USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 719 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 25 GLN : amide:sc= -0.942 K(o=-0.9,f=-4.1) USER MOD Set 1.2: A 48 ASN : amide:sc= 0.0422 K(o=-0.9,f=-4.5!) USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= 0.183 (180deg=-0.138) USER MOD Single : A 16 MET CE :methyl 148:sc= -0.625 (180deg=-1.51) USER MOD Single : A 17 TYR OH : rot 180:sc=-0.00615 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.931 F(o=-3.8,f=-0.93) USER MOD Single : A 36 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.57) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc=-0.00586 (180deg=-0.424) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -110:sc= 0.203 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.114) USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0159) USER MOD Single : A 74 GLN : amide:sc= -0.757 X(o=-0.76,f=-0.99) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 165:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc=-0.00897 USER MOD Single : A 89 SER OG : rot 180:sc= -0.213 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N LEU A 13 -6.456 -18.350 -1.361 1.00 0.00 N ATOM 228 CA LEU A 13 -6.552 -16.895 -1.387 1.00 0.00 C ATOM 229 C LEU A 13 -6.001 -16.362 -2.708 1.00 0.00 C ATOM 230 O LEU A 13 -5.190 -17.027 -3.350 1.00 0.00 O ATOM 231 CB LEU A 13 -5.830 -16.310 -0.165 1.00 0.00 C ATOM 232 CG LEU A 13 -4.294 -16.276 -0.251 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.803 -14.893 -0.709 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.703 -16.563 1.132 1.00 0.00 C ATOM 0 HA LEU A 13 -7.595 -16.584 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.189 -15.293 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.114 -16.889 0.714 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.975 -17.028 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.714 -14.893 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.215 -14.668 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.131 -14.136 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.615 -16.540 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.045 -15.807 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.028 -17.547 1.469 1.00 0.00 H new ATOM 246 N LYS A 14 -6.459 -15.171 -3.109 1.00 0.00 N ATOM 247 CA LYS A 14 -6.139 -14.554 -4.391 1.00 0.00 C ATOM 248 C LYS A 14 -5.501 -13.172 -4.203 1.00 0.00 C ATOM 249 O LYS A 14 -5.297 -12.736 -3.070 1.00 0.00 O ATOM 250 CB LYS A 14 -7.405 -14.530 -5.258 1.00 0.00 C ATOM 251 CG LYS A 14 -8.647 -13.911 -4.619 1.00 0.00 C ATOM 252 CD LYS A 14 -8.524 -12.432 -4.234 1.00 0.00 C ATOM 253 CE LYS A 14 -9.857 -11.886 -3.718 1.00 0.00 C ATOM 254 NZ LYS A 14 -10.234 -12.550 -2.481 1.00 0.00 N ATOM 0 H LYS A 14 -7.077 -14.599 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.387 -15.145 -4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.183 -13.984 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.642 -15.554 -5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.483 -14.020 -5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.897 -14.482 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.758 -12.315 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.200 -11.853 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.777 -10.812 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.633 -12.035 -4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.792 -11.898 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.803 -13.393 -2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.377 -12.835 -1.965 1.00 0.00 H new ATOM 267 N ARG A 15 -5.193 -12.483 -5.311 1.00 0.00 N ATOM 268 CA ARG A 15 -4.611 -11.142 -5.276 1.00 0.00 C ATOM 269 C ARG A 15 -5.682 -10.080 -5.519 1.00 0.00 C ATOM 270 O ARG A 15 -6.413 -10.135 -6.505 1.00 0.00 O ATOM 271 CB ARG A 15 -3.395 -10.971 -6.199 1.00 0.00 C ATOM 272 CG ARG A 15 -3.707 -11.044 -7.692 1.00 0.00 C ATOM 273 CD ARG A 15 -2.447 -10.839 -8.540 1.00 0.00 C ATOM 274 NE ARG A 15 -2.658 -11.391 -9.883 1.00 0.00 N ATOM 275 CZ ARG A 15 -2.029 -11.058 -11.019 1.00 0.00 C ATOM 276 NH1 ARG A 15 -1.178 -10.024 -11.069 1.00 0.00 N ATOM 277 NH2 ARG A 15 -2.263 -11.788 -12.118 1.00 0.00 N ATOM 0 H ARG A 15 -5.342 -12.843 -6.254 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.216 -11.000 -4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.928 -10.009 -5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.662 -11.741 -5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.150 -12.012 -7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.446 -10.285 -7.948 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.211 -9.777 -8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.595 -11.326 -8.066 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.370 -12.117 -9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.997 -9.471 -10.231 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.711 -9.790 -11.945 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.908 -12.577 -12.078 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.796 -11.554 -12.994 1.00 0.00 H new ATOM 291 N MET A 16 -5.767 -9.103 -4.617 1.00 0.00 N ATOM 292 CA MET A 16 -6.649 -7.963 -4.752 1.00 0.00 C ATOM 293 C MET A 16 -5.880 -6.760 -5.306 1.00 0.00 C ATOM 294 O MET A 16 -5.213 -6.021 -4.584 1.00 0.00 O ATOM 295 CB MET A 16 -7.377 -7.693 -3.439 1.00 0.00 C ATOM 296 CG MET A 16 -6.511 -7.514 -2.193 1.00 0.00 C ATOM 297 SD MET A 16 -7.303 -6.569 -0.871 1.00 0.00 S ATOM 298 CE MET A 16 -7.182 -4.879 -1.524 1.00 0.00 C ATOM 0 H MET A 16 -5.213 -9.089 -3.761 1.00 0.00 H new ATOM 0 HA MET A 16 -7.430 -8.179 -5.481 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.981 -6.794 -3.564 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.066 -8.518 -3.257 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.239 -8.497 -1.809 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.584 -7.015 -2.477 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.041 -4.297 -1.189 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.265 -4.414 -1.162 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.168 -4.910 -2.613 1.00 0.00 H new ATOM 308 N TYR A 17 -5.982 -6.580 -6.623 1.00 0.00 N ATOM 309 CA TYR A 17 -5.333 -5.509 -7.360 1.00 0.00 C ATOM 310 C TYR A 17 -6.251 -4.289 -7.355 1.00 0.00 C ATOM 311 O TYR A 17 -7.291 -4.299 -8.009 1.00 0.00 O ATOM 312 CB TYR A 17 -5.007 -6.003 -8.774 1.00 0.00 C ATOM 313 CG TYR A 17 -4.655 -4.929 -9.787 1.00 0.00 C ATOM 314 CD1 TYR A 17 -3.630 -4.001 -9.522 1.00 0.00 C ATOM 315 CD2 TYR A 17 -5.332 -4.885 -11.021 1.00 0.00 C ATOM 316 CE1 TYR A 17 -3.240 -3.080 -10.510 1.00 0.00 C ATOM 317 CE2 TYR A 17 -4.959 -3.946 -11.997 1.00 0.00 C ATOM 318 CZ TYR A 17 -3.893 -3.066 -11.755 1.00 0.00 C ATOM 319 OH TYR A 17 -3.491 -2.196 -12.725 1.00 0.00 O ATOM 0 H TYR A 17 -6.536 -7.196 -7.218 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.392 -5.216 -6.896 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.173 -6.702 -8.710 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.864 -6.562 -9.149 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.143 -3.997 -8.558 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.140 -5.575 -11.217 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.439 -2.383 -10.313 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.493 -3.901 -12.935 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.046 -2.317 -13.524 1.00 0.00 H new ATOM 329 N ALA A 18 -5.863 -3.255 -6.600 1.00 0.00 N ATOM 330 CA ALA A 18 -6.623 -2.032 -6.424 1.00 0.00 C ATOM 331 C ALA A 18 -5.816 -0.824 -6.887 1.00 0.00 C ATOM 332 O ALA A 18 -4.857 -0.408 -6.239 1.00 0.00 O ATOM 333 CB ALA A 18 -7.045 -1.890 -4.966 1.00 0.00 C ATOM 0 H ALA A 18 -4.984 -3.255 -6.083 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.522 -2.081 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.615 -0.970 -4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.663 -2.742 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.159 -1.857 -4.332 1.00 0.00 H new ATOM 339 N ARG A 19 -6.245 -0.252 -8.011 1.00 0.00 N ATOM 340 CA ARG A 19 -5.706 0.977 -8.564 1.00 0.00 C ATOM 341 C ARG A 19 -6.461 2.164 -7.960 1.00 0.00 C ATOM 342 O ARG A 19 -7.564 2.481 -8.404 1.00 0.00 O ATOM 343 CB ARG A 19 -5.831 0.973 -10.100 1.00 0.00 C ATOM 344 CG ARG A 19 -4.538 0.606 -10.837 1.00 0.00 C ATOM 345 CD ARG A 19 -3.408 1.571 -10.449 1.00 0.00 C ATOM 346 NE ARG A 19 -2.637 2.075 -11.593 1.00 0.00 N ATOM 347 CZ ARG A 19 -1.794 1.368 -12.361 1.00 0.00 C ATOM 348 NH1 ARG A 19 -1.677 0.042 -12.216 1.00 0.00 N ATOM 349 NH2 ARG A 19 -1.057 2.001 -13.284 1.00 0.00 N ATOM 0 H ARG A 19 -6.999 -0.647 -8.574 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.648 1.060 -8.316 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.612 0.269 -10.387 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.155 1.960 -10.429 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.251 -0.417 -10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.703 0.643 -11.914 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.835 2.417 -9.910 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.731 1.064 -9.762 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.754 3.061 -11.827 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.233 -0.445 -11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.031 -0.481 -12.808 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.140 3.011 -13.398 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.413 1.473 -13.873 1.00 0.00 H new ATOM 363 N VAL A 20 -5.859 2.820 -6.962 1.00 0.00 N ATOM 364 CA VAL A 20 -6.423 4.007 -6.328 1.00 0.00 C ATOM 365 C VAL A 20 -6.083 5.220 -7.199 1.00 0.00 C ATOM 366 O VAL A 20 -4.951 5.698 -7.164 1.00 0.00 O ATOM 367 CB VAL A 20 -5.880 4.158 -4.896 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.609 5.287 -4.155 1.00 0.00 C ATOM 369 CG2 VAL A 20 -6.017 2.872 -4.068 1.00 0.00 C ATOM 0 H VAL A 20 -4.960 2.537 -6.572 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.506 3.921 -6.246 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.820 4.389 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.210 5.376 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.462 6.226 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.674 5.061 -4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.617 3.039 -3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.069 2.595 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.462 2.068 -4.551 1.00 0.00 H new ATOM 379 N TYR A 21 -7.048 5.705 -7.992 1.00 0.00 N ATOM 380 CA TYR A 21 -6.840 6.817 -8.923 1.00 0.00 C ATOM 381 C TYR A 21 -7.197 8.161 -8.289 1.00 0.00 C ATOM 382 O TYR A 21 -8.031 8.219 -7.387 1.00 0.00 O ATOM 383 CB TYR A 21 -7.663 6.615 -10.204 1.00 0.00 C ATOM 384 CG TYR A 21 -7.243 5.431 -11.053 1.00 0.00 C ATOM 385 CD1 TYR A 21 -6.048 5.493 -11.792 1.00 0.00 C ATOM 386 CD2 TYR A 21 -8.068 4.296 -11.165 1.00 0.00 C ATOM 387 CE1 TYR A 21 -5.664 4.414 -12.607 1.00 0.00 C ATOM 388 CE2 TYR A 21 -7.715 3.244 -12.026 