USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 MET CE :methyl 148:sc= -5.48! (180deg=-8.7!) USER MOD Set 1.2: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 GLN : amide:sc= -7.38! C(o=-7.4!,f=-12!) USER MOD Set 2.2: A 32 MET CE :methyl 173:sc=-0.00466 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.22) USER MOD Single : A 13 THR OG1 : rot 44:sc= -1.38 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 175:sc= 0.472 USER MOD Single : A 24 LYS NZ :NH3+ -157:sc=-0.00102 (180deg=-0.793) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 71:sc= 0.413 USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= 0.406 (180deg=0.0762) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00691 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.82 X(o=-1.8,f=-1.8) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 0.207 (180deg=0.162) USER MOD Single : A 80 GLN : amide:sc= -0.509 K(o=-0.51,f=-1.6) USER MOD Single : A 82 THR OG1 : rot -175:sc= 2.69 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.504 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 133 N LYS A 9 3.052 4.785 -12.118 1.00 0.00 N ATOM 134 CA LYS A 9 3.287 4.908 -10.682 1.00 0.00 C ATOM 135 C LYS A 9 2.998 6.325 -10.197 1.00 0.00 C ATOM 136 O LYS A 9 3.731 7.262 -10.513 1.00 0.00 O ATOM 137 CB LYS A 9 4.729 4.523 -10.344 1.00 0.00 C ATOM 138 CG LYS A 9 4.882 3.075 -9.908 1.00 0.00 C ATOM 139 CD LYS A 9 4.938 2.137 -11.103 1.00 0.00 C ATOM 140 CE LYS A 9 3.550 1.678 -11.522 1.00 0.00 C ATOM 141 NZ LYS A 9 3.245 2.050 -12.931 1.00 0.00 N ATOM 0 HA LYS A 9 2.607 4.226 -10.171 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.358 4.700 -11.216 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.094 5.174 -9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.791 2.966 -9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.047 2.797 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.423 2.641 -11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.549 1.269 -10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.475 0.597 -11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.806 2.121 -10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.326 1.647 -13.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.208 3.086 -13.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.987 1.677 -13.557 1.00 0.00 H new ATOM 155 N GLU A 10 1.928 6.470 -9.422 1.00 0.00 N ATOM 156 CA GLU A 10 1.543 7.770 -8.885 1.00 0.00 C ATOM 157 C GLU A 10 1.895 7.862 -7.401 1.00 0.00 C ATOM 158 O GLU A 10 1.531 6.987 -6.617 1.00 0.00 O ATOM 159 CB GLU A 10 0.045 8.004 -9.080 1.00 0.00 C ATOM 160 CG GLU A 10 -0.386 8.006 -10.538 1.00 0.00 C ATOM 161 CD GLU A 10 -0.250 9.370 -11.184 1.00 0.00 C ATOM 162 OE1 GLU A 10 -0.379 10.383 -10.465 1.00 0.00 O ATOM 163 OE2 GLU A 10 -0.015 9.426 -12.410 1.00 0.00 O ATOM 0 H GLU A 10 1.312 5.703 -9.152 1.00 0.00 H new ATOM 0 HA GLU A 10 2.094 8.540 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.507 7.230 -8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.227 8.958 -8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.215 7.284 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.423 7.677 -10.607 1.00 0.00 H new ATOM 170 N PRO A 11 2.615 8.922 -6.991 1.00 0.00 N ATOM 171 CA PRO A 11 3.014 9.114 -5.605 1.00 0.00 C ATOM 172 C PRO A 11 1.986 9.904 -4.807 1.00 0.00 C ATOM 173 O PRO A 11 1.110 10.556 -5.377 1.00 0.00 O ATOM 174 CB PRO A 11 4.306 9.908 -5.742 1.00 0.00 C ATOM 175 CG PRO A 11 4.124 10.729 -6.982 1.00 0.00 C ATOM 176 CD PRO A 11 3.104 10.016 -7.847 1.00 0.00 C ATOM 0 HA PRO A 11 3.119 8.172 -5.067 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.475 10.541 -4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.169 9.247 -5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.781 11.733 -6.732 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.070 10.838 -7.513 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.295 10.684 -8.143 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.554 9.635 -8.764 1.00 0.00 H new ATOM 184 N ALA A 12 2.095 9.841 -3.485 1.00 0.00 N ATOM 185 CA ALA A 12 1.172 10.551 -2.613 1.00 0.00 C ATOM 186 C ALA A 12 1.690 10.601 -1.180 1.00 0.00 C ATOM 187 O ALA A 12 2.553 9.814 -0.794 1.00 0.00 O ATOM 188 CB ALA A 12 -0.193 9.889 -2.654 1.00 0.00 C ATOM 0 H ALA A 12 2.813 9.306 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 12 1.086 11.576 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.878 10.427 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.576 9.909 -3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.106 8.855 -2.319 1.00 0.00 H new ATOM 194 N THR A 13 1.148 11.525 -0.392 1.00 0.00 N ATOM 195 CA THR A 13 1.549 11.664 1.002 1.00 0.00 C ATOM 196 C THR A 13 0.621 10.857 1.903 1.00 0.00 C ATOM 197 O THR A 13 -0.541 11.216 2.095 1.00 0.00 O ATOM 198 CB THR A 13 1.537 13.138 1.417 1.00 0.00 C ATOM 199 OG1 THR A 13 0.212 13.637 1.454 1.00 0.00 O ATOM 200 CG2 THR A 13 2.337 14.026 0.489 1.00 0.00 C ATOM 0 H THR A 13 0.433 12.186 -0.695 1.00 0.00 H new ATOM 0 HA THR A 13 2.563 11.280 1.110 1.00 0.00 H new ATOM 0 HB THR A 13 1.996 13.165 2.405 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.373 12.979 1.885 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.287 15.057 0.839 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.376 13.697 0.476 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.925 13.965 -0.518 1.00 0.00 H new ATOM 208 N LEU A 14 1.141 9.761 2.442 1.00 0.00 N ATOM 209 CA LEU A 14 0.369 8.887 3.315 1.00 0.00 C ATOM 210 C LEU A 14 0.482 9.324 4.769 1.00 0.00 C ATOM 211 O LEU A 14 1.573 9.362 5.336 1.00 0.00 O ATOM 212 CB LEU A 14 0.844 7.441 3.148 1.00 0.00 C ATOM 213 CG LEU A 14 0.143 6.397 4.028 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.809 6.309 5.392 1.00 0.00 C ATOM 215 CD2 LEU A 14 -1.339 6.714 4.176 1.00 0.00 C ATOM 0 H LEU A 14 2.102 9.455 2.288 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.681 8.953 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.713 7.155 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.913 7.404 3.357 1.00 0.00 H new ATOM 0 HG LEU A 14 0.235 5.428 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.296 5.563 6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.853 6.022 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.755 7.279 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.812 5.959 4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.457 7.695 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.811 6.716 3.193 1.00 0.00 H new ATOM 227 N ILE A 15 -0.658 9.659 5.363 1.00 0.00 N ATOM 228 CA ILE A 15 -0.693 10.099 6.748 1.00 0.00 C ATOM 229 C ILE A 15 -0.505 8.931 7.709 1.00 0.00 C ATOM 230 O ILE A 15 0.226 9.050 8.692 1.00 0.00 O ATOM 231 CB ILE A 15 -2.012 10.825 7.086 1.00 0.00 C ATOM 232 CG1 ILE A 15 -3.216 9.919 6.816 1.00 0.00 C ATOM 233 CG2 ILE A 15 -2.125 12.113 6.285 1.00 0.00 C ATOM 234 CD1 ILE A 15 -3.564 9.006 7.972 1.00 0.00 C ATOM 0 H ILE A 15 -1.569 9.633 4.905 1.00 0.00 H new ATOM 0 HA ILE A 15 0.134 10.799 6.869 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.005 11.073 8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.081 10.540 6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.012 9.312 5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.060 12.615 6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.287 12.767 6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.109 11.882 5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.427 8.395 7.706 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.715 8.359 8.193 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.801 9.606 8.851 1.00 0.00 H new ATOM 246 N LYS A 16 -1.157 7.800 7.430 1.00 0.00 N ATOM 247 CA LYS A 16 -1.030 6.630 8.303 1.00 0.00 C ATOM 248 C LYS A 16 -1.857 5.450 7.805 1.00 0.00 C ATOM 249 O LYS A 16 -2.636 5.570 6.860 1.00 0.00 O ATOM 250 CB LYS A 16 -1.437 6.984 9.744 1.00 0.00 C ATOM 251 CG LYS A 16 -2.924 6.822 10.034 1.00 0.00 C ATOM 252 CD LYS A 16 -3.461 7.972 10.872 1.00 0.00 C ATOM 253 CE LYS A 16 -3.738 7.540 12.303 1.00 0.00 C ATOM 254 NZ LYS A 16 -5.066 6.879 12.437 1.00 0.00 N ATOM 0 H LYS A 16 -1.767 7.669 6.623 1.00 0.00 H new ATOM 0 HA LYS A 16 0.018 6.331 8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.874 6.355 10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.150 8.016 9.947 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.474 6.768 9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.093 5.881 10.557 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.741 8.791 10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.378 8.353 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.957 6.855 12.633 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.698 8.410 12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.216 6.600 13.