913 9.987 -6.713 1.00 0.00 C ATOM 704 C GLY A 45 166.270 9.916 -6.046 1.00 0.00 C ATOM 705 O GLY A 45 167.208 10.597 -6.462 1.00 0.00 O ATOM 0 H GLY A 45 164.994 11.821 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 45 164.174 9.494 -6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 45 164.944 9.440 -7.655 1.00 0.00 H new ATOM 709 N GLY A 46 166.378 9.096 -5.007 1.00 0.00 N ATOM 710 CA GLY A 46 167.638 8.967 -4.303 1.00 0.00 C ATOM 711 C GLY A 46 167.834 7.595 -3.690 1.00 0.00 C ATOM 712 O GLY A 46 166.889 6.989 -3.185 1.00 0.00 O ATOM 0 H GLY A 46 165.619 8.521 -4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 46 168.456 9.171 -4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 46 167.688 9.721 -3.517 1.00 0.00 H new ATOM 716 N VAL A 47 169.070 7.113 -3.728 1.00 0.00 N ATOM 717 CA VAL A 47 169.415 5.813 -3.169 1.00 0.00 C ATOM 718 C VAL A 47 170.825 5.858 -2.594 1.00 0.00 C ATOM 719 O VAL A 47 171.785 5.439 -3.240 1.00 0.00 O ATOM 720 CB VAL A 47 169.331 4.699 -4.229 1.00 0.00 C ATOM 721 CG1 VAL A 47 169.572 3.337 -3.596 1.00 0.00 C ATOM 722 CG2 VAL A 47 167.984 4.736 -4.935 1.00 0.00 C ATOM 0 H VAL A 47 169.857 7.610 -4.145 1.00 0.00 H new ATOM 0 HA VAL A 47 168.696 5.588 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 47 170.111 4.870 -4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 47 169.508 2.564 -4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 47 170.563 3.317 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 47 168.818 3.153 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 47 167.942 3.942 -5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 47 167.187 4.591 -4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 47 167.857 5.701 -5.425 1.00 0.00 H new ATOM 732 N GLU A 48 170.942 6.393 -1.383 1.00 0.00 N ATOM 733 CA GLU A 48 172.236 6.524 -0.725 1.00 0.00 C ATOM 734 C GLU A 48 172.720 5.195 -0.158 1.00 0.00 C ATOM 735 O GLU A 48 171.942 4.418 0.394 1.00 0.00 O ATOM 736 CB GLU A 48 172.159 7.567 0.391 1.00 0.00 C ATOM 737 CG GLU A 48 171.256 7.160 1.544 1.00 0.00 C ATOM 738 CD GLU A 48 171.470 8.012 2.779 1.00 0.00 C ATOM 739 OE1 GLU A 48 171.763 9.217 2.627 1.00 0.00 O ATOM 740 OE2 GLU A 48 171.345 7.474 3.900 1.00 0.00 O ATOM 0 H GLU A 48 170.155 6.743 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 48 172.954 6.848 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 48 173.163 7.751 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 48 171.799 8.508 -0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 48 170.215 7.236 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 48 171.438 6.114 1.792 1.00 0.00 H new ATOM 747 N PHE A 49 174.020 4.952 -0.292 1.00 0.00 N ATOM 748 CA PHE A 49 174.629 3.729 0.212 1.00 0.00 C ATOM 749 C PHE A 49 175.380 4.007 1.509 1.00 0.00 C ATOM 750 O PHE A 49 176.574 4.308 1.495 1.00 0.00 O ATOM 751 CB PHE A 49 175.584 3.143 -0.829 1.00 0.00 C ATOM 752 CG PHE A 49 176.200 1.839 -0.411 1.00 0.00 C ATOM 753 CD1 PHE A 49 175.441 0.679 -0.377 1.00 0.00 C ATOM 754 CD2 PHE A 49 177.536 1.772 -0.052 1.00 0.00 C ATOM 755 CE1 PHE A 49 176.005 -0.522 0.007 1.00 0.00 C ATOM 756 CE2 PHE A 49 178.105 0.574 0.334 1.00 0.00 C ATOM 757 CZ PHE A 49 177.339 -0.575 0.363 1.00 0.00 C ATOM 0 H PHE A 49 174.673 5.590 -0.747 1.00 0.00 H new ATOM 0 HA PHE A 49 173.838 3.006 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 49 175.044 2.997 -1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.378 3.863 -1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 49 174.398 0.715 -0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 49 178.140 2.667 -0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 49 175.404 -1.419 0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 49 179.148 0.536 0.613 1.00 0.00 H new ATOM 0 HZ PHE A 49 177.782 -1.513 0.663 1.00 0.00 H new ATOM 767 N VAL A 50 174.672 3.910 2.629 1.00 0.00 N ATOM 768 CA VAL A 50 175.275 4.158 3.934 1.00 0.00 C ATOM 769 C VAL A 50 175.860 2.880 4.521 1.00 0.00 C ATOM 770 O VAL A 50 175.701 1.795 3.962 1.00 0.00 O ATOM 771 CB VAL A 50 174.259 4.747 4.936 1.00 0.00 C ATOM 772 CG1 VAL A 50 174.105 6.244 4.728 1.00 0.00 C ATOM 773 CG2 VAL A 50 172.914 4.046 4.821 1.00 0.00 C ATOM 0 H VAL A 50 173.683 3.662 2.660 1.00 0.00 H new ATOM 0 HA VAL A 50 176.071 4.885 3.772 1.00 0.00 H new ATOM 0 HB VAL A 50 174.642 4.580 5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 50 173.385 6.639 5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 50 175.068 6.733 4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 50 173.752 6.436 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 50 172.216 4.479 5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 50 172.523 4.172 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.038 2.984 5.032 1.00 0.00 H new ATOM 783 N GLU A 51 176.540 3.018 5.653 1.00 0.00 N ATOM 784 CA GLU A 51 177.153 1.879 6.321 1.00 0.00 C ATOM 785 C GLU A 51 176.295 1.413 7.491 1.00 0.00 C ATOM 786 O GLU A 51 175.284 2.034 7.818 1.00 0.00 O ATOM 787 CB GLU A 51 178.553 2.250 6.812 1.00 0.00 C ATOM 788 CG GLU A 51 178.555 3.277 7.935 1.00 0.00 C ATOM 789 CD GLU A 51 179.506 4.428 7.673 1.00 0.00 C ATOM 790 OE1 GLU A 51 179.262 5.194 6.717 1.00 0.00 O ATOM 791 OE2 GLU A 51 180.495 4.564 8.424 1.00 0.00 O ATOM 0 H GLU A 51 176.680 3.910 6.127 1.00 0.00 H new ATOM 0 HA GLU A 51 177.231 1.061 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 51 179.059 1.348 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 51 179.131 2.640 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 51 177.546 3.668 8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 51 178.832 2.788 8.869 1.00 0.00 H new ATOM 798 N THR A 52 176.706 0.320 8.122 1.00 0.00 N ATOM 799 CA THR A 52 175.975 -0.223 9.259 1.00 0.00 C ATOM 800 C THR A 52 175.910 0.795 10.392 1.00 0.00 C ATOM 801 O THR A 52 176.774 1.664 10.510 1.00 0.00 O ATOM 802 CB THR A 52 176.636 -1.511 9.750 1.00 0.00 C ATOM 803 OG1 THR A 52 176.919 -2.375 8.664 1.00 0.00 O ATOM 804 CG2 THR A 52 175.788 -2.281 10.739 1.00 0.00 C ATOM 0 H THR A 52 177.541 -0.207 7.866 1.00 0.00 H new ATOM 0 HA THR A 52 174.959 -0.449 8.936 1.00 0.00 H new ATOM 0 HB THR A 52 177.550 -1.192 10.251 1.00 0.00 H new ATOM 0 HG1 THR A 52 177.037 -3.290 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.317 -3.183 11.046 1.00 0.00 H new ATOM 0 HG22 THR A 52 175.593 -1.659 11.613 1.00 0.00 H new ATOM 0 HG23 THR A 52 174.843 -2.556 10.271 1.00 0.00 H new ATOM 812 N ALA A 53 174.885 0.677 11.226 1.00 0.00 N ATOM 813 CA ALA A 53 174.711 1.580 12.355 1.00 0.00 C ATOM 814 C ALA A 53 175.701 1.239 13.467 1.00 0.00 C ATOM 815 O ALA A 53 176.800 0.756 13.197 1.00 0.00 O ATOM 816 CB ALA A 53 173.276 1.513 12.860 1.00 0.00 C ATOM 0 H ALA A 53 174.161 -0.036 11.141 1.00 0.00 H new ATOM 0 HA ALA A 53 174.912 2.600 12.028 1.00 0.00 H new ATOM 0 HB1 ALA A 53 173.155 2.192 13.704 1.00 0.00 H new ATOM 0 HB2 ALA A 53 172.595 1.804 12.060 1.00 0.00 H new ATOM 0 HB3 ALA A 53 173.049 0.495 13.177 1.00 0.00 H new ATOM 822 N ASP A 54 175.311 1.479 14.716 1.00 0.00 N ATOM 823 CA ASP A 54 176.174 1.179 15.847 1.00 0.00 C ATOM 824 C ASP A 54 175.942 -0.250 16.321 1.00 0.00 C ATOM 825 O ASP A 54 176.881 -0.951 16.702 1.00 0.00 O ATOM 826 CB ASP A 54 175.916 2.164 16.991 1.00 0.00 C ATOM 827 CG ASP A 54 177.181 2.864 17.447 1.00 0.00 C ATOM 828 OD1 ASP A 54 177.854 3.488 16.599 1.00 0.00 O ATOM 829 OD2 ASP A 54 177.500 2.788 18.652 1.00 0.00 O ATOM 0 H ASP A 54 174.407 1.879 14.967 1.00 0.00 H new ATOM 0 HA ASP A 54 