1.00 0.00 C ATOM 389 CZ TYR A 21 -6.509 3.300 -12.745 1.00 0.00 C ATOM 390 OH TYR A 21 -6.150 2.268 -13.563 1.00 0.00 O ATOM 0 H TYR A 21 -7.998 5.334 -8.004 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.780 6.830 -9.175 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.711 6.493 -9.930 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.595 7.519 -10.809 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.424 6.372 -11.733 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.977 4.234 -10.586 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.718 4.441 -13.128 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.370 2.392 -12.135 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.845 1.578 -13.543 1.00 0.00 H new ATOM 400 N GLY A 22 -6.597 9.241 -8.811 1.00 0.00 N ATOM 401 CA GLY A 22 -6.935 10.625 -8.503 1.00 0.00 C ATOM 402 C GLY A 22 -5.696 11.442 -8.165 1.00 0.00 C ATOM 403 O GLY A 22 -4.584 11.075 -8.540 1.00 0.00 O ATOM 0 H GLY A 22 -5.835 9.164 -9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.446 11.074 -9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.630 10.652 -7.664 1.00 0.00 H new ATOM 407 N LEU A 23 -5.890 12.523 -7.398 1.00 0.00 N ATOM 408 CA LEU A 23 -4.812 13.344 -6.858 1.00 0.00 C ATOM 409 C LEU A 23 -4.237 12.698 -5.588 1.00 0.00 C ATOM 410 O LEU A 23 -3.739 13.387 -4.702 1.00 0.00 O ATOM 411 CB LEU A 23 -5.352 14.762 -6.624 1.00 0.00 C ATOM 412 CG LEU A 23 -4.276 15.853 -6.474 1.00 0.00 C ATOM 413 CD1 LEU A 23 -3.517 16.121 -7.781 1.00 0.00 C ATOM 414 CD2 LEU A 23 -4.948 17.152 -6.013 1.00 0.00 C ATOM 0 H LEU A 23 -6.819 12.852 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.983 13.413 -7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.004 15.028 -7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.969 14.756 -5.725 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.550 15.499 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.771 16.899 -7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.021 15.207 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.218 16.448 -8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.195 17.932 -5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.687 17.462 -6.752 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.441 16.986 -5.055 1.00 0.00 H new ATOM 426 N VAL A 24 -4.302 11.365 -5.495 1.00 0.00 N ATOM 427 CA VAL A 24 -3.848 10.599 -4.343 1.00 0.00 C ATOM 428 C VAL A 24 -2.323 10.475 -4.279 1.00 0.00 C ATOM 429 O VAL A 24 -1.798 10.003 -3.273 1.00 0.00 O ATOM 430 CB VAL A 24 -4.556 9.239 -4.307 1.00 0.00 C ATOM 431 CG1 VAL A 24 -6.077 9.436 -4.269 1.00 0.00 C ATOM 432 CG2 VAL A 24 -4.174 8.363 -5.502 1.00 0.00 C ATOM 0 H VAL A 24 -4.682 10.781 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.124 11.147 -3.442 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.231 8.725 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.569 8.464 -4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.348 10.003 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.396 9.981 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.698 7.410 -5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.453 8.868 -6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.098 8.187 -5.495 1.00 0.00 H new ATOM 442 N GLN A 25 -1.617 10.934 -5.318 1.00 0.00 N ATOM 443 CA GLN A 25 -0.186 11.180 -5.263 1.00 0.00 C ATOM 444 C GLN A 25 0.060 12.495 -4.519 1.00 0.00 C ATOM 445 O GLN A 25 -0.866 13.272 -4.291 1.00 0.00 O ATOM 446 CB GLN A 25 0.391 11.192 -6.684 1.00 0.00 C ATOM 447 CG GLN A 25 1.235 9.936 -6.926 1.00 0.00 C ATOM 448 CD GLN A 25 0.460 8.619 -6.881 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.767 8.594 -6.876 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.199 7.512 -6.868 1.00 0.00 N ATOM 0 H GLN A 25 -2.033 11.145 -6.225 1.00 0.00 H new ATOM 0 HA GLN A 25 0.324 10.386 -4.718 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.419 11.240 -7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.003 12.083 -6.828 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.718 10.023 -7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.028 9.900 -6.179 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.217 7.578 -6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.747 6.598 -6.853 1.00 0.00 H new ATOM 459 N GLY A 26 1.306 12.730 -4.099 1.00 0.00 N ATOM 460 CA GLY A 26 1.641 13.839 -3.221 1.00 0.00 C ATOM 461 C GLY A 26 1.336 13.451 -1.777 1.00 0.00 C ATOM 462 O GLY A 26 2.254 13.355 -0.964 1.00 0.00 O ATOM 0 H GLY A 26 2.106 12.154 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.695 14.095 -3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.069 14.724 -3.500 1.00 0.00 H new ATOM 466 N VAL A 27 0.058 13.188 -1.467 1.00 0.00 N ATOM 467 CA VAL A 27 -0.319 12.590 -0.192 1.00 0.00 C ATOM 468 C VAL A 27 0.086 11.111 -0.187 1.00 0.00 C ATOM 469 O VAL A 27 0.260 10.507 -1.244 1.00 0.00 O ATOM 470 CB VAL A 27 -1.808 12.818 0.132 1.00 0.00 C ATOM 471 CG1 VAL A 27 -2.176 14.301 -0.007 1.00 0.00 C ATOM 472 CG2 VAL A 27 -2.776 11.980 -0.710 1.00 0.00 C ATOM 0 H VAL A 27 -0.728 13.383 -2.087 1.00 0.00 H new ATOM 0 HA VAL A 27 0.222 13.086 0.614 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.923 12.488 1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.232 14.437 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.573 14.892 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.985 14.629 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.801 12.204 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.641 12.219 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.575 10.921 -0.549 1.00 0.00 H new ATOM 482 N GLY A 28 0.280 10.541 1.008 1.00 0.00 N ATOM 483 CA GLY A 28 0.839 9.209 1.167 1.00 0.00 C ATOM 484 C GLY A 28 -0.154 8.111 0.783 1.00 0.00 C ATOM 485 O GLY A 28 -0.087 7.576 -0.322 1.00 0.00 O ATOM 0 H GLY A 28 0.050 10.999 1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.734 9.117 0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.149 9.069 2.203 1.00 0.00 H new ATOM 489 N PHE A 29 -1.038 7.749 1.723 1.00 0.00 N ATOM 490 CA PHE A 29 -1.962 6.621 1.632 1.00 0.00 C ATOM 491 C PHE A 29 -1.251 5.349 1.161 1.00 0.00 C ATOM 492 O PHE A 29 -1.620 4.733 0.162 1.00 0.00 O ATOM 493 CB PHE A 29 -3.163 6.990 0.760 1.00 0.00 C ATOM 494 CG PHE A 29 -4.339 6.044 0.910 1.00 0.00 C ATOM 495 CD1 PHE A 29 -5.132 6.110 2.070 1.00 0.00 C ATOM 496 CD2 PHE A 29 -4.719 5.196 -0.149 1.00 0.00 C ATOM 497 CE1 PHE A 29 -6.330 5.384 2.151 1.00 0.00 C ATOM 498 CE2 PHE A 29 -5.906 4.449 -0.057 1.00 0.00 C ATOM 499 CZ PHE A 29 -6.716 4.555 1.086 1.00 0.00 C ATOM 0 H PHE A 29 -1.129 8.258 2.602 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.343 6.398 2.629 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.486 8.000 1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.851 7.005 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.817 6.722 2.902 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.099 5.120 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.953 5.463 3.030 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.195 3.793 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.639 3.997 1.145 1.00 0.00 H new ATOM 509 N ARG A 30 -0.211 4.978 1.907 1.00 0.00 N ATOM 510 CA ARG A 30 0.636 3.824 1.657 1.00 0.00 C ATOM 511 C ARG A 30 0.920 3.127 2.986 1.00 0.00 C ATOM 512 O ARG A 30 0.844 1.903 3.063 1.00 0.00 O ATOM 513 CB ARG A 30 1.899 4.249 0.887 1.00 0.00 C ATOM 514 CG ARG A 30 2.650 5.436 1.512 1.00 0.00 C ATOM 515 CD ARG A 30 3.789 5.931 0.611 1.00 0.00 C ATOM 516 NE ARG A 30 4.977 5.065 0.658 1.00 0.00 N ATOM 517 CZ ARG A 30 5.932 5.113 1.604 1.00 0.00 C ATOM 518 NH1 ARG A 30 5.771 5.856 2.709 1.00 0.00 N ATOM 519 NH2 ARG A 30 7.061 4.416 1.435 1.00 0.00 N ATOM 0 H ARG A 30 0.072 5.499 2.737 1.00 0.00 H new ATOM 0 HA ARG A 30 0.135 3.098 1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.576 3.397 0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.618 4.508 -0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.951 6.252 1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.055 5.140 2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.431 5.992 -0.417 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.070 6.940 0.911 1.00 0.00 H new ATOM 0 HE ARG A 30 5.085 4.374 -0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.915 6.395 2.841 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.504 5.882 3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.192 3.854 0.594 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.791 4.446 2.147 1.00 0.00 H new ATOM 533 N LYS A 31 1.179 3.908 4.045 1.00 0.00 N ATOM 534 CA LYS A 31 1.285 3.403 5.401 1.00 0.00 C ATOM 535 C LYS A 31 -0.088 3.014 5.945 1.00 0.00 C ATOM 536 O LYS A 31 -0.236 1.922 6.481 1.00 0.00 O ATOM 537 CB LYS A 31 1.980 4.419 6.306 1.00 0.00 C ATOM 538 CG LYS A 31 2.327 3.762 7.650 1.00 0.00 C ATOM 539 CD LYS A 31 3.377 4.536 8.455 1.00 0.00 C ATOM 540 CE LYS A 31 4.786 4.354 7.873 1.00 0.00 C ATOM 541 NZ LYS A 31 5.774 4.925 8.769 1.00 0.00 N ATOM 0 H LYS A 31 1.320 4.916 3.972 1.00 0.00 H new ATOM 0 HA LYS A 31 1.899 2.503 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.886 4.788 5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.332 5.280 6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.419 3.670 8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.692 2.751 7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.121 5.595 8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.364 4.197 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.991 3.294 7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.849 4.834 6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.724 4.796 8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.585 5.940 8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.722 4.448 9.692 1.00 0.00 H new ATOM 554 N PHE A 32 -1.090 3.893 5.814 1.00 0.00 N ATOM 555 CA PHE A 32 -2.443 3.626 6.307 1.00 0.00 C ATOM 556 C PHE A 32 -2.974 2.293 5.768 1.00 0.00 C ATOM 557 O PHE A 32 -3.532 1.485 6.508 1.00 0.00 O ATOM 558 CB PHE A 32 -3.394 4.775 5.919 1.00 0.00 C ATOM 559 CG PHE A 32 -4.810 4.733 6.499 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.151 3.893 7.584 1.00 0.00 C ATOM 561 CD2 PHE A 32 -5.819 5.523 5.910 1.00 0.00 C ATOM 562 CE1 PHE A 32 -6.460 3.875 8.092 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.130 5.499 6.416 1.00 0.00 C ATOM 564 CZ PHE A 32 -7.451 4.684 7.512 1.00 0.00 C ATOM 0 H PHE A 32 -0.985 4.803 5.366 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.397 3.559 7.394 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.932 5.714 6.223 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.474 4.796 4.832 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.397 3.259 8.027 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.582 6.151 5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.705 3.239 8.929 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.894 6.111 5.959 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.456 