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 24 LYS NZ :NH3+ 143:sc=-0.00238 (180deg=-0.491) USER MOD Set 1.2: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 172:sc= 1.2 (180deg=-0.128) USER MOD Set 2.2: A 93 TYR OH : rot 3:sc= 0.157! USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 27 TYR OH : rot -131:sc= 0.398 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -4.17 K(o=-4.2,f=-2.5) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 34:sc= 0.0784 USER MOD Single : A 59 SER OG : rot -85:sc= 0.08 USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.19! USER MOD Single : A 63 LYS NZ :NH3+ 179:sc=-0.000168 (180deg=-0.00375) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -152:sc= -0.912 (180deg=-2.31!) USER MOD Single : A 68 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.5) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.607) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -5.73! C(o=-5.7!,f=-10!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 177:sc= -0.0834 (180deg=-0.103) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 133 N LYS A 9 1.501 6.665 -13.093 1.00 0.00 N ATOM 134 CA LYS A 9 2.236 6.864 -11.850 1.00 0.00 C ATOM 135 C LYS A 9 1.760 8.127 -11.139 1.00 0.00 C ATOM 136 O LYS A 9 1.821 9.224 -11.695 1.00 0.00 O ATOM 137 CB LYS A 9 3.738 6.952 -12.131 1.00 0.00 C ATOM 138 CG LYS A 9 4.567 5.963 -11.327 1.00 0.00 C ATOM 139 CD LYS A 9 4.942 6.527 -9.965 1.00 0.00 C ATOM 140 CE LYS A 9 4.163 5.851 -8.847 1.00 0.00 C ATOM 141 NZ LYS A 9 4.723 4.514 -8.511 1.00 0.00 N ATOM 0 HA LYS A 9 2.048 6.010 -11.200 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.911 6.779 -13.193 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.081 7.963 -11.912 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.006 5.038 -11.197 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.472 5.712 -11.880 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.011 6.394 -9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.748 7.599 -9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.178 6.484 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.120 5.743 -9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.254 4.145 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.563 3.861 -9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.744 4.600 -8.334 1.00 0.00 H new ATOM 155 N GLU A 10 1.287 7.967 -9.907 1.00 0.00 N ATOM 156 CA GLU A 10 0.800 9.097 -9.126 1.00 0.00 C ATOM 157 C GLU A 10 1.327 9.040 -7.692 1.00 0.00 C ATOM 158 O GLU A 10 0.975 8.138 -6.930 1.00 0.00 O ATOM 159 CB GLU A 10 -0.730 9.113 -9.116 1.00 0.00 C ATOM 160 CG GLU A 10 -1.340 9.623 -10.411 1.00 0.00 C ATOM 161 CD GLU A 10 -1.733 8.502 -11.352 1.00 0.00 C ATOM 162 OE1 GLU A 10 -0.999 7.493 -11.413 1.00 0.00 O ATOM 163 OE2 GLU A 10 -2.775 8.632 -12.028 1.00 0.00 O ATOM 0 H GLU A 10 1.231 7.067 -9.429 1.00 0.00 H new ATOM 0 HA GLU A 10 1.166 10.012 -9.592 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.095 8.104 -8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.073 9.738 -8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.219 10.225 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.627 10.278 -10.911 1.00 0.00 H new ATOM 170 N PRO A 11 2.178 10.007 -7.299 1.00 0.00 N ATOM 171 CA PRO A 11 2.745 10.061 -5.954 1.00 0.00 C ATOM 172 C PRO A 11 1.805 10.727 -4.958 1.00 0.00 C ATOM 173 O PRO A 11 0.967 11.547 -5.332 1.00 0.00 O ATOM 174 CB PRO A 11 3.994 10.909 -6.148 1.00 0.00 C ATOM 175 CG PRO A 11 3.640 11.850 -7.250 1.00 0.00 C ATOM 176 CD PRO A 11 2.652 11.127 -8.135 1.00 0.00 C ATOM 0 HA PRO A 11 2.937 9.069 -5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.255 11.446 -5.236 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.854 10.294 -6.412 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.205 12.767 -6.852 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.527 12.137 -7.814 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.831 11.779 -8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.123 10.770 -9.051 1.00 0.00 H new ATOM 184 N ALA A 12 1.954 10.371 -3.691 1.00 0.00 N ATOM 185 CA ALA A 12 1.124 10.934 -2.638 1.00 0.00 C ATOM 186 C ALA A 12 1.710 10.626 -1.268 1.00 0.00 C ATOM 187 O ALA A 12 2.474 9.676 -1.113 1.00 0.00 O ATOM 188 CB ALA A 12 -0.291 10.395 -2.743 1.00 0.00 C ATOM 0 H ALA A 12 2.644 9.693 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 12 1.097 12.017 -2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.903 10.823 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.712 10.664 -3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.275 9.310 -2.643 1.00 0.00 H new ATOM 194 N THR A 13 1.353 11.432 -0.273 1.00 0.00 N ATOM 195 CA THR A 13 1.861 11.225 1.075 1.00 0.00 C ATOM 196 C THR A 13 0.991 10.242 1.849 1.00 0.00 C ATOM 197 O THR A 13 -0.118 10.570 2.267 1.00 0.00 O ATOM 198 CB THR A 13 1.931 12.556 1.823 1.00 0.00 C ATOM 199 OG1 THR A 13 2.467 13.571 0.993 1.00 0.00 O ATOM 200 CG2 THR A 13 2.777 12.496 3.077 1.00 0.00 C ATOM 0 H THR A 13 0.721 12.226 -0.374 1.00 0.00 H new ATOM 0 HA THR A 13 2.863 10.803 0.994 1.00 0.00 H new ATOM 0 HB THR A 13 0.903 12.780 2.108 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.502 14.415 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.784 13.474 3.559 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.361 11.757 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.797 12.214 2.815 1.00 0.00 H new ATOM 208 N LEU A 14 1.522 9.042 2.053 1.00 0.00 N ATOM 209 CA LEU A 14 0.830 7.997 2.793 1.00 0.00 C ATOM 210 C LEU A 14 1.345 7.960 4.225 1.00 0.00 C ATOM 211 O LEU A 14 2.479 7.550 4.473 1.00 0.00 O ATOM 212 CB LEU A 14 1.046 6.640 2.113 1.00 0.00 C ATOM 213 CG LEU A 14 0.669 5.401 2.939 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.797 5.023 3.885 1.00 0.00 C ATOM 215 CD2 LEU A 14 -0.625 5.625 3.712 1.00 0.00 C ATOM 0 H LEU A 14 2.443 8.768 1.710 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.239 8.211 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.469 6.624 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.097 6.560 1.834 1.00 0.00 H new ATOM 0 HG LEU A 14 0.507 4.576 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.510 4.143 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.696 4.802 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.995 5.852 4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.865 4.730 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.502 6.470 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.435 5.835 3.013 1.00 0.00 H new ATOM 227 N ILE A 15 0.525 8.410 5.163 1.00 0.00 N ATOM 228 CA ILE A 15 0.934 8.436 6.558 1.00 0.00 C ATOM 229 C ILE A 15 -0.045 7.705 7.478 1.00 0.00 C ATOM 230 O ILE A 15 0.266 7.455 8.639 1.00 0.00 O ATOM 231 CB ILE A 15 1.108 9.888 7.055 1.00 0.00 C ATOM 232 CG1 ILE A 15 -0.256 10.544 7.281 1.00 0.00 C ATOM 233 CG2 ILE A 15 1.930 10.697 6.062 1.00 0.00 C ATOM 234 CD1 ILE A 15 -0.844 10.242 8.644 1.00 0.00 C ATOM 0 H ILE A 15 -0.417 8.758 4.986 1.00 0.00 H new ATOM 0 HA ILE A 15 1.889 7.912 6.601 1.00 0.00 H new ATOM 0 HB ILE A 15 1.641 9.865 8.005 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.156 11.623 7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.948 10.204 6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.042 11.717 6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.914 10.242 5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.423 10.712 5.097 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.811 10.736 8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.974 9.165 8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.171 10.607 9.420 1.00 0.00 H new ATOM 246 N LYS A 16 -1.235 7.387 6.979 1.00 0.00 N ATOM 247 CA LYS A 16 -2.234 6.718 7.806 1.00 0.00 C ATOM 248 C LYS A 16 -2.523 5.297 7.334 1.00 0.00 C ATOM 249 O LYS A 16 -2.923 5.076 6.193 1.00 0.00 O ATOM 250 CB LYS A 16 -3.531 7.529 7.822 1.00 0.00 C ATOM 251 CG LYS A 16 -4.246 7.507 9.162 1.00 0.00 C ATOM 252 CD LYS A 16 -3.756 8.620 10.074 1.00 0.00 C ATOM 253 CE LYS A 16 -4.398 8.535 11.450 1.00 0.00 C ATOM 254 NZ LYS A 16 -3.765 7.485 12.294 1.00 0.00 N ATOM 0 H LYS A 16 -1.529 7.578 6.021 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.823 