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.814 7.541 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.096 6.034 11.831 1.00 0.00 H new ATOM 268 N ALA A 17 -1.681 4.309 8.467 1.00 0.00 N ATOM 269 CA ALA A 17 -2.410 3.094 8.122 1.00 0.00 C ATOM 270 C ALA A 17 -3.519 2.826 9.135 1.00 0.00 C ATOM 271 O ALA A 17 -3.260 2.375 10.251 1.00 0.00 O ATOM 272 CB ALA A 17 -1.457 1.909 8.049 1.00 0.00 C ATOM 0 H ALA A 17 -1.036 4.202 9.250 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.868 3.233 7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.015 1.009 7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.700 2.098 7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.973 1.771 9.016 1.00 0.00 H new ATOM 278 N ILE A 18 -4.754 3.116 8.741 1.00 0.00 N ATOM 279 CA ILE A 18 -5.909 2.920 9.609 1.00 0.00 C ATOM 280 C ILE A 18 -5.973 1.495 10.162 1.00 0.00 C ATOM 281 O ILE A 18 -5.668 1.262 11.330 1.00 0.00 O ATOM 282 CB ILE A 18 -7.226 3.238 8.868 1.00 0.00 C ATOM 283 CG1 ILE A 18 -7.193 4.664 8.312 1.00 0.00 C ATOM 284 CG2 ILE A 18 -8.421 3.056 9.794 1.00 0.00 C ATOM 285 CD1 ILE A 18 -7.127 5.730 9.385 1.00 0.00 C ATOM 0 H ILE A 18 -4.982 3.490 7.820 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.789 3.611 10.443 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.329 2.542 8.036 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.331 4.769 7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.081 4.828 7.702 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.339 3.285 9.253 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.455 2.025 10.146 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.326 3.728 10.647 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.106 6.715 8.919 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.002 5.652 10.030 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.224 5.592 9.980 1.00 0.00 H new ATOM 297 N ASP A 19 -6.382 0.549 9.321 1.00 0.00 N ATOM 298 CA ASP A 19 -6.496 -0.845 9.741 1.00 0.00 C ATOM 299 C ASP A 19 -5.444 -1.721 9.067 1.00 0.00 C ATOM 300 O ASP A 19 -5.737 -2.838 8.639 1.00 0.00 O ATOM 301 CB ASP A 19 -7.896 -1.378 9.427 1.00 0.00 C ATOM 302 CG ASP A 19 -8.126 -2.765 9.995 1.00 0.00 C ATOM 303 OD1 ASP A 19 -7.940 -2.945 11.217 1.00 0.00 O ATOM 304 OD2 ASP A 19 -8.493 -3.671 9.218 1.00 0.00 O ATOM 0 H ASP A 19 -6.639 0.721 8.349 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.327 -0.882 10.817 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.642 -0.694 9.832 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.039 -1.402 8.347 1.00 0.00 H new ATOM 309 N GLY A 20 -4.219 -1.215 8.981 1.00 0.00 N ATOM 310 CA GLY A 20 -3.147 -1.975 8.364 1.00 0.00 C ATOM 311 C GLY A 20 -3.116 -1.834 6.854 1.00 0.00 C ATOM 312 O GLY A 20 -2.078 -1.509 6.278 1.00 0.00 O ATOM 0 H GLY A 20 -3.949 -0.294 9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.192 -1.646 8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.259 -3.028 8.623 1.00 0.00 H new ATOM 316 N ASP A 21 -4.255 -2.076 6.210 1.00 0.00 N ATOM 317 CA ASP A 21 -4.347 -1.971 4.760 1.00 0.00 C ATOM 318 C ASP A 21 -4.895 -0.609 4.360 1.00 0.00 C ATOM 319 O ASP A 21 -4.482 -0.034 3.353 1.00 0.00 O ATOM 320 CB ASP A 21 -5.242 -3.079 4.200 1.00 0.00 C ATOM 321 CG ASP A 21 -4.555 -4.430 4.192 1.00 0.00 C ATOM 322 OD1 ASP A 21 -4.662 -5.156 5.202 1.00 0.00 O ATOM 323 OD2 ASP A 21 -3.910 -4.762 3.174 1.00 0.00 O ATOM 0 H ASP A 21 -5.125 -2.346 6.670 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.346 -2.083 4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.153 -3.142 4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.542 -2.821 3.184 1.00 0.00 H new ATOM 328 N THR A 22 -5.821 -0.092 5.162 1.00 0.00 N ATOM 329 CA THR A 22 -6.416 1.209 4.896 1.00 0.00 C ATOM 330 C THR A 22 -5.402 2.319 5.163 1.00 0.00 C ATOM 331 O THR A 22 -5.085 2.613 6.313 1.00 0.00 O ATOM 332 CB THR A 22 -7.661 1.416 5.763 1.00 0.00 C ATOM 333 OG1 THR A 22 -7.620 0.585 6.911 1.00 0.00 O ATOM 334 CG2 THR A 22 -8.955 1.128 5.030 1.00 0.00 C ATOM 0 H THR A 22 -6.174 -0.555 6.000 1.00 0.00 H new ATOM 0 HA THR A 22 -6.711 1.245 3.847 1.00 0.00 H new ATOM 0 HB THR A 22 -7.647 2.470 6.041 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.382 0.791 7.491 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.798 1.294 5.701 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.041 1.791 4.169 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.959 0.092 4.692 1.00 0.00 H new ATOM 342 N VAL A 23 -4.889 2.927 4.099 1.00 0.00 N ATOM 343 CA VAL A 23 -3.904 3.999 4.233 1.00 0.00 C ATOM 344 C VAL A 23 -4.380 5.275 3.549 1.00 0.00 C ATOM 345 O VAL A 23 -4.791 5.250 2.392 1.00 0.00 O ATOM 346 CB VAL A 23 -2.542 3.587 3.641 1.00 0.00 C ATOM 347 CG1 VAL A 23 -1.799 2.667 4.598 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.723 2.921 2.285 1.00 0.00 C ATOM 0 H VAL A 23 -5.137 2.698 3.136 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.786 4.187 5.300 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.944 4.488 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.840 2.387 4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.631 3.184 5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.393 1.770 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.749 2.638 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.342 2.031 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.208 3.616 1.600 1.00 0.00 H new ATOM 358 N LYS A 24 -4.328 6.389 4.274 1.00 0.00 N ATOM 359 CA LYS A 24 -4.766 7.673 3.734 1.00 0.00 C ATOM 360 C LYS A 24 -3.611 8.437 3.086 1.00 0.00 C ATOM 361 O LYS A 24 -2.842 9.115 3.767 1.00 0.00 O ATOM 362 CB LYS A 24 -5.397 8.523 4.844 1.00 0.00 C ATOM 363 CG LYS A 24 -5.411 10.017 4.547 1.00 0.00 C ATOM 364 CD LYS A 24 -6.355 10.764 5.475 1.00 0.00 C ATOM 365 CE LYS A 24 -6.351 12.257 5.189 1.00 0.00 C ATOM 366 NZ LYS A 24 -7.499 12.660 4.330 1.00 0.00 N ATOM 0 H LYS A 24 -3.988 6.429 5.235 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.509 7.472 2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.420 8.186 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.852 8.352 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.403 10.419 4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.713 10.180 3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.366 10.373 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.062 10.590 6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.390 12.807 6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.417 12.530 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.272 13.550 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.683 11.917 3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.344 12.794 4.921 1.00 0.00 H new ATOM 380 N LEU A 25 -3.509 8.338 1.766 1.00 0.00 N ATOM 381 CA LEU A 25 -2.460 9.037 1.028 1.00 0.00 C ATOM 382 C LEU A 25 -3.028 10.168 0.178 1.00 0.00 C ATOM 383 O LEU A 25 -4.057 10.012 -0.478 1.00 0.00 O ATOM 384 CB LEU A 25 -1.645 8.062 0.157 1.00 0.00 C ATOM 385 CG LEU A 25 -2.394 7.306 -0.936 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.860 8.239 -2.047 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.501 6.212 -1.508 1.00 0.00 C ATOM 0 H LEU A 25 -4.137 7.783 1.185 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.789 9.478 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.838 8.624 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.180 7.329 0.816 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.281 6.857 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.389 7.664 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.528 8.994 