4.679 7.908 1.00 0.00 H new ATOM 574 N VAL A 33 -2.802 2.074 4.461 1.00 0.00 N ATOM 575 CA VAL A 33 -3.178 0.831 3.804 1.00 0.00 C ATOM 576 C VAL A 33 -2.376 -0.340 4.380 1.00 0.00 C ATOM 577 O VAL A 33 -2.915 -1.434 4.537 1.00 0.00 O ATOM 578 CB VAL A 33 -3.014 0.978 2.279 1.00 0.00 C ATOM 579 CG1 VAL A 33 -3.455 -0.299 1.551 1.00 0.00 C ATOM 580 CG2 VAL A 33 -3.855 2.142 1.733 1.00 0.00 C ATOM 0 H VAL A 33 -2.394 2.763 3.829 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.228 0.612 3.996 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.956 1.169 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.329 -0.167 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.847 -1.138 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.504 -0.500 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.716 2.217 0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.908 1.964 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.539 3.072 2.205 1.00 0.00 H new ATOM 590 N GLN A 34 -1.109 -0.097 4.737 1.00 0.00 N ATOM 591 CA GLN A 34 -0.226 -1.087 5.319 1.00 0.00 C ATOM 592 C GLN A 34 -0.739 -1.527 6.690 1.00 0.00 C ATOM 593 O GLN A 34 -0.796 -2.725 6.931 1.00 0.00 O ATOM 594 CB GLN A 34 1.237 -0.616 5.208 1.00 0.00 C ATOM 595 CG GLN A 34 2.286 -1.693 5.519 1.00 0.00 C ATOM 596 CD GLN A 34 2.547 -1.926 7.001 1.00 0.00 C ATOM 597 OE1 GLN A 34 1.857 -1.188 7.867 1.00 0.00 O flip ATOM 598 NE2 GLN A 34 3.363 -2.769 7.361 1.00 0.00 N flip ATOM 0 H GLN A 34 -0.670 0.816 4.622 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.232 -2.020 4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.408 -0.243 4.198 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.386 0.223 5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.965 -2.633 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.224 -1.415 5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.872 -3.315 6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.532 -2.924 8.355 1.00 0.00 H new ATOM 607 N ILE A 35 -1.124 -0.602 7.582 1.00 0.00 N ATOM 608 CA ILE A 35 -1.592 -0.957 8.924 1.00 0.00 C ATOM 609 C ILE A 35 -2.670 -2.028 8.858 1.00 0.00 C ATOM 610 O ILE A 35 -2.528 -3.075 9.482 1.00 0.00 O ATOM 611 CB ILE A 35 -2.152 0.283 9.658 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.147 1.436 9.833 1.00 0.00 C ATOM 613 CG2 ILE A 35 -2.756 -0.097 11.020 1.00 0.00 C ATOM 614 CD1 ILE A 35 0.119 1.072 10.610 1.00 0.00 C ATOM 0 H ILE A 35 -1.119 0.401 7.394 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.736 -1.345 9.476 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.934 0.660 8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.859 1.801 8.847 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.646 2.259 10.344 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.141 0.798 11.510 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.569 -0.808 10.872 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.987 -0.551 11.645 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.766 1.946 10.682 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.152 0.738 11.611 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.647 0.272 10.091 1.00 0.00 H new ATOM 626 N HIS A 36 -3.751 -1.759 8.123 1.00 0.00 N ATOM 627 CA HIS A 36 -4.906 -2.638 8.113 1.00 0.00 C ATOM 628 C HIS A 36 -4.575 -3.938 7.386 1.00 0.00 C ATOM 629 O HIS A 36 -4.931 -5.009 7.872 1.00 0.00 O ATOM 630 CB HIS A 36 -6.128 -1.899 7.570 1.00 0.00 C ATOM 631 CG HIS A 36 -6.707 -0.978 8.616 1.00 0.00 C ATOM 632 ND1 HIS A 36 -7.858 -1.325 9.325 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.234 0.215 9.101 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.039 -0.327 10.196 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.092 0.619 10.103 1.00 0.00 N ATOM 0 H HIS A 36 -3.844 -0.936 7.528 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.168 -2.930 9.130 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.848 -1.324 6.688 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.883 -2.619 7.255 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.354 0.740 8.761 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.859 -0.287 10.898 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.021 1.469 10.663 1.00 0.00 H new ATOM 643 N ALA A 37 -3.840 -3.851 6.271 1.00 0.00 N ATOM 644 CA ALA A 37 -3.275 -5.012 5.595 1.00 0.00 C ATOM 645 C ALA A 37 -2.562 -5.949 6.580 1.00 0.00 C ATOM 646 O ALA A 37 -2.888 -7.129 6.663 1.00 0.00 O ATOM 647 CB ALA A 37 -2.317 -4.537 4.497 1.00 0.00 C ATOM 0 H ALA A 37 -3.623 -2.965 5.814 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.086 -5.585 5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.891 -5.401 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.862 -3.924 3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.516 -3.947 4.943 1.00 0.00 H new ATOM 653 N ILE A 38 -1.607 -5.414 7.346 1.00 0.00 N ATOM 654 CA ILE A 38 -0.782 -6.151 8.294 1.00 0.00 C ATOM 655 C ILE A 38 -1.605 -6.638 9.487 1.00 0.00 C ATOM 656 O ILE A 38 -1.408 -7.765 9.938 1.00 0.00 O ATOM 657 CB ILE A 38 0.446 -5.298 8.686 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.634 -5.658 7.779 1.00 0.00 C ATOM 659 CG2 ILE A 38 0.876 -5.437 10.151 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.335 -5.414 6.298 1.00 0.00 C ATOM 0 H ILE A 38 -1.383 -4.419 7.318 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.402 -7.058 7.824 1.00 0.00 H new ATOM 0 HB ILE A 38 0.140 -4.260 8.553 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.503 -5.069 8.073 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.895 -6.706 7.926 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.744 -4.804 10.337 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.057 -5.130 10.801 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.133 -6.476 10.358 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.206 -5.684 5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.484 -6.023 5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.102 -4.361 6.143 1.00 0.00 H new ATOM 672 N ARG A 39 -2.546 -5.823 9.973 1.00 0.00 N ATOM 673 CA ARG A 39 -3.467 -6.219 11.023 1.00 0.00 C ATOM 674 C ARG A 39 -4.299 -7.435 10.599 1.00 0.00 C ATOM 675 O ARG A 39 -4.536 -8.320 11.418 1.00 0.00 O ATOM 676 CB ARG A 39 -4.301 -4.993 11.419 1.00 0.00 C ATOM 677 CG ARG A 39 -4.940 -5.106 12.801 1.00 0.00 C ATOM 678 CD ARG A 39 -6.341 -5.718 12.748 1.00 0.00 C ATOM 679 NE ARG A 39 -6.902 -5.874 14.096 1.00 0.00 N ATOM 680 CZ ARG A 39 -8.043 -6.527 14.372 1.00 0.00 C ATOM 681 NH1 ARG A 39 -8.811 -7.008 13.385 1.00 0.00 N ATOM 682 NH2 ARG A 39 -8.414 -6.705 15.647 1.00 0.00 N ATOM 0 H ARG A 39 -2.684 -4.868 9.643 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.927 -6.552 11.910 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.665 -4.108 11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.085 -4.843 10.677 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.304 -5.716 13.443 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.996 -4.116 13.254 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.995 -5.084 12.150 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.299 -6.689 12.254 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.391 -5.459 14.875 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.531 -6.880 12.413 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.675 -7.502 13.606 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.831 -6.345 16.403 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.279 -7.200 15.862 1.00 0.00 H new ATOM 696 N LEU A 40 -4.691 -7.510 9.323 1.00 0.00 N ATOM 697 CA LEU A 40 -5.421 -8.643 8.764 1.00 0.00 C ATOM 698 C LEU A 40 -4.510 -9.632 8.020 1.00 0.00 C ATOM 699 O LEU A 40 -5.012 -10.450 7.249 1.00 0.00 O ATOM 700 CB LEU A 40 -6.556 -8.117 7.879 1.00 0.00 C ATOM 701 CG LEU A 40 -7.518 -7.209 8.666 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.589 -6.694 7.709 1.00 0.00 C ATOM 703 CD2 LEU A 40 -8.192 -7.933 9.840 1.00 0.00 C ATOM 0 H LEU A 40 -4.505 -6.773 8.643 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.847 -9.219 9.585 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.136 -7.562 7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.110 -8.957 7.460 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.935 -6.391 9.088 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.280 -6.048 8.250 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.117 -6.128 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.135 -7.537 7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.859 -7.244 10.358 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.766 -8.780 9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.430 -8.290 10.533 1.00 0.00 H new ATOM 715 N GLY A 41 -3.193 -9.600 8.276 1.00 0.00 N ATOM 716 CA GLY A 41 -2.239 -10.579 7.768 1.00 0.00 C ATOM 717 C GLY A 41 -2.280 -10.727 6.246 1.00 0.00 C ATOM 718 O GLY A 41 -2.480 -11.829 5.738 1.00 0.00 O ATOM 0 H GLY A 41 -2.761 -8.878 8.852 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.233 -10.288 8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.443 -11.547 8.226 1.00 0.00 H new ATOM 722 N ILE A 42 -2.085 -9.617 5.527 1.00 0.00 N ATOM 723 CA ILE A 42 -2.109 -9.539 4.074 1.00 0.00 C ATOM 724 C ILE A 42 -0.673 -9.423 3.560 1.00 0.00 C ATOM 725 O ILE A 42 0.158 -8.759 4.181 1.00 0.00 O ATOM 726 CB ILE A 42 -2.969 -8.332 3.655 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.452 -8.512 4.021 1.00 0.00 C ATOM 728 CG2 ILE A 42 -2.827 -7.945 2.181 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.187 -9.571 3.195 1.00 0.00 C ATOM 0 H ILE A 42 -1.899 -8.715 5.965 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.551 -10.436 3.640 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.568 -7.501 4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.523 -8.779 5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.962 -7.556 3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.464 -7.087 1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.789 -7.687 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.126 -8.785 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.226 -9.630 3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.152 -9.298 2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.707 -10.540 3.335 1.00 0.00 H new ATOM 741 N LYS A 43 -0.400 -10.063 2.416 1.00 0.00 N ATOM 742 CA LYS A 43 0.850 -9.932 1.672 1.00 0.00 C ATOM 743 C LYS A 43 0.599 -9.050 0.453 1.00 0.00 C ATOM 744 O LYS A 43 -0.553 -8.746 0.156 1.00 0.00 O ATOM 745 CB LYS A 43 1.368 -11.296 1.217 1.00 0.00 C ATOM 746 CG LYS A 43 1.570 -12.235 2.399 1.00 0.00 C ATOM 747 CD LYS A 43 2.220 -13.546 1.934 1.00 0.00 C ATOM 748 CE LYS A 43 2.817 -14.272 3.138 1.00 0.00 C ATOM 749 NZ LYS A 43 1.790 -14.461 4.140 1.00 0.00 N ATOM 0 H LYS A 43 -1.062 -10.701 1.975 1.00 0.00 H new ATOM 0 HA LYS A 43 1.603 -9.486 2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.662 -11.739 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.311 -11.170 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.199 -11.756 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.611 -12.445 2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.479 -14.178 1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.997 -13.338 1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.224 -15.236 2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.644 -13.695 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.081 -15.211 4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.650 -13.574 4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.899 -14.733 3.677 1.00 0.00 H new ATOM 762 N GLY A 44 1.654 -8.656 -0.269 1.00 0.00 N ATOM 763 CA GLY A 44 1.514 -7.892 -1.504 1.00 0.00 C ATOM 764 C GLY A 44 2.483 -6.715 -1.567 1.00 0.00 C ATOM 765 O GLY A 44 3.638 -6.857 -1.172 1.00 0.00 O ATOM 0 H GLY A 44 2.620 -8.858 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.687 -8.549 -2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.492 -7.523 -1.587 1.00 0.00 H new ATOM 769 N TYR A 45 2.016 -5.552 -2.051 1.00 0.00 N ATOM 770 CA TYR A 45 2.809 -4.327 -2.026 1.00 0.00 C ATOM 771 C TYR A 45 1.966 -3.080 -2.322 1.00 0.00 C ATOM 772 O TYR A 45 1.041 -3.135 -3.131 1.00 0.00 O ATOM 773 CB TYR A 45 3.969 -4.421 -3.028 1.00 0.00 C ATOM 774 CG TYR A 45 5.291 -3.849 -2.562 1.00 0.00 C ATOM 775 CD1 TYR A 45 6.224 -4.688 -1.923 1.00 0.00 C ATOM 776 CD2 TYR A 45 5.630 -2.512 -2.841 1.00 0.00 C ATOM 777 CE1 TYR A 45 7.471 -4.181 -1.521 1.00 0.00 C ATOM 778 CE2 TYR A 45 6.881 -2.013 -2.438 1.00 0.00 C ATOM 779 CZ TYR A 45 7.781 -2.831 -1.741 1.00 0.00 C ATOM 780 OH TYR A 45 8.960 -2.318 -1.283 1.00 0.00 O ATOM 0 H TYR A 45 1.090 -5.442 -2.464 1.00 0.00 H new ATOM 0 HA TYR A 45 3.204 -4.224 -1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.119 -5.470 -3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.675 -3.908 -3.944 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.980 -5.724 -1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.933 -1.873 -3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.190 -4.830 -1.043 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.150 -0.993 -2.667 1.00 0.00 H new ATOM 0 HH TYR A 45 9.018 -1.369 -1.521 1.00 0.00 H new ATOM 790 N ALA A 46 2.324 -1.957 -1.679 1.00 0.00 N ATOM 791 CA ALA A 46 1.711 -0.640 -1.847 1.00 0.00 C ATOM 792 C ALA A 46 2.640 0.235 -2.675 1.00 0.00 C ATOM 793 O ALA A 46 3.450 0.976 -2.122 1.00 0.00 O ATOM 794 CB ALA A 46 1.462 0.013 -0.477 1.00 0.00 C ATOM 0 H ALA A 46 3.084 -1.948 -0.998 1.00 0.00 H new ATOM 0 HA ALA A 46 0.753 -0.749 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.005 0.993 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.794 -0.617 0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.410 0.127 0.049 1.00 0.00 H new ATOM 800 N LYS A 47 2.532 0.138 -3.999 1.00 0.00 N ATOM 801 CA LYS A 47 3.450 0.779 -4.913 1.00 0.00 C ATOM 802 C LYS A 47 2.893 2.120 -5.369 1.00 0.00 C ATOM 803 O LYS A 47 2.048 2.187 -6.260 1.00 0.00 O ATOM 804 CB LYS A 47 3.795 -0.173 -6.056 1.00 0.00 C ATOM 805 CG LYS A 47 4.709 0.484 -7.099 1.00 0.00 C ATOM 806 CD LYS A 47 5.142 -0.474 -8.215 1.00 0.00 C ATOM 807 CE LYS A 47 6.009 -1.627 -7.693 1.00 0.00 C ATOM 808 NZ LYS A 47 6.612 -2.338 -8.805 1.00 0.00 N ATOM 0 H LYS A 47 1.796 -0.394 -4.462 1.00 0.00 H new ATOM 0 HA LYS A 47 4.390 1.004 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.284 -1.060 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.877 -0.507 -6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.191 1.335 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.596 0.874 -6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.257 -0.881 -8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.697 0.081 -8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.786 -1.239 -7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.401 -2.311 -7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.197 -3.117 -8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.865 -2.723 -9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.207 -1.684 -9.353 1.00 0.00 H new ATOM 821 N ASN A 48 3.398 3.196 -4.762 1.00 0.00 N ATOM 822 CA ASN A 48 3.125 4.545 -5.212 1.00 0.00 C ATOM 823 C ASN A 48 3.808 4.770 -6.562 1.00 0.00 C ATOM 824 O ASN A 48 5.033 4.718 -6.636 1.00 0.00 O ATOM 825 CB ASN A 48 3.609 5.545 -4.155 1.00 0.00 C ATOM 826 CG ASN A 48 3.169 6.969 -4.492 1.00 0.00 C ATOM 827 OD1 ASN A 48 3.741 7.610 -5.371 1.00 0.00 O ATOM 828 ND2 ASN A 48 2.135 7.462 -3.806 1.00 0.00 N ATOM 0 H ASN A 48 4.007 3.147 -3.945 1.00 0.00 H new ATOM 0 HA ASN A 48 2.053 4.694 -5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.216 5.263 -3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.696 5.505 -4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.793 8.402 -4.004 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.687 6.898 -3.084 1.00 0.00 H new ATOM 835 N LEU A 49 3.025 5.008 -7.622 1.00 0.00 N ATOM 836 CA LEU A 49 3.524 5.367 -8.941 1.00 0.00 C ATOM 837 C LEU A 49 3.526 6.900 -9.041 1.00 0.00 C ATOM 838 O LEU A 49 2.483 7.470 -9.357 1.00 0.00 O ATOM 839 CB LEU A 49 2.604 4.764 -10.010 1.00 0.00 C ATOM 840 CG LEU A 49 2.449 3.238 -9.918 1.00 0.00 C ATOM 841 CD1 LEU A 49 1.243 2.817 -10.761 1.00 0.00 C ATOM 842 CD2 LEU A 49 3.705 2.502 -10.398 1.00 0.00 C ATOM 0 H LEU A 49 2.007 4.953 -7.578 1.00 0.00 H new ATOM 0 HA LEU A 49 4.532 4.983 -9.096 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.619 5.224 -9.927 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.994 5.020 -10.995 1.00 0.00 H new ATOM 0 HG LEU A 49 2.299 2.969 -8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.120 1.735 -10.706 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.345 3.304 -10.381 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.404 3.111 -11.798 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.550 1.426 -10.315 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.903 2.761 -11.438 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.556 2.795 -9.783 1.00 0.00 H new ATOM 854 N PRO A 50 4.638 7.598 -8.747 1.00 0.00 N ATOM 855 CA PRO A 50 4.641 9.051 -8.636 1.00 0.00 C ATOM 856 C PRO A 50 4.219 9.703 -9.954 1.00 0.00 C ATOM 857 O PRO A 50 4.543 9.200 -11.029 1.00 0.00 O ATOM 858 CB PRO A 50 6.058 9.440 -8.216 1.00 0.00 C ATOM 859 CG PRO A 50 6.903 8.283 -8.744 1.00 0.00 C ATOM 860 CD PRO A 50 5.981 7.083 -8.538 1.00 0.00 C ATOM 0 HA PRO A 50 3.919 9.403 -7.899 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.361 10.392 -8.651 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.145 9.542 -7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.166 8.418 -9.793 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.837 8.177 -8.192 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.211 6.284 -9.242 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.093 6.667 -7.537 1.00 0.00 H new ATOM 868 N ASP A 51 3.443 10.791 -9.848 1.00 0.00 N ATOM 869 CA ASP A 51 2.699 11.388 -10.949 1.00 0.00 C ATOM 870 C ASP A 51 1.807 10.326 -11.604 1.00 0.00 C ATOM 871 O ASP A 51 1.968 10.000 -12.778 1.00 0.00 O ATOM 872 CB ASP A 51 3.655 12.086 -11.930 1.00 0.00 C ATOM 873 CG ASP A 51 2.909 12.892 -12.993 1.00 0.00 C ATOM 874 OD1 ASP A 51 3.080 12.633 -14.182 1.00 0.00 O ATOM 875 OD2 ASP A 51 2.091 13.880 -12.529 1.00 0.00 O ATOM 0 H ASP A 51 3.317 11.288 -8.966 1.00 0.00 H new ATOM 0 HA ASP A 51 2.036 12.168 -10.576 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.321 12.748 -11.376 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.281 11.339 -12.417 1.00 0.00 H new ATOM 881 N GLY A 52 0.871 9.774 -10.822 1.00 0.00 N ATOM 882 CA GLY A 52 -0.002 8.702 -11.262 1.00 0.00 C ATOM 883 C GLY A 52 -0.991 8.335 -10.157 1.00 0.00 C ATOM 884 O GLY A 52 -1.703 9.201 -9.653 1.00 0.00 O ATOM 0 H GLY A 52 0.705 10.068 -9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.544 9.009 -12.157 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.591 7.829 -11.533 1.00 0.00 H new ATOM 888 N SER A 53 -1.037 7.044 -9.812 1.00 0.00 N ATOM 889 CA SER A 53 -1.974 6.440 -8.871 1.00 0.00 C ATOM 890 C SER A 53 -1.198 5.614 -7.845 1.00 0.00 C ATOM 891 O SER A 53 -0.139 5.075 -8.170 1.00 0.00 O ATOM 892 CB SER A 53 -2.955 5.558 -9.654 1.00 0.00 C ATOM 893 OG SER A 53 -2.297 4.781 -10.634 1.00 0.00 O ATOM 0 H SER A 53 -0.388 6.362 -10.203 1.00 0.00 H new ATOM 0 HA SER A 53 -2.534 7.209 -8.340 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.483 4.900 -8.963 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.706 6.186 -10.133 1.00 0.00 H new ATOM 0 HG SER A 53 -2.533 5.111 -11.526 1.00 0.00 H new ATOM 899 N VAL A 54 -1.702 5.504 -6.606 1.00 0.00 N ATOM 900 CA VAL A 54 -1.111 4.591 -5.634 1.00 0.00 C ATOM 901 C VAL A 54 -1.667 3.193 -5.891 1.00 0.00 C ATOM 902 O VAL A 54 -2.795 2.867 -5.526 1.00 0.00 O ATOM 903 CB VAL A 54 -1.188 5.105 -4.185 1.00 0.00 C ATOM 904 CG1 VAL A 54 -2.596 5.348 -3.639 1.00 0.00 C ATOM 905 CG2 VAL A 54 -0.443 4.154 -3.237 1.00 0.00 C ATOM 0 H VAL A 54 -2.506 6.030 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.032 4.533 -5.774 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.713 6.085 -4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.531 5.708 -2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.101 6.093 -4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.161 4.416 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.508 4.533 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.895 3.164 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.604 4.090 -3.535 1.00 0.00 H new ATOM 915 N GLU A 55 -0.859 2.391 -6.590 1.00 0.00 N ATOM 916 CA GLU A 55 -1.202 1.057 -7.037 1.00 0.00 C ATOM 917 C GLU A 55 -0.974 0.092 -5.884 1.00 0.00 C ATOM 918 O GLU A 55 0.119 0.039 -5.326 1.00 0.00 O ATOM 919 CB GLU A 55 -0.332 0.709 -8.253 1.00 0.00 C ATOM 920 CG GLU A 55 -0.465 -0.747 -8.724 1.00 0.00 C ATOM 921 CD GLU A 55 0.779 -1.565 -8.384 1.00 0.00 C ATOM 922 OE1 GLU A 55 1.647 -1.718 -9.239 1.00 0.00 O ATOM 923 OE2 GLU A 55 0.843 -2.080 -7.124 1.00 0.00 O ATOM 0 H GLU A 55 0.082 2.671 -6.865 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.247 0.991 -7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.597 1.372 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.712 0.906 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.339 -1.202 -8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.631 -0.768 -9.801 1.00 0.00 H new ATOM 931 N VAL A 56 -2.009 -0.671 -5.538 1.00 0.00 N ATOM 932 CA VAL A 56 -1.957 -1.696 -4.514 1.00 0.00 C ATOM 933 C VAL A 56 -2.129 -3.046 -5.202 1.00 0.00 C ATOM 934 O VAL A 56 -3.120 -3.248 -5.897 1.00 0.00 O ATOM 935 CB VAL A 56 -3.060 -1.418 -3.480 1.00 0.00 C ATOM 936 CG1 VAL A 56 -3.305 -2.618 -2.559 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.675 -0.196 -2.637 1.00 0.00 C ATOM 0 H VAL A 56 -2.926 -0.586 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.006 -1.699 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.984 -1.227 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.092 -2.374 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.609 -3.478 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.388 -2.856 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.457 0.001 -1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.735 -0.391 -2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.559 0.672 -3.286 1.00 0.00 H new ATOM 947 N VAL A 57 -1.188 -3.971 -4.986 1.00 0.00 N ATOM 948 CA VAL A 57 -1.399 -5.389 -5.246 1.00 0.00 C ATOM 949 C VAL A 57 -1.305 -6.072 -3.889 1.00 0.00 C ATOM 950 O VAL A 57 -0.277 -6.654 -3.563 1.00 0.00 O ATOM 951 CB VAL A 57 -0.393 -5.942 -6.277 1.00 0.00 C ATOM 952 CG1 VAL A 57 -0.623 -7.443 -6.523 1.00 0.00 C ATOM 953 CG2 VAL A 57 -0.559 -5.246 -7.632 1.00 0.00 C ATOM 0 H VAL A 57 -0.259 -3.752 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.371 -5.577 -5.701 1.00 0.00 H new ATOM 0 HB VAL A 57 0.601 -5.764 -5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.099 -7.807 -7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.499 -7.988 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.633 -7.599 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.161 -5.654 -8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.569 -5.413 -8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.387 -4.176 -7.515 1.00 0.00 H new ATOM 963 N ALA A 58 -2.380 -5.970 -3.101 1.00 0.00 N ATOM 964 CA ALA A 58 -2.564 -6.679 -1.840 1.00 0.00 C ATOM 965 C ALA A 58 -3.117 -8.070 -2.133 1.00 0.00 C ATOM 966 O ALA A 58 -3.590 -8.306 -3.241 1.00 0.00 O ATOM 967 CB ALA A 58 -3.535 -5.888 -0.965 1.00 0.00 C ATOM 0 H ALA A 58 -3.171 -5.370 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.615 -6.779 -1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.680 -6.410 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.127 -4.896 -0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.492 -5.794 -1.477 1.00 0.00 H new ATOM 973 N GLU A 59 -3.017 -9.001 -1.173 1.00 0.00 N ATOM 974 CA GLU A 59 -3.367 -10.393 -1.408 1.00 0.00 C ATOM 975 C GLU A 59 -4.124 -10.978 -0.216 1.00 0.00 C ATOM 976 O GLU A 59 -3.492 -11.263 0.802 1.00 0.00 O ATOM 977 CB GLU A 59 -2.080 -11.199 -1.676 1.00 0.00 C ATOM 978 CG GLU A 59 -1.236 -10.596 -2.810 1.00 0.00 C ATOM 979 CD GLU A 59 -0.044 -11.476 -3.178 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.900 -11.589 -2.397 1.00 0.00 O ATOM 981 OE2 GLU A 59 -0.117 -12.082 -4.397 1.00 0.00 O ATOM 0 H GLU A 59 -2.694 -8.805 -0.225 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.023 -10.451 -2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.483 -11.239 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.344 -12.226 -1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.864 -10.452 -3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.878 -9.611 -2.509 1.00 0.00 H new ATOM 989 N GLY A 60 -5.449 -11.169 -0.324 1.00 0.00 N ATOM 990 CA GLY A 60 -6.234 -11.737 0.764 1.00 0.00 C ATOM 991 C GLY A 60 -7.247 -12.769 0.288 1.00 0.00 C ATOM 992 O GLY A 60 -7.566 -12.857 -0.897 1.00 0.00 O ATOM 0 H GLY A 60 -5.991 -10.936 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.562 -12.201 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.757 -10.935 1.285 1.00 0.00 H new ATOM 996 N TYR A 61 -7.785 -13.523 1.256 1.00 0.00 N ATOM 997 CA TYR A 61 -9.010 -14.285 1.114 1.00 0.00 C ATOM 998 C TYR A 61 -10.181 -13.308 0.980 1.00 0.00 C ATOM 999 O TYR A 61 -10.014 -12.105 1.167 1.00 0.00 O ATOM 1000 CB TYR A 61 -9.201 -15.134 2.372 1.00 0.00 C ATOM 1001 CG TYR A 61 -8.240 -16.290 2.547 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -7.038 -16.112 3.259 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -8.613 -17.577 2.121 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -6.216 -17.218 3.541 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -7.791 -18.682 2.402 1.00 0.00 C ATOM 1006 CZ TYR A 61 -6.589 -18.501 3.107 1.00 0.00 C ATOM 1007 OH TYR A 61 -5.782 -19.569 3.368 1.00 0.00 O ATOM 0 H TYR A 61 -7.361 -13.615 2.179 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.963 -14.928 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.116 -14.483 3.242 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.217 -15.530 2.368 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.747 -15.126 3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.535 -17.717 1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.297 -17.081 4.092 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.083 -19.669 2.076 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.187 -20.382 3.000 1.00 0.00 H new ATOM 1017 N GLU A 62 -11.381 -13.828 0.709 1.00 0.00 N ATOM 1018 CA GLU A 62 -12.585 -13.010 0.630 1.00 0.00 C ATOM 1019 C GLU A 62 -13.085 -12.544 2.000 1.00 0.00 C ATOM 1020 O GLU A 62 -13.622 -11.441 2.106 1.00 0.00 O ATOM 1021 CB GLU A 62 -13.668 -13.687 -0.203 1.00 0.00 C ATOM 1022 CG GLU A 62 -14.087 -15.060 0.340 1.00 0.00 C ATOM 1023 CD GLU A 62 -15.108 -15.732 -0.572 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -16.265 -15.878 -0.183 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -14.643 -16.143 -1.786 1.00 0.00 O ATOM 0 H GLU A 62 -11.541 -14.821 0.540 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.310 -12.096 0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.543 -13.038 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.310 -13.803 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.208 -15.698 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.509 -14.945 1.338 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.869 -13.341 3.055 1.00 0.00 N ATOM 1034 CA GLU A 63 -13.180 -12.953 4.420 1.00 0.00 C ATOM 1035 C GLU A 63 -12.286 -11.812 4.918 1.00 0.00 C ATOM 1036 O GLU A 63 -12.668 -11.114 5.854 1.00 0.00 O ATOM 1037 CB GLU A 63 -13.147 -14.192 5.326 1.00 0.00 C ATOM 1038 CG GLU A 63 -11.796 -14.922 5.431 1.00 0.00 C ATOM 1039 CD GLU A 63 -10.732 -14.193 6.252 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -11.064 -13.449 7.172 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -9.440 -14.443 5.897 1.00 0.00 O ATOM 0 H GLU A 63 -12.471 -14.277 2.975 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.191 -12.546 4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.453 -13.892 6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.892 -14.901 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.964 -15.905 5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.409 -15.086 4.425 1.00 0.00 H new ATOM 1049 N ALA A 64 -11.123 -11.604 4.283 1.00 0.00 N ATOM 1050 CA ALA A 64 -10.259 -10.457 4.524 1.00 0.00 C ATOM 1051 C ALA A 64 -10.405 -9.396 3.430 1.00 0.00 C ATOM 1052 O ALA A 64 -9.920 -8.280 3.613 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.806 -10.930 4.623 1.00 0.00 C ATOM 0 H ALA A 64 -10.757 -12.243 3.577 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.559 -9.992 5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.156 -10.074 4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.709 -11.639 5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.517 -11.415 3.691 1.00 0.00 H new ATOM 1059 N LEU A 65 -11.067 -9.719 2.307 1.00 0.00 N ATOM 1060 CA LEU A 65 -11.229 -8.784 1.207 1.00 0.00 C ATOM 1061 C LEU A 65 -12.144 -7.656 1.662 1.00 0.00 C ATOM 1062 O LEU A 65 -11.667 -6.552 1.892 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.734 -9.496 -0.046 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.703 -8.610 -1.288 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -10.268 -8.308 -1.722 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -12.392 -9.361 -2.419 1.00 0.00 C ATOM 0 H LEU A 65 -11.497 -10.630 2.147 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.267 -8.352 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.125 -10.383 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.755 -9.839 0.124 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.203 -7.669 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.282 -7.675 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.745 -7.792 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.753 -9.241 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.384 -8.748 -3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.864 -10.295 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.422 -9.578 -2.137 1.00 0.00 H new ATOM 1078 N SER A 66 -13.438 -7.951 1.838 1.00 0.00 N ATOM 1079 CA SER A 66 -14.453 -7.016 2.308 1.00 0.00 C ATOM 1080 C SER A 66 -13.995 -6.157 3.488 1.00 0.00 C ATOM 1081 O SER A 66 -14.378 -4.995 3.562 1.00 0.00 O ATOM 1082 CB SER A 66 -15.727 -7.791 2.667 1.00 0.00 C ATOM 1083 OG SER A 66 -15.456 -8.797 3.625 1.00 0.00 O ATOM 0 H SER A 66 -13.814 -8.880 1.649 1.00 0.00 H new ATOM 0 HA SER A 66 -14.650 -6.319 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.477 -7.104 3.059 1.00 0.00 H new ATOM 0 HB3 SER A 66 -16.147 -8.243 1.769 1.00 0.00 H new ATOM 0 HG SER A 66 -16.284 -9.276 3.839 1.00 0.00 H new ATOM 1089 N LYS A 67 -13.174 -6.708 4.389 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.662 -6.005 5.556 1.00 0.00 C ATOM 1091 C LYS A 67 -11.678 -4.905 5.147 1.00 0.00 C ATOM 1092 O LYS A 67 -11.886 -3.742 5.489 1.00 0.00 O ATOM 1093 CB LYS A 67 -12.023 -7.013 6.518 1.00 0.00 C ATOM 1094 CG LYS A 67 -13.042 -7.703 7.438 1.00 0.00 C ATOM 1095 CD LYS A 67 -14.240 -8.312 6.694 1.00 0.00 C ATOM 1096 CE LYS A 67 -15.103 -9.204 7.594 1.00 0.00 C ATOM 1097 NZ LYS A 67 -15.598 -8.461 8.739 1.00 0.00 N ATOM 0 H LYS A 67 -12.845 -7.671 4.321 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.487 -5.513 6.071 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.493 -7.771 5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.280 -6.501 7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.537 -8.490 7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.409 -6.979 8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.855 -7.510 6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.878 -8.897 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.942 -9.601 7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.518 -10.058 7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.286 -9.042 9.