6.652 8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.307 8.562 7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.202 7.141 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.320 7.611 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.086 6.543 9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.672 8.561 10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.983 9.587 9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.316 9.500 11.949 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.461 8.322 11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.231 7.459 13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.866 6.560 11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.756 7.702 12.419 1.00 0.00 H new ATOM 268 N ALA A 17 -2.337 4.340 8.238 1.00 0.00 N ATOM 269 CA ALA A 17 -2.598 2.936 7.938 1.00 0.00 C ATOM 270 C ALA A 17 -3.783 2.434 8.754 1.00 0.00 C ATOM 271 O ALA A 17 -3.663 2.188 9.954 1.00 0.00 O ATOM 272 CB ALA A 17 -1.366 2.093 8.218 1.00 0.00 C ATOM 0 H ALA A 17 -2.005 4.512 9.187 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.841 2.847 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.580 1.049 7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.540 2.439 7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.094 2.185 9.269 1.00 0.00 H new ATOM 278 N ILE A 18 -4.932 2.301 8.102 1.00 0.00 N ATOM 279 CA ILE A 18 -6.146 1.850 8.773 1.00 0.00 C ATOM 280 C ILE A 18 -6.004 0.430 9.326 1.00 0.00 C ATOM 281 O ILE A 18 -5.745 0.248 10.516 1.00 0.00 O ATOM 282 CB ILE A 18 -7.367 1.923 7.832 1.00 0.00 C ATOM 283 CG1 ILE A 18 -7.526 3.342 7.283 1.00 0.00 C ATOM 284 CG2 ILE A 18 -8.632 1.489 8.560 1.00 0.00 C ATOM 285 CD1 ILE A 18 -8.336 3.409 6.007 1.00 0.00 C ATOM 0 H ILE A 18 -5.049 2.499 7.108 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.305 2.527 9.612 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.203 1.241 6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.003 3.964 8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.538 3.765 7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.482 1.547 7.880 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.517 0.463 8.909 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.804 2.145 9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.408 4.445 5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.848 2.814 5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.336 3.017 6.190 1.00 0.00 H new ATOM 297 N ASP A 19 -6.195 -0.575 8.472 1.00 0.00 N ATOM 298 CA ASP A 19 -6.104 -1.967 8.908 1.00 0.00 C ATOM 299 C ASP A 19 -4.987 -2.721 8.190 1.00 0.00 C ATOM 300 O ASP A 19 -5.162 -3.876 7.798 1.00 0.00 O ATOM 301 CB ASP A 19 -7.441 -2.677 8.677 1.00 0.00 C ATOM 302 CG ASP A 19 -8.457 -2.362 9.757 1.00 0.00 C ATOM 303 OD1 ASP A 19 -8.237 -2.770 10.917 1.00 0.00 O ATOM 304 OD2 ASP A 19 -9.473 -1.708 9.443 1.00 0.00 O ATOM 0 H ASP A 19 -6.412 -0.453 7.483 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.868 -1.961 9.972 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.843 -2.383 7.707 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.276 -3.754 8.640 1.00 0.00 H new ATOM 309 N GLY A 20 -3.836 -2.076 8.025 1.00 0.00 N ATOM 310 CA GLY A 20 -2.715 -2.722 7.362 1.00 0.00 C ATOM 311 C GLY A 20 -2.803 -2.661 5.847 1.00 0.00 C ATOM 312 O GLY A 20 -1.826 -2.318 5.181 1.00 0.00 O ATOM 0 H GLY A 20 -3.659 -1.121 8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.788 -2.249 7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.667 -3.765 7.675 1.00 0.00 H new ATOM 316 N ASP A 21 -3.971 -2.988 5.299 1.00 0.00 N ATOM 317 CA ASP A 21 -4.170 -2.962 3.857 1.00 0.00 C ATOM 318 C ASP A 21 -4.809 -1.645 3.443 1.00 0.00 C ATOM 319 O ASP A 21 -4.425 -1.042 2.440 1.00 0.00 O ATOM 320 CB ASP A 21 -5.051 -4.134 3.417 1.00 0.00 C ATOM 321 CG ASP A 21 -4.522 -5.469 3.902 1.00 0.00 C ATOM 322 OD1 ASP A 21 -3.301 -5.573 4.144 1.00 0.00 O ATOM 323 OD2 ASP A 21 -5.329 -6.414 4.040 1.00 0.00 O ATOM 0 H ASP A 21 -4.792 -3.273 5.833 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.199 -3.055 3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.062 -3.987 3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.118 -4.146 2.329 1.00 0.00 H new ATOM 328 N THR A 22 -5.772 -1.192 4.237 1.00 0.00 N ATOM 329 CA THR A 22 -6.449 0.067 3.971 1.00 0.00 C ATOM 330 C THR A 22 -5.616 1.224 4.508 1.00 0.00 C ATOM 331 O THR A 22 -5.521 1.422 5.718 1.00 0.00 O ATOM 332 CB THR A 22 -7.838 0.074 4.612 1.00 0.00 C ATOM 333 OG1 THR A 22 -7.810 -0.567 5.876 1.00 0.00 O ATOM 334 CG2 THR A 22 -8.888 -0.619 3.771 1.00 0.00 C ATOM 0 H THR A 22 -6.100 -1.680 5.070 1.00 0.00 H new ATOM 0 HA THR A 22 -6.567 0.182 2.894 1.00 0.00 H new ATOM 0 HB THR A 22 -8.107 1.126 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.707 -0.551 6.271 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.849 -0.578 4.283 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.969 -0.119 2.806 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.603 -1.660 3.618 1.00 0.00 H new ATOM 342 N VAL A 23 -4.995 1.973 3.607 1.00 0.00 N ATOM 343 CA VAL A 23 -4.154 3.093 4.005 1.00 0.00 C ATOM 344 C VAL A 23 -4.638 4.404 3.400 1.00 0.00 C ATOM 345 O VAL A 23 -5.300 4.419 2.365 1.00 0.00 O ATOM 346 CB VAL A 23 -2.691 2.861 3.589 1.00 0.00 C ATOM 347 CG1 VAL A 23 -2.128 1.627 4.277 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.577 2.735 2.076 1.00 0.00 C ATOM 0 H VAL A 23 -5.057 1.826 2.600 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.218 3.161 5.091 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.104 3.724 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.093 1.480 3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.170 1.762 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.717 0.754 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.535 2.571 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.178 1.892 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.936 3.651 1.607 1.00 0.00 H new ATOM 358 N LYS A 24 -4.294 5.504 4.056 1.00 0.00 N ATOM 359 CA LYS A 24 -4.681 6.827 3.587 1.00 0.00 C ATOM 360 C LYS A 24 -3.458 7.621 3.142 1.00 0.00 C ATOM 361 O LYS A 24 -2.499 7.773 3.898 1.00 0.00 O ATOM 362 CB LYS A 24 -5.427 7.586 4.694 1.00 0.00 C ATOM 363 CG LYS A 24 -4.711 8.844 5.176 1.00 0.00 C ATOM 364 CD LYS A 24 -5.511 9.567 6.249 1.00 0.00 C ATOM 365 CE LYS A 24 -5.033 10.999 6.431 1.00 0.00 C ATOM 366 NZ LYS A 24 -5.670 11.925 5.455 1.00 0.00 N ATOM 0 H LYS A 24 -3.746 5.506 4.917 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.345 6.706 2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.416 7.861 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.575 6.917 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.731 8.577 5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.544 9.514 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.567 9.566 5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.423 9.030 7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.257 11.330 7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.950 11.038 6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.859 12.838 5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.032 12.070 4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.565 11.515 5.120 1.00 0.00 H new ATOM 380 N LEU A 25 -3.505 8.149 1.927 1.00 0.00 N ATOM 381 CA LEU A 25 -2.403 8.950 1.414 1.00 0.00 C ATOM 382 C LEU A 25 -2.931 10.222 0.766 1.00 0.00 C ATOM 383 O LEU A 25 -3.978 10.203 0.124 1.00 0.00 O ATOM 384 CB LEU A 25 -1.549 8.148 0.415 1.00 0.00 C ATOM 385 CG LEU A 25 -2.247 7.626 -0.842 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.726 8.761 -1.737 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.305 6.716 -1.615 1.00 0.00 C ATOM 0 H LEU A 25 -4.288 8.038 1.283 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.764 9.224 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.716 8.777 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.123 7.295 0.944 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.125 7.063 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.216 8.347 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.432 9.384 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.873 