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.996 8.728 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.039 5.674 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.602 6.660 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.222 5.518 -0.715 1.00 0.00 H new ATOM 399 N MET A 26 -2.333 11.308 0.185 1.00 0.00 N ATOM 400 CA MET A 26 -2.751 12.468 -0.604 1.00 0.00 C ATOM 401 C MET A 26 -2.485 12.190 -2.076 1.00 0.00 C ATOM 402 O MET A 26 -1.352 12.291 -2.543 1.00 0.00 O ATOM 403 CB MET A 26 -1.989 13.720 -0.168 1.00 0.00 C ATOM 404 CG MET A 26 -2.561 15.009 -0.735 1.00 0.00 C ATOM 405 SD MET A 26 -1.754 16.479 -0.072 1.00 0.00 S ATOM 406 CE MET A 26 -2.892 16.930 1.236 1.00 0.00 C ATOM 0 H MET A 26 -1.481 11.452 0.727 1.00 0.00 H new ATOM 0 HA MET A 26 -3.815 12.642 -0.445 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.994 13.778 0.920 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.948 13.627 -0.477 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.458 15.001 -1.820 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.628 15.055 -0.516 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.529 17.825 1.742 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.876 17.128 0.810 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.965 16.112 1.953 1.00 0.00 H new ATOM 416 N TYR A 27 -3.531 11.810 -2.793 1.00 0.00 N ATOM 417 CA TYR A 27 -3.409 11.472 -4.203 1.00 0.00 C ATOM 418 C TYR A 27 -3.578 12.694 -5.106 1.00 0.00 C ATOM 419 O TYR A 27 -4.677 13.227 -5.253 1.00 0.00 O ATOM 420 CB TYR A 27 -4.442 10.398 -4.547 1.00 0.00 C ATOM 421 CG TYR A 27 -4.500 10.044 -6.015 1.00 0.00 C ATOM 422 CD1 TYR A 27 -3.562 9.189 -6.580 1.00 0.00 C ATOM 423 CD2 TYR A 27 -5.492 10.564 -6.833 1.00 0.00 C ATOM 424 CE1 TYR A 27 -3.613 8.862 -7.921 1.00 0.00 C ATOM 425 CE2 TYR A 27 -5.551 10.243 -8.174 1.00 0.00 C ATOM 426 CZ TYR A 27 -4.609 9.392 -8.715 1.00 0.00 C ATOM 427 OH TYR A 27 -4.663 9.070 -10.052 1.00 0.00 O ATOM 0 H TYR A 27 -4.477 11.728 -2.420 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.403 11.091 -4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.217 9.497 -3.976 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.426 10.741 -4.228 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.781 8.773 -5.961 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.231 11.231 -6.414 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.877 8.195 -8.346 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.331 10.656 -8.797 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.944 8.136 -10.153 1.00 0.00 H new ATOM 437 N LYS A 28 -2.471 13.116 -5.718 1.00 0.00 N ATOM 438 CA LYS A 28 -2.465 14.264 -6.625 1.00 0.00 C ATOM 439 C LYS A 28 -3.163 15.475 -6.012 1.00 0.00 C ATOM 440 O LYS A 28 -3.707 16.315 -6.726 1.00 0.00 O ATOM 441 CB LYS A 28 -3.136 13.894 -7.950 1.00 0.00 C ATOM 442 CG LYS A 28 -2.455 14.501 -9.167 1.00 0.00 C ATOM 443 CD LYS A 28 -1.442 13.543 -9.776 1.00 0.00 C ATOM 444 CE LYS A 28 -0.015 13.995 -9.507 1.00 0.00 C ATOM 445 NZ LYS A 28 0.859 12.860 -9.098 1.00 0.00 N ATOM 0 H LYS A 28 -1.559 12.675 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.424 14.533 -6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.145 12.809 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.176 14.221 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.206 14.761 -9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.956 15.427 -8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.592 12.544 -9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.606 13.474 -10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.393 14.463 -10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.016 14.753 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.832 13.038 -9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.847 12.769 -8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.509 11.980 -9.527 1.00 0.00 H new ATOM 459 N GLY A 29 -3.138 15.559 -4.689 1.00 0.00 N ATOM 460 CA GLY A 29 -3.776 16.669 -4.007 1.00 0.00 C ATOM 461 C GLY A 29 -5.101 16.278 -3.381 1.00 0.00 C ATOM 462 O GLY A 29 -5.632 17.002 -2.539 1.00 0.00 O ATOM 0 H GLY A 29 -2.688 14.880 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.109 17.048 -3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.937 17.482 -4.715 1.00 0.00 H new ATOM 466 N GLN A 30 -5.626 15.120 -3.773 1.00 0.00 N ATOM 467 CA GLN A 30 -6.883 14.629 -3.221 1.00 0.00 C ATOM 468 C GLN A 30 -6.644 13.322 -2.473 1.00 0.00 C ATOM 469 O GLN A 30 -6.574 12.255 -3.083 1.00 0.00 O ATOM 470 CB GLN A 30 -7.926 14.397 -4.326 1.00 0.00 C ATOM 471 CG GLN A 30 -7.731 15.249 -5.573 1.00 0.00 C ATOM 472 CD GLN A 30 -6.690 14.685 -6.521 1.00 0.00 C ATOM 473 OE1 GLN A 30 -5.846 15.415 -7.034 1.00 0.00 O ATOM 474 NE2 GLN A 30 -6.754 13.383 -6.773 1.00 0.00 N ATOM 0 H GLN A 30 -5.201 14.507 -4.469 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.267 15.386 -2.537 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.903 13.346 -4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.917 14.595 -3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.682 15.337 -6.098 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.436 16.255 -5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.471 12.812 -6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.086 12.954 -7.414 1.00 0.00 H new ATOM 483 N PRO A 31 -6.502 13.382 -1.139 1.00 0.00 N ATOM 484 CA PRO A 31 -6.256 12.193 -0.326 1.00 0.00 C ATOM 485 C PRO A 31 -7.374 11.166 -0.416 1.00 0.00 C ATOM 486 O PRO A 31 -8.555 11.505 -0.493 1.00 0.00 O ATOM 487 CB PRO A 31 -6.140 12.734 1.103 1.00 0.00 C ATOM 488 CG PRO A 31 -5.859 14.189 0.947 1.00 0.00 C ATOM 489 CD PRO A 31 -6.542 14.605 -0.323 1.00 0.00 C ATOM 0 HA PRO A 31 -5.366 11.664 -0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.060 12.568 1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.340 12.235 1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.239 14.754 1.798 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.787 14.376 0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.565 14.935 -0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.022 15.431 -0.809 1.00 0.00 H new ATOM 497 N MET A 32 -6.970 9.906 -0.401 1.00 0.00 N ATOM 498 CA MET A 32 -7.890 8.784 -0.475 1.00 0.00 C ATOM 499 C MET A 32 -7.354 7.639 0.372 1.00 0.00 C ATOM 500 O MET A 32 -6.158 7.577 0.650 1.00 0.00 O ATOM 501 CB MET A 32 -8.026 8.316 -1.927 1.00 0.00 C ATOM 502 CG MET A 32 -8.388 9.428 -2.896 1.00 0.00 C ATOM 503 SD MET A 32 -8.567 8.842 -4.592 1.00 0.00 S ATOM 504 CE MET A 32 -8.929 10.376 -5.441 1.00 0.00 C ATOM 0 H MET A 32 -5.990 9.632 -0.337 1.00 0.00 H new ATOM 0 HA MET A 32 -8.867 9.095 -0.104 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.086 7.863 -2.243 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.788 7.539 -1.979 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.320 9.894 -2.576 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.618 10.199 -2.862 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.944 10.202 -6.517 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.902 10.749 -5.120 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.162 11.113 -5.203 1.00 0.00 H new ATOM 514 N THR A 33 -8.220 6.719 0.754 1.00 0.00 N ATOM 515 CA THR A 33 -7.782 5.565 1.523 1.00 0.00 C ATOM 516 C THR A 33 -7.579 4.405 0.550 1.00 0.00 C ATOM 517 O THR A 33 -8.134 4.414 -0.548 1.00 0.00 O ATOM 518 CB THR A 33 -8.779 5.215 2.633 1.00 0.00 C ATOM 519 OG1 THR A 33 -9.880 6.106 2.621 1.00 0.00 O ATOM 520 CG2 THR A 33 -8.168 5.264 4.016 1.00 0.00 C ATOM 0 H THR A 33 -9.219 6.745 0.549 1.00 0.00 H new ATOM 0 HA THR A 33 -6.843 5.788 2.029 1.00 0.00 H new ATOM 0 HB THR A 33 -9.097 4.193 2.425 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.505 5.864 3.336 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.924 5.007 4.757 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.345 4.552 4.075 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.794 6.269 4.213 1.00 0.00 H new ATOM 528 N PHE A 34 -6.758 3.434 0.921 1.00 0.00 N ATOM 529 CA PHE A 34 -6.469 2.312 0.031 1.00 0.00 C ATOM 530 C PHE A 34 -6.453 0.995 0.784 1.00 0.00 C ATOM 531 O PHE A 34 -6.267 0.967 1.995 1.00 0.00 O ATOM 532 CB PHE A 34 -5.120 2.531 -0.663 1.00 0.00 C ATOM 533 CG PHE A 34 -5.034 3.825 -1.418 1.00 0.00 C ATOM 534 CD1 PHE A 34 -5.105 5.034 -0.753 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.879 3.832 -2.795 1.00 0.00 C ATOM 536 CE1 PHE A 34 -5.024 6.223 -1.440 1.00 0.00 C ATOM 537 CE2 PHE A 34 -4.797 5.025 -3.487 1.00 0.00 C ATOM 538 CZ PHE A 34 -4.869 6.222 -2.801 1.00 0.00 C ATOM 0 H PHE A 34 -6.283 3.397 1.823 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.262 2.263 -0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.328 2.504 0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.937 1.706 -1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.226 5.046 0.320 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.822 2.897 -3.332 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.083 7.159 -0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.677 5.022 -4.560 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.803 7.157 -3.338 1.00 0.00 H new ATOM 548 N ARG A 35 -6.653 -0.098 0.060 1.00 0.00 N ATOM 549 CA ARG A 35 -6.665 -1.413 0.679 1.00 0.00 C ATOM 550 C ARG A 35 -5.937 -2.446 -0.181 1.00 0.00 C ATOM 551 O ARG A 35 -6.502 -2.985 -1.130 1.00 0.00 O ATOM 552 CB ARG A 35 -8.111 -1.846 0.935 1.00 0.00 C ATOM 553 CG ARG A 35 -8.265 -3.318 1.293 1.00 0.00 C ATOM 554 CD ARG A 35 -9.457 -3.548 2.209 1.00 0.00 C ATOM 555 NE ARG A 35 -9.046 -3.796 3.588 1.00 0.00 N ATOM 556 CZ ARG A 35 -8.596 -4.969 4.028 1.00 0.00 C ATOM 557 NH1 ARG A 35 -8.501 -6.004 3.202 1.00 0.00 N ATOM 558 NH2 ARG A 35 -8.241 -5.109 5.298 1.00 0.00 N ATOM 0 H ARG A 35 -6.808 -0.099 -0.948 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.133 -1.351 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.522 -1.242 1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.705 -1.635 0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.387 -3.904 0.382 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.357 -3.672 1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.112 -2.678 2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.036 -4.397 1.845 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.107 -3.025 4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.774 -5.903 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.155 -6.900 3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.313 -4.318 5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.896 -6.008 5.635 1.00 0.00 H new ATOM 572 N LEU A 36 -4.682 -2.722 0.174 1.00 0.00 N ATOM 573 CA LEU A 36 -3.862 -3.699 -0.545 1.00 0.00 C ATOM 574 C LEU A 36 -2.408 -3.632 -0.071 1.00 0.00 C ATOM 575 O LEU A 36 -1.988 -4.421 0.774 1.00 0.00 O ATOM 576 CB LEU A 36 -3.944 -3.478 -2.064 1.00 0.00 C ATOM 577 CG LEU A 36 -4.427 -4.689 -2.869 1.00 0.00 C ATOM 578 CD1 LEU A 36 -5.895 -4.540 -3.240 1.00 0.00 C ATOM 579 CD2 LEU A 36 -3.579 -4.873 -4.120 1.00 0.00 C ATOM 0 H LEU A 36 -4.208 -2.279 0.961 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.253 -4.693 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.614 -2.641 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.958 -3.189 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.320 -5.576 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.216 -5.411 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.493 -4.460 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.029 -3.642 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.937 -5.738 -4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.653 -3.982 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.539 -5.031 -3.835 1.00 0.00 H new ATOM 900 N PRO A 56 3.964 -3.448 13.930 1.00 0.00 N ATOM 901 CA PRO A 56 5.208 -2.751 13.574 1.00 0.00 C ATOM 902 C PRO A 56 5.382 -2.512 12.074 1.00 0.00 C ATOM 903 O PRO A 56 6.182 -1.670 11.667 1.00 0.00 O ATOM 904 CB PRO A 56 6.294 -3.697 14.086 1.00 0.00 C ATOM 905 CG PRO A 56 5.661 -4.399 15.234 1.00 0.00 C ATOM 906 CD PRO A 56 4.212 -4.563 14.867 1.00 0.00 C ATOM 0 HA PRO A 56 5.232 -1.750 14.005 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.606 -4.400 13.313 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.184 -3.150 14.397 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.132 -5.366 15.408 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.769 -3.822 16.152 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.024 -5.529 14.399 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.567 -4.502 15.743 1.00 0.00 H new ATOM 914 N GLU A 57 4.654 -3.259 11.251 1.00 0.00 N ATOM 915 CA GLU A 57 4.768 -3.117 9.804 1.00 0.00 C ATOM 916 C GLU A 57 3.728 -2.153 9.234 1.00 0.00 C ATOM 917 O GLU A 57 4.041 -1.326 8.378 1.00 0.00 O ATOM 918 CB GLU A 57 4.626 -4.480 9.128 1.00 0.00 C ATOM 919 CG GLU A 57 4.631 -4.416 7.606 1.00 0.00 C ATOM 920 CD GLU A 57 3.463 -5.160 6.987 1.00 0.00 C ATOM 921 OE1 GLU A 57 2.305 -4.813 7.300 1.00 0.00 O ATOM 922 OE2 GLU A 57 3.709 -6.088 6.188 1.00 0.00 O ATOM 0 H GLU A 57 3.984 -3.964 11.558 1.00 0.00 H new ATOM 0 HA GLU A 57 5.755 -2.702 9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.440 -5.125 9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.697 -4.944 9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.601 -3.373 7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.564 -4.836 7.231 1.00 0.00 H new ATOM 929 N ALA A 58 2.486 -2.282 9.680 1.00 0.00 N ATOM 930 CA ALA A 58 1.413 -1.436 9.174 1.00 0.00 C ATOM 931 C ALA A 58 1.236 -0.158 9.988 1.00 0.00 C ATOM 932 O ALA A 58 1.437 0.944 9.480 1.00 0.00 O ATOM 933 CB ALA A 58 0.111 -2.221 9.136 1.00 0.00 C ATOM 0 H ALA A 58 2.197 -2.959 10.386 1.00 0.00 H new ATOM 0 HA ALA A 58 1.691 -1.131 8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.687 -1.583 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.226 -3.085 8.482 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.140 -2.558 10.142 1.00 0.00 H new ATOM 939 N SER A 59 0.835 -0.306 11.243 1.00 0.00 N ATOM 940 CA SER A 59 0.604 0.844 12.109 1.00 0.00 C ATOM 941 C SER A 59 1.892 1.612 12.401 1.00 0.00 C ATOM 942 O SER A 59 1.881 2.838 12.506 1.00 0.00 O ATOM 943 CB SER A 59 -0.045 0.393 13.422 1.00 0.00 C ATOM 944 OG SER A 59 0.935 0.051 14.389 1.00 0.00 O ATOM 0 H SER A 59 0.663 -1.209 11.685 1.00 0.00 H new ATOM 0 HA SER A 59 -0.069 1.519 11.581 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.679 1.190 13.810 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.690 -0.465 13.235 1.00 0.00 H new ATOM 0 HG SER A 59 0.493 -0.231 15.217 1.00 0.00 H new ATOM 950 N ALA A 60 2.995 0.888 12.554 1.00 0.00 N ATOM 951 CA ALA A 60 4.277 1.516 12.860 1.00 0.00 C ATOM 952 C ALA A 60 5.063 1.906 11.609 1.00 0.00 C ATOM 953 O ALA A 60 5.437 3.066 11.444 1.00 0.00 O ATOM 954 CB ALA A 60 5.113 0.597 13.736 1.00 0.00 C ATOM 0 H ALA A 60 3.029 -0.128 12.472 1.00 0.00 H new ATOM 0 HA ALA A 60 4.056 2.439 13.395 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.067 1.075 13.958 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.581 0.398 14.666 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.291 -0.342 13.212 1.00 0.00 H new ATOM 960 N PHE A 61 5.342 0.932 10.747 1.00 0.00 N ATOM 961 CA PHE A 61 6.122 1.185 9.538 1.00 0.00 C ATOM 962 C PHE A 61 5.452 2.194 8.606 1.00 0.00 C ATOM 963 O PHE A 61 5.954 3.300 8.422 1.00 0.00 O ATOM 964 CB PHE A 61 6.374 -0.122 8.789 1.00 0.00 C ATOM 965 CG PHE A 61 7.824 -0.374 8.491 1.00 0.00 C ATOM 966 CD1 PHE A 61 8.687 -0.792 9.490 1.00 0.00 C ATOM 967 CD2 PHE A 61 8.320 -0.194 7.211 1.00 0.00 C ATOM 968 CE1 PHE A 61 10.021 -1.026 9.218 1.00 0.00 C ATOM 969 CE2 PHE A 61 9.654 -0.426 6.932 1.00 0.00 C ATOM 970 CZ PHE A 61 10.506 -0.843 7.937 1.00 0.00 C ATOM 0 H PHE A 61 5.041 -0.036 10.862 1.00 0.00 H new ATOM 0 HA PHE A 61 7.070 1.618 9.858 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.984 -0.951 9.380 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.816 -0.108 7.853 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.313 -0.937 10.493 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.658 0.131 6.422 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.684 -1.352 10.006 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.030 -0.282 5.930 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.548 -1.025 7.722 1.00 0.00 H new ATOM 980 N THR A 62 4.338 1.798 7.998 1.00 0.00 