177.212 1.280 15.529 1.00 0.00 H new ATOM 0 HB2 ASP A 54 175.188 2.908 16.669 1.00 0.00 H new ATOM 0 HB3 ASP A 54 175.475 1.631 17.833 1.00 0.00 H new ATOM 834 N ASP A 55 174.683 -0.677 16.295 1.00 0.00 N ATOM 835 CA ASP A 55 174.322 -2.025 16.720 1.00 0.00 C ATOM 836 C ASP A 55 173.075 -2.521 15.988 1.00 0.00 C ATOM 837 O ASP A 55 172.960 -3.706 15.676 1.00 0.00 O ATOM 838 CB ASP A 55 174.086 -2.057 18.231 1.00 0.00 C ATOM 839 CG ASP A 55 173.041 -1.053 18.675 1.00 0.00 C ATOM 840 OD1 ASP A 55 171.845 -1.412 18.699 1.00 0.00 O ATOM 841 OD2 ASP A 55 173.418 0.093 18.998 1.00 0.00 O ATOM 0 H ASP A 55 173.895 -0.108 15.984 1.00 0.00 H new ATOM 0 HA ASP A 55 175.150 -2.688 16.471 1.00 0.00 H new ATOM 0 HB2 ASP A 55 173.772 -3.058 18.526 1.00 0.00 H new ATOM 0 HB3 ASP A 55 175.024 -1.853 18.747 1.00 0.00 H new ATOM 846 N TRP A 56 172.140 -1.606 15.721 1.00 0.00 N ATOM 847 CA TRP A 56 170.897 -1.940 15.029 1.00 0.00 C ATOM 848 C TRP A 56 169.964 -2.772 15.914 1.00 0.00 C ATOM 849 O TRP A 56 168.890 -3.183 15.475 1.00 0.00 O ATOM 850 CB TRP A 56 171.191 -2.694 13.729 1.00 0.00 C ATOM 851 CG TRP A 56 171.078 -1.847 12.496 1.00 0.00 C ATOM 852 CD1 TRP A 56 172.099 -1.235 11.831 1.00 0.00 C ATOM 853 CD2 TRP A 56 169.880 -1.527 11.774 1.00 0.00 C ATOM 854 NE1 TRP A 56 171.613 -0.554 10.740 1.00 0.00 N ATOM 855 CE2 TRP A 56 170.254 -0.719 10.684 1.00 0.00 C ATOM 856 CE3 TRP A 56 168.530 -1.846 11.943 1.00 0.00 C ATOM 857 CZ2 TRP A 56 169.325 -0.227 9.767 1.00 0.00 C ATOM 858 CZ3 TRP A 56 167.610 -1.357 11.032 1.00 0.00 C ATOM 859 CH2 TRP A 56 168.011 -0.557 9.956 1.00 0.00 C ATOM 0 H TRP A 56 172.223 -0.622 15.976 1.00 0.00 H new ATOM 0 HA TRP A 56 170.393 -1.002 14.794 1.00 0.00 H new ATOM 0 HB2 TRP A 56 172.197 -3.110 13.781 1.00 0.00 H new ATOM 0 HB3 TRP A 56 170.503 -3.535 13.645 1.00 0.00 H new ATOM 0 HD1 TRP A 56 173.139 -1.279 12.120 1.00 0.00 H new ATOM 0 HE1 TRP A 56 172.173 -0.014 10.080 1.00 0.00 H new ATOM 0 HE3 TRP A 56 168.210 -2.463 12.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 169.632 0.392 8.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 166.564 -1.597 11.154 1.00 0.00 H new ATOM 0 HH2 TRP A 56 167.269 -0.193 9.261 1.00 0.00 H new ATOM 870 N GLU A 57 170.376 -3.024 17.156 1.00 0.00 N ATOM 871 CA GLU A 57 169.569 -3.812 18.083 1.00 0.00 C ATOM 872 C GLU A 57 168.385 -3.002 18.607 1.00 0.00 C ATOM 873 O GLU A 57 168.249 -2.789 19.812 1.00 0.00 O ATOM 874 CB GLU A 57 170.429 -4.298 19.251 1.00 0.00 C ATOM 875 CG GLU A 57 171.512 -5.282 18.841 1.00 0.00 C ATOM 876 CD GLU A 57 172.351 -5.748 20.015 1.00 0.00 C ATOM 877 OE1 GLU A 57 171.946 -6.721 20.685 1.00 0.00 O ATOM 878 OE2 GLU A 57 173.413 -5.139 20.264 1.00 0.00 O ATOM 0 H GLU A 57 171.261 -2.695 17.541 1.00 0.00 H new ATOM 0 HA GLU A 57 169.180 -4.675 17.542 1.00 0.00 H new ATOM 0 HB2 GLU A 57 170.895 -3.437 19.731 1.00 0.00 H new ATOM 0 HB3 GLU A 57 169.785 -4.768 19.994 1.00 0.00 H new ATOM 0 HG2 GLU A 57 171.051 -6.146 18.363 1.00 0.00 H new ATOM 0 HG3 GLU A 57 172.160 -4.815 18.099 1.00 0.00 H new ATOM 885 N GLU A 58 167.531 -2.551 17.693 1.00 0.00 N ATOM 886 CA GLU A 58 166.362 -1.765 18.059 1.00 0.00 C ATOM 887 C GLU A 58 165.324 -1.785 16.941 1.00 0.00 C ATOM 888 O GLU A 58 164.145 -2.049 17.177 1.00 0.00 O ATOM 889 CB GLU A 58 166.781 -0.327 18.356 1.00 0.00 C ATOM 890 CG GLU A 58 166.999 -0.047 19.834 1.00 0.00 C ATOM 891 CD GLU A 58 165.901 0.807 20.435 1.00 0.00 C ATOM 892 OE1 GLU A 58 164.801 0.270 20.686 1.00 0.00 O ATOM 893 OE2 GLU A 58 166.139 2.013 20.655 1.00 0.00 O ATOM 0 H GLU A 58 167.629 -2.718 16.692 1.00 0.00 H new ATOM 0 HA GLU A 58 165.914 -2.204 18.950 1.00 0.00 H new ATOM 0 HB2 GLU A 58 167.701 -0.107 17.814 1.00 0.00 H new ATOM 0 HB3 GLU A 58 166.017 0.351 17.976 1.00 0.00 H new ATOM 0 HG2 GLU A 58 167.056 -0.992 20.374 1.00 0.00 H new ATOM 0 HG3 GLU A 58 167.958 0.454 19.967 1.00 0.00 H new ATOM 900 N GLU A 59 165.774 -1.498 15.723 1.00 0.00 N ATOM 901 CA GLU A 59 164.890 -1.475 14.564 1.00 0.00 C ATOM 902 C GLU A 59 164.542 -2.888 14.103 1.00 0.00 C ATOM 903 O GLU A 59 163.422 -3.357 14.303 1.00 0.00 O ATOM 904 CB GLU A 59 165.544 -0.701 13.418 1.00 0.00 C ATOM 905 CG GLU A 59 165.709 0.783 13.702 1.00 0.00 C ATOM 906 CD GLU A 59 164.526 1.603 13.227 1.00 0.00 C ATOM 907 OE1 GLU A 59 163.391 1.316 13.664 1.00 0.00 O ATOM 908 OE2 GLU A 59 164.733 2.532 12.418 1.00 0.00 O ATOM 0 H GLU A 59 166.748 -1.278 15.514 1.00 0.00 H new ATOM 0 HA GLU A 59 163.966 -0.976 14.858 1.00 0.00 H new ATOM 0 HB2 GLU A 59 166.523 -1.134 13.210 1.00 0.00 H new ATOM 0 HB3 GLU A 59 164.943 -0.825 12.517 1.00 0.00 H new ATOM 0 HG2 GLU A 59 165.842 0.931 14.774 1.00 0.00 H new ATOM 0 HG3 GLU A 59 166.615 1.144 13.215 1.00 0.00 H new ATOM 915 N ILE A 60 165.507 -3.561 13.482 1.00 0.00 N ATOM 916 CA ILE A 60 165.295 -4.918 12.991 1.00 0.00 C ATOM 917 C ILE A 60 165.297 -5.928 14.135 1.00 0.00 C ATOM 918 O ILE A 60 164.563 -6.916 14.105 1.00 0.00 O ATOM 919 CB ILE A 60 166.369 -5.320 11.958 1.00 0.00 C ATOM 920 CG1 ILE A 60 167.760 -5.301 12.594 1.00 0.00 C ATOM 921 CG2 ILE A 60 166.319 -4.393 10.752 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.847 -5.835 11.686 1.00 0.00 C ATOM 0 H ILE A 60 166.441 -3.189 13.308 1.00 0.00 H new ATOM 0 HA ILE A 60 164.318 -4.927 12.508 1.00 0.00 H new ATOM 0 HB ILE A 60 166.161 -6.336 11.621 1.00 0.00 H new ATOM 0 HG12 ILE A 60 168.006 -4.278 12.880 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.740 -5.892 13.510 1.00 0.00 H new ATOM 0 HG21 ILE A 60 167.083 -4.690 10.033 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.336 -4.457 10.285 1.00 0.00 H new ATOM 0 HG23 ILE A 60 166.502 -3.368 11.073 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.806 -5.792 12.202 1.00 0.00 H new ATOM 0 HD12 ILE A 60 168.624 -6.868 11.421 1.00 0.00 H new ATOM 0 HD13 ILE A 60 168.895 -5.230 10.781 1.00 0.00 H new ATOM 934 N GLY A 61 166.125 -5.673 15.144 1.00 0.00 N ATOM 935 CA GLY A 61 166.203 -6.569 16.284 1.00 0.00 C ATOM 936 C GLY A 61 167.101 -7.765 16.029 1.00 0.00 C ATOM 937 O GLY A 61 166.619 -8.860 15.745 1.00 0.00 O ATOM 0 H GLY A 61 166.743 -4.863 15.192 1.00 0.00 H new ATOM 0 HA2 GLY A 61 166.575 -6.019 17.148 1.00 0.00 H new ATOM 0 HA3 GLY A 61 165.202 -6.919 16.535 1.00 0.00 H new ATOM 941 N VAL A 62 168.410 -7.555 16.148 1.00 0.00 N ATOM 942 CA VAL A 62 169.398 -8.617 15.948 1.00 0.00 C ATOM 943 C VAL A 62 170.802 -8.035 15.873 1.00 0.00 C ATOM 944 O VAL A 62 170.995 -6.909 15.416 1.00 0.00 O ATOM 945 CB VAL A 62 169.150 -9.457 14.672 1.00 0.00 C ATOM 946 CG1 VAL A 62 168.430 -10.750 15.019 1.00 0.00 C ATOM 947 CG2 VAL A 62 168.383 -8.668 13.619 1.00 0.00 C ATOM 0 H VAL A 62 168.816 -6.650 16.384 1.00 0.00 H new ATOM 0 HA VAL A 62 169.296 -9.277 16.809 1.00 0.00 H new ATOM 0 HB VAL A 62 170.120 -9.707 14.243 1.00 0.00 H new ATOM 0 HG11 VAL A 62 168.263 -11.329 14.111 1.00 0.00 H new ATOM 0 HG12 VAL A 62 169.038 -11.330 15.713 1.00 0.00 H new ATOM 0 HG13 VAL A 62 167.471 -10.519 15.483 1.00 0.00 H new ATOM 0 HG21 VAL A 62 168.228 -9.291 12.738 1.00 0.00 H new ATOM 0 HG22 VAL A 62 167.417 -8.365 14.023 1.00 0.00 H new ATOM 0 HG23 VAL A 62 168.954 -7.782 13.341 1.00 0.00 H new ATOM 957 N LEU A 63 171.780 -8.810 16.323 1.00 0.00 N ATOM 958 CA LEU A 63 173.169 -8.369 16.305 1.00 0.00 C ATOM 959 C LEU A 63 173.698 -8.312 14.875 1.00 0.00 C ATOM 960 O LEU A 63 173.700 -9.316 14.163 1.00 0.00 O ATOM 961 CB LEU A 63 174.036 -9.307 17.149 1.00 0.00 C ATOM 962 CG LEU A 63 173.910 -9.114 18.663 1.00 0.00 C ATOM 963 CD1 LEU A 63 173.812 -10.458 19.370 1.00 0.00 C ATOM 964 CD2 LEU A 63 175.087 -8.313 19.199 1.00 0.00 C ATOM 0 H LEU A 63 171.638 -9.745 16.704 1.00 0.00 H new ATOM 0 HA LEU A 63 173.215 -7.367 16.731 1.00 0.00 H new ATOM 0 HB2 LEU A 63 173.774 -10.337 16.906 1.00 0.00 H new ATOM 0 HB3 LEU A 63 175.079 -9.167 16.865 1.00 0.00 H new ATOM 0 HG LEU A 63 172.995 -8.556 18.861 1.00 0.00 H new ATOM 0 HD11 LEU A 63 173.723 -10.298 20.445 1.00 0.00 H new ATOM 0 HD12 LEU A 63 172.935 -10.996 19.009 1.00 0.00 H new ATOM 0 HD13 LEU A 63 174.707 -11.044 19.163 1.00 0.00 H new ATOM 0 HD21 LEU A 63 174.980 -8.186 20.276 1.00 0.00 H new ATOM 0 HD22 LEU A 63 176.015 -8.844 18.986 1.00 0.00 H new ATOM 0 HD23 LEU A 63 175.110 -7.335 18.719 1.00 0.00 H new ATOM 976 N ILE A 64 174.142 -7.130 14.460 1.00 0.00 N ATOM 977 CA ILE A 64 174.668 -6.942 13.113 1.00 0.00 C ATOM 978 C ILE A 64 176.082 -6.371 13.146 1.00 0.00 C ATOM 979 O ILE A 64 176.290 -5.225 13.544 1.00 0.00 O ATOM 980 CB ILE A 64 173.770 -6.003 12.286 1.00 0.00 C ATOM 981 CG1 ILE A 64 172.306 -6.431 12.398 1.00 0.00 C ATOM 982 CG2 ILE A 64 174.214 -5.990 10.832 1.00 0.00 C ATOM 983 CD1 ILE A 64 172.035 -7.810 11.839 1.00 0.00 C ATOM 0 H ILE A 64 174.148 -6.289 15.037 1.00 0.00 H new ATOM 0 HA ILE A 64 174.687 -7.925 12.643 1.00 0.00 H new ATOM 0 HB ILE A 64 173.864 -4.992 12.683 1.00 0.00 H new ATOM 0 HG12 ILE A 64 172.008 -6.408 13.446 1.00 0.00 H new ATOM 0 HG13 ILE A 64 171.683 -5.706 11.874 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.570 -5.322 10.261 1.00 0.00 H new ATOM 0 HG22 ILE A 64 175.245 -5.641 10.769 1.00 0.00 H new ATOM 0 HG23 ILE A 64 174.146 -6.998 10.422 1.00 0.00 H new ATOM 0 HD11 ILE A 64 170.977 -8.047 11.952 1.00 0.00 H new ATOM 0 HD12 ILE A 64 172.301 -7.833 10.782 1.00 0.00 H new ATOM 0 HD13 ILE A 64 172.631 -8.545 12.379 1.00 0.00 H new ATOM 995 N ASP A 65 177.049 -7.178 12.722 1.00 0.00 N ATOM 996 CA ASP A 65 178.443 -6.753 12.700 1.00 0.00 C ATOM 997 C ASP A 65 178.650 -5.620 11.696 1.00 0.00 C ATOM 998 O ASP A 65 178.482 -5.814 10.492 1.00 0.00 O ATOM 999 CB ASP A 65 179.349 -7.934 12.344 1.00 0.00 C ATOM 1000 CG ASP A 65 179.737 -8.751 13.561 1.00 0.00 C ATOM 1001 OD1 ASP A 65 180.714 -8.375 14.241 1.00 0.00 O ATOM 1002 OD2 ASP A 65 179.064 -9.767 13.833 1.00 0.00 O ATOM 0 H ASP A 65 176.893 -8.129 12.389 1.00 0.00 H new ATOM 0 HA ASP A 65 178.703 -6.388 13.693 1.00 0.00 H new ATOM 0 HB2 ASP A 65 178.839 -8.576 11.626 1.00 0.00 H new ATOM 0 HB3 ASP A 65 180.250 -7.563 11.856 1.00 0.00 H new ATOM 1007 N PRO A 66 179.020 -4.415 12.171 1.00 0.00 N ATOM 1008 CA PRO A 66 179.247 -3.264 11.292 1.00 0.00 C ATOM 1009 C PRO A 66 180.379 -3.516 10.307 1.00 0.00 C ATOM 1010 O PRO A 66 181.298 -4.284 10.588 1.00 0.00 O ATOM 1011 CB PRO A 66 179.613 -2.129 12.252 1.00 0.00 C ATOM 1012 CG PRO A 66 180.045 -2.806 13.508 1.00 0.00 C ATOM 1013 CD PRO A 66 179.252 -4.079 13.586 1.00 0.00 C ATOM 0 HA PRO A 66 178.372 -3.043 10.680 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.411 -1.509 11.844 1.00 0.00 H new ATOM 0 HB3 PRO A 66 178.761 -1.474 12.431 1.00 0.00 H new ATOM 0 HG2 PRO A 66 181.115 -3.013 13.491 1.00 0.00 H new ATOM 0 HG3 PRO A 66 179.856 -2.175 14.376 1.00 0.00 H new ATOM 0 HD2 PRO A 66 179.802 -4.866 14.102 1.00 0.00 H new ATOM 0 HD3 PRO A 66 178.316 -3.938 14.126 1.00 0.00 H new ATOM 1021 N GLU A 67 180.299 -2.871 9.145 1.00 0.00 N ATOM 1022 CA GLU A 67 181.309 -3.024 8.096 1.00 0.00 C ATOM 1023 C GLU A 67 181.121 -4.338 7.337 1.00 0.00 C ATOM 1024 O GLU A 67 181.449 -4.433 6.154 1.00 0.00 O ATOM 1025 CB GLU A 67 182.723 -2.958 8.683 1.00 0.00 C ATOM 1026 CG GLU A 67 182.924 -1.812 9.662 1.00 0.00 C ATOM 1027 CD GLU A 67 183.986 -2.113 10.701 1.00 0.00 C ATOM 1028 OE1 GLU A 67 185.142 -2.378 10.308 1.00 0.00 O ATOM 1029 OE2 GLU A 67 183.663 -2.084 11.907 1.00 0.00 O ATOM 0 H GLU A 67 179.541 -2.233 8.904 1.00 0.00 H new ATOM 0 HA GLU A 67 181.181 -2.198 7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 67 182.942 -3.899 9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 67 183.441 -2.859 7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 67 183.204 -0.914 9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 67 181.980 -1.598 10.164 1.00 0.00 H new ATOM 1036 N GLU A 68 180.593 -5.349 8.023 1.00 0.00 N ATOM 1037 CA GLU A 68 180.361 -6.653 7.418 1.00 0.00 C ATOM 1038 C GLU A 68 178.996 -6.714 6.730 1.00 0.00 C ATOM 1039 O GLU A 68 178.575 -7.775 6.269 1.00 0.00 O ATOM 1040 CB GLU A 68 180.451 -7.742 8.488 1.00 0.00 C ATOM 1041 CG GLU A 68 181.868 -8.220 8.748 1.00 0.00 C ATOM 1042 CD GLU A 68 181.941 -9.244 9.864 1.00 0.00 C ATOM 1043 OE1 GLU A 68 181.351 -10.334 9.710 1.00 0.00 O ATOM 1044 OE2 GLU A 68 182.587 -8.955 10.893 1.00 0.00 O ATOM 0 H GLU A 68 180.317 -5.287 9.003 1.00 0.00 H new ATOM 0 HA GLU A 68 181.128 -6.816 6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 68 180.028 -7.362 9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 68 179.840 -8.591 8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 68 182.275 -8.654 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 68 182.495 -7.365 9.002 1.00 0.00 H new ATOM 1051 N TYR A 69 178.306 -5.577 6.668 1.00 0.00 N ATOM 1052 CA TYR A 69 176.990 -5.522 6.040 1.00 0.00 C ATOM 1053 C TYR A 69 176.798 -4.225 5.261 1.00 0.00 C ATOM 1054 O TYR A 69 177.381 -3.193 5.593 1.00 0.00 O ATOM 1055 CB TYR A 69 175.895 -5.660 7.097 1.00 0.00 C ATOM 1056 CG TYR A 69 175.690 -7.083 7.566 1.00 0.00 C ATOM 1057 CD1 TYR A 69 174.806 -7.930 6.909 1.00 0.00 C ATOM 1058 CD2 TYR A 69 176.383 -7.580 8.662 1.00 0.00 C ATOM 1059 CE1 TYR A 69 174.618 -9.231 7.332 1.00 0.00 C ATOM 1060 CE2 TYR A 69 176.202 -8.881 9.090 1.00 0.00 C ATOM 1061 CZ TYR A 69 175.318 -9.702 8.423 1.00 0.00 C ATOM 1062 OH TYR A 69 175.134 -10.998 8.847 1.00 0.00 O ATOM 0 H TYR A 69 178.635 -4.687 7.043 1.00 0.00 H new ATOM 0 HA TYR A 69 176.922 -6.352 5.337 1.00 0.00 H new ATOM 0 HB2 TYR A 69 176.147 -5.035 7.954 1.00 0.00 H new ATOM 0 HB3 TYR A 69 174.958 -5.281 6.690 1.00 0.00 H new ATOM 0 HD1 TYR A 69 174.257 -7.565 6.054 1.00 0.00 H new ATOM 0 HD2 TYR A 69 177.075 -6.939 9.188 1.00 0.00 H new ATOM 0 HE1 TYR A 69 173.926 -9.876 6.811 1.00 0.00 H new ATOM 0 HE2 TYR A 69 176.750 -9.253 9.943 1.00 0.00 H new ATOM 0 HH TYR A 69 175.703 -11.171 9.626 1.00 0.00 H new ATOM 1072 N ALA A 70 175.973 -4.292 4.222 1.00 0.00 N ATOM 1073 CA ALA A 70 175.692 -3.131 3.387 1.00 0.00 C ATOM 1074 C ALA A 70 174.369 -2.485 3.779 1.00 0.00 C ATOM 1075 O ALA A 70 173.354 -3.167 3.925 1.00 0.00 O ATOM 1076 CB ALA A 70 175.673 -3.528 1.918 1.00 0.00 C ATOM 0 H ALA A 70 175.486 -5.142 3.938 1.00 0.00 H new ATOM 0 HA ALA A 70 176.486 -2.400 3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 70 175.462 -2.651 1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 70 176.643 -3.939 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 70 174.900 -4.279 1.754 1.00 0.00 H new ATOM 1082 N GLU A 71 174.384 -1.167 3.949 1.00 0.00 N ATOM 1083 CA GLU A 71 173.183 -0.433 4.326 1.00 0.00 C ATOM 1084 C GLU A 71 172.773 0.530 3.217 1.00 0.00 C ATOM 1085 O GLU A 71 173.451 1.524 2.963 1.00 0.00 O ATOM 1086 CB GLU A 71 173.426 0.336 5.629 1.00 0.00 C ATOM 1087 CG GLU A 71 172.256 1.203 6.075 1.00 0.00 C ATOM 1088 CD GLU A 71 171.358 0.500 7.073 1.00 0.00 C ATOM 1089 OE1 GLU A 71 171.726 0.448 8.266 1.00 0.00 O ATOM 1090 OE2 GLU A 71 170.289 0.002 6.663 1.00 0.00 O ATOM 0 H GLU A 71 175.214 -0.586 3.832 1.00 0.00 H new ATOM 0 HA GLU A 71 172.374 -1.147 4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 