9.365 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.808 6.347 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.415 7.275 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.017 5.873 -0.987 1.00 0.00 H new ATOM 399 N MET A 26 -2.203 11.321 0.929 1.00 0.00 N ATOM 400 CA MET A 26 -2.617 12.592 0.341 1.00 0.00 C ATOM 401 C MET A 26 -2.407 12.547 -1.167 1.00 0.00 C ATOM 402 O MET A 26 -1.293 12.726 -1.659 1.00 0.00 O ATOM 403 CB MET A 26 -1.820 13.748 0.951 1.00 0.00 C ATOM 404 CG MET A 26 -2.618 14.575 1.949 1.00 0.00 C ATOM 405 SD MET A 26 -1.733 14.844 3.497 1.00 0.00 S ATOM 406 CE MET A 26 -2.995 14.404 4.690 1.00 0.00 C ATOM 0 H MET A 26 -1.332 11.360 1.458 1.00 0.00 H new ATOM 0 HA MET A 26 -3.674 12.754 0.553 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.936 13.347 1.447 1.00 0.00 H new ATOM 0 HB3 MET A 26 -1.468 14.399 0.150 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.862 15.539 1.503 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.562 14.072 2.158 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.598 14.519 5.699 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.859 15.056 4.563 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.297 13.368 4.535 1.00 0.00 H new ATOM 416 N TYR A 27 -3.487 12.288 -1.892 1.00 0.00 N ATOM 417 CA TYR A 27 -3.436 12.190 -3.344 1.00 0.00 C ATOM 418 C TYR A 27 -3.764 13.528 -4.002 1.00 0.00 C ATOM 419 O TYR A 27 -4.918 13.955 -4.022 1.00 0.00 O ATOM 420 CB TYR A 27 -4.410 11.108 -3.813 1.00 0.00 C ATOM 421 CG TYR A 27 -4.481 10.949 -5.311 1.00 0.00 C ATOM 422 CD1 TYR A 27 -5.322 11.747 -6.071 1.00 0.00 C ATOM 423 CD2 TYR A 27 -3.713 9.992 -5.963 1.00 0.00 C ATOM 424 CE1 TYR A 27 -5.399 11.601 -7.440 1.00 0.00 C ATOM 425 CE2 TYR A 27 -3.780 9.839 -7.334 1.00 0.00 C ATOM 426 CZ TYR A 27 -4.626 10.645 -8.069 1.00 0.00 C ATOM 427 OH TYR A 27 -4.699 10.496 -9.435 1.00 0.00 O ATOM 0 H TYR A 27 -4.415 12.141 -1.495 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.422 11.920 -3.641 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.118 10.155 -3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.405 11.343 -3.436 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.927 12.496 -5.582 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.054 9.358 -5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.060 12.231 -8.017 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.174 9.094 -7.828 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.823 9.549 -9.655 1.00 0.00 H new ATOM 437 N LYS A 28 -2.736 14.183 -4.538 1.00 0.00 N ATOM 438 CA LYS A 28 -2.909 15.475 -5.198 1.00 0.00 C ATOM 439 C LYS A 28 -3.693 16.437 -4.310 1.00 0.00 C ATOM 440 O LYS A 28 -4.726 16.972 -4.714 1.00 0.00 O ATOM 441 CB LYS A 28 -3.625 15.297 -6.539 1.00 0.00 C ATOM 442 CG LYS A 28 -3.831 16.600 -7.296 1.00 0.00 C ATOM 443 CD LYS A 28 -3.502 16.448 -8.772 1.00 0.00 C ATOM 444 CE LYS A 28 -2.924 17.732 -9.348 1.00 0.00 C ATOM 445 NZ LYS A 28 -3.952 18.528 -10.071 1.00 0.00 N ATOM 0 H LYS A 28 -1.775 13.840 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.921 15.899 -5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.049 14.612 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.595 14.830 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.865 16.926 -7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.203 17.377 -6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.789 15.635 -8.905 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.403 16.175 -9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.500 18.332 -8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.108 17.489 -10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.518 19.395 -10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.339 17.965 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.719 18.782 -9.416 1.00 0.00 H new ATOM 459 N GLY A 29 -3.200 16.641 -3.094 1.00 0.00 N ATOM 460 CA GLY A 29 -3.873 17.527 -2.163 1.00 0.00 C ATOM 461 C GLY A 29 -5.224 16.986 -1.731 1.00 0.00 C ATOM 462 O GLY A 29 -6.031 17.709 -1.148 1.00 0.00 O ATOM 0 H GLY A 29 -2.348 16.210 -2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.244 17.673 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.006 18.505 -2.626 1.00 0.00 H new ATOM 466 N GLN A 30 -5.470 15.711 -2.020 1.00 0.00 N ATOM 467 CA GLN A 30 -6.729 15.073 -1.660 1.00 0.00 C ATOM 468 C GLN A 30 -6.483 13.627 -1.217 1.00 0.00 C ATOM 469 O GLN A 30 -6.347 12.730 -2.048 1.00 0.00 O ATOM 470 CB GLN A 30 -7.696 15.146 -2.862 1.00 0.00 C ATOM 471 CG GLN A 30 -8.524 13.890 -3.123 1.00 0.00 C ATOM 472 CD GLN A 30 -7.991 13.072 -4.282 1.00 0.00 C ATOM 473 OE1 GLN A 30 -7.852 13.572 -5.398 1.00 0.00 O ATOM 474 NE2 GLN A 30 -7.692 11.804 -4.024 1.00 0.00 N ATOM 0 H GLN A 30 -4.812 15.100 -2.503 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.184 15.596 -0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.378 15.982 -2.706 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.117 15.370 -3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.537 13.274 -2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.556 14.175 -3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.823 11.430 -3.084 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.332 11.204 -4.766 1.00 0.00 H new ATOM 483 N PRO A 31 -6.410 13.382 0.105 1.00 0.00 N ATOM 484 CA PRO A 31 -6.171 12.041 0.647 1.00 0.00 C ATOM 485 C PRO A 31 -7.330 11.081 0.396 1.00 0.00 C ATOM 486 O PRO A 31 -8.494 11.478 0.379 1.00 0.00 O ATOM 487 CB PRO A 31 -5.998 12.284 2.149 1.00 0.00 C ATOM 488 CG PRO A 31 -6.713 13.562 2.412 1.00 0.00 C ATOM 489 CD PRO A 31 -6.533 14.390 1.172 1.00 0.00 C ATOM 0 HA PRO A 31 -5.311 11.569 0.172 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.421 11.467 2.733 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.945 12.357 2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.769 13.385 2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.301 14.069 3.285 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.382 15.052 1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.646 15.020 1.234 1.00 0.00 H new ATOM 497 N MET A 32 -6.992 9.810 0.199 1.00 0.00 N ATOM 498 CA MET A 32 -7.985 8.770 -0.054 1.00 0.00 C ATOM 499 C MET A 32 -7.546 7.452 0.575 1.00 0.00 C ATOM 500 O MET A 32 -6.371 7.262 0.880 1.00 0.00 O ATOM 501 CB MET A 32 -8.182 8.587 -1.560 1.00 0.00 C ATOM 502 CG MET A 32 -9.134 9.599 -2.177 1.00 0.00 C ATOM 503 SD MET A 32 -10.867 9.183 -1.906 1.00 0.00 S ATOM 504 CE MET A 32 -11.665 10.687 -2.459 1.00 0.00 C ATOM 0 H MET A 32 -6.029 9.473 0.210 1.00 0.00 H new ATOM 0 HA MET A 32 -8.930 9.076 0.395 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.214 8.662 -2.056 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.561 7.582 -1.749 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.932 10.584 -1.757 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.944 9.664 -3.248 1.00 0.00 H new ATOM 0 HE1 MET A 32 -12.745 10.586 -2.353 1.00 0.00 H new ATOM 0 HE2 MET A 32 -11.318 11.526 -1.856 1.00 0.00 H new ATOM 0 HE3 MET A 32 -11.418 10.866 -3.505 1.00 0.00 H new ATOM 514 N THR A 33 -8.495 6.542 0.762 1.00 0.00 N ATOM 515 CA THR A 33 -8.193 5.244 1.348 1.00 0.00 C ATOM 516 C THR A 33 -7.864 4.232 0.260 1.00 0.00 C ATOM 517 O THR A 33 -8.639 4.038 -0.676 1.00 0.00 O ATOM 518 CB THR A 33 -9.373 4.743 2.180 1.00 0.00 C ATOM 519 OG1 THR A 33 -10.583 4.860 1.456 1.00 0.00 O ATOM 520 CG2 THR A 33 -9.544 5.485 3.487 1.00 0.00 C ATOM 0 H THR A 33 -9.476 6.679 0.517 1.00 0.00 H new ATOM 0 HA THR A 33 -7.326 5.359 1.999 1.00 0.00 H new ATOM 0 HB THR A 33 -9.146 3.700 2.402 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.410 4.709 0.503 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.399 5.079 4.027 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.645 5.369 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.712 6.543 3.286 1.00 0.00 H new ATOM 528 N PHE A 34 -6.709 3.591 0.384 1.00 0.00 N ATOM 529 CA PHE A 34 -6.282 2.603 -0.594 1.00 0.00 C ATOM 530 C PHE A 34 -6.290 1.202 0.009 1.00 0.00 C ATOM 531 O PHE A 34 -5.662 0.950 1.036 1.00 0.00 O ATOM 532 CB PHE A 34 -4.891 2.944 -1.125 1.00 0.00 C ATOM 533 CG PHE A 34 -4.815 4.316 -1.721 1.00 