N ATOM 981 CA THR A 62 3.624 2.661 7.053 1.00 0.00 C ATOM 982 C THR A 62 3.567 4.118 7.517 1.00 0.00 C ATOM 983 O THR A 62 4.151 4.998 6.887 1.00 0.00 O ATOM 984 CB THR A 62 2.206 2.137 6.826 1.00 0.00 C ATOM 985 OG1 THR A 62 2.231 0.781 6.417 1.00 0.00 O ATOM 986 CG2 THR A 62 1.445 2.920 5.779 1.00 0.00 C ATOM 0 H THR A 62 3.907 0.885 8.141 1.00 0.00 H new ATOM 0 HA THR A 62 4.183 2.637 6.117 1.00 0.00 H new ATOM 0 HB THR A 62 1.697 2.248 7.784 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.314 0.464 6.279 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.446 2.499 5.664 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.366 3.962 6.090 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.974 2.864 4.827 1.00 0.00 H new ATOM 994 N LYS A 63 2.852 4.370 8.608 1.00 0.00 N ATOM 995 CA LYS A 63 2.714 5.725 9.135 1.00 0.00 C ATOM 996 C LYS A 63 4.070 6.372 9.416 1.00 0.00 C ATOM 997 O LYS A 63 4.189 7.597 9.421 1.00 0.00 O ATOM 998 CB LYS A 63 1.877 5.710 10.413 1.00 0.00 C ATOM 999 CG LYS A 63 1.599 7.097 10.964 1.00 0.00 C ATOM 1000 CD LYS A 63 2.621 7.496 12.016 1.00 0.00 C ATOM 1001 CE LYS A 63 2.818 9.002 12.061 1.00 0.00 C ATOM 1002 NZ LYS A 63 1.689 9.690 12.748 1.00 0.00 N ATOM 0 H LYS A 63 2.359 3.656 9.145 1.00 0.00 H new ATOM 0 HA LYS A 63 2.212 6.320 8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.930 5.209 10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.394 5.122 11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.612 7.822 10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.600 7.123 11.398 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.295 7.142 12.994 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.573 7.010 11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.750 9.231 12.577 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.913 9.386 11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.862 10.716 12.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.802 9.493 12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.614 9.342 13.725 1.00 0.00 H new ATOM 1016 N LYS A 64 5.086 5.552 9.664 1.00 0.00 N ATOM 1017 CA LYS A 64 6.422 6.063 9.963 1.00 0.00 C ATOM 1018 C LYS A 64 7.246 6.280 8.694 1.00 0.00 C ATOM 1019 O LYS A 64 7.640 7.404 8.383 1.00 0.00 O ATOM 1020 CB LYS A 64 7.156 5.098 10.898 1.00 0.00 C ATOM 1021 CG LYS A 64 8.563 5.548 11.257 1.00 0.00 C ATOM 1022 CD LYS A 64 8.792 5.523 12.761 1.00 0.00 C ATOM 1023 CE LYS A 64 8.271 6.787 13.425 1.00 0.00 C ATOM 1024 NZ LYS A 64 8.967 7.065 14.712 1.00 0.00 N ATOM 0 H LYS A 64 5.012 4.535 9.664 1.00 0.00 H new ATOM 0 HA LYS A 64 6.302 7.030 10.452 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.576 4.982 11.814 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.207 4.117 10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.289 4.900 10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.731 6.557 10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.295 4.653 13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.857 5.416 12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.404 7.633 12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.201 6.688 13.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.583 7.935 15.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.819 6.269 15.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.985 7.185 14.537 1.00 0.00 H new ATOM 1038 N MET A 65 7.515 5.196 7.976 1.00 0.00 N ATOM 1039 CA MET A 65 8.308 5.254 6.751 1.00 0.00 C ATOM 1040 C MET A 65 7.792 6.321 5.788 1.00 0.00 C ATOM 1041 O MET A 65 8.543 6.826 4.954 1.00 0.00 O ATOM 1042 CB MET A 65 8.310 3.887 6.063 1.00 0.00 C ATOM 1043 CG MET A 65 9.536 3.048 6.384 1.00 0.00 C ATOM 1044 SD MET A 65 10.760 3.067 5.059 1.00 0.00 S ATOM 1045 CE MET A 65 10.098 1.806 3.973 1.00 0.00 C ATOM 0 H MET A 65 7.194 4.260 8.222 1.00 0.00 H new ATOM 0 HA MET A 65 9.326 5.525 7.030 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.416 3.338 6.360 1.00 0.00 H new ATOM 0 HB3 MET A 65 8.251 4.032 4.984 1.00 0.00 H new ATOM 0 HG2 MET A 65 9.994 3.418 7.301 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.228 2.020 6.574 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.337 2.055 2.939 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.538 0.841 4.225 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.016 1.754 4.093 1.00 0.00 H new ATOM 1055 N VAL A 66 6.513 6.659 5.900 1.00 0.00 N ATOM 1056 CA VAL A 66 5.917 7.664 5.029 1.00 0.00 C ATOM 1057 C VAL A 66 6.313 9.072 5.459 1.00 0.00 C ATOM 1058 O VAL A 66 6.426 9.976 4.630 1.00 0.00 O ATOM 1059 CB VAL A 66 4.383 7.549 5.013 1.00 0.00 C ATOM 1060 CG1 VAL A 66 3.960 6.225 4.393 1.00 0.00 C ATOM 1061 CG2 VAL A 66 3.820 7.698 6.420 1.00 0.00 C ATOM 0 H VAL A 66 5.872 6.254 6.582 1.00 0.00 H new ATOM 0 HA VAL A 66 6.297 7.480 4.024 1.00 0.00 H new ATOM 0 HB VAL A 66 3.978 8.356 4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.872 6.157 4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.332 6.167 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.373 5.402 4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.734 7.614 6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.226 6.914 7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.097 8.673 6.821 1.00 0.00 H new ATOM 1071 N GLU A 67 6.525 9.252 6.758 1.00 0.00 N ATOM 1072 CA GLU A 67 6.912 10.552 7.295 1.00 0.00 C ATOM 1073 C GLU A 67 8.431 10.672 7.418 1.00 0.00 C ATOM 1074 O GLU A 67 8.955 11.761 7.656 1.00 0.00 O ATOM 1075 CB GLU A 67 6.261 10.773 8.661 1.00 0.00 C ATOM 1076 CG GLU A 67 6.263 12.227 9.106 1.00 0.00 C ATOM 1077 CD GLU A 67 5.242 13.066 8.364 1.00 0.00 C ATOM 1078 OE1 GLU A 67 4.821 12.653 7.262 1.00 0.00 O ATOM 1079 OE2 GLU A 67 4.863 14.137 8.882 1.00 0.00 O ATOM 0 H GLU A 67 6.436 8.515 7.458 1.00 0.00 H new ATOM 0 HA GLU A 67 6.565 11.318 6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.233 10.413 8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.784 10.173 9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.059 12.276 10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.256 12.649 8.951 1.00 0.00 H new ATOM 1086 N ASN A 68 9.135 9.553 7.262 1.00 0.00 N ATOM 1087 CA ASN A 68 10.590 9.546 7.364 1.00 0.00 C ATOM 1088 C ASN A 68 11.243 9.602 5.985 1.00 0.00 C ATOM 1089 O ASN A 68 12.358 10.104 5.838 1.00 0.00 O ATOM 1090 CB ASN A 68 11.062 8.298 8.112 1.00 0.00 C ATOM 1091 CG ASN A 68 10.641 8.303 9.568 1.00 0.00 C ATOM 1092 OD1 ASN A 68 10.114 9.296 10.071 1.00 0.00 O ATOM 1093 ND2 ASN A 68 10.874 7.191 10.255 1.00 0.00 N ATOM 0 H ASN A 68 8.721 8.642 7.065 1.00 0.00 H new ATOM 0 HA ASN A 68 10.890 10.435 7.920 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.659 7.411 7.623 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.148 8.230 8.051 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.614 7.136 11.240 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.313 6.392 9.798 1.00 0.00 H new ATOM 1100 N ALA A 69 10.548 9.083 4.977 1.00 0.00 N ATOM 1101 CA ALA A 69 11.068 9.077 3.615 1.00 0.00 C ATOM 1102 C ALA A 69 10.417 10.166 2.773 1.00 0.00 C ATOM 1103 O ALA A 69 9.231 10.459 2.926 1.00 0.00 O ATOM 1104 CB ALA A 69 10.854 7.713 2.974 1.00 0.00 C ATOM 0 H ALA A 69 9.625 8.662 5.078 1.00 0.00 H new ATOM 0 HA ALA A 69 12.138 9.281 3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.247 7.723 1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.373 6.952 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.788 7.486 2.949 1.00 0.00 H new ATOM 1110 N LYS A 70 11.200 10.764 1.880 1.00 0.00 N ATOM 1111 CA LYS A 70 10.699 11.821 1.010 1.00 0.00 C ATOM 1112 C LYS A 70 10.317 11.264 -0.358 1.00 0.00 C ATOM 1113 O LYS A 70 10.390 11.967 -1.366 1.00 0.00 O ATOM 1114 CB LYS A 70 11.750 12.920 0.853 1.00 0.00 C ATOM 1115 CG LYS A 70 13.017 12.456 0.155 1.00 0.00 C ATOM 1116 CD LYS A 70 14.144 13.463 0.319 1.00 0.00 C ATOM 1117 CE LYS A 70 14.653 13.502 1.752 1.00 0.00 C ATOM 1118 NZ LYS A 70 14.896 14.895 2.217 1.00 0.00 N ATOM 0 H LYS A 70 12.184 10.534 1.740 1.00 0.00 H new ATOM 0 HA LYS A 70 9.807 12.245 1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.317 13.747 0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.009 13.307 1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.326 