71 173.656 -0.377 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 71 174.305 0.969 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 71 172.638 2.122 6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 71 171.669 1.491 5.203 1.00 0.00 H new ATOM 1097 N VAL A 72 171.662 0.227 2.556 1.00 0.00 N ATOM 1098 CA VAL A 72 171.168 1.067 1.474 1.00 0.00 C ATOM 1099 C VAL A 72 169.841 1.721 1.846 1.00 0.00 C ATOM 1100 O VAL A 72 168.945 1.070 2.382 1.00 0.00 O ATOM 1101 CB VAL A 72 170.998 0.262 0.169 1.00 0.00 C ATOM 1102 CG1 VAL A 72 169.828 -0.706 0.272 1.00 0.00 C ATOM 1103 CG2 VAL A 72 170.823 1.200 -1.016 1.00 0.00 C ATOM 0 H VAL A 72 171.088 -0.593 2.751 1.00 0.00 H new ATOM 0 HA VAL A 72 171.913 1.846 1.310 1.00 0.00 H new ATOM 0 HB VAL A 72 171.903 -0.325 0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 72 169.731 -1.260 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 72 170.004 -1.403 1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 72 168.910 -0.149 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 72 170.704 0.615 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 72 169.938 1.818 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 72 171.701 1.840 -1.106 1.00 0.00 H new ATOM 1113 N TRP A 73 169.722 3.012 1.555 1.00 0.00 N ATOM 1114 CA TRP A 73 168.505 3.756 1.854 1.00 0.00 C ATOM 1115 C TRP A 73 167.876 4.280 0.569 1.00 0.00 C ATOM 1116 O TRP A 73 168.576 4.800 -0.302 1.00 0.00 O ATOM 1117 CB TRP A 73 168.821 4.925 2.791 1.00 0.00 C ATOM 1118 CG TRP A 73 168.880 4.531 4.235 1.00 0.00 C ATOM 1119 CD1 TRP A 73 169.053 3.274 4.736 1.00 0.00 C ATOM 1120 CD2 TRP A 73 168.764 5.401 5.367 1.00 0.00 C ATOM 1121 NE1 TRP A 73 169.048 3.307 6.108 1.00 0.00 N ATOM 1122 CE2 TRP A 73 168.872 4.601 6.519 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.579 6.778 5.519 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 168.800 5.130 7.802 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.509 7.304 6.795 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.618 6.481 7.923 1.00 0.00 C ATOM 0 H TRP A 73 170.455 3.565 1.112 1.00 0.00 H new ATOM 0 HA TRP A 73 167.799 3.086 2.344 1.00 0.00 H new ATOM 0 HB2 TRP A 73 169.776 5.364 2.503 1.00 0.00 H new ATOM 0 HB3 TRP A 73 168.063 5.698 2.664 1.00 0.00 H new ATOM 0 HD1 TRP A 73 169.176 2.382 4.139 1.00 0.00 H new ATOM 0 HE1 TRP A 73 169.158 2.499 6.721 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.492 7.420 4.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 168.885 4.497 8.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 168.368 8.367 6.924 1.00 0.00 H new ATOM 0 HH2 TRP A 73 168.557 6.921 8.907 1.00 0.00 H new ATOM 1137 N VAL A 74 166.557 4.155 0.453 1.00 0.00 N ATOM 1138 CA VAL A 74 165.858 4.631 -0.733 1.00 0.00 C ATOM 1139 C VAL A 74 164.588 5.390 -0.363 1.00 0.00 C ATOM 1140 O VAL A 74 163.605 4.807 0.095 1.00 0.00 O ATOM 1141 CB VAL A 74 165.493 3.485 -1.692 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.781 4.038 -2.918 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.736 2.701 -2.091 1.00 0.00 C ATOM 0 H VAL A 74 165.956 3.732 1.160 1.00 0.00 H new ATOM 0 HA VAL A 74 166.549 5.304 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 74 164.817 2.800 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 74 164.527 3.219 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.870 4.550 -2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 74 165.436 4.741 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 74 166.456 1.895 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 74 167.441 3.366 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 74 167.202 2.280 -1.200 1.00 0.00 H new ATOM 1153 N GLY A 75 164.633 6.697 -0.562 1.00 0.00 N ATOM 1154 CA GLY A 75 163.494 7.537 -0.243 1.00 0.00 C ATOM 1155 C GLY A 75 163.230 8.603 -1.284 1.00 0.00 C ATOM 1156 O GLY A 75 162.897 8.298 -2.428 1.00 0.00 O ATOM 0 H GLY A 75 165.439 7.195 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 75 162.607 6.912 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 75 163.662 8.015 0.722 1.00 0.00 H new ATOM 1160 N LEU A 76 163.383 9.857 -0.877 1.00 0.00 N ATOM 1161 CA LEU A 76 163.164 10.996 -1.765 1.00 0.00 C ATOM 1162 C LEU A 76 164.065 12.152 -1.343 1.00 0.00 C ATOM 1163 O LEU A 76 164.473 12.232 -0.184 1.00 0.00 O ATOM 1164 CB LEU A 76 161.683 11.425 -1.741 1.00 0.00 C ATOM 1165 CG LEU A 76 160.916 11.283 -3.064 1.00 0.00 C ATOM 1166 CD1 LEU A 76 161.217 9.954 -3.746 1.00 0.00 C ATOM 1167 CD2 LEU A 76 159.420 11.420 -2.821 1.00 0.00 C ATOM 0 H LEU A 76 163.660 10.114 0.070 1.00 0.00 H new ATOM 0 HA LEU A 76 163.413 10.705 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.168 10.837 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.633 12.467 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 76 161.247 12.081 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 76 160.657 9.889 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 76 162.284 9.887 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 76 160.926 9.134 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 76 158.887 11.318 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 76 159.090 10.642 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 76 159.210 12.399 -2.390 1.00 0.00 H new ATOM 1179 N VAL A 77 164.382 13.044 -2.276 1.00 0.00 N ATOM 1180 CA VAL A 77 165.245 14.180 -1.971 1.00 0.00 C ATOM 1181 C VAL A 77 164.766 15.448 -2.669 1.00 0.00 C ATOM 1182 O VAL A 77 163.746 15.443 -3.360 1.00 0.00 O ATOM 1183 CB VAL A 77 166.705 13.902 -2.385 1.00 0.00 C ATOM 1184 CG1 VAL A 77 167.275 12.728 -1.601 1.00 0.00 C ATOM 1185 CG2 VAL A 77 166.797 13.647 -3.883 1.00 0.00 C ATOM 0 H VAL A 77 164.057 13.003 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 77 165.198 14.327 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 77 167.300 14.785 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 77 168.305 12.550 -1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 77 167.249 12.955 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 77 166.679 11.837 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 77 167.834 13.453 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 77 166.186 12.783 -4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 77 166.437 14.522 -4.424 1.00 0.00 H new ATOM 1195 N ASN A 78 165.513 16.533 -2.485 1.00 0.00 N ATOM 1196 CA ASN A 78 165.174 17.813 -3.097 1.00 0.00 C ATOM 1197 C ASN A 78 166.282 18.270 -4.042 1.00 0.00 C ATOM 1198 O ASN A 78 167.237 17.535 -4.293 1.00 0.00 O ATOM 1199 CB ASN A 78 164.928 18.877 -2.019 1.00 0.00 C ATOM 1200 CG ASN A 78 165.740 18.638 -0.759 1.00 0.00 C ATOM 1201 OD1 ASN A 78 166.850 18.109 -0.813 1.00 0.00 O ATOM 1202 ND2 ASN A 78 165.186 19.026 0.384 1.00 0.00 N ATOM 0 H ASN A 78 166.359 16.551 -1.915 1.00 0.00 H new ATOM 0 HA ASN A 78 164.259 17.681 -3.674 1.00 0.00 H new ATOM 0 HB2 ASN A 78 165.173 19.860 -2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 78 163.868 18.892 -1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 78 165.683 18.889 1.264 1.00 0.00 H new ATOM 0 HD22 ASN A 78 164.263 19.461 0.382 1.00 0.00 H new ATOM 1209 N GLU A 79 166.149 19.485 -4.566 1.00 0.00 N ATOM 1210 CA GLU A 79 167.140 20.034 -5.484 1.00 0.00 C ATOM 1211 C GLU A 79 168.460 20.305 -4.765 1.00 0.00 C ATOM 1212 O GLU A 79 169.526 20.304 -5.382 1.00 0.00 O ATOM 1213 CB GLU A 79 166.615 21.323 -6.124 1.00 0.00 C ATOM 1214 CG GLU A 79 166.472 21.236 -7.635 1.00 0.00 C ATOM 1215 CD GLU A 