0.00 C ATOM 534 CD1 PHE A 34 -5.011 5.436 -0.930 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.555 4.486 -3.071 1.00 0.00 C ATOM 536 CE1 PHE A 34 -4.947 6.699 -1.473 1.00 0.00 C ATOM 537 CE2 PHE A 34 -4.489 5.753 -3.619 1.00 0.00 C ATOM 538 CZ PHE A 34 -4.685 6.860 -2.813 1.00 0.00 C ATOM 0 H PHE A 34 -6.053 3.738 1.151 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.988 2.621 -1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.168 2.866 -0.313 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.605 2.210 -1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.216 5.317 0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.403 3.622 -3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.103 7.564 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.285 5.878 -4.672 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.632 7.852 -3.237 1.00 0.00 H new ATOM 548 N ARG A 35 -7.019 0.301 -0.638 1.00 0.00 N ATOM 549 CA ARG A 35 -7.137 -1.075 -0.176 1.00 0.00 C ATOM 550 C ARG A 35 -6.380 -2.033 -1.096 1.00 0.00 C ATOM 551 O ARG A 35 -6.890 -2.429 -2.143 1.00 0.00 O ATOM 552 CB ARG A 35 -8.617 -1.455 -0.118 1.00 0.00 C ATOM 553 CG ARG A 35 -8.877 -2.952 -0.007 1.00 0.00 C ATOM 554 CD ARG A 35 -9.538 -3.500 -1.263 1.00 0.00 C ATOM 555 NE ARG A 35 -9.502 -4.959 -1.309 1.00 0.00 N ATOM 556 CZ ARG A 35 -10.298 -5.743 -0.584 1.00 0.00 C ATOM 557 NH1 ARG A 35 -11.188 -5.213 0.246 1.00 0.00 N ATOM 558 NH2 ARG A 35 -10.204 -7.061 -0.690 1.00 0.00 N ATOM 0 H ARG A 35 -7.541 0.502 -1.491 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.695 -1.154 0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.075 -0.954 0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.112 -1.078 -1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.936 -3.474 0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.514 -3.148 0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.573 -3.162 -1.305 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.035 -3.097 -2.142 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.828 -5.404 -1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.265 -4.200 0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.795 -5.819 0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.522 -7.474 -1.326 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.813 -7.662 -0.135 1.00 0.00 H new ATOM 572 N LEU A 36 -5.167 -2.412 -0.692 1.00 0.00 N ATOM 573 CA LEU A 36 -4.348 -3.337 -1.478 1.00 0.00 C ATOM 574 C LEU A 36 -2.926 -3.411 -0.938 1.00 0.00 C ATOM 575 O LEU A 36 -2.419 -2.454 -0.354 1.00 0.00 O ATOM 576 CB LEU A 36 -4.315 -2.926 -2.955 1.00 0.00 C ATOM 577 CG LEU A 36 -4.719 -4.027 -3.941 1.00 0.00 C ATOM 578 CD1 LEU A 36 -6.138 -3.803 -4.442 1.00 0.00 C ATOM 579 CD2 LEU A 36 -3.743 -4.085 -5.108 1.00 0.00 C ATOM 0 H LEU A 36 -4.730 -2.094 0.173 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.806 -4.322 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.979 -2.073 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.308 -2.590 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.687 -4.983 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.406 -4.595 -5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.828 -3.815 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.198 -2.839 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.047 -4.873 -5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.742 -3.128 -5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.741 -4.296 -4.734 1.00 0.00 H new ATOM 900 N PRO A 56 4.500 -3.954 14.614 1.00 0.00 N ATOM 901 CA PRO A 56 4.217 -2.574 14.220 1.00 0.00 C ATOM 902 C PRO A 56 4.583 -2.260 12.768 1.00 0.00 C ATOM 903 O PRO A 56 4.365 -1.146 12.294 1.00 0.00 O ATOM 904 CB PRO A 56 5.119 -1.786 15.161 1.00 0.00 C ATOM 905 CG PRO A 56 6.309 -2.662 15.383 1.00 0.00 C ATOM 906 CD PRO A 56 5.851 -4.087 15.190 1.00 0.00 C ATOM 0 HA PRO A 56 3.153 -2.345 14.284 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.409 -0.831 14.722 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.612 -1.564 16.100 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.106 -2.415 14.682 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.711 -2.519 16.386 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.517 -4.633 14.522 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.830 -4.631 16.134 1.00 0.00 H new ATOM 914 N GLU A 57 5.166 -3.230 12.078 1.00 0.00 N ATOM 915 CA GLU A 57 5.595 -3.043 10.694 1.00 0.00 C ATOM 916 C GLU A 57 4.455 -2.634 9.751 1.00 0.00 C ATOM 917 O GLU A 57 4.708 -2.210 8.624 1.00 0.00 O ATOM 918 CB GLU A 57 6.258 -4.320 10.177 1.00 0.00 C ATOM 919 CG GLU A 57 7.636 -4.085 9.585 1.00 0.00 C ATOM 920 CD GLU A 57 8.746 -4.667 10.440 1.00 0.00 C ATOM 921 OE1 GLU A 57 8.510 -5.707 11.090 1.00 0.00 O ATOM 922 OE2 GLU A 57 9.849 -4.082 10.459 1.00 0.00 O ATOM 0 H GLU A 57 5.355 -4.159 12.454 1.00 0.00 H new ATOM 0 HA GLU A 57 6.308 -2.219 10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.339 -5.036 10.995 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.618 -4.773 9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.680 -4.527 8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.798 -3.014 9.466 1.00 0.00 H new ATOM 929 N ALA A 58 3.208 -2.771 10.188 1.00 0.00 N ATOM 930 CA ALA A 58 2.076 -2.416 9.339 1.00 0.00 C ATOM 931 C ALA A 58 1.631 -0.971 9.526 1.00 0.00 C ATOM 932 O ALA A 58 1.718 -0.163 8.604 1.00 0.00 O ATOM 933 CB ALA A 58 0.910 -3.358 9.586 1.00 0.00 C ATOM 0 H ALA A 58 2.957 -3.121 11.113 1.00 0.00 H new ATOM 0 HA ALA A 58 2.413 -2.517 8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.074 -3.079 8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.214 -4.380 9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.604 -3.292 10.630 1.00 0.00 H new ATOM 939 N SER A 59 1.129 -0.657 10.715 1.00 0.00 N ATOM 940 CA SER A 59 0.640 0.686 11.008 1.00 0.00 C ATOM 941 C SER A 59 1.750 1.598 11.524 1.00 0.00 C ATOM 942 O SER A 59 1.648 2.821 11.424 1.00 0.00 O ATOM 943 CB SER A 59 -0.494 0.621 12.033 1.00 0.00 C ATOM 944 OG SER A 59 -1.690 0.145 11.440 1.00 0.00 O ATOM 0 H SER A 59 1.050 -1.314 11.492 1.00 0.00 H new ATOM 0 HA SER A 59 0.269 1.109 10.074 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.207 -0.033 12.856 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.663 1.611 12.456 1.00 0.00 H new ATOM 0 HG SER A 59 -2.166 0.891 11.019 1.00 0.00 H new ATOM 950 N ALA A 60 2.799 1.009 12.084 1.00 0.00 N ATOM 951 CA ALA A 60 3.907 1.793 12.617 1.00 0.00 C ATOM 952 C ALA A 60 4.968 2.068 11.557 1.00 0.00 C ATOM 953 O ALA A 60 5.430 3.200 11.419 1.00 0.00 O ATOM 954 CB ALA A 60 4.521 1.096 13.818 1.00 0.00 C ATOM 0 H ALA A 60 2.906 -0.001 12.181 1.00 0.00 H new ATOM 0 HA ALA A 60 3.506 2.755 12.935 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.346 1.695 14.203 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.766 0.977 14.595 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.892 0.116 13.519 1.00 0.00 H new ATOM 960 N PHE A 61 5.351 1.040 10.801 1.00 0.00 N ATOM 961 CA PHE A 61 6.355 1.217 9.759 1.00 0.00 C ATOM 962 C PHE A 61 5.832 2.163 8.692 1.00 0.00 C ATOM 963 O PHE A 61 6.497 3.125 8.312 1.00 0.00 O ATOM 964 CB PHE A 61 6.720 -0.127 9.134 1.00 0.00 C ATOM 965 CG PHE A 61 8.138 -0.540 9.387 1.00 0.00 C ATOM 966 CD1 PHE A 61 8.542 -0.948 10.649 1.00 0.00 C ATOM 967 CD2 PHE A 61 9.069 -0.518 8.363 1.00 0.00 C ATOM 968 CE1 PHE A 61 9.849 -1.329 10.881 1.00 0.00 C ATOM 969 CE2 PHE A 61 10.377 -0.897 8.589 1.00 0.00 C ATOM 970 CZ PHE A 61 10.767 -1.303 9.848 1.00 0.00 C ATOM 0 H PHE A 61 4.987 0.091 10.889 1.00 0.00 H new ATOM 0 HA PHE A 61 7.252 1.645 10.207 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.052 -0.894 9.525 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.551 -0.076 8.058 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.828 -0.968 11.459 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.769 -0.201 7.375 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.153 -1.647 11.867 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.094 -0.876 7.781 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.790 -1.601 10.027 1.00 0.00 H new ATOM 980 N THR A 62 4.624 1.880 8.222 1.00 0.00 N ATOM 981 CA THR A 62 