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.804 -8.220 9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.059 -7.588 8.413 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.614 -5.257 4.411 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.613 -4.306 3.939 1.00 0.00 C ATOM 1112 C LEU A 68 -10.188 -3.392 2.843 1.00 0.00 C ATOM 1113 O LEU A 68 -9.708 -2.276 2.655 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.366 -5.100 3.516 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.068 -4.325 3.216 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -6.896 -3.988 1.739 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.863 -3.047 4.024 1.00 0.00 C ATOM 0 H LEU A 68 -10.428 -6.219 4.127 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.316 -3.620 4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.148 -5.820 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.624 -5.672 2.625 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.305 -5.038 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.963 -3.443 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.871 -4.909 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.731 -3.371 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.921 -2.581 3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.684 -2.357 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.837 -3.289 5.087 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.256 -3.820 2.160 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.958 -3.002 1.188 1.00 0.00 C ATOM 1131 C LEU A 69 -12.779 -1.925 1.899 1.00 0.00 C ATOM 1132 O LEU A 69 -12.549 -0.742 1.664 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.820 -3.885 0.268 1.00 0.00 C ATOM 1134 CG LEU A 69 -12.132 -4.331 -1.036 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -12.111 -3.195 -2.061 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -10.702 -4.844 -0.845 1.00 0.00 C ATOM 0 H LEU A 69 -11.654 -4.752 2.274 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.234 -2.490 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.125 -4.773 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.729 -3.340 0.014 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.732 -5.166 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.620 -3.536 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.133 -2.893 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.565 -2.345 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.289 -5.138 -1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.087 -4.055 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.711 -5.705 -0.177 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.728 -2.305 2.761 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.609 -1.337 3.410 1.00 0.00 C ATOM 1150 C GLU A 70 -13.826 -0.348 4.283 1.00 0.00 C ATOM 1151 O GLU A 70 -14.199 0.817 4.357 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.761 -2.043 4.137 1.00 0.00 C ATOM 1153 CG GLU A 70 -15.365 -2.672 5.476 1.00 0.00 C ATOM 1154 CD GLU A 70 -16.474 -3.571 6.018 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -17.650 -3.247 5.865 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -16.065 -4.711 6.645 1.00 0.00 O ATOM 0 H GLU A 70 -13.903 -3.275 3.023 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.075 -0.722 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.562 -1.324 4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.164 -2.821 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.452 -3.253 5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.146 -1.886 6.199 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.711 -0.792 4.879 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.670 0.052 5.467 1.00 0.00 C ATOM 1166 C ARG A 71 -11.325 1.246 4.569 1.00 0.00 C ATOM 1167 O ARG A 71 -11.296 2.382 5.036 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.451 -0.847 5.742 1.00 0.00 C ATOM 1169 CG ARG A 71 -9.067 -0.218 5.578 1.00 0.00 C ATOM 1170 CD ARG A 71 -8.759 0.906 6.570 1.00 0.00 C ATOM 1171 NE ARG A 71 -7.465 1.497 6.215 1.00 0.00 N ATOM 1172 CZ ARG A 71 -7.285 2.334 5.180 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -8.325 2.929 4.583 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -6.049 2.568 4.731 1.00 0.00 N ATOM 0 H ARG A 71 -12.505 -1.787 4.966 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.022 0.493 6.400 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.532 -1.223 6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.511 -1.709 5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.313 -0.997 5.686 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.978 0.174 4.565 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.542 1.663 6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.731 0.516 7.588 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.655 1.259 6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.273 2.750 4.913 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.169 3.562 3.798 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.251 2.112 5.174 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.903 3.202 3.946 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.035 0.996 3.289 1.00 0.00 N ATOM 1189 CA ILE A 72 -10.712 2.040 2.324 1.00 0.00 C ATOM 1190 C ILE A 72 -11.934 2.914 2.052 1.00 0.00 C ATOM 1191 O ILE A 72 -11.838 4.135 2.148 1.00 0.00 O ATOM 1192 CB ILE A 72 -10.108 1.434 1.050 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -8.707 0.870 1.352 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -10.044 2.473 -0.078 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -8.359 -0.242 0.358 1.00 0.00 C ATOM 0 H ILE A 72 -11.019 0.055 2.895 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.949 2.694 2.745 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.751 0.621 0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.966 1.667 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.675 0.481 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.612 2.017 -0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -11.050 2.828 -0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.425 3.313 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.366 -0.633 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.092 -1.045 0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.371 0.159 -0.655 1.00 0.00 H new ATOM 1207 N LYS A 73 -13.067 2.308 1.688 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.232 3.065 1.249 1.00 0.00 C ATOM 1209 C LYS A 73 -14.713 4.011 2.360 1.00 0.00 C ATOM 1210 O LYS A 73 -15.029 5.170 2.096 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.329 2.100 0.770 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.083 1.575 -0.661 1.00 0.00 C ATOM 1213 CD LYS A 73 -13.895 0.609 -0.799 1.00 0.00 C ATOM 1214 CE LYS A 73 -13.606 0.200 -2.246 1.00 0.00 C ATOM 1215 NZ LYS A 73 -14.666 -0.643 -2.766 1.00 0.00 N ATOM 0 H LYS A 73 -13.198 1.296 1.690 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.962 3.696 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.388 1.255 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.293 2.607 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.985 1.071 -1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.919 2.426 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.005 1.077 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.094 -0.286 -0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.506 1.090 -2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.656 -0.331 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.424 -0.950 -3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.777 -1.477 -2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.557 -0.107 -2.786 1.00 0.00 H new ATOM 1228 N GLN A 74 -14.723 3.522 3.607 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.027 4.284 4.811 1.00 0.00 C ATOM 1230 C GLN A 74 -13.910 5.281 5.142 1.00 0.00 C ATOM 1231 O GLN A 74 -14.203 6.408 5.535 1.00 0.00 O ATOM 1232 CB GLN A 74 -15.274 3.300 5.966 1.00 0.00 C ATOM 1233 CG GLN A 74 -15.727 3.987 7.264 1.00 0.00 C ATOM 1234 CD GLN A 74 -14.562 4.517 8.103 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -13.588 3.807 8.342 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -14.660 5.766 8.558 1.00 0.00 N ATOM 0 H GLN A 74 -14.510 2.544 3.805 1.00 0.00 H new ATOM 0 HA GLN A 74 -15.926 4.878 4.648 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -16.031 2.577 5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.359 2.741 6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.394 4.813 7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.303 3.279 7.860 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.484 6.325 8.339 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -13.911 6.162 9.125 1.00 0.00 H new ATOM 1245 N GLY A 75 -12.644 4.862 5.011 1.00 0.00 N ATOM 1246 CA GLY A 75 -11.458 5.643 5.343 1.00 0.00 C ATOM 1247 C GLY A 75 -10.665 6.004 4.082 1.00 0.00 C ATOM 1248 O GLY A 75 -9.652 5.359 3.806 1.00 0.00 O ATOM 0 H GLY A 75 -12.416 3.933 4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.753 6.554 5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.824 5.076 6.025 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.102 7.011 3.305 1.00 0.00 N ATOM 1253 CA PRO A 76 -10.492 7.385 2.032 1.00 0.00 C ATOM 1254 C PRO A 76 -9.097 7.995 2.217 1.00 0.00 C ATOM 1255 O PRO A 76 -8.705 8.311 3.339 1.00 0.00 O ATOM 1256 CB PRO A 76 -11.467 8.398 1.412 1.00 0.00 C ATOM 1257 CG PRO A 76 -12.142 9.029 2.624 1.00 0.00 C ATOM 1258 CD PRO A 76 -12.265 7.840 3.570 1.00 0.00 C ATOM 0 HA PRO A 76 -10.337 6.516 1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.944 9.142 0.811 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.190 7.911 0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.543 9.832 3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.114 9.455 2.375 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.286 8.166 4.610 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.188 7.290 3.390 1.00 0.00 H new ATOM 1266 N PRO A 77 -8.337 8.182 1.123 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.067 8.894 1.151 1.00 0.00 C ATOM 1268 C PRO A 77 -7.277 10.375 1.477 1.00 0.00 C ATOM 1269 O PRO A 77 -8.381 10.900 1.332 1.00 0.00 O ATOM 1270 CB PRO A 77 -6.465 8.716 -0.246 1.00 0.00 C ATOM 1271 CG PRO A 77 -7.698 8.559 -1.128 1.00 0.00 C ATOM 1272 CD PRO A 77 -8.664 7.780 -0.239 1.00 0.00 C ATOM 0 HA PRO A 77 -6.404 8.504 1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.864 9.577 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.816 7.842 -0.298 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.110 9.525 -1.421 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.470 8.018 -2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.700 8.016 -0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.542 6.705 -0.372 1.00 0.00 H new ATOM 1280 N ALA A 78 -6.201 11.054 1.893 1.00 0.00 N ATOM 1281 CA ALA A 78 -6.227 12.462 2.274 1.00 0.00 C ATOM 1282 C ALA A 78 -6.174 13.386 1.050 1.00 0.00 C ATOM 1283 O ALA A 78 -5.589 14.465 1.121 1.00 0.00 O ATOM 1284 CB ALA A 78 -5.052 12.738 3.220 1.00 0.00 C ATOM 0 H ALA A 78 -5.277 10.630 1.974 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.168 12.672 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.060 13.788 3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.145 12.113 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.115 12.510 2.712 1.00 0.00 H new ATOM 1290 N ALA A 79 -6.776 12.973 -0.070 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.769 13.706 -1.323 1.00 0.00 C ATOM 1292 C ALA A 79 -8.038 13.396 -2.112 1.00 0.00 C ATOM 1293 O ALA A 79 -8.825 12.527 -1.736 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.536 13.330 -2.133 1.00 0.00 C ATOM 0 H ALA A 79 -7.293 12.095 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.739 14.776 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.535 13.883 -3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.639 