79 166.772 22.551 -8.326 1.00 0.00 C ATOM 1216 OE1 GLU A 79 166.007 23.517 -8.123 1.00 0.00 O ATOM 1217 OE2 GLU A 79 167.774 22.616 -9.069 1.00 0.00 O ATOM 0 H GLU A 79 165.365 20.107 -4.370 1.00 0.00 H new ATOM 0 HA GLU A 79 167.321 19.297 -6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 79 165.646 21.567 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 79 167.290 22.143 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 79 167.145 20.468 -8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 79 165.458 20.923 -7.883 1.00 0.00 H new ATOM 1224 N GLN A 80 168.380 20.536 -3.459 1.00 0.00 N ATOM 1225 CA GLN A 80 169.567 20.809 -2.655 1.00 0.00 C ATOM 1226 C GLN A 80 170.319 19.522 -2.315 1.00 0.00 C ATOM 1227 O GLN A 80 171.436 19.566 -1.798 1.00 0.00 O ATOM 1228 CB GLN A 80 169.180 21.542 -1.369 1.00 0.00 C ATOM 1229 CG GLN A 80 168.019 20.901 -0.627 1.00 0.00 C ATOM 1230 CD GLN A 80 167.798 21.508 0.745 1.00 0.00 C ATOM 1231 OE1 GLN A 80 168.326 21.021 1.744 1.00 0.00 O ATOM 1232 NE2 GLN A 80 167.014 22.579 0.798 1.00 0.00 N ATOM 0 H GLN A 80 167.506 20.540 -2.934 1.00 0.00 H new ATOM 0 HA GLN A 80 170.229 21.443 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 80 170.046 21.580 -0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 80 168.920 22.572 -1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 80 167.110 21.009 -1.219 1.00 0.00 H new ATOM 0 HG3 GLN A 80 168.205 19.832 -0.522 1.00 0.00 H new ATOM 0 HE21 GLN A 80 166.597 22.949 -0.056 1.00 0.00 H new ATOM 0 HE22 GLN A 80 166.829 23.032 1.693 1.00 0.00 H new ATOM 1241 N ASP A 81 169.706 18.376 -2.608 1.00 0.00 N ATOM 1242 CA ASP A 81 170.323 17.081 -2.332 1.00 0.00 C ATOM 1243 C ASP A 81 170.393 16.814 -0.831 1.00 0.00 C ATOM 1244 O ASP A 81 171.383 17.140 -0.176 1.00 0.00 O ATOM 1245 CB ASP A 81 171.727 17.014 -2.940 1.00 0.00 C ATOM 1246 CG ASP A 81 172.036 15.651 -3.528 1.00 0.00 C ATOM 1247 OD1 ASP A 81 171.635 15.399 -4.684 1.00 0.00 O ATOM 1248 OD2 ASP A 81 172.679 14.837 -2.833 1.00 0.00 O ATOM 0 H ASP A 81 168.782 18.319 -3.037 1.00 0.00 H new ATOM 0 HA ASP A 81 169.701 16.312 -2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 81 171.820 17.772 -3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 81 172.464 17.252 -2.173 1.00 0.00 H new ATOM 1253 N GLU A 82 169.335 16.214 -0.297 1.00 0.00 N ATOM 1254 CA GLU A 82 169.268 15.892 1.124 1.00 0.00 C ATOM 1255 C GLU A 82 168.537 14.570 1.336 1.00 0.00 C ATOM 1256 O GLU A 82 167.621 14.234 0.587 1.00 0.00 O ATOM 1257 CB GLU A 82 168.563 17.014 1.892 1.00 0.00 C ATOM 1258 CG GLU A 82 169.492 17.806 2.799 1.00 0.00 C ATOM 1259 CD GLU A 82 168.787 18.955 3.493 1.00 0.00 C ATOM 1260 OE1 GLU A 82 167.583 18.818 3.795 1.00 0.00 O ATOM 1261 OE2 GLU A 82 169.440 19.992 3.735 1.00 0.00 O ATOM 0 H GLU A 82 168.509 15.940 -0.829 1.00 0.00 H new ATOM 0 HA GLU A 82 170.285 15.793 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 82 168.097 17.694 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 82 167.761 16.584 2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 82 169.918 17.139 3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 82 170.323 18.196 2.211 1.00 0.00 H new ATOM 1268 N MET A 83 168.942 13.824 2.358 1.00 0.00 N ATOM 1269 CA MET A 83 168.318 12.540 2.658 1.00 0.00 C ATOM 1270 C MET A 83 167.731 12.534 4.066 1.00 0.00 C ATOM 1271 O MET A 83 168.338 12.014 5.001 1.00 0.00 O ATOM 1272 CB MET A 83 169.339 11.408 2.516 1.00 0.00 C ATOM 1273 CG MET A 83 168.727 10.089 2.073 1.00 0.00 C ATOM 1274 SD MET A 83 168.779 9.865 0.285 1.00 0.00 S ATOM 1275 CE MET A 83 167.653 8.486 0.082 1.00 0.00 C ATOM 0 H MET A 83 169.698 14.085 2.991 1.00 0.00 H new ATOM 0 HA MET A 83 167.508 12.384 1.945 1.00 0.00 H new ATOM 0 HB2 MET A 83 170.101 11.705 1.796 1.00 0.00 H new ATOM 0 HB3 MET A 83 169.843 11.262 3.471 1.00 0.00 H new ATOM 0 HG2 MET A 83 169.258 9.267 2.554 1.00 0.00 H new ATOM 0 HG3 MET A 83 167.692 10.041 2.411 1.00 0.00 H new ATOM 0 HE1 MET A 83 167.874 7.971 -0.853 1.00 0.00 H new ATOM 0 HE2 MET A 83 167.772 7.793 0.915 1.00 0.00 H new ATOM 0 HE3 MET A 83 166.627 8.854 0.060 1.00 0.00 H new ATOM 1285 N ASP A 84 166.544 13.114 4.207 1.00 0.00 N ATOM 1286 CA ASP A 84 165.870 13.174 5.502 1.00 0.00 C ATOM 1287 C ASP A 84 164.530 12.439 5.464 1.00 0.00 C ATOM 1288 O ASP A 84 163.865 12.296 6.490 1.00 0.00 O ATOM 1289 CB ASP A 84 165.653 14.629 5.930 1.00 0.00 C ATOM 1290 CG ASP A 84 166.848 15.510 5.622 1.00 0.00 C ATOM 1291 OD1 ASP A 84 167.208 15.626 4.432 1.00 0.00 O ATOM 1292 OD2 ASP A 84 167.423 16.084 6.570 1.00 0.00 O ATOM 0 H ASP A 84 166.028 13.549 3.442 1.00 0.00 H new ATOM 0 HA ASP A 84 166.513 12.680 6.231 1.00 0.00 H new ATOM 0 HB2 ASP A 84 164.773 15.026 5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 84 165.447 14.663 7.000 1.00 0.00 H new ATOM 1297 N ASP A 85 164.137 11.975 4.280 1.00 0.00 N ATOM 1298 CA ASP A 85 162.878 11.259 4.118 1.00 0.00 C ATOM 1299 C ASP A 85 163.105 9.920 3.427 1.00 0.00 C ATOM 1300 O ASP A 85 162.965 9.805 2.209 1.00 0.00 O ATOM 1301 CB ASP A 85 161.883 12.104 3.318 1.00 0.00 C ATOM 1302 CG ASP A 85 160.685 12.521 4.148 1.00 0.00 C ATOM 1303 OD1 ASP A 85 160.091 11.647 4.814 1.00 0.00 O ATOM 1304 OD2 ASP A 85 160.340 13.722 4.133 1.00 0.00 O ATOM 0 H ASP A 85 164.674 12.083 3.419 1.00 0.00 H new ATOM 0 HA ASP A 85 162.463 11.071 5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 85 162.387 12.993 2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 85 161.542 11.537 2.452 1.00 0.00 H new ATOM 1309 N VAL A 86 163.453 8.912 4.215 1.00 0.00 N ATOM 1310 CA VAL A 86 163.699 7.575 3.687 1.00 0.00 C ATOM 1311 C VAL A 86 162.411 6.754 3.677 1.00 0.00 C ATOM 1312 O VAL A 86 161.687 6.704 4.671 1.00 0.00 O ATOM 1313 CB VAL A 86 164.783 6.834 4.506 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.553 7.021 5.997 1.00 0.00 C ATOM 1315 CG2 VAL A 86 164.827 5.354 4.147 1.00 0.00 C ATOM 0 H VAL A 86 163.572 8.994 5.225 1.00 0.00 H new ATOM 0 HA VAL A 86 164.059 7.690 2.665 1.00 0.00 H new ATOM 0 HB VAL A 86 165.750 7.268 4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.326 6.492 6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 86 164.592 8.083 6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.575 6.623 6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.598 4.859 4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 86 163.859 4.899 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 86 165.056 5.243 3.087 1.00 0.00 H new ATOM 1325 N PHE A 87 162.134 6.114 2.546 1.00 0.00 N ATOM 1326 CA PHE A 87 160.935 5.295 2.402 1.00 0.00 C ATOM 1327 C PHE A 87 161.212 3.862 2.828 1.00 0.00 C ATOM 1328 O PHE A 87 160.365 3.202 3.430 1.00 0.00 O ATOM 1329 CB PHE A 87 160.452 5.318 0.952 1.00 0.00 C ATOM 1330 CG PHE A 87 159.665 6.546 0.612 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.591 6.927 1.396 1.00 0.00 C ATOM 1332 CD2 PHE A 87 160.000 7.321 -0.485 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.863 8.058 1.094 1.00 0.00 C ATOM 1334 CE2 PHE A 87 159.276 8.456 -0.794 1.00 0.00 C ATOM 1335 CZ PHE A 87 158.206 8.826 -0.004 1.00 0.00 C ATOM 0 H PHE A 87 162.724 6.146 1.715 1.00 0.00 H new ATOM 0 HA PHE A 87 160.158 5.708 3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.314 5.251 0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 87 159.837 4.437 0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.320 6.331 2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 87 160.836 7.035 -1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 