3.981 2.697 7.204 1.00 0.00 C ATOM 982 C THR A 62 4.027 4.181 7.584 1.00 0.00 C ATOM 983 O THR A 62 4.099 5.053 6.718 1.00 0.00 O ATOM 984 CB THR A 62 2.535 2.225 7.010 1.00 0.00 C ATOM 985 OG1 THR A 62 2.040 2.627 5.746 1.00 0.00 O ATOM 986 CG2 THR A 62 1.575 2.738 8.064 1.00 0.00 C ATOM 0 H THR A 62 4.067 1.084 8.533 1.00 0.00 H new ATOM 0 HA THR A 62 4.521 2.584 6.264 1.00 0.00 H new ATOM 0 HB THR A 62 2.582 1.139 7.092 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.117 2.315 5.642 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.573 2.361 7.858 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.897 2.395 9.047 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.563 3.828 8.046 1.00 0.00 H new ATOM 994 N LYS A 63 3.988 4.453 8.888 1.00 0.00 N ATOM 995 CA LYS A 63 4.029 5.817 9.398 1.00 0.00 C ATOM 996 C LYS A 63 5.463 6.332 9.477 1.00 0.00 C ATOM 997 O LYS A 63 5.741 7.481 9.139 1.00 0.00 O ATOM 998 CB LYS A 63 3.384 5.875 10.784 1.00 0.00 C ATOM 999 CG LYS A 63 1.920 6.269 10.756 1.00 0.00 C ATOM 1000 CD LYS A 63 1.505 6.961 12.044 1.00 0.00 C ATOM 1001 CE LYS A 63 0.159 7.651 11.898 1.00 0.00 C ATOM 1002 NZ LYS A 63 0.308 9.107 11.622 1.00 0.00 N ATOM 0 H LYS A 63 3.928 3.738 9.613 1.00 0.00 H new ATOM 0 HA LYS A 63 3.473 6.453 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.480 4.900 11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.932 6.587 11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.737 6.932 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.306 5.381 10.604 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.454 6.230 12.851 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.262 7.694 12.325 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.403 7.184 11.089 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.421 7.512 12.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.632 9.538 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.807 9.561 12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.854 9.240 10.747 1.00 0.00 H new ATOM 1016 N LYS A 64 6.369 5.474 9.937 1.00 0.00 N ATOM 1017 CA LYS A 64 7.775 5.842 10.070 1.00 0.00 C ATOM 1018 C LYS A 64 8.451 5.944 8.707 1.00 0.00 C ATOM 1019 O LYS A 64 9.385 6.725 8.524 1.00 0.00 O ATOM 1020 CB LYS A 64 8.511 4.819 10.938 1.00 0.00 C ATOM 1021 CG LYS A 64 8.230 4.965 12.424 1.00 0.00 C ATOM 1022 CD LYS A 64 9.185 4.125 13.259 1.00 0.00 C ATOM 1023 CE LYS A 64 9.834 4.946 14.362 1.00 0.00 C ATOM 1024 NZ LYS A 64 11.200 5.404 13.983 1.00 0.00 N ATOM 0 H LYS A 64 6.155 4.519 10.224 1.00 0.00 H new ATOM 0 HA LYS A 64 7.820 6.820 10.549 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.228 3.815 10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.583 4.916 10.769 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.320 6.013 12.711 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.203 4.665 12.632 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.644 3.287 13.699 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.957 3.704 12.616 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.210 5.811 14.586 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.891 4.350 15.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.608 5.960 14.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.803 4.578 13.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.144 5.994 13.128 1.00 0.00 H new ATOM 1038 N MET A 65 7.976 5.148 7.755 1.00 0.00 N ATOM 1039 CA MET A 65 8.540 5.146 6.411 1.00 0.00 C ATOM 1040 C MET A 65 8.235 6.452 5.685 1.00 0.00 C ATOM 1041 O MET A 65 9.087 6.995 4.982 1.00 0.00 O ATOM 1042 CB MET A 65 7.995 3.960 5.611 1.00 0.00 C ATOM 1043 CG MET A 65 9.069 3.183 4.868 1.00 0.00 C ATOM 1044 SD MET A 65 9.886 1.958 5.908 1.00 0.00 S ATOM 1045 CE MET A 65 11.112 2.972 6.729 1.00 0.00 C ATOM 0 H MET A 65 7.203 4.497 7.889 1.00 0.00 H new ATOM 0 HA MET A 65 9.622 5.051 6.499 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.473 3.285 6.289 1.00 0.00 H new ATOM 0 HB3 MET A 65 7.259 4.324 4.894 1.00 0.00 H new ATOM 0 HG2 MET A 65 8.622 2.684 4.009 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.813 3.879 4.481 1.00 0.00 H new ATOM 0 HE1 MET A 65 11.973 2.359 6.994 1.00 0.00 H new ATOM 0 HE2 MET A 65 11.428 3.773 6.061 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.682 3.403 7.633 1.00 0.00 H new ATOM 1055 N VAL A 66 7.015 6.952 5.856 1.00 0.00 N ATOM 1056 CA VAL A 66 6.604 8.193 5.212 1.00 0.00 C ATOM 1057 C VAL A 66 7.059 9.407 6.016 1.00 0.00 C ATOM 1058 O VAL A 66 7.308 10.476 5.456 1.00 0.00 O ATOM 1059 CB VAL A 66 5.074 8.249 5.023 1.00 0.00 C ATOM 1060 CG1 VAL A 66 4.360 8.170 6.365 1.00 0.00 C ATOM 1061 CG2 VAL A 66 4.673 9.509 4.267 1.00 0.00 C ATOM 0 H VAL A 66 6.296 6.517 6.434 1.00 0.00 H new ATOM 0 HA VAL A 66 7.080 8.216 4.232 1.00 0.00 H new ATOM 0 HB VAL A 66 4.771 7.386 4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.282 8.211 6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.618 7.234 6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.667 9.008 6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.590 9.530 4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.992 10.387 4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.150 9.513 3.287 1.00 0.00 H new ATOM 1071 N GLU A 67 7.164 9.239 7.330 1.00 0.00 N ATOM 1072 CA GLU A 67 7.590 10.326 8.207 1.00 0.00 C ATOM 1073 C GLU A 67 9.105 10.526 8.157 1.00 0.00 C ATOM 1074 O GLU A 67 9.625 11.499 8.702 1.00 0.00 O ATOM 1075 CB GLU A 67 7.151 10.046 9.646 1.00 0.00 C ATOM 1076 CG GLU A 67 5.714 10.449 9.934 1.00 0.00 C ATOM 1077 CD GLU A 67 5.614 11.571 10.950 1.00 0.00 C ATOM 1078 OE1 GLU A 67 6.404 11.567 11.918 1.00 0.00 O ATOM 1079 OE2 GLU A 67 4.745 12.451 10.780 1.00 0.00 O ATOM 0 H GLU A 67 6.961 8.363 7.811 1.00 0.00 H new ATOM 0 HA GLU A 67 7.116 11.242 7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.269 8.982 9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.813 10.579 10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.235 10.761 9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.164 9.582 10.301 1.00 0.00 H new ATOM 1086 N ASN A 68 9.811 9.602 7.506 1.00 0.00 N ATOM 1087 CA ASN A 68 11.264 9.690 7.399 1.00 0.00 C ATOM 1088 C ASN A 68 11.699 9.981 5.964 1.00 0.00 C ATOM 1089 O ASN A 68 12.750 10.580 5.735 1.00 0.00 O ATOM 1090 CB ASN A 68 11.910 8.390 7.883 1.00 0.00 C ATOM 1091 CG ASN A 68 11.632 8.117 9.348 1.00 0.00 C ATOM 1092 OD1 ASN A 68 11.187 9.000 10.082 1.00 0.00 O ATOM 1093 ND2 ASN A 68 11.893 6.889 9.780 1.00 0.00 N ATOM 0 H ASN A 68 9.401 8.788 7.047 1.00 0.00 H new ATOM 0 HA ASN A 68 11.595 10.515 8.030 1.00 0.00 H new ATOM 0 HB2 ASN A 68 11.539 7.558 7.284 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.987 8.441 7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.725 6.645 10.756 1.00 0.00 H new ATOM 0 HD22 ASN A 68 12.261 6.189 9.136 1.00 0.00 H new ATOM 1100 N ALA A 69 10.888 9.553 5.002 1.00 0.00 N ATOM 1101 CA ALA A 69 11.197 9.768 3.594 1.00 0.00 C ATOM 1102 C ALA A 69 10.281 10.823 2.984 1.00 0.00 C ATOM 1103 O ALA A 69 9.091 10.879 3.292 1.00 0.00 O ATOM 1104 CB ALA A 69 11.085 8.462 2.824 1.00 0.00 C ATOM 0 H ALA A 69 10.014 9.056 5.172 1.00 0.00 H new ATOM 0 HA ALA A 69 12.222 10.132 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.318 8.638 1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.786 7.736 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.070 8.075 2.910 1.00 0.00 H new ATOM 1110 N LYS A 70 10.843 11.656 2.114 1.00 0.00 N ATOM 1111 CA LYS A 70 10.076 12.706 1.457 1.00 0.00 C ATOM 1112 C LYS A 70 9.724 12.306 0.025 1.00 0.00 C ATOM 1113 O LYS A 70 9.506 13.162 -0.833 1.00 0.00 O ATOM 1114 CB LYS A 70 10.863 14.020 1.459 1.00 0.00 C ATOM 1115 CG LYS A 70 10.173 15.142 2.218 1.00 0.00 C ATOM 1116 CD LYS A 70 11.152 16.235 2.614 1.00 0.00 C ATOM 1117 CE LYS A 70 11.933 15.857 3.862 1.00 0.00 C ATOM 1118 NZ LYS A 70 12.476 17.055 4.561 1.00 0.00 N ATOM 0 H LYS A 70 11.827 11.623 1.848 1.00 0.00 H new ATOM 0 HA LYS A 70 9.149 12.849 2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.845 13.845 1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.027 14.337 0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.382 15.568 