13.577 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.550 12.260 -2.341 1.00 0.00 H new ATOM 1300 N GLU A 80 -8.205 14.106 -3.231 1.00 0.00 N ATOM 1301 CA GLU A 80 -9.292 13.912 -4.173 1.00 0.00 C ATOM 1302 C GLU A 80 -9.090 12.597 -4.931 1.00 0.00 C ATOM 1303 O GLU A 80 -8.492 12.575 -6.007 1.00 0.00 O ATOM 1304 CB GLU A 80 -9.360 15.131 -5.104 1.00 0.00 C ATOM 1305 CG GLU A 80 -10.533 15.058 -6.087 1.00 0.00 C ATOM 1306 CD GLU A 80 -10.598 16.326 -6.931 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -11.469 17.162 -6.699 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -9.646 16.446 -7.900 1.00 0.00 O ATOM 0 H GLU A 80 -7.565 14.851 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.248 13.833 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.449 16.037 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.427 15.209 -5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.420 14.188 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.467 14.929 -5.540 1.00 0.00 H new ATOM 1316 N VAL A 81 -9.613 11.505 -4.363 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.720 10.218 -5.029 1.00 0.00 C ATOM 1318 C VAL A 81 -10.721 10.328 -6.178 1.00 0.00 C ATOM 1319 O VAL A 81 -11.872 10.714 -5.980 1.00 0.00 O ATOM 1320 CB VAL A 81 -10.053 9.117 -4.005 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -11.410 9.269 -3.303 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.952 7.723 -4.632 1.00 0.00 C ATOM 0 H VAL A 81 -9.978 11.499 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.767 9.928 -5.472 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.297 9.238 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.551 8.446 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.436 10.215 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.208 9.254 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.193 6.969 -3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.653 7.646 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.938 7.561 -4.997 1.00 0.00 H new ATOM 1332 N GLU A 82 -10.252 10.016 -7.388 1.00 0.00 N ATOM 1333 CA GLU A 82 -11.053 9.985 -8.596 1.00 0.00 C ATOM 1334 C GLU A 82 -11.903 8.722 -8.549 1.00 0.00 C ATOM 1335 O GLU A 82 -13.130 8.805 -8.570 1.00 0.00 O ATOM 1336 CB GLU A 82 -10.119 10.032 -9.812 1.00 0.00 C ATOM 1337 CG GLU A 82 -10.880 9.976 -11.141 1.00 0.00 C ATOM 1338 CD GLU A 82 -9.915 10.027 -12.322 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -9.801 11.070 -12.965 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -9.228 8.879 -12.582 1.00 0.00 O ATOM 0 H GLU A 82 -9.275 9.772 -7.550 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.720 10.844 -8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.526 10.946 -9.775 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.421 9.197 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.471 9.061 -11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.579 10.811 -11.200 1.00 0.00 H new ATOM 1348 N LYS A 83 -11.243 7.562 -8.446 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.911 6.284 -8.246 1.00 0.00 C ATOM 1350 C LYS A 83 -10.896 5.220 -7.829 1.00 0.00 C ATOM 1351 O LYS A 83 -9.855 5.082 -8.462 1.00 0.00 O ATOM 1352 CB LYS A 83 -12.690 5.857 -9.509 1.00 0.00 C ATOM 1353 CG LYS A 83 -11.808 5.698 -10.758 1.00 0.00 C ATOM 1354 CD LYS A 83 -12.611 5.372 -12.024 1.00 0.00 C ATOM 1355 CE LYS A 83 -13.306 6.603 -12.618 1.00 0.00 C ATOM 1356 NZ LYS A 83 -13.957 6.244 -13.865 1.00 0.00 N ATOM 0 H LYS A 83 -10.227 7.490 -8.500 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.639 6.396 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.196 4.912 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.464 6.596 -9.714 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.246 6.618 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.080 4.906 -10.583 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.945 4.941 -12.771 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.360 4.615 -11.790 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.040 6.994 -11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.578 7.395 -12.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.427 7.081 -14.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.247 5.891 -14.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.664 5.502 -13.687 1.00 0.00 H new ATOM 1369 N VAL A 84 -11.194 4.437 -6.787 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.493 3.181 -6.556 1.00 0.00 C ATOM 1371 C VAL A 84 -11.212 2.088 -7.344 1.00 0.00 C ATOM 1372 O VAL A 84 -12.105 1.410 -6.836 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.285 2.904 -5.059 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.548 3.049 -4.204 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.631 1.530 -4.855 1.00 0.00 C ATOM 0 H VAL A 84 -11.913 4.654 -6.097 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.471 3.223 -6.931 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.613 3.685 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.309 2.835 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.929 4.067 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.306 2.348 -4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.490 1.349 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.274 0.755 -5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.664 1.509 -5.357 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.832 1.948 -8.616 1.00 0.00 N ATOM 1386 CA ASP A 85 -11.454 1.024 -9.548 1.00 0.00 C ATOM 1387 C ASP A 85 -10.751 -0.321 -9.406 1.00 0.00 C ATOM 1388 O ASP A 85 -9.915 -0.679 -10.236 1.00 0.00 O ATOM 1389 CB ASP A 85 -11.349 1.594 -10.967 1.00 0.00 C ATOM 1390 CG ASP A 85 -11.919 0.640 -12.012 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -13.041 0.168 -11.851 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -11.111 0.368 -13.076 1.00 0.00 O ATOM 0 H ASP A 85 -10.070 2.486 -9.028 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.514 0.885 -9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.881 2.544 -11.016 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.304 1.801 -11.198 1.00 0.00 H new ATOM 1398 N TYR A 86 -11.061 -1.043 -8.323 1.00 0.00 N ATOM 1399 CA TYR A 86 -10.353 -2.267 -8.001 1.00 0.00 C ATOM 1400 C TYR A 86 -10.843 -3.418 -8.876 1.00 0.00 C ATOM 1401 O TYR A 86 -11.991 -3.428 -9.318 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.421 -2.583 -6.498 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.413 -3.649 -6.072 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -12.785 -3.351 -5.982 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -10.952 -4.934 -5.718 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -13.687 -4.322 -5.515 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -11.851 -5.894 -5.226 1.00 0.00 C ATOM 1408 CZ TYR A 86 -13.219 -5.590 -5.124 1.00 0.00 C ATOM 1409 OH TYR A 86 -14.092 -6.522 -4.649 1.00 0.00 O ATOM 0 H TYR A 86 -11.797 -0.794 -7.662 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.296 -2.124 -8.227 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.428 -2.891 -6.169 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.661 -1.662 -5.967 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.145 -2.375 -6.272 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.906 -5.180 -5.825 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.741 -4.095 -5.456 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -11.491 -6.867 -4.926 1.00 0.00 H new ATOM 0 HH TYR A 86 -13.663 -7.403 -4.652 1.00 0.00 H new ATOM 1419 N SER A 87 -9.956 -4.383 -9.123 1.00 0.00 N ATOM 1420 CA SER A 87 -10.238 -5.541 -9.951 1.00 0.00 C ATOM 1421 C SER A 87 -9.387 -6.717 -9.482 1.00 0.00 C ATOM 1422 O SER A 87 -8.234 -6.859 -9.883 1.00 0.00 O ATOM 1423 CB SER A 87 -9.987 -5.215 -11.423 1.00 0.00 C ATOM 1424 OG SER A 87 -10.837 -4.170 -11.848 1.00 0.00 O ATOM 0 H SER A 87 -9.009 -4.375 -8.744 1.00 0.00 H new ATOM 0 HA SER A 87 -11.288 -5.816 -9.853 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.946 -4.926 -11.566 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.158 -6.102 -12.033 1.00 0.00 H new ATOM 0 HG SER A 87 -10.664 -3.971 -12.792 1.00 0.00 H new ATOM 1430 N PHE A 88 -9.980 -7.558 -8.634 1.00 0.00 N ATOM 1431 CA PHE A 88 -9.375 -8.750 -8.071 1.00 0.00 C ATOM 1432 C PHE A 88 -8.987 -9.740 -9.179 1.00 0.00 C ATOM 1433 O PHE A 88 -9.624 -9.758 -10.232 1.00 0.00 O ATOM 1434 CB PHE A 88 -10.382 -9.340 -7.074 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.487 -10.169 -7.705 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -12.648 -9.546 -8.203 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -11.312 -11.556 -7.874 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -13.627 -10.309 -8.864 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -12.294 -12.317 -8.530 1.00 0.00 C ATOM 1440 CZ PHE A 88 -13.450 -11.693 -9.028 1.00 0.00 C ATOM 0 H PHE A 88 -10.937 -7.414 -8.311 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.447 -8.516 -7.550 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -9.843 -9.962 -6.359 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.835 -8.525 -6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.786 -8.482 -8.077 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.420 -12.036 -7.498 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -14.516 -9.830 -9.246 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.160 -13.382 -8.651 1.00 0.00 H new ATOM 0 HZ PHE A 88 -14.202 -12.277 -9.537 1.00 0.00 H new ATOM 1450 N SER A 89 -7.969 -10.580 -8.935 1.00 0.00 N ATOM 1451 CA SER A 89 -7.662 -11.707 -9.822 1.00 0.00 C ATOM 1452 C SER A 89 -6.865 -12.764 -9.051 1.00 0.00 C ATOM 1453 O SER A 89 -6.540 -12.553 -7.887 1.00 0.00 O ATOM 1454 CB SER A 89 -6.869 -11.270 -11.064 1.00 0.00 C ATOM 1455 OG SER A 89 -7.355 -10.090 -11.663 1.00 0.00 O ATOM 0 H SER A 89 -7.347 -10.498 -8.131 1.00 0.00 H new ATOM 0 HA SER A 89 -8.609 -12.123 -10.166 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.826 -11.121 -10.784 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.890 -12.075 -11.799 1.00 0.00 H new ATOM 0 HG SER A 89 -6.806 -9.869 -12.444 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.553 -13.902 -9.690 1.00 0.00 N ATOM 1462 CA GLU A 90 -5.836 -14.998 -9.042 1.00 0.00 C ATOM 1463 C GLU A 90 -4.365 -14.624 -8.864 1.00 0.00 C ATOM 1464 O GLU A 90 -3.798 -13.934 -9.708 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.046 -16.324 -9.794 1.00 0.00 C ATOM 1466 CG GLU A 90 -5.145 -16.536 -11.023 1.00 0.00 C ATOM 1467 CD GLU A 90 -3.727 -16.981 -10.660 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -3.570 -17.922 -9.886 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -2.708 -16.274 -11.228 1.00 0.00 O ATOM 0 H GLU A 90 -6.791 -14.083 -10.665 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.246 -15.161 -8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.882 -17.147 -9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.087 -16.380 -10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.598 -17.284 -11.673 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.093 -15.608 -11.592 1.00 0.00 H new ATOM 1477 N TYR A 91 -3.758 -15.064 -7.758 1.00 0.00 N ATOM 1478 CA TYR A 91 -2.424 -14.679 -7.345 1.00 0.00 C ATOM 1479 C TYR A 91 -1.348 -15.171 -8.316 1.00 0.00 C ATOM 1480 O TYR A 91 -1.332 -16.333 -8.714 1.00 0.00 O ATOM 1481 CB TYR A 91 -2.190 -15.173 -5.914 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.020 -16.676 -5.773 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -3.145 -17.522 -5.758 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -0.729 -17.233 -5.738 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -2.981 -18.917 -5.729 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -0.564 -18.628 -5.702 1.00 0.00 C ATOM 1487 CZ TYR A 91 -1.690 -19.470 -5.701 1.00 0.00 C ATOM 1488 OH TYR A 91 -1.525 -20.825 -5.671 1.00 0.00 O ATOM 0 H TYR A 91 -4.203 -15.717 -7.113 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.346 -13.592 -7.363 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.301 -14.683 -5.518 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.030 -14.858 -5.295 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.138 -17.097 -5.769 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.137 -16.588 -5.739 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.846 -19.563 -5.728 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.428 -19.054 -5.675 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.569 -21.038 -5.655 1.00 0.00 H new ATOM 1498 N LYS A 92 -0.436 -14.265 -8.682 1.00 0.00 N ATOM 1499 CA LYS A 92 0.749 -14.577 -9.464 1.00 0.00 C ATOM 1500 C LYS A 92 1.707 -15.412 -8.611 1.00 0.00 C ATOM 1501 O LYS A 92 2.153 -16.476 -9.037 1.00 0.00 O ATOM 1502 CB LYS A 92 1.395 -13.261 -9.920 1.00 0.00 C ATOM 1503 CG LYS A 92 2.703 -13.455 -10.703 1.00 0.00 C ATOM 1504 CD LYS A 92 2.557 -14.258 -12.005 1.00 0.00 C ATOM 1505 CE LYS A 92 1.552 -13.617 -12.969 1.00 0.00 C ATOM 1506 NZ LYS A 92 1.613 -14.268 -14.265 1.00 0.00 N ATOM 0 H LYS A 92 -0.508 -13.278 -8.435 1.00 0.00 H new ATOM 0 HA LYS A 92 0.492 -15.160 -10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.686 -12.715 -10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.594 -12.642 -9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.117 -12.475 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.425 -13.959 -10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.528 -14.335 -12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.237 -15.273 -11.770 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.544 -13.697 -12.561 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.769 -12.554 -13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.927 -13.824 -14.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.571 -14.170 -14.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.385 -15.277 -14.158 1.00 0.00 H new ATOM 1519 N GLY A 93 2.014 -14.919 -7.405 1.00 0.00 N ATOM 1520 CA GLY A 93 2.890 -15.565 -6.447 1.00 0.00 C ATOM 1521 C GLY A 93 2.670 -14.949 -5.066 1.00 0.00 C ATOM 1522 O GLY A 93 1.830 -14.063 -4.905 1.00 0.00 O ATOM 0 H GLY A 93 1.643 -14.031 -7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.688 -16.636 -6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.930 -15.445 -6.750 1.00 0.00 H new ATOM 1526 N GLU A 94 3.438 -15.417 -4.077 1.00 0.00 N ATOM 1527 CA GLU A 94 3.451 -14.903 -2.718 1.00 0.00 C ATOM 1528 C GLU A 94 4.508 -13.803 -2.625 1.00 0.00 C ATOM 1529 O GLU A 94 5.702 -14.060 -2.753 1.00 0.00 O ATOM 1530 CB GLU A 94 3.661 -16.031 -1.695 1.00 0.00 C ATOM 1531 CG GLU A 94 4.812 -16.997 -2.008 1.00 0.00 C ATOM 1532 CD GLU A 94 5.059 -17.964 -0.854 1.00 0.00 C ATOM 1533 OE1 GLU A 94 4.727 -19.142 -0.969 1.00 0.00 O ATOM 1534 OE2 GLU A 94 5.656 -17.435 0.251 1.00 0.00 O ATOM 0 H GLU A 94 4.088 -16.191 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 94 2.482 -14.468 -2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.840 -15.583 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.738 -16.605 -1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.581 -17.560 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.720 -16.429 -2.209 1.00 0.00 H new ATOM 1542 N PHE A 95 4.051 -12.565 -2.437 1.00 0.00 N ATOM 1543 CA PHE A 95 4.897 -11.381 -2.431 1.00 0.00 C ATOM 1544 C PHE A 95 5.703 -11.257 -1.127 1.00 0.00 C ATOM 1545 O PHE A 95 6.689 -10.526 -1.105 1.00 0.00 O ATOM 1546 CB PHE A 95 4.028 -10.138 -2.654 1.00 0.00 C ATOM 1547 CG PHE A 95 3.542 -9.857 -4.074 1.00 0.00 C ATOM 1548 CD1 PHE A 95 3.102 -10.886 -4.931 1.00 0.00 C ATOM 1549 CD2 PHE A 95 3.475 -8.522 -4.521 1.00 0.00 C ATOM 1550 CE1 PHE A 95 2.603 -10.585 -6.210 1.00 0.00 C ATOM 1551 CE2 PHE A 95 2.951 -8.217 -5.788 1.00 0.00 C ATOM 1552 CZ PHE A 95 2.526 -9.250 -6.640 1.00 0.00 C ATOM 0 H PHE A 95 3.064 -12.358 -2.282 1.00 0.00 H new ATOM 0 HA PHE A 95 5.621 -11.471 -3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.152 -10.221 -2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.592 -9.269 -2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.149 -11.914 -4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.830 -7.726 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.278 -11.381 -6.863 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.875 -7.188 -6.107 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.141 -9.018 -7.622 1.00 0.00 H new ATOM 1562 N GLU A 96 5.294 -11.965 -0.061 1.00 0.00 N ATOM 1563 CA GLU A 96 5.952 -12.001 1.241 1.00 0.00 C ATOM 1564 C GLU A 96 5.881 -10.637 1.935 1.00 0.00 C ATOM 1565 O GLU A 96 6.714 -9.769 1.688 1.00 0.00 O ATOM 1566 CB GLU A 96 7.387 -12.541 1.141 1.00 0.00 C ATOM 1567 CG GLU A 96 7.413 -13.922 0.474 1.00 0.00 C ATOM 1568 CD GLU A 96 8.814 -14.525 0.505 1.00 0.00 C ATOM 1569 OE1 GLU A 96 9.070 -15.420 1.307 1.00 0.00 O ATOM 1570 OE2 GLU A 96 9.704 -14.008 -0.390 1.00 0.00 O ATOM 0 H GLU A 96 4.459 -12.550 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 96 5.407 -12.704 1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.001 -11.846 0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.824 -12.607 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.717 -14.588 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.074 -13.836 -0.558 1.00 0.00 H new ATOM 1578 N ASP A 97 4.868 -10.471 2.797 1.00 0.00 N ATOM 1579 CA ASP A 97 4.484 -9.225 3.452 1.00 0.00 C ATOM 1580 C ASP A 97 3.907 -8.231 2.443 1.00 0.00 C ATOM 1581 O ASP A 97 4.169 -8.318 1.244 1.00 0.00 O ATOM 1582 CB ASP A 97 5.630 -8.620 4.288 1.00 0.00 C ATOM 1583 CG ASP A 97 5.187 -7.402 5.100 1.00 0.00 C ATOM 1584 OD1 ASP A 97 4.109 -7.428 5.691 1.00 0.00 O ATOM 1585 OD2 ASP A 97 6.032 -6.332 5.095 1.00 0.00 O ATOM 0 H ASP A 97 4.265 -11.248 3.067 1.00 0.00 H new ATOM 0 HA ASP A 97 3.693 -9.462 4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.022 -9.380 4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.446 -8.333 3.625 1.00 0.00 H new ATOM 1591 N PHE A 98 3.085 -7.305 2.943 1.00 0.00 N ATOM 1592 CA PHE A 98 2.520 -6.208 2.183 1.00 0.00 C ATOM 1593 C PHE A 98 3.318 -4.953 2.528 1.00 0.00 C ATOM 1594 O PHE A 98 3.011 -4.290 3.516 1.00 0.00 O ATOM 1595 CB PHE A 98 1.036 -6.069 2.537 1.00 0.00 C ATOM 1596 CG PHE A 98 0.350 -4.934 1.815 1.00 0.00 C ATOM 1597 CD1 PHE A 98 -0.020 -5.099 0.475 1.00 0.00 C ATOM 1598 CD2 PHE A 98 0.203 -3.680 2.429 1.00 0.00 C ATOM 1599 CE1 PHE A 98 -0.520 -4.015 -0.260 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -0.353 -2.606 1.714 1.00 0.00 C ATOM 1601 CZ PHE A 98 -0.729 -2.779 0.371 1.00 0.00 C ATOM 0 H PHE A 98 2.790 -7.306 3.920 1.00 0.00 H new ATOM 0 HA PHE A 98 2.581 -6.379 1.108 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.525 -7.002 2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.939 -5.917 3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.080 -6.066 0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.518 -3.541 3.453 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.744 -4.131 -1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.491 -1.649 2.196 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.178 -1.962 -0.175 1.00 0.00 H new ATOM 1611 N GLU A 99 4.366 -4.650 1.753 1.00 0.00 N ATOM 1612 CA GLU A 99 5.292 -3.571 2.088 1.00 0.00 C ATOM 1613 C GLU A 99 5.140 -2.415 1.102 1.00 0.00 C ATOM 1614 O GLU A 99 4.573 -2.586 0.029 1.00 0.00 O ATOM 1615 CB GLU A 99 6.718 -4.124 2.149 1.00 0.00 C ATOM 1616 CG GLU A 99 7.690 -3.077 2.714 1.00 0.00 C ATOM 1617 CD GLU A 99 9.079 -3.646 2.983 1.00 0.00 C ATOM 1618 OE1 GLU A 99 9.340 -4.809 2.683 1.00 0.00 O ATOM 1619 OE2 GLU A 99 9.962 -2.781 3.557 1.00 0.00 O ATOM 0 H GLU A 99 4.591 -5.141 0.888 1.00 0.00 H new ATOM 0 HA GLU A 99 5.058 -3.167 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.739 -5.018 2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.039 -4.423 1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.772 -2.247 2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.283 -2.672 3.640 1.00 0.00 H new ATOM 1627 N THR A 100 5.602 -1.221 1.485 1.00 0.00 N ATOM 1628 CA THR A 100 5.295 0.009 0.778 1.00 0.00 C ATOM 1629 C THR A 100 6.491 0.505 -0.037 1.00 0.00 C ATOM 1630 O THR A 100 7.638 0.386 0.392 1.00 0.00 O ATOM 1631 CB THR A 100 4.754 1.061 1.761 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.791 1.849 2.307 1.00 0.00 O ATOM 1633 CG2 THR A 100 3.991 0.424 2.928 1.00 0.00 C ATOM 0 H THR A 100 6.202 -1.088 2.299 1.00 0.00 H new ATOM 0 HA THR A 100 4.508 -0.188 0.050 1.00 0.00 H new ATOM 0 HB THR A 100 4.077 1.684 1.176 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.411 2.507 2.925 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.628 1.206 3.595 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.145 -0.145 2.542 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.656 -0.242 3.477 1.00 0.00 H new ATOM 1641 N TYR A 101 6.204 1.058 -1.220 1.00 0.00 N ATOM 1642 CA TYR A 101 7.183 1.696 -2.088 1.00 0.00 C ATOM 1643 C TYR A 101 7.413 3.128 -1.611 1.00 0.00 C ATOM 1644 O TYR A 101 8.593 3.501 -1.443 1.00 0.00 O ATOM 1645 CB TYR A 101 6.626 1.673 -3.510 1.00 0.00 C ATOM 1646 CG TYR A 101 7.561 2.098 -4.616 1.00 0.00 C ATOM 1647 CD1 TYR A 101 8.333 1.134 -5.288 1.00 0.00 C ATOM 1648 CD2 TYR A 101 7.520 3.419 -5.096 1.00 0.00 C ATOM 1649 CE1 TYR A 101 9.195 1.526 -6.326 1.00 0.00 C ATOM 1650 CE2 TYR A 101 8.371 3.811 -6.143 1.00 0.00 C ATOM 1651 CZ TYR A 101 9.231 2.871 -6.737 1.00 0.00 C ATOM 1652 OH TYR A 101 10.095 3.266 -7.717 1.00 0.00 O ATOM 1653 OXT TYR A 101 6.397 3.824 -1.391 1.00 0.00 O ATOM 0 H TYR A 101 5.259 1.071 -1.604 1.00 0.00 H new ATOM 0 HA TYR A 101 8.139 1.173 -2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.285 0.660 -3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.748 2.318 -3.541 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.264 0.094 -5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.835 4.131 -4.660 1.00 0.00 H new ATOM 0 HE1 TYR A 101 9.829 0.796 -6.808 1.00 0.00 H new ATOM 0 HE2 TYR A 101 8.364 4.833 -6.491 1.00 0.00 H new ATOM 0 HH TYR A 101 9.989 4.227 -7.879 1.00 0.00 H new