87 157.026 8.344 1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 87 159.547 9.053 -1.652 1.00 0.00 H new ATOM 0 HZ PHE A 87 157.638 9.713 -0.243 1.00 0.00 H new ATOM 1345 N ALA A 88 162.411 3.393 2.515 1.00 0.00 N ATOM 1346 CA ALA A 88 162.824 2.044 2.862 1.00 0.00 C ATOM 1347 C ALA A 88 164.304 2.022 3.207 1.00 0.00 C ATOM 1348 O ALA A 88 165.042 2.942 2.856 1.00 0.00 O ATOM 1349 CB ALA A 88 162.532 1.090 1.714 1.00 0.00 C ATOM 0 H ALA A 88 163.119 3.933 2.017 1.00 0.00 H new ATOM 0 HA ALA A 88 162.258 1.718 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 88 162.847 0.083 1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.463 1.091 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 88 163.077 1.411 0.826 1.00 0.00 H new ATOM 1355 N LYS A 89 164.742 0.970 3.884 1.00 0.00 N ATOM 1356 CA LYS A 89 166.138 0.822 4.266 1.00 0.00 C ATOM 1357 C LYS A 89 166.479 -0.660 4.225 1.00 0.00 C ATOM 1358 O LYS A 89 165.731 -1.472 4.761 1.00 0.00 O ATOM 1359 CB LYS A 89 166.374 1.380 5.674 1.00 0.00 C ATOM 1360 CG LYS A 89 165.381 2.460 6.086 1.00 0.00 C ATOM 1361 CD LYS A 89 165.947 3.349 7.180 1.00 0.00 C ATOM 1362 CE LYS A 89 164.861 3.830 8.130 1.00 0.00 C ATOM 1363 NZ LYS A 89 163.777 4.561 7.416 1.00 0.00 N ATOM 0 H LYS A 89 164.143 0.200 4.182 1.00 0.00 H new ATOM 0 HA LYS A 89 166.774 1.378 3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 89 166.323 0.561 6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 89 167.383 1.789 5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 89 165.123 3.068 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 89 164.459 1.994 6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 89 166.704 2.800 7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 89 166.444 4.208 6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 89 164.436 2.976 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 89 165.302 4.482 8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 163.665 5.508 7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 164.023 4.651 6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 162.884 4.035 7.508 1.00 0.00 H new ATOM 1377 N PHE A 90 167.576 -1.026 3.572 1.00 0.00 N ATOM 1378 CA PHE A 90 167.937 -2.437 3.462 1.00 0.00 C ATOM 1379 C PHE A 90 169.299 -2.748 4.071 1.00 0.00 C ATOM 1380 O PHE A 90 170.220 -1.932 4.036 1.00 0.00 O ATOM 1381 CB PHE A 90 167.938 -2.884 1.994 1.00 0.00 C ATOM 1382 CG PHE A 90 166.826 -2.306 1.159 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.746 -0.942 0.923 1.00 0.00 C ATOM 1384 CD2 PHE A 90 165.864 -3.134 0.602 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.729 -0.416 0.149 1.00 0.00 C ATOM 1386 CE2 PHE A 90 164.845 -2.614 -0.173 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.777 -1.254 -0.400 1.00 0.00 C ATOM 0 H PHE A 90 168.221 -0.380 3.118 1.00 0.00 H new ATOM 0 HA PHE A 90 167.182 -2.986 4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 90 168.892 -2.608 1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 90 167.872 -3.971 1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.488 -0.283 1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 90 165.911 -4.199 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 90 165.678 0.648 -0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.102 -3.271 -0.601 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.981 -0.846 -1.005 1.00 0.00 H new ATOM 1397 N LEU A 91 169.415 -3.967 4.590 1.00 0.00 N ATOM 1398 CA LEU A 91 170.655 -4.461 5.173 1.00 0.00 C ATOM 1399 C LEU A 91 170.969 -5.816 4.556 1.00 0.00 C ATOM 1400 O LEU A 91 170.180 -6.750 4.681 1.00 0.00 O ATOM 1401 CB LEU A 91 170.534 -4.603 6.690 1.00 0.00 C ATOM 1402 CG LEU A 91 170.301 -3.301 7.458 1.00 0.00 C ATOM 1403 CD1 LEU A 91 169.847 -3.595 8.879 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.565 -2.458 7.468 1.00 0.00 C ATOM 0 H LEU A 91 168.649 -4.640 4.617 1.00 0.00 H new ATOM 0 HA LEU A 91 171.455 -3.750 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 91 169.713 -5.285 6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 91 171.444 -5.069 7.067 1.00 0.00 H new ATOM 0 HG LEU A 91 169.514 -2.739 6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.686 -2.657 9.411 1.00 0.00 H new ATOM 0 HD12 LEU A 91 168.917 -4.162 8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 91 170.613 -4.177 9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 91 171.382 -1.535 8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.370 -3.014 7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 91 171.851 -2.219 6.444 1.00 0.00 H new ATOM 1416 N ILE A 92 172.096 -5.922 3.866 1.00 0.00 N ATOM 1417 CA ILE A 92 172.457 -7.176 3.212 1.00 0.00 C ATOM 1418 C ILE A 92 173.873 -7.624 3.549 1.00 0.00 C ATOM 1419 O ILE A 92 174.770 -6.807 3.758 1.00 0.00 O ATOM 1420 CB ILE A 92 172.320 -7.069 1.675 1.00 0.00 C ATOM 1421 CG1 ILE A 92 172.598 -5.632 1.205 1.00 0.00 C ATOM 1422 CG2 ILE A 92 170.933 -7.521 1.243 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.116 -5.343 -0.200 1.00 0.00 C ATOM 0 H ILE A 92 172.770 -5.166 3.744 1.00 0.00 H new ATOM 0 HA ILE A 92 171.759 -7.921 3.593 1.00 0.00 H new ATOM 0 HB ILE A 92 173.058 -7.723 1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 92 172.119 -4.936 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 92 173.670 -5.444 1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 92 170.846 -7.442 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 92 170.777 -8.557 1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 92 170.181 -6.888 1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 92 172.348 -4.310 -0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 92 172.614 -6.013 -0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.038 -5.497 -0.254 1.00 0.00 H new ATOM 1435 N SER A 93 174.055 -8.939 3.588 1.00 0.00 N ATOM 1436 CA SER A 93 175.352 -9.531 3.886 1.00 0.00 C ATOM 1437 C SER A 93 176.235 -9.538 2.643 1.00 0.00 C ATOM 1438 O SER A 93 175.868 -10.097 1.610 1.00 0.00 O ATOM 1439 CB SER A 93 175.179 -10.957 4.411 1.00 0.00 C ATOM 1440 OG SER A 93 173.890 -11.142 4.969 1.00 0.00 O ATOM 0 H SER A 93 173.314 -9.619 3.416 1.00 0.00 H new ATOM 0 HA SER A 93 175.835 -8.928 4.655 1.00 0.00 H new ATOM 0 HB2 SER A 93 175.333 -11.668 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 93 175.938 -11.165 5.165 1.00 0.00 H new ATOM 0 HG SER A 93 173.916 -11.879 5.615 1.00 0.00 H new ATOM 1446 N HIS A 94 177.396 -8.905 2.750 1.00 0.00 N ATOM 1447 CA HIS A 94 178.336 -8.824 1.637 1.00 0.00 C ATOM 1448 C HIS A 94 178.767 -10.211 1.154 1.00 0.00 C ATOM 1449 O HIS A 94 179.323 -10.348 0.065 1.00 0.00 O ATOM 1450 CB HIS A 94 179.561 -8.005 2.043 1.00 0.00 C ATOM 1451 CG HIS A 94 179.270 -6.543 2.201 1.00 0.00 C ATOM 1452 ND1 HIS A 94 179.222 -5.671 1.136 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.010 -5.799 3.305 1.00 0.00 C ATOM 1454 CE1 HIS A 94 178.951 -4.456 1.575 1.00 0.00 C ATOM 1455 NE2 HIS A 94 178.816 -4.506 2.886 1.00 0.00 N ATOM 0 H HIS A 94 177.711 -8.438 3.600 1.00 0.00 H new ATOM 0 HA HIS A 94 177.827 -8.330 0.810 1.00 0.00 H new ATOM 0 HB2 HIS A 94 179.955 -8.394 2.982 1.00 0.00 H new ATOM 0 HB3 HIS A 94 180.341 -8.134 1.293 1.00 0.00 H new ATOM 0 HD2 HIS A 94 178.964 -6.157 4.323 1.00 0.00 H new ATOM 0 HE1 HIS A 94 178.856 -3.571 0.964 1.00 0.00 H new ATOM 0 HE2 HIS A 94 178.602 -3.713 3.491 1.00 0.00 H new ATOM 1464 N ARG A 95 178.510 -11.237 1.966 1.00 0.00 N ATOM 1465 CA ARG A 95 178.874 -12.608 1.610 1.00 0.00 C ATOM 1466 C ARG