11.493 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.815 12.304 -0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.963 13.206 -0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.793 14.454 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.927 13.022 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.577 12.929 1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.242 14.878 3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.607 15.346 1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.009 15.436 2.172 1.00 0.00 H new ATOM 1132 N LYS A 71 9.910 9.998 -0.386 1.00 0.00 N ATOM 1133 CA LYS A 71 9.517 9.351 -1.632 1.00 0.00 C ATOM 1134 C LYS A 71 8.483 8.259 -1.382 1.00 0.00 C ATOM 1135 O LYS A 71 8.827 7.139 -1.004 1.00 0.00 O ATOM 1136 CB LYS A 71 10.736 8.755 -2.334 1.00 0.00 C ATOM 1137 CG LYS A 71 11.643 7.956 -1.410 1.00 0.00 C ATOM 1138 CD LYS A 71 13.109 8.280 -1.648 1.00 0.00 C ATOM 1139 CE LYS A 71 13.401 9.757 -1.428 1.00 0.00 C ATOM 1140 NZ LYS A 71 14.016 10.386 -2.629 1.00 0.00 N ATOM 0 H LYS A 71 9.844 9.402 0.439 1.00 0.00 H new ATOM 0 HA LYS A 71 9.071 10.111 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.398 8.109 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.313 9.561 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.386 8.170 -0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.475 6.890 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.727 7.683 -0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.383 8.002 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.476 10.277 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.070 9.872 -0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.199 11.392 -2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.912 9.907 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.367 10.299 -3.437 1.00 0.00 H new ATOM 1154 N ILE A 72 7.219 8.593 -1.603 1.00 0.00 N ATOM 1155 CA ILE A 72 6.131 7.644 -1.414 1.00 0.00 C ATOM 1156 C ILE A 72 5.386 7.422 -2.725 1.00 0.00 C ATOM 1157 O ILE A 72 4.485 8.184 -3.073 1.00 0.00 O ATOM 1158 CB ILE A 72 5.139 8.133 -0.341 1.00 0.00 C ATOM 1159 CG1 ILE A 72 5.882 8.482 0.951 1.00 0.00 C ATOM 1160 CG2 ILE A 72 4.074 7.078 -0.077 1.00 0.00 C ATOM 1161 CD1 ILE A 72 5.473 9.812 1.543 1.00 0.00 C ATOM 0 H ILE A 72 6.921 9.518 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 72 6.571 6.705 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 72 4.645 9.032 -0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.705 7.697 1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.954 8.496 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.383 7.441 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.527 6.875 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.549 6.161 0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.040 9.994 2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.676 10.607 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.408 9.795 1.774 1.00 0.00 H new ATOM 1173 N GLU A 73 5.772 6.379 -3.454 1.00 0.00 N ATOM 1174 CA GLU A 73 5.138 6.073 -4.729 1.00 0.00 C ATOM 1175 C GLU A 73 4.028 5.045 -4.550 1.00 0.00 C ATOM 1176 O GLU A 73 4.186 4.066 -3.821 1.00 0.00 O ATOM 1177 CB GLU A 73 6.173 5.565 -5.735 1.00 0.00 C ATOM 1178 CG GLU A 73 6.114 6.276 -7.078 1.00 0.00 C ATOM 1179 CD GLU A 73 7.215 7.305 -7.242 1.00 0.00 C ATOM 1180 OE1 GLU A 73 8.381 6.982 -6.927 1.00 0.00 O ATOM 1181 OE2 GLU A 73 6.913 8.432 -7.685 1.00 0.00 O ATOM 0 H GLU A 73 6.516 5.736 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 73 4.696 6.991 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.170 5.687 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.022 4.497 -5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.188 5.540 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.146 6.765 -7.184 1.00 0.00 H new ATOM 1188 N VAL A 74 2.903 5.276 -5.218 1.00 0.00 N ATOM 1189 CA VAL A 74 1.765 4.373 -5.129 1.00 0.00 C ATOM 1190 C VAL A 74 1.447 3.745 -6.478 1.00 0.00 C ATOM 1191 O VAL A 74 0.846 4.379 -7.345 1.00 0.00 O ATOM 1192 CB VAL A 74 0.509 5.097 -4.607 1.00 0.00 C ATOM 1193 CG1 VAL A 74 -0.606 4.102 -4.328 1.00 0.00 C ATOM 1194 CG2 VAL A 74 0.836 5.904 -3.359 1.00 0.00 C ATOM 0 H VAL A 74 2.756 6.081 -5.827 1.00 0.00 H new ATOM 0 HA VAL A 74 2.045 3.590 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 74 0.165 5.786 -5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.484 4.633 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.860 3.573 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.274 3.385 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.064 6.408 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.208 5.237 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.599 6.646 -3.595 1.00 0.00 H new ATOM 1204 N GLU A 75 1.843 2.489 -6.642 1.00 0.00 N ATOM 1205 CA GLU A 75 1.589 1.762 -7.879 1.00 0.00 C ATOM 1206 C GLU A 75 0.106 1.426 -7.993 1.00 0.00 C ATOM 1207 O GLU A 75 -0.278 0.257 -7.981 1.00 0.00 O ATOM 1208 CB GLU A 75 2.422 0.478 -7.912 1.00 0.00 C ATOM 1209 CG GLU A 75 2.529 -0.145 -9.294 1.00 0.00 C ATOM 1210 CD GLU A 75 1.961 -1.550 -9.348 1.00 0.00 C ATOM 1211 OE1 GLU A 75 0.719 -1.689 -9.334 1.00 0.00 O ATOM 1212 OE2 GLU A 75 2.756 -2.510 -9.404 1.00 0.00 O ATOM 0 H GLU A 75 2.342 1.952 -5.933 1.00 0.00 H new ATOM 0 HA GLU A 75 1.874 2.390 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.424 0.696 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.981 -0.248 -7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.003 0.483 -10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.576 -0.169 -9.597 1.00 0.00 H new ATOM 1219 N PHE A 76 -0.729 2.459 -8.078 1.00 0.00 N ATOM 1220 CA PHE A 76 -2.169 2.263 -8.165 1.00 0.00 C ATOM 1221 C PHE A 76 -2.701 2.567 -9.567 1.00 0.00 C ATOM 1222 O PHE A 76 -2.000 3.142 -10.399 1.00 0.00 O ATOM 1223 CB PHE A 76 -2.866 3.113 -7.083 1.00 0.00 C ATOM 1224 CG PHE A 76 -3.725 4.246 -7.583 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -3.276 5.107 -8.574 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -4.982 4.453 -7.041 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -4.070 6.147 -9.017 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -5.777 5.493 -7.477 1.00 0.00 C ATOM 1229 CZ PHE A 76 -5.323 6.341 -8.467 1.00 0.00 C ATOM 0 H PHE A 76 -0.433 3.435 -8.088 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.394 1.213 -7.981 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.486 2.454 -6.476 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.101 3.526 -6.426 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.296 4.963 -9.003 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.345 3.792 -6.267 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.712 6.808 -9.792 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.755 5.644 -7.044 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.945 7.154 -8.811 1.00 0.00 H new ATOM 1239 N ASP A 77 -3.945 2.166 -9.817 1.00 0.00 N ATOM 1240 CA ASP A 77 -4.583 2.380 -11.111 1.00 0.00 C ATOM 1241 C ASP A 77 -5.595 3.518 -11.049 1.00 0.00 C ATOM 1242 O ASP A 77 -6.045 3.907 -9.971 1.00 0.00 O ATOM 1243 CB ASP A 77 -5.276 1.098 -11.578 1.00 0.00 C ATOM 1244 CG ASP A 77 -5.514 1.082 -13.076 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -6.372 1.857 -13.548 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -4.842 0.296 -13.775 1.00 0.00 O ATOM 0 H ASP A 77 -4.534 1.688 -9.135 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.805 2.652 -11.824 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.667 0.237 -11.300 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.230 0.994 -11.060 1.00 0.00 H new ATOM 1251 N LYS A 78 -5.957 4.041 -12.218 1.00 0.00 N ATOM 1252 CA LYS A 78 -6.926 5.127 -12.304 1.00 0.00 C ATOM 1253 C LYS A 78 -8.297 4.587 -12.704 1.00 0.00 C ATOM 1254 O LYS A 78 -9.071 5.262 -13.383 1.00 0.00 O ATOM 1255 CB LYS A 78 -6.460 6.179 -13.313 1.00 0.00 C ATOM 1256 CG LYS A 78 -5.304 7.030 -12.811 1.00 0.00 C ATOM 1257 CD LYS A 78 -4.494 7.605 -13.961 1.00 0.00 C ATOM 1258 CE LYS A 78 -3.072 7.929 -13.533 1.00 0.00 C ATOM 1259 NZ LYS A 78 -2.518 9.094 -14.276 1.00 0.00 N ATOM 0 H LYS A 78 -5.593 3.729 -13.118 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.007 5.595 -11.323 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.160 5.680 -14.234 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.299 6.829 -13.561 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.690 7.842 -12.195 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.657 6.427 -12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.474 6.892 -14.785 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.978 8.508 -14.333 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.054 8.139 -12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.437 7.059 -13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.637 9.409 -13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.320 8.817 -15.