1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.697 14.738 3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.844 16.420 1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.610 17.164 2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.286 15.303 4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.753 15.193 3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.002 16.755 5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.114 17.571 3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.692 17.677 4.844 1.00 0.00 H new ATOM 1132 N LYS A 71 9.667 11.001 -0.222 1.00 0.00 N ATOM 1133 CA LYS A 71 9.338 10.487 -1.547 1.00 0.00 C ATOM 1134 C LYS A 71 8.418 9.279 -1.442 1.00 0.00 C ATOM 1135 O LYS A 71 8.870 8.160 -1.201 1.00 0.00 O ATOM 1136 CB LYS A 71 10.611 10.106 -2.302 1.00 0.00 C ATOM 1137 CG LYS A 71 11.594 9.299 -1.469 1.00 0.00 C ATOM 1138 CD LYS A 71 13.012 9.833 -1.601 1.00 0.00 C ATOM 1139 CE LYS A 71 13.420 10.642 -0.380 1.00 0.00 C ATOM 1140 NZ LYS A 71 13.089 12.087 -0.535 1.00 0.00 N ATOM 0 H LYS A 71 9.844 10.280 0.478 1.00 0.00 H new ATOM 0 HA LYS A 71 8.821 11.273 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.340 9.531 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.103 11.014 -2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.291 9.325 -0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.567 8.256 -1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.704 9.001 -1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.086 10.456 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.916 10.247 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.491 10.531 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.992 12.524 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.849 12.563 -1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.194 12.184 -1.056 1.00 0.00 H new ATOM 1154 N ILE A 72 7.126 9.512 -1.626 1.00 0.00 N ATOM 1155 CA ILE A 72 6.139 8.445 -1.553 1.00 0.00 C ATOM 1156 C ILE A 72 5.334 8.358 -2.845 1.00 0.00 C ATOM 1157 O ILE A 72 4.319 9.036 -3.003 1.00 0.00 O ATOM 1158 CB ILE A 72 5.180 8.652 -0.366 1.00 0.00 C ATOM 1159 CG1 ILE A 72 5.971 8.889 0.922 1.00 0.00 C ATOM 1160 CG2 ILE A 72 4.254 7.454 -0.213 1.00 0.00 C ATOM 1161 CD1 ILE A 72 6.062 10.348 1.316 1.00 0.00 C ATOM 0 H ILE A 72 6.737 10.433 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 72 6.683 7.512 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 72 4.569 9.533 -0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.504 8.330 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.978 8.491 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.583 7.618 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.668 7.329 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.847 6.556 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.636 10.441 2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.556 10.909 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.059 10.746 1.472 1.00 0.00 H new ATOM 1173 N GLU A 73 5.796 7.520 -3.767 1.00 0.00 N ATOM 1174 CA GLU A 73 5.123 7.344 -5.044 1.00 0.00 C ATOM 1175 C GLU A 73 4.175 6.151 -4.995 1.00 0.00 C ATOM 1176 O GLU A 73 4.518 5.096 -4.461 1.00 0.00 O ATOM 1177 CB GLU A 73 6.144 7.163 -6.170 1.00 0.00 C ATOM 1178 CG GLU A 73 6.325 8.401 -7.032 1.00 0.00 C ATOM 1179 CD GLU A 73 7.458 8.256 -8.029 1.00 0.00 C ATOM 1180 OE1 GLU A 73 7.845 7.105 -8.325 1.00 0.00 O ATOM 1181 OE2 GLU A 73 7.956 9.292 -8.515 1.00 0.00 O ATOM 0 H GLU A 73 6.635 6.952 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 73 4.538 8.242 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.106 6.889 -5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.831 6.332 -6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.398 8.605 -7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.518 9.261 -6.391 1.00 0.00 H new ATOM 1188 N VAL A 74 2.982 6.325 -5.551 1.00 0.00 N ATOM 1189 CA VAL A 74 1.985 5.262 -5.564 1.00 0.00 C ATOM 1190 C VAL A 74 1.671 4.819 -6.987 1.00 0.00 C ATOM 1191 O VAL A 74 1.271 5.627 -7.826 1.00 0.00 O ATOM 1192 CB VAL A 74 0.680 5.709 -4.878 1.00 0.00 C ATOM 1193 CG1 VAL A 74 -0.284 4.540 -4.749 1.00 0.00 C ATOM 1194 CG2 VAL A 74 0.974 6.321 -3.518 1.00 0.00 C ATOM 0 H VAL A 74 2.682 7.191 -5.998 1.00 0.00 H new ATOM 0 HA VAL A 74 2.410 4.424 -5.012 1.00 0.00 H new ATOM 0 HB VAL A 74 0.208 6.471 -5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.200 4.876 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.521 4.153 -5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.177 3.753 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.040 6.631 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.470 5.584 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.623 7.188 -3.642 1.00 0.00 H new ATOM 1204 N GLU A 75 1.849 3.531 -7.250 1.00 0.00 N ATOM 1205 CA GLU A 75 1.580 2.976 -8.572 1.00 0.00 C ATOM 1206 C GLU A 75 0.106 2.606 -8.713 1.00 0.00 C ATOM 1207 O GLU A 75 -0.230 1.467 -9.038 1.00 0.00 O ATOM 1208 CB GLU A 75 2.456 1.747 -8.819 1.00 0.00 C ATOM 1209 CG GLU A 75 2.841 1.559 -10.278 1.00 0.00 C ATOM 1210 CD GLU A 75 4.147 0.806 -10.442 1.00 0.00 C ATOM 1211 OE1 GLU A 75 5.217 1.442 -10.340 1.00 0.00 O ATOM 1212 OE2 GLU A 75 4.099 -0.421 -10.672 1.00 0.00 O ATOM 0 H GLU A 75 2.179 2.850 -6.566 1.00 0.00 H new ATOM 0 HA GLU A 75 1.818 3.736 -9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.363 1.831 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.927 0.859 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.047 1.019 -10.793 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.925 2.535 -10.757 1.00 0.00 H new ATOM 1219 N PHE A 76 -0.771 3.572 -8.456 1.00 0.00 N ATOM 1220 CA PHE A 76 -2.206 3.338 -8.547 1.00 0.00 C ATOM 1221 C PHE A 76 -2.747 3.754 -9.917 1.00 0.00 C ATOM 1222 O PHE A 76 -2.080 4.464 -10.668 1.00 0.00 O ATOM 1223 CB PHE A 76 -2.918 4.072 -7.393 1.00 0.00 C ATOM 1224 CG PHE A 76 -3.780 5.245 -7.787 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -3.337 6.190 -8.701 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -5.034 5.403 -7.223 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -4.133 7.264 -9.047 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -5.832 6.476 -7.562 1.00 0.00 C ATOM 1229 CZ PHE A 76 -5.383 7.408 -8.476 1.00 0.00 C ATOM 0 H PHE A 76 -0.513 4.521 -8.184 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.405 2.271 -8.448 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.540 3.353 -6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.162 4.422 -6.690 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.359 6.085 -9.147 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.392 4.677 -6.508 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.779 7.991 -9.763 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.808 6.587 -7.112 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.007 8.248 -8.744 1.00 0.00 H new ATOM 1239 N ASP A 77 -3.959 3.304 -10.234 1.00 0.00 N ATOM 1240 CA ASP A 77 -4.587 3.628 -11.512 1.00 0.00 C ATOM 1241 C ASP A 77 -5.593 4.762 -11.350 1.00 0.00 C ATOM 1242 O ASP A 77 -6.030 5.063 -10.240 1.00 0.00 O ATOM 1243 CB ASP A 77 -5.279 2.393 -12.097 1.00 0.00 C ATOM 1244 CG ASP A 77 -5.074 2.271 -13.595 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -5.449 3.213 -14.324 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -4.538 1.235 -14.038 1.00 0.00 O ATOM 0 H ASP A 77 -4.525 2.714 -9.624 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.806 3.954 -12.199 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.895 1.498 -11.606 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.346 2.442 -11.882 1.00 0.00 H new ATOM 1251 N LYS A 78 -5.952 5.391 -12.465 1.00 0.00 N ATOM 1252 CA LYS A 78 -6.907 6.493 -12.449 1.00 0.00 C ATOM 1253 C LYS A 78 -8.329 5.991 -12.690 1.00 0.00 C ATOM 1254 O LYS A 78 -9.161 6.702 -13.254 1.00 0.00 O ATOM 1255 CB LYS A 78 -6.531 7.535 -13.506 1.00 0.00 C ATOM 1256 CG LYS A 78 -6.186 8.896 -12.923 1.00 0.00 C ATOM 1257 CD LYS A 78 -5.759 9.874 -14.006 1.00 0.00 C ATOM 1258 CE LYS A 78 -4.250 10.057 -14.027 1.00 0.00 C ATOM 1259 NZ LYS A 78 -3.829 11.082 -15.023 1.00 0.00 N ATOM 0 H LYS A 78 -5.595 5.156 -13.391 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.872 6.956 -11.463 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.680 7.168 -14.079 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.360 7.648 -14.204 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.050 9.295 -12.391 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.384 8.787 -12.193 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.096 9.513 -14.978 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.241 10.837 -13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.906 10.351 -13.035 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.772 9.106 -14.