A 95 178.337 -12.981 0.228 1.00 0.00 C ATOM 1467 O ARG A 95 177.731 -12.157 -0.456 1.00 0.00 O ATOM 1468 CB ARG A 95 178.338 -13.584 2.659 1.00 0.00 C ATOM 1469 CG ARG A 95 179.312 -13.849 3.798 1.00 0.00 C ATOM 1470 CD ARG A 95 178.638 -13.718 5.156 1.00 0.00 C ATOM 1471 NE ARG A 95 178.843 -14.903 5.986 1.00 0.00 N ATOM 1472 CZ ARG A 95 178.080 -15.218 7.031 1.00 0.00 C ATOM 1473 NH1 ARG A 95 177.063 -14.440 7.378 1.00 0.00 N ATOM 1474 NH2 ARG A 95 178.336 -16.315 7.730 1.00 0.00 N ATOM 0 H ARG A 95 178.052 -11.145 2.873 1.00 0.00 H new ATOM 0 HA ARG A 95 179.962 -12.671 1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 95 177.410 -13.188 3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 95 178.094 -14.529 2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 95 179.730 -14.850 3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 95 180.144 -13.148 3.736 1.00 0.00 H new ATOM 0 HD2 ARG A 95 179.030 -12.842 5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 95 177.570 -13.554 5.016 1.00 0.00 H new ATOM 0 HE ARG A 95 179.616 -15.526 5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 95 176.862 -13.595 6.843 1.00 0.00 H new ATOM 0 HH12 ARG A 95 176.482 -14.687 8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 95 179.117 -16.917 7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 95 177.752 -16.557 8.531 1.00 0.00 H new ATOM 1488 N GLU A 96 178.569 -14.227 -0.182 1.00 0.00 N ATOM 1489 CA GLU A 96 178.112 -14.698 -1.487 1.00 0.00 C ATOM 1490 C GLU A 96 177.248 -15.952 -1.362 1.00 0.00 C ATOM 1491 O GLU A 96 176.113 -15.983 -1.837 1.00 0.00 O ATOM 1492 CB GLU A 96 179.311 -14.979 -2.396 1.00 0.00 C ATOM 1493 CG GLU A 96 179.147 -14.431 -3.805 1.00 0.00 C ATOM 1494 CD GLU A 96 179.631 -15.399 -4.867 1.00 0.00 C ATOM 1495 OE1 GLU A 96 180.756 -15.923 -4.724 1.00 0.00 O ATOM 1496 OE2 GLU A 96 178.886 -15.632 -5.842 1.00 0.00 O ATOM 0 H GLU A 96 179.069 -14.925 0.368 1.00 0.00 H new ATOM 0 HA GLU A 96 177.499 -13.911 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 96 180.205 -14.546 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 96 179.471 -16.056 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 96 178.096 -14.200 -3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 96 179.698 -13.495 -3.893 1.00 0.00 H new ATOM 1503 N GLU A 97 177.793 -16.988 -0.727 1.00 0.00 N ATOM 1504 CA GLU A 97 177.066 -18.246 -0.553 1.00 0.00 C ATOM 1505 C GLU A 97 176.055 -18.169 0.578 1.00 0.00 C ATOM 1506 O GLU A 97 175.344 -19.131 0.869 1.00 0.00 O ATOM 1507 CB GLU A 97 178.040 -19.385 -0.292 1.00 0.00 C ATOM 1508 CG GLU A 97 178.848 -19.217 0.983 1.00 0.00 C ATOM 1509 CD GLU A 97 180.059 -20.128 1.030 1.00 0.00 C ATOM 1510 OE1 GLU A 97 179.909 -21.330 0.724 1.00 0.00 O ATOM 1511 OE2 GLU A 97 181.156 -19.641 1.373 1.00 0.00 O ATOM 0 H GLU A 97 178.731 -16.983 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 97 176.519 -18.433 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 97 177.485 -20.321 -0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 97 178.724 -19.467 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 97 179.174 -18.180 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 97 178.210 -19.422 1.843 1.00 0.00 H new ATOM 1518 N ASP A 98 176.002 -17.017 1.194 1.00 0.00 N ATOM 1519 CA ASP A 98 175.086 -16.760 2.295 1.00 0.00 C ATOM 1520 C ASP A 98 174.836 -15.265 2.423 1.00 0.00 C ATOM 1521 O ASP A 98 175.696 -14.525 2.900 1.00 0.00 O ATOM 1522 CB ASP A 98 175.652 -17.314 3.604 1.00 0.00 C ATOM 1523 CG ASP A 98 174.580 -17.928 4.483 1.00 0.00 C ATOM 1524 OD1 ASP A 98 173.602 -17.222 4.807 1.00 0.00 O ATOM 1525 OD2 ASP A 98 174.719 -19.114 4.848 1.00 0.00 O ATOM 0 H ASP A 98 176.592 -16.221 0.951 1.00 0.00 H new ATOM 0 HA ASP A 98 174.141 -17.262 2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 98 176.409 -18.066 3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 98 176.150 -16.512 4.149 1.00 0.00 H new ATOM 1530 N ARG A 99 173.662 -14.820 1.992 1.00 0.00 N ATOM 1531 CA ARG A 99 173.320 -13.405 2.060 1.00 0.00 C ATOM 1532 C ARG A 99 171.959 -13.201 2.719 1.00 0.00 C ATOM 1533 O ARG A 99 170.935 -13.662 2.214 1.00 0.00 O ATOM 1534 CB ARG A 99 173.327 -12.791 0.651 1.00 0.00 C ATOM 1535 CG ARG A 99 172.755 -11.376 0.570 1.00 0.00 C ATOM 1536 CD ARG A 99 172.080 -11.124 -0.769 1.00 0.00 C ATOM 1537 NE ARG A 99 171.004 -12.078 -1.030 1.00 0.00 N ATOM 1538 CZ ARG A 99 170.171 -11.992 -2.065 1.00 0.00 C ATOM 1539 NH1 ARG A 99 170.284 -10.998 -2.937 1.00 0.00 N ATOM 1540 NH2 ARG A 99 169.221 -12.902 -2.228 1.00 0.00 N ATOM 0 H ARG A 99 172.935 -15.414 1.594 1.00 0.00 H new ATOM 0 HA ARG A 99 174.070 -12.902 2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 99 174.352 -12.776 0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 99 172.757 -13.438 -0.016 1.00 0.00 H new ATOM 0 HG2 ARG A 99 172.036 -11.227 1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 99 173.555 -10.650 0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 99 171.678 -10.111 -0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 99 172.821 -11.187 -1.566 1.00 0.00 H new ATOM 0 HE ARG A 99 170.884 -12.856 -0.381 1.00 0.00 H new ATOM 0 HH11 ARG A 99 171.012 -10.294 -2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 99 169.643 -10.938 -3.728 1.00 0.00 H new ATOM 0 HH21 ARG A 99 169.128 -13.668 -1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 99 168.583 -12.836 -3.021 1.00 0.00 H new ATOM 1554 N GLU A 100 171.960 -12.491 3.839 1.00 0.00 N ATOM 1555 CA GLU A 100 170.729 -12.199 4.563 1.00 0.00 C ATOM 1556 C GLU A 100 170.319 -10.751 4.331 1.00 0.00 C ATOM 1557 O GLU A 100 171.117 -9.834 4.523 1.00 0.00 O ATOM 1558 CB GLU A 100 170.910 -12.458 6.062 1.00 0.00 C ATOM 1559 CG GLU A 100 169.695 -13.081 6.735 1.00 0.00 C ATOM 1560 CD GLU A 100 169.168 -14.295 5.995 1.00 0.00 C ATOM 1561 OE1 GLU A 100 168.338 -14.117 5.078 1.00 0.00 O ATOM 1562 OE2 GLU A 100 169.585 -15.423 6.331 1.00 0.00 O ATOM 0 H GLU A 100 172.802 -12.105 4.267 1.00 0.00 H new ATOM 0 HA GLU A 100 169.944 -12.857 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 100 171.768 -13.114 6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 100 171.143 -11.515 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 100 169.957 -13.368 7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 100 168.904 -12.335 6.808 1.00 0.00 H new ATOM 1569 N PHE A 101 169.077 -10.549 3.911 1.00 0.00 N ATOM 1570 CA PHE A 101 168.575 -9.206 3.645 1.00 0.00 C ATOM 1571 C PHE A 101 167.400 -8.864 4.558 1.00 0.00 C ATOM 1572 O PHE A 101 166.528 -9.697 4.803 1.00 0.00 O ATOM 1573 CB PHE A 101 168.160 -9.073 2.176 1.00 0.00 C ATOM 1574 CG PHE A 101 166.878 -9.782 1.837 1.00 0.00 C ATOM 1575 CD1 PHE A 101 166.851 -11.158 1.678 1.00 0.00 C ATOM 1576 CD2 PHE A 101 165.701 -9.068 1.676 1.00 0.00 C ATOM 1577 CE1 PHE A 101 165.672 -11.810 1.365 1.00 0.00 C ATOM 1578 CE2 PHE A 101 164.520 -9.714 1.363 1.00 0.00 C ATOM 1579 CZ PHE A 101 164.506 -11.087 1.207 1.00 0.00 C ATOM 0 H PHE A 101 168.400 -11.294 3.747 1.00 0.00 H new ATOM 0 HA PHE A 101 169.380 -8.500 3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 101 168.054 -8.016 1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 101 168.958 -9.466 1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 101 167.760 -11.728 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 101 165.707 -7.995 1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 101 165.663 -12.883 1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 101 163.609 -9.147 1.240 1.00 0.00 H new ATOM 0 HZ PHE A 101 163.584 -11.594 0.962 1.00 0.00 H new ATOM 1589 N HIS A 102 167.384 -7.631 5.055 1.00 0.00 N ATOM 1590 CA HIS A 102 166.311 -7.178 5.937 1.00 0.00 C ATOM 1591 C HIS A 102 166.035 -5.690 5.745 1.00 0.00 C ATOM 1592 O HIS A 102 166.778 -4.837 6.233 1.00 0.00 O ATOM 1593 CB HIS A 102 166.645 -7.470 7.404 1.00 0.00 C ATOM 1594 CG HIS A 102 168.104 -7.391 7.735 1.00 0.00 C ATOM 1595 ND1 HIS A 102 168.599 -6.615 8.762 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.176 -8.010 7.185 1.00 0.00 C ATOM 1597 CE1 HIS A 102 169.910 -6.760 8.830 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.285 -7.601 7.885 1.00 0.00 N ATOM 0 H HIS A 102 168.099 -6.929 4.864 1.00 0.00 H new ATOM 0 HA HIS A 102 165.411 -7.732 5.671 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.103 -6.765 8.034 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.282 -8.466 7.655 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.162 -8.697 6.352 1.00 0.00 H new ATOM 0 HE1 HIS A 102 170.564 -6.273 9.538 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.243 -7.899 7.704 1.00 0.00 H new ATOM 1607 N VAL A 103 164.969 -5.394 5.010 1.00 0.00 N ATOM 1608 CA VAL A 103 164.592 -4.014 4.727 1.00 0.00 C ATOM 1609 C VAL A 103 163.465 -3.529 5.639 1.00 0.00 C ATOM 1610 O VAL A 103 162.564 -4.290 5.988 1.00 0.00 O ATOM 1611 CB VAL A 103 164.157 -3.843 3.258 1.00 0.00 C ATOM 1612 CG1 VAL A 103 162.913 -4.667 2.965 1.00 0.00 C ATOM 1613 CG2 VAL A 103 163.922 -2.375 2.929 1.00 0.00 C ATOM 0 H VAL A 103 164.350 -6.092 4.599 1.00 0.00 H new ATOM 0 HA VAL A 103 165.479 -3.410 4.916 1.00 0.00 H new ATOM 0 HB VAL A 103 164.964 -4.207 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.624 -4.531 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.123 -5.721 3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.099 -4.341 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.616 -2.280 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.139 -1.978 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 103 164.843 -1.814 3.089 1.00 0.00 H new ATOM 1623 N ILE A 104 163.520 -2.248 6.008 1.00 0.00 N ATOM 1624 CA ILE A 104 162.500 -1.651 6.863 1.00 0.00 C ATOM 1625 C ILE A 104 161.806 -0.488 6.156 1.00 0.00 C ATOM 1626 O ILE A 104 162.462 0.393 5.600 1.00 0.00 O ATOM 1627 CB ILE A 104 163.089 -1.147 8.199 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.559 -0.736 8.038 1.00 0.00 C ATOM 1629 CG2 ILE A 104 162.946 -2.216 9.270 1.00 0.00 C ATOM 1630 CD1 ILE A 104 164.900 0.545 8.747 1.00 0.00 C ATOM 0 H ILE A 104 164.261 -1.606 5.727 1.00 0.00 H new ATOM 0 HA ILE A 104 161.775 -2.436 7.076 1.00 0.00 H new ATOM 0 HB ILE A 104 162.530 -0.263 8.507 1.00 0.00 H new ATOM 0 HG12 ILE A 104 165.196 -1.534 8.419 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.784 -0.627 6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 104 163.365 -1.850 10.208 1.00 0.00 H new ATOM 0 HG22 ILE A 104 161.891 -2.451 9.411 1.00 0.00 H new ATOM 0 HG23 ILE A 104 163.480 -3.115 8.961 1.00 0.00 H new ATOM 0 HD11 ILE A 104 165.954 0.777 8.592 1.00 0.00 H new ATOM 0 HD12 ILE A 104 164.288 1.355 8.350 1.00 0.00 H new ATOM 0 HD13 ILE A 104 164.706 0.433 9.814 1.00 0.00 H new ATOM 1642 N TRP A 105 160.475 -0.492 6.181 1.00 0.00 N ATOM 1643 CA TRP A 105 159.690 0.565 5.541 1.00 0.00 C ATOM 1644 C TRP A 105 159.096 1.511 6.581 1.00 0.00 C ATOM 1645 O TRP A 105 158.865 1.124 7.726 1.00 0.00 O ATOM 1646 CB TRP A 105 158.569 -0.041 4.691 1.00 0.00 C ATOM 1647 CG TRP A 105 159.029 -1.162 3.807 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.053 -2.489 4.125 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.530 -1.062 2.464 1.00 0.00 C ATOM 1650 NE1 TRP A 105 159.529 -3.222 3.065 1.00 0.00 N ATOM 1651 CE2 TRP A 105 159.828 -2.370 2.034 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.752 0.000 1.579 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.335 -2.641 0.766 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.253 -0.272 0.324 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.539 -1.582 -0.075 1.00 0.00 C ATOM 0 H TRP A 105 159.917 -1.214 6.637 1.00 0.00 H new ATOM 0 HA TRP A 105 160.359 1.135 4.896 1.00 0.00 H new ATOM 0 HB2 TRP A 105 157.782 -0.408 5.350 1.00 0.00 H new ATOM 0 HB3 TRP A 105 158.129 0.741 4.073 1.00 0.00 H new ATOM 0 HD1 TRP A 105 158.743 -2.903 5.073 1.00 0.00 H new ATOM 0 HE1 TRP A 105 159.642 -4.236 3.048 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.534 1.016 1.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 160.559 -3.651 0.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 160.428 0.542 -0.364 1.00 0.00 H new ATOM 0 HH2 TRP A 105 160.928 -1.760 -1.066 1.00 0.00 H new ATOM 1666 N LYS A 106 158.847 2.754 6.173 1.00 0.00 N ATOM 1667 CA LYS A 106 158.277 3.756 7.068 1.00 0.00 C ATOM 1668 C LYS A 106 156.954 3.275 7.657 1.00 0.00 C ATOM 1669 O LYS A 106 156.317 2.368 7.120 1.00 0.00 O ATOM 1670 CB LYS A 106 158.062 5.071 6.318 1.00 0.00 C ATOM 1671 CG LYS A 106 159.312 5.934 6.231 1.00 0.00 C ATOM 1672 CD LYS A 106 159.043 7.360 6.687 1.00 0.00 C ATOM 1673 CE LYS A 106 158.891 8.304 5.505 1.00 0.00 C ATOM 1674 NZ LYS A 106 157.785 9.280 5.712 1.00 0.00 N ATOM 0 H LYS A 106 159.032 3.090 5.228 1.00 0.00 H new ATOM 0 HA LYS A 106 158.980 3.917 7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 106 157.711 4.851 5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 106 157.273 5.637 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 106 160.099 5.498 6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 106 159.678 5.943 5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 106 158.137 7.385 7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 106 159.860 7.700 7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 106 159.826 8.842 5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 106 158.700 7.726 4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 157.714 9.905 4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 156.889 8.768 5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 157.979 9.850 6.560 1.00 0.00 H new ATOM 1688 N LYS A 107 156.546 3.890 8.762 1.00 0.00 N ATOM 1689 CA LYS A 107 155.299 3.527 9.424 1.00 0.00 C ATOM 1690 C LYS A 107 154.416 4.754 9.632 1.00 0.00 C ATOM 1691 O LYS A 107 154.908 5.745 10.212 1.00 0.00 O ATOM 1692 CB LYS A 107 155.588 2.858 10.769 1.00 0.00 C ATOM 1693 CG LYS A 107 156.642 1.766 10.690 1.00 0.00 C ATOM 1694 CD LYS A 107 157.061 1.296 12.073 1.00 0.00 C ATOM 1695 CE LYS A 107 158.459 0.700 12.058 1.00 0.00 C ATOM 1696 NZ LYS A 107 158.571 -0.431 11.095 1.00 0.00 N ATOM 1697 OXT LYS A 107 153.240 4.714 9.213 1.00 0.00 O ATOM 0 H LYS A 107 157.061 4.643 9.218 1.00 0.00 H new ATOM 0 HA LYS A 107 154.767 2.824 8.783 1.00 0.00 H new ATOM 0 HB2 LYS A 107 155.915 3.617 11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 107 154.664 2.432 11.160 1.00 0.00 H new ATOM 0 HG2 LYS A 107 156.252 0.922 10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 107 157.513 2.138 10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 107 157.029 2.135 12.769 1.00 0.00 H new ATOM 0 HD3 LYS A 107 156.351 0.553 12.437 1.00 0.00 H new ATOM 0 HE2 LYS A 107 159.180 1.474 11.795 1.00 0.00 H new ATOM 0 HE3 LYS A 107 158.716 0.352 13.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 159.487 -0.906 11.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 157.802 -1.110 11.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 158.502 -0.067 10.123 1.00 0.00 H new