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.209 9.871 -14.268 1.00 0.00 H new ATOM 1273 N GLY A 79 -8.584 3.367 -12.268 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.852 2.735 -12.567 1.00 0.00 C ATOM 1275 C GLY A 79 -10.098 1.576 -11.637 1.00 0.00 C ATOM 1276 O GLY A 79 -10.689 0.566 -12.021 1.00 0.00 O ATOM 0 H GLY A 79 -7.951 2.799 -11.705 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.658 3.462 -12.472 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.857 2.387 -13.600 1.00 0.00 H new ATOM 1280 N GLN A 80 -9.621 1.724 -10.411 1.00 0.00 N ATOM 1281 CA GLN A 80 -9.761 0.688 -9.411 1.00 0.00 C ATOM 1282 C GLN A 80 -11.158 0.690 -8.824 1.00 0.00 C ATOM 1283 O GLN A 80 -11.672 1.720 -8.389 1.00 0.00 O ATOM 1284 CB GLN A 80 -8.726 0.869 -8.301 1.00 0.00 C ATOM 1285 CG GLN A 80 -7.642 -0.192 -8.286 1.00 0.00 C ATOM 1286 CD GLN A 80 -8.171 -1.596 -8.516 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -9.272 -1.936 -8.084 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -7.385 -2.419 -9.201 1.00 0.00 N ATOM 0 H GLN A 80 -9.131 2.558 -10.087 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.591 -0.273 -9.897 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.260 1.848 -8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.237 0.865 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.905 0.041 -9.054 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.125 -0.159 -7.327 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.479 -2.095 -9.541 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.687 -3.375 -9.388 1.00 0.00 H new ATOM 1297 N ARG A 81 -11.753 -0.483 -8.824 1.00 0.00 N ATOM 1298 CA ARG A 81 -13.101 -0.668 -8.298 1.00 0.00 C ATOM 1299 C ARG A 81 -13.148 -0.365 -6.804 1.00 0.00 C ATOM 1300 O ARG A 81 -13.162 -1.275 -5.975 1.00 0.00 O ATOM 1301 CB ARG A 81 -13.581 -2.098 -8.559 1.00 0.00 C ATOM 1302 CG ARG A 81 -14.332 -2.257 -9.870 1.00 0.00 C ATOM 1303 CD ARG A 81 -14.931 -3.647 -10.005 1.00 0.00 C ATOM 1304 NE ARG A 81 -16.233 -3.749 -9.351 1.00 0.00 N ATOM 1305 CZ ARG A 81 -17.363 -3.277 -9.872 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -17.355 -2.671 -11.053 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -18.505 -3.410 -9.210 1.00 0.00 N ATOM 0 H ARG A 81 -11.324 -1.335 -9.185 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.764 0.028 -8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.720 -2.767 -8.559 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.228 -2.411 -7.739 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.125 -1.511 -9.929 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.655 -2.069 -10.703 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.036 -3.895 -11.061 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.249 -4.379 -9.571 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.279 -4.209 -8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.480 -2.565 -11.566 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.224 -2.311 -11.447 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.517 -3.874 -8.302 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.371 -3.048 -9.609 1.00 0.00 H new ATOM 1321 N THR A 82 -13.172 0.920 -6.469 1.00 0.00 N ATOM 1322 CA THR A 82 -13.218 1.348 -5.075 1.00 0.00 C ATOM 1323 C THR A 82 -14.655 1.596 -4.631 1.00 0.00 C ATOM 1324 O THR A 82 -15.468 2.122 -5.392 1.00 0.00 O ATOM 1325 CB THR A 82 -12.387 2.618 -4.886 1.00 0.00 C ATOM 1326 OG1 THR A 82 -11.063 2.425 -5.349 1.00 0.00 O ATOM 1327 CG2 THR A 82 -12.307 3.071 -3.443 1.00 0.00 C ATOM 0 H THR A 82 -13.160 1.685 -7.144 1.00 0.00 H new ATOM 0 HA THR A 82 -12.799 0.552 -4.460 1.00 0.00 H new ATOM 0 HB THR A 82 -12.899 3.387 -5.464 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.526 3.220 -5.146 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.703 3.976 -3.379 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.310 3.277 -3.070 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.850 2.287 -2.840 1.00 0.00 H new ATOM 1421 N TRP A 88 -8.952 1.784 -2.388 1.00 0.00 N ATOM 1422 CA TRP A 88 -8.181 1.777 -3.616 1.00 0.00 C ATOM 1423 C TRP A 88 -6.984 0.855 -3.456 1.00 0.00 C ATOM 1424 O TRP A 88 -6.416 0.761 -2.371 1.00 0.00 O ATOM 1425 CB TRP A 88 -7.679 3.192 -3.926 1.00 0.00 C ATOM 1426 CG TRP A 88 -8.702 4.084 -4.558 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -9.607 4.885 -3.921 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -8.909 4.279 -5.957 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -10.368 5.562 -4.844 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -9.957 5.205 -6.103 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -8.306 3.756 -7.100 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -10.416 5.618 -7.352 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -8.758 4.163 -8.336 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -9.805 5.087 -8.457 1.00 0.00 C ATOM 0 HA TRP A 88 -8.815 1.428 -4.431 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.334 3.653 -3.001 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.816 3.122 -4.588 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.709 4.973 -2.850 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.116 6.222 -4.628 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.498 3.044 -7.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -11.223 6.330 -7.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.298 3.763 -9.227 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.136 5.386 -9.440 1.00 0.00 H new ATOM 1445 N LEU A 89 -6.582 0.187 -4.526 1.00 0.00 N ATOM 1446 CA LEU A 89 -5.424 -0.696 -4.451 1.00 0.00 C ATOM 1447 C LEU A 89 -4.151 0.148 -4.474 1.00 0.00 C ATOM 1448 O LEU A 89 -4.199 1.324 -4.829 1.00 0.00 O ATOM 1449 CB LEU A 89 -5.440 -1.703 -5.614 1.00 0.00 C ATOM 1450 CG LEU A 89 -4.624 -1.322 -6.863 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -4.818 0.147 -7.230 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -3.149 -1.630 -6.648 1.00 0.00 C ATOM 0 H LEU A 89 -7.029 0.236 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.457 -1.265 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.070 -2.659 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.475 -1.858 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.989 -1.922 -7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.228 0.382 -8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.872 0.334 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.493 0.775 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.586 -1.355 -7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.779 -1.061 -5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.024 -2.695 -6.454 1.00 0.00 H new ATOM 1464 N ALA A 90 -3.016 -0.436 -4.100 1.00 0.00 N ATOM 1465 CA ALA A 90 -1.760 0.313 -4.100 1.00 0.00 C ATOM 1466 C ALA A 90 -0.601 -0.497 -3.532 1.00 0.00 C ATOM 1467 O ALA A 90 -0.785 -1.595 -3.008 1.00 0.00 O ATOM 1468 CB ALA A 90 -1.918 1.610 -3.319 1.00 0.00 C ATOM 0 H ALA A 90 -2.938 -1.407 -3.798 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.523 0.538 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.975 2.157 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.695 2.220 -3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.197 1.383 -2.290 1.00 0.00 H new ATOM 1474 N TYR A 91 0.594 0.074 -3.641 1.00 0.00 N ATOM 1475 CA TYR A 91 1.811 -0.555 -3.143 1.00 0.00 C ATOM 1476 C TYR A 91 2.731 0.499 -2.534 1.00 0.00 C ATOM 1477 O TYR A 91 3.944 0.481 -2.744 