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.794 11.177 -15.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.135 10.789 -15.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.265 11.996 -14.786 1.00 0.00 H new ATOM 1273 N GLY A 79 -8.601 4.764 -12.256 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.917 4.189 -12.429 1.00 0.00 C ATOM 1275 C GLY A 79 -10.069 2.907 -11.643 1.00 0.00 C ATOM 1276 O GLY A 79 -10.793 1.999 -12.049 1.00 0.00 O ATOM 0 H GLY A 79 -7.928 4.158 -11.786 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.673 4.905 -12.108 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.093 3.992 -13.486 1.00 0.00 H new ATOM 1280 N GLN A 80 -9.374 2.834 -10.511 1.00 0.00 N ATOM 1281 CA GLN A 80 -9.424 1.657 -9.665 1.00 0.00 C ATOM 1282 C GLN A 80 -10.691 1.636 -8.835 1.00 0.00 C ATOM 1283 O GLN A 80 -11.004 2.583 -8.115 1.00 0.00 O ATOM 1284 CB GLN A 80 -8.207 1.594 -8.747 1.00 0.00 C ATOM 1285 CG GLN A 80 -6.906 1.411 -9.496 1.00 0.00 C ATOM 1286 CD GLN A 80 -6.533 -0.047 -9.670 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -6.475 -0.805 -8.701 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -6.285 -0.454 -10.909 1.00 0.00 N ATOM 0 H GLN A 80 -8.771 3.579 -10.163 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.419 0.784 -10.318 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.155 2.511 -8.160 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.333 0.771 -8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.986 1.881 -10.476 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -6.108 1.925 -8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.344 0.206 -11.684 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.035 -1.427 -11.086 1.00 0.00 H new ATOM 1297 N ARG A 81 -11.406 0.536 -8.955 1.00 0.00 N ATOM 1298 CA ARG A 81 -12.661 0.336 -8.230 1.00 0.00 C ATOM 1299 C ARG A 81 -12.532 0.775 -6.772 1.00 0.00 C ATOM 1300 O ARG A 81 -11.693 0.263 -6.031 1.00 0.00 O ATOM 1301 CB ARG A 81 -13.081 -1.133 -8.296 1.00 0.00 C ATOM 1302 CG ARG A 81 -13.598 -1.557 -9.662 1.00 0.00 C ATOM 1303 CD ARG A 81 -12.827 -2.750 -10.208 1.00 0.00 C ATOM 1304 NE ARG A 81 -13.510 -3.370 -11.341 1.00 0.00 N ATOM 1305 CZ ARG A 81 -14.651 -4.046 -11.239 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -15.241 -4.193 -10.059 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -15.205 -4.576 -12.320 1.00 0.00 N ATOM 0 H ARG A 81 -11.142 -0.247 -9.553 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.425 0.950 -8.706 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.229 -1.758 -8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.856 -1.315 -7.551 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.656 -1.809 -9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.517 -0.722 -10.358 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.832 -2.429 -10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.693 -3.488 -9.417 1.00 0.00 H new ATOM 0 HE ARG A 81 -13.087 -3.279 -12.265 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.819 -3.786 -9.224 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.116 -4.712 -9.987 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.756 -4.465 -13.229 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.080 -5.095 -12.243 1.00 0.00 H new ATOM 1321 N THR A 82 -13.366 1.730 -6.373 1.00 0.00 N ATOM 1322 CA THR A 82 -13.347 2.247 -5.008 1.00 0.00 C ATOM 1323 C THR A 82 -14.489 1.657 -4.182 1.00 0.00 C ATOM 1324 O THR A 82 -15.370 0.985 -4.719 1.00 0.00 O ATOM 1325 CB THR A 82 -13.454 3.771 -5.021 1.00 0.00 C ATOM 1326 OG1 THR A 82 -14.728 4.180 -5.489 1.00 0.00 O ATOM 1327 CG2 THR A 82 -12.410 4.439 -5.890 1.00 0.00 C ATOM 0 H THR A 82 -14.065 2.163 -6.977 1.00 0.00 H new ATOM 0 HA THR A 82 -12.402 1.954 -4.550 1.00 0.00 H new ATOM 0 HB THR A 82 -13.294 4.080 -3.988 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.778 5.159 -5.488 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.544 5.520 -5.853 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.415 4.184 -5.525 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.518 4.095 -6.918 1.00 0.00 H new ATOM 1421 N TRP A 88 -8.810 2.512 -2.898 1.00 0.00 N ATOM 1422 CA TRP A 88 -7.999 2.388 -4.101 1.00 0.00 C ATOM 1423 C TRP A 88 -6.829 1.439 -3.901 1.00 0.00 C ATOM 1424 O TRP A 88 -6.353 1.249 -2.790 1.00 0.00 O ATOM 1425 CB TRP A 88 -7.454 3.762 -4.486 1.00 0.00 C ATOM 1426 CG TRP A 88 -8.515 4.761 -4.823 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -9.294 5.455 -3.945 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -8.907 5.184 -6.130 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -10.157 6.277 -4.629 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -9.937 6.130 -5.973 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -8.489 4.851 -7.419 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -10.554 6.744 -7.060 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -9.100 5.462 -8.495 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -10.124 6.399 -8.312 1.00 0.00 C ATOM 0 HA TRP A 88 -8.635 1.986 -4.889 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -6.854 4.148 -3.662 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.788 3.651 -5.342 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.241 5.371 -2.870 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -10.848 6.896 -4.205 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.701 4.128 -7.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -11.344 7.467 -6.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.782 5.213 -9.497 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.583 6.858 -9.175 1.00 0.00 H new ATOM 1445 N LEU A 89 -6.341 0.866 -4.987 1.00 0.00 N ATOM 1446 CA LEU A 89 -5.195 -0.027 -4.893 1.00 0.00 C ATOM 1447 C LEU A 89 -3.925 0.805 -4.747 1.00 0.00 C ATOM 1448 O LEU A 89 -3.907 1.980 -5.111 1.00 0.00 O ATOM 1449 CB LEU A 89 -5.113 -0.951 -6.118 1.00 0.00 C ATOM 1450 CG LEU A 89 -4.163 -0.525 -7.249 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -4.353 0.943 -7.602 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -2.714 -0.803 -6.866 1.00 0.00 C ATOM 0 H LEU A 89 -6.710 0.998 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.308 -0.665 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.811 -1.941 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.115 -1.050 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.406 -1.116 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.668 1.216 -8.405 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.380 1.109 -7.929 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.148 1.558 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.057 -0.495 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.462 -0.244 -5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.585 -1.869 -6.680 1.00 0.00 H new ATOM 1464 N ALA A 90 -2.867 0.207 -4.215 1.00 0.00 N ATOM 1465 CA ALA A 90 -1.612 0.930 -4.039 1.00 0.00 C ATOM 1466 C ALA A 90 -0.589 0.111 -3.266 1.00 0.00 C ATOM 1467 O ALA A 90 -0.938 -0.791 -2.505 1.00 0.00 O ATOM 1468 CB ALA A 90 -1.857 2.256 -3.330 1.00 0.00 C ATOM 0 H ALA A 90 -2.850 -0.763 -3.901 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.206 1.120 -5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.911 2.783 -3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.537 2.866 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.299 2.069 -2.351 1.00 0.00 H new ATOM 1474 N TYR A 91 0.676 0.453 -3.464 1.00 0.00 N ATOM 1475 CA TYR A 91 1.772 -0.222 -2.789 1.00 0.00 C ATOM 1476 C TYR A 91 2.441 0.739 -1.811 1.00 0.00 C ATOM 1477 O TYR A 91 2.779 0.368 -0.687 1.00 0.00 O ATOM 1478 CB TYR A 91 2.784 -0.737 -3.811 1.00 0.00 C ATOM 1479 CG TYR A 91 2.290 -1.923 -4.613 1.00 0.00 C ATOM 1480 CD1 TYR A 91 1.077 -1.876 -5.297 1.00 0.00 C ATOM 1481 CD2 TYR A 91 3.039 -3.090 -4.687 1.00 0.00 C ATOM 1482 CE1 TYR A 91 0.630 -2.962 -6.028 1.00 0.00 C ATOM 1483 CE2 TYR A 91 2.597 -4.178 -5.417 1.00 0.00 C ATOM 1484 CZ TYR A 91 1.394 -4.108 -6.085 1.00 0.00 C ATOM 1485 OH TYR A 91 0.951 -5.189 -6.812 1.00 0.00 O ATOM 0 H TYR A 91 0.969 1.201 -4.093 1.00 0.00 H new ATOM 0 HA TYR A 91 1.381 -1.075 -2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.040 0.072 -4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.701 -1.017 -3.292 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.477 -0.979 -5.256 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.983 -3.149 -4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.313 -2.912 -6.552 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.192 -5.078 -5.463 1.00 0.00 H new ATOM 0 HH TYR A 91 1.606 -5.915 -6.751 1.00 0.00 H new ATOM 1495 N ILE A 92 2.605 1.985 -2.250 1.00 0.00 N ATOM 1496 CA ILE A 92 3.208 3.027 -1.425 1.00 0.00 C ATOM 1497 C ILE A 92 4.618 2.659 -0.977 1.00 0.00 C ATOM 1498 O ILE A 92 4.823 1.650 -0.304 1.00 0.00 O ATOM 1499 CB ILE A 92 2.352 3.316 -0.176 1.00 0.00 C ATOM 1500 CG1 ILE A 92 0.867 3.370 -0.543 1.00 0.00 C ATOM 1501 CG2 ILE A 92 2.790 4.621 0.473 1.00 0.00 C ATOM 1502 CD1 ILE A 92 0.158 2.043 -0.384 1.00 0.00 C ATOM 0 H ILE A 92 2.326 2.298 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 92 3.259 3.918 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 92 2.498 2.507 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.373 4.114 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.768 3.705 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.177 4.813 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.837 4.547 0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.670 5.439 -0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.890 2.155 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.627 1.300 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.226 1.716 0.654 1.00 0.00 H new ATOM 1514 N TYR A 93 5.586 3.495 -1.340 1.00 0.00 N ATOM 1515 CA TYR A 93 6.973 3.261 -0.957 1.00 0.00 C ATOM 1516 C TYR A 93 7.686 4.566 -0.629 1.00 0.00 C ATOM 1517 O TYR A 93 7.639 5.525 -1.399 1.00 0.00 O ATOM 1518 CB TYR A 93 7.732 2.527 -2.060 1.00 0.00 C ATOM 1519 CG TYR A 93 7.555 3.110 -3.440 1.00 0.00 C ATOM 1520 CD1 TYR A 93 8.238 4.259 -3.822 1.00 0.00 C ATOM 1521 CD2 TYR A 93 6.722 2.502 -4.368 1.00 0.00 C ATOM 1522 CE1 TYR A 93 8.091 4.784 -5.090 1.00 0.00 C ATOM 1523 CE2 TYR A 93 6.573 3.019 -5.639 1.00 0.00 C ATOM 1524 CZ TYR A 93 7.259 4.161 -5.995 1.00 0.00 C ATOM 1525 OH TYR A 93 7.116 4.676 -7.262 1.00 0.00 O ATOM 0 H TYR A 93 5.436 4.337 -1.896 1.00 0.00 H new ATOM 0 HA TYR A 93 6.957 2.638 -0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.794 2.527 -1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.408 1.486 -2.075 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.893 4.748 -3.116 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.181 1.609 -4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.626 5.679 -5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.923 2.532 -6.351 1.00 0.00 H new ATOM 0 HH TYR A 93 7.710 5.448 -7.370 1.00 0.00 H new ATOM 1535 N ALA A 94 8.356 4.588 0.517 1.00 0.00 N ATOM 1536 CA ALA A 94 9.094 5.767 0.951 1.00 0.00 C ATOM 1537 C ALA A 94 10.590 5.572 0.737 1.00 0.00 C ATOM 1538 O ALA A 94 11.175 4.606 1.225 1.00 0.00 O ATOM 1539 CB ALA A 94 8.798 6.065 2.415 1.00 0.00 C ATOM 0 H ALA A 94 8.403 3.801 1.164 1.00 0.00 H new ATOM 0 HA ALA A 94 8.772 6.618 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.356 6.948 2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.731 6.247 2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.096 5.214 3.027 1.00 0.00 H new ATOM 1545 N ASP A 95 11.204 6.490 -0.003 1.00 0.00 N ATOM 1546 CA ASP A 95 12.635 6.416 -0.292 1.00 0.00 C ATOM 1547 C ASP A 95 12.924 5.339 -1.332 1.00 0.00 C ATOM 1548 O ASP A 95 14.013 4.765 -1.361 1.00 0.00 O ATOM 1549 CB ASP A 95 13.431 6.135 0.986 1.00 0.00 C ATOM 1550 CG ASP A 95 14.867 6.612 0.890 1.00 0.00 C ATOM 1551 OD1 ASP A 95 15.077 7.819 0.649 1.00 0.00 O ATOM 1552 OD2 ASP A 95 15.782 5.778 1.055 1.00 0.00 O ATOM 0 H ASP A 95 10.733 7.296 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 95 12.945 7.380 -0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.944 6.625 1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.420 5.064 1.190 1.00 0.00 H new ATOM 1557 N GLY A 96 11.943 5.071 -2.190 1.00 0.00 N ATOM 1558 CA GLY A 96 12.111 4.067 -3.224 1.00 0.00 C ATOM 1559 C GLY A 96 12.058 2.650 -2.684 1.00 0.00 C ATOM 1560 O GLY A 96 12.573 1.724 -3.310 1.00 0.00 O ATOM 0 H GLY A 96 11.034 5.533 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.332 4.193 -3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.066 4.224 -3.725 1.00 0.00 H new ATOM 1564 N LYS A 97 11.436 2.478 -1.522 1.00 0.00 N ATOM 1565 CA LYS A 97 11.320 1.160 -0.907 1.00 0.00 C ATOM 1566 C LYS A 97 9.920 0.939 -0.346 1.00 0.00 C ATOM 1567 O LYS A 97 9.499 1.624 0.587 1.00 0.00 O ATOM 1568 CB LYS A 97 12.360 1.000 0.205 1.00 0.00 C ATOM 1569 CG LYS A 97 12.400 2.169 1.175 1.00 0.00 C ATOM 1570 CD LYS A 97 13.276 1.864 2.380 1.00 0.00 C ATOM 1571 CE LYS A 97 12.444 1.466 3.587 1.00 0.00 C ATOM 1572 NZ LYS A 97 11.683 0.209 3.346 1.00 0.00 N ATOM 0 H LYS A 97 11.005 3.233 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 97 11.503 0.411 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.148 0.086 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.345 0.879 -0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.778 3.054 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.389 2.401 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.969 1.060 2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.878 2.739 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.096 1.336 4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.749 2.270 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.168 -0.056 4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.006 0.356 2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.343 -0.553 3.089 1.00 0.00 H new ATOM 1586 N MET A 98 9.204 -0.025 -0.915 1.00 0.00 N ATOM 1587 CA MET A 98 7.852 -0.340 -0.467 1.00 0.00 C ATOM 1588 C MET A 98 7.887 -1.036 0.891 1.00 0.00 C ATOM 1589 O MET A 98 8.617 -2.010 1.075 1.00 0.00 O ATOM 1590 CB MET A 98 7.144 -1.241 -1.482 1.00 0.00 C ATOM 1591 CG MET A 98 7.296 -0.787 -2.926 1.00 0.00 C ATOM 1592 SD MET A 98 6.998 -2.118 -4.107 1.00 0.00 S ATOM 1593 CE MET A 98 8.602 -2.239 -4.895 1.00 0.00 C ATOM 0 H MET A 98 9.537 -0.602 -1.687 1.00 0.00 H new ATOM 0 HA MET A 98 7.301 0.596 -0.376 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.535 -2.254 -1.388 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.083 -1.285 -1.236 1.00 0.00 H new ATOM 0 HG2 MET A 98 6.601 0.029 -3.121 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.301 -0.392 -3.075 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.577 -3.022 -5.653 1.00 0.00 H new ATOM 0 HE2 MET A 98 8.849 -1.287 -5.365 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.357 -2.481 -4.147 1.00 0.00 H new ATOM 1603 N VAL A 99 7.095 -0.541 1.839 1.00 0.00 N ATOM 1604 CA VAL A 99 7.048 -1.139 3.172 1.00 0.00 C ATOM 1605 C VAL A 99 6.730 -2.626 3.081 1.00 0.00 C ATOM 1606 O VAL A 99 7.252 -3.432 3.852 1.00 0.00 O ATOM 1607 CB VAL A 99 6.013 -0.457 4.093 1.00 0.00 C ATOM 1608 CG1 VAL A 99 6.664 0.667 4.885 1.00 0.00 C ATOM 1609 CG2 VAL A 99 4.823 0.059 3.295 1.00 0.00 C ATOM 0 H VAL A 99 6.482 0.265 1.712 1.00 0.00 H new ATOM 0 HA VAL A 99 8.036 -0.993 3.610 1.00 0.00 H new ATOM 0 HB VAL A 99 5.642 -1.203 4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.920 1.137 5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.470 0.262 5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.069 1.409 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.111 0.534 3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.166 0.786 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.339 -0.773 2.784 1.00 0.00 H new