1.00 0.00 O ATOM 1478 CB TYR A 91 2.535 -1.288 -4.274 1.00 0.00 C ATOM 1479 CG TYR A 91 1.878 -2.588 -4.676 1.00 0.00 C ATOM 1480 CD1 TYR A 91 0.662 -2.594 -5.346 1.00 0.00 C ATOM 1481 CD2 TYR A 91 2.475 -3.808 -4.386 1.00 0.00 C ATOM 1482 CE1 TYR A 91 0.057 -3.781 -5.715 1.00 0.00 C ATOM 1483 CE2 TYR A 91 1.877 -4.999 -4.752 1.00 0.00 C ATOM 1484 CZ TYR A 91 0.669 -4.980 -5.417 1.00 0.00 C ATOM 1485 OH TYR A 91 0.071 -6.164 -5.784 1.00 0.00 O ATOM 0 H TYR A 91 0.746 0.984 -4.076 1.00 0.00 H new ATOM 0 HA TYR A 91 1.539 -1.279 -2.375 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.587 -0.633 -5.144 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.561 -1.490 -3.966 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.181 -1.656 -5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.422 -3.826 -3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.890 -3.769 -6.234 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.353 -5.940 -4.518 1.00 0.00 H new ATOM 0 HH TYR A 91 0.632 -6.916 -5.501 1.00 0.00 H new ATOM 1495 N ILE A 92 2.131 1.425 -1.789 1.00 0.00 N ATOM 1496 CA ILE A 92 2.868 2.511 -1.145 1.00 0.00 C ATOM 1497 C ILE A 92 4.177 2.028 -0.528 1.00 0.00 C ATOM 1498 O ILE A 92 4.193 1.074 0.249 1.00 0.00 O ATOM 1499 CB ILE A 92 2.020 3.186 -0.048 1.00 0.00 C ATOM 1500 CG1 ILE A 92 0.618 3.502 -0.574 1.00 0.00 C ATOM 1501 CG2 ILE A 92 2.707 4.449 0.453 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -0.433 2.511 -0.125 1.00 0.00 C ATOM 0 H ILE A 92 1.126 1.444 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 92 3.096 3.233 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 92 1.922 2.496 0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.330 4.500 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.644 3.524 -1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.096 4.913 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.683 4.193 0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.835 5.146 -0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.402 2.797 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.169 1.515 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.487 2.506 0.964 1.00 0.00 H new ATOM 1514 N TYR A 93 5.272 2.701 -0.873 1.00 0.00 N ATOM 1515 CA TYR A 93 6.581 2.342 -0.344 1.00 0.00 C ATOM 1516 C TYR A 93 7.441 3.574 -0.102 1.00 0.00 C ATOM 1517 O TYR A 93 7.265 4.608 -0.746 1.00 0.00 O ATOM 1518 CB TYR A 93 7.311 1.382 -1.285 1.00 0.00 C ATOM 1519 CG TYR A 93 7.247 1.757 -2.746 1.00 0.00 C ATOM 1520 CD1 TYR A 93 7.834 2.927 -3.210 1.00 0.00 C ATOM 1521 CD2 TYR A 93 6.615 0.928 -3.664 1.00 0.00 C ATOM 1522 CE1 TYR A 93 7.790 3.263 -4.549 1.00 0.00 C ATOM 1523 CE2 TYR A 93 6.568 1.256 -5.005 1.00 0.00 C ATOM 1524 CZ TYR A 93 7.156 2.424 -5.442 1.00 0.00 C ATOM 1525 OH TYR A 93 7.109 2.755 -6.777 1.00 0.00 O ATOM 0 H TYR A 93 5.277 3.494 -1.514 1.00 0.00 H new ATOM 0 HA TYR A 93 6.414 1.843 0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.357 1.326 -0.984 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.890 0.384 -1.162 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.333 3.584 -2.513 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.153 0.013 -3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.249 4.177 -4.895 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.073 0.601 -5.707 1.00 0.00 H new ATOM 0 HH TYR A 93 6.628 2.058 -7.270 1.00 0.00 H new ATOM 1535 N ALA A 94 8.379 3.449 0.833 1.00 0.00 N ATOM 1536 CA ALA A 94 9.281 4.540 1.168 1.00 0.00 C ATOM 1537 C ALA A 94 10.713 4.194 0.777 1.00 0.00 C ATOM 1538 O ALA A 94 11.183 3.083 1.024 1.00 0.00 O ATOM 1539 CB ALA A 94 9.198 4.857 2.653 1.00 0.00 C ATOM 0 H ALA A 94 8.532 2.597 1.373 1.00 0.00 H new ATOM 0 HA ALA A 94 8.977 5.423 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.878 5.675 2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.179 5.148 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.477 3.975 3.229 1.00 0.00 H new ATOM 1545 N ASP A 95 11.400 5.148 0.164 1.00 0.00 N ATOM 1546 CA ASP A 95 12.778 4.943 -0.266 1.00 0.00 C ATOM 1547 C ASP A 95 12.879 3.788 -1.259 1.00 0.00 C ATOM 1548 O ASP A 95 13.936 3.178 -1.408 1.00 0.00 O ATOM 1549 CB ASP A 95 13.678 4.675 0.943 1.00 0.00 C ATOM 1550 CG ASP A 95 14.561 5.859 1.282 1.00 0.00 C ATOM 1551 OD1 ASP A 95 14.015 6.929 1.623 1.00 0.00 O ATOM 1552 OD2 ASP A 95 15.800 5.717 1.207 1.00 0.00 O ATOM 0 H ASP A 95 11.026 6.073 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 95 13.113 5.852 -0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.059 4.429 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.303 3.805 0.741 1.00 0.00 H new ATOM 1557 N GLY A 96 11.774 3.494 -1.939 1.00 0.00 N ATOM 1558 CA GLY A 96 11.767 2.415 -2.911 1.00 0.00 C ATOM 1559 C GLY A 96 11.422 1.068 -2.301 1.00 0.00 C ATOM 1560 O GLY A 96 11.157 0.106 -3.024 1.00 0.00 O ATOM 0 H GLY A 96 10.885 3.983 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.048 2.646 -3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.747 2.353 -3.384 1.00 0.00 H new ATOM 1564 N LYS A 97 11.422 0.992 -0.974 1.00 0.00 N ATOM 1565 CA LYS A 97 11.105 -0.254 -0.284 1.00 0.00 C ATOM 1566 C LYS A 97 9.728 -0.182 0.369 1.00 0.00 C ATOM 1567 O LYS A 97 9.429 0.751 1.115 1.00 0.00 O ATOM 1568 CB LYS A 97 12.172 -0.572 0.769 1.00 0.00 C ATOM 1569 CG LYS A 97 12.488 0.590 1.697 1.00 0.00 C ATOM 1570 CD LYS A 97 13.666 0.272 2.607 1.00 0.00 C ATOM 1571 CE LYS A 97 13.338 0.552 4.065 1.00 0.00 C ATOM 1572 NZ LYS A 97 12.768 -0.642 4.748 1.00 0.00 N ATOM 0 H LYS A 97 11.637 1.775 -0.357 1.00 0.00 H new ATOM 0 HA LYS A 97 11.092 -1.054 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.838 -1.420 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.087 -0.879 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.712 1.478 1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.612 0.823 2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.944 -0.775 2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.529 0.866 2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.241 0.870 4.585 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.628 1.377 4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.559 -0.408 5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.892 -0.931 4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.455 -1.422 4.714 1.00 0.00 H new ATOM 1586 N MET A 98 8.893 -1.174 0.076 1.00 0.00 N ATOM 1587 CA MET A 98 7.542 -1.231 0.624 1.00 0.00 C ATOM 1588 C MET A 98 7.565 -1.568 2.109 1.00 0.00 C ATOM 1589 O MET A 98 8.462 -2.260 2.586 1.00 0.00 O ATOM 1590 CB MET A 98 6.702 -2.262 -0.136 1.00 0.00 C ATOM 1591 CG MET A 98 6.884 -2.208 -1.648 1.00 0.00 C ATOM 1592 SD MET A 98 7.980 -3.499 -2.270 1.00 0.00 S ATOM 1593 CE MET A 98 8.020 -3.096 -4.015 1.00 0.00 C ATOM 0 H MET A 98 9.129 -1.952 -0.540 1.00 0.00 H new ATOM 0 HA MET A 98 7.090 -0.246 0.505 1.00 0.00 H new ATOM 0 HB2 MET A 98 6.962 -3.260 0.217 1.00 0.00 H new ATOM 0 HB3 MET A 98 5.650 -2.105 0.100 1.00 0.00 H new ATOM 0 HG2 MET A 98 5.911 -2.302 -2.130 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.285 -1.233 -1.926 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.659 -3.807 -4.538 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.011 -3.147 -4.423 1.00 0.00 H new ATOM 0 HE3 MET A 98 8.414 -2.088 -4.147 1.00 0.00 H new ATOM 1603 N VAL A 99 6.568 -1.072 2.836 1.00 0.00 N ATOM 1604 CA VAL A 99 6.469 -1.318 4.270 1.00 0.00 C ATOM 1605 C VAL A 99 6.394 -2.811 4.567 1.00 0.00 C ATOM 1606 O VAL A 99 6.966 -3.290 5.547 1.00 0.00 O ATOM 1607 CB VAL A 99 5.239 -0.620 4.876 1.00 0.00 C ATOM 1608 CG1 VAL A 99 5.454 0.885 4.935 1.00 0.00 C ATOM 1609 CG2 VAL A 99 3.986 -0.959 4.080 1.00 0.00 C ATOM 0 H VAL A 99 5.817 -0.497 2.455 1.00 0.00 H new ATOM 0 HA VAL A 99 7.370 -0.906 4.725 1.00 0.00 H new ATOM 0 HB VAL A 99 5.102 -0.983 5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.574 1.362 5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.325 1.104 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.618 1.269 3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.126 -0.457 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.109 -0.627 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.825 -2.037 4.097 1.00 0.00 H new