USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=17 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 66 SER OG : rot -58:sc= 0.195 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 31 LYS NZ :NH3+ 148:sc= 0 (180deg=-1.34!) USER MOD Set 2.2: A 34 GLN :FLIP amide:sc= -0.941 F(o=-3.4,f=-0.94) USER MOD Single : A 14 LYS NZ :NH3+ 172:sc=-0.000113 (180deg=-0.0361) USER MOD Single : A 16 MET CE :methyl -130:sc= -0.189 (180deg=-2.92!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0.422 K(o=0.42,f=-6.5!) USER MOD Single : A 36 HIS : no HD1:sc= -0.0919 X(o=-0.092,f=-0.14) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.109) USER MOD Single : A 45 TYR OH : rot -28:sc= 0.198 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.583 K(o=-0.58,f=-2.7!) USER MOD Single : A 53 SER OG : rot -113:sc= 0.264 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= -0.0755 (180deg=-0.0755) USER MOD Single : A 74 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 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 -6.864 -18.271 -0.801 1.00 0.00 N ATOM 228 CA LEU A 13 -6.393 -16.900 -0.675 1.00 0.00 C ATOM 229 C LEU A 13 -5.848 -16.388 -2.007 1.00 0.00 C ATOM 230 O LEU A 13 -5.152 -17.114 -2.713 1.00 0.00 O ATOM 231 CB LEU A 13 -5.405 -16.803 0.498 1.00 0.00 C ATOM 232 CG LEU A 13 -3.990 -17.344 0.252 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.060 -16.215 -0.213 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.450 -17.905 1.572 1.00 0.00 C ATOM 0 HA LEU A 13 -7.222 -16.233 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.323 -15.756 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.831 -17.337 1.347 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.029 -18.116 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.060 -16.614 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.443 -15.787 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.016 -15.441 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.444 -18.295 1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.421 -17.112 2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.101 -18.708 1.919 1.00 0.00 H new ATOM 246 N LYS A 14 -6.225 -15.153 -2.358 1.00 0.00 N ATOM 247 CA LYS A 14 -6.020 -14.574 -3.686 1.00 0.00 C ATOM 248 C LYS A 14 -5.442 -13.159 -3.598 1.00 0.00 C ATOM 249 O LYS A 14 -5.204 -12.670 -2.495 1.00 0.00 O ATOM 250 CB LYS A 14 -7.348 -14.625 -4.455 1.00 0.00 C ATOM 251 CG LYS A 14 -8.492 -13.810 -3.839 1.00 0.00 C ATOM 252 CD LYS A 14 -8.320 -12.299 -4.001 1.00 0.00 C ATOM 253 CE LYS A 14 -9.601 -11.544 -3.671 1.00 0.00 C ATOM 254 NZ LYS A 14 -9.418 -10.143 -4.005 1.00 0.00 N ATOM 0 H LYS A 14 -6.691 -14.517 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.280 -15.158 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.175 -14.268 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.665 -15.665 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.432 -14.112 -4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.567 -14.048 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.517 -11.953 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.020 -12.075 -5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.439 -11.959 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.841 -11.652 -2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.325 -9.643 -3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.722 -9.720 -3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.076 -10.061 -4.984 1.00 0.00 H new ATOM 267 N ARG A 15 -5.263 -12.491 -4.752 1.00 0.00 N ATOM 268 CA ARG A 15 -4.776 -11.110 -4.827 1.00 0.00 C ATOM 269 C ARG A 15 -5.872 -10.100 -5.183 1.00 0.00 C ATOM 270 O ARG A 15 -6.633 -10.289 -6.132 1.00 0.00 O ATOM 271 CB ARG A 15 -3.577 -10.975 -5.781 1.00 0.00 C ATOM 272 CG ARG A 15 -3.907 -11.081 -7.272 1.00 0.00 C ATOM 273 CD ARG A 15 -2.638 -10.864 -8.106 1.00 0.00 C ATOM 274 NE ARG A 15 -2.775 -11.472 -9.433 1.00 0.00 N ATOM 275 CZ ARG A 15 -1.903 -11.356 -10.447 1.00 0.00 C ATOM 276 NH1 ARG A 15 -0.874 -10.499 -10.378 1.00 0.00 N ATOM 277 NH2 ARG A 15 -2.068 -12.116 -11.536 1.00 0.00 N ATOM 0 H ARG A 15 -5.456 -12.903 -5.665 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.439 -10.865 -3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.097 -10.013 -5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.848 -11.746 -5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.333 -12.061 -7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.660 -10.340 -7.540 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.443 -9.796 -8.209 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.780 -11.296 -7.590 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.609 -12.035 -9.601 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.745 -9.923 -9.546 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.220 -10.423 -11.157 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.848 -12.772 -11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.414 -12.040 -12.315 1.00 0.00 H new ATOM 291 N MET A 16 -5.883 -8.975 -4.464 1.00 0.00 N ATOM 292 CA MET A 16 -6.499 -7.743 -4.928 1.00 0.00 C ATOM 293 C MET A 16 -5.566 -7.079 -5.936 1.00 0.00 C ATOM 294 O MET A 16 -4.360 -7.322 -5.943 1.00 0.00 O ATOM 295 CB MET A 16 -6.793 -6.830 -3.740 1.00 0.00 C ATOM 296 CG MET A 16 -7.658 -5.615 -4.094 1.00 0.00 C ATOM 297 SD MET A 16 -8.155 -4.653 -2.648 1.00 0.00 S ATOM 298 CE MET A 16 -6.596 -3.801 -2.322 1.00 0.00 C ATOM 0 H MET A 16 -5.461 -8.899 -3.539 1.00 0.00 H new ATOM 0 HA MET A 16 -7.449 -7.952 -5.420 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.295 -7.408 -2.964 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.850 -6.483 -3.318 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.106 -4.971 -4.779 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.550 -5.953 -4.622 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.333 -3.913 -1.270 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.809 -4.232 -2.941 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.704 -2.742 -2.558 1.00 0.00 H new ATOM 308 N TYR A 17 -6.154 -6.231 -6.776 1.00 0.00 N ATOM 309 CA TYR A 17 -5.465 -5.379 -7.727 1.00 0.00 C ATOM 310 C TYR A 17 -6.236 -4.066 -7.799 1.00 0.00 C ATOM 311 O TYR A 17 -7.135 -3.903 -8.621 1.00 0.00 O ATOM 312 CB TYR A 17 -5.321 -6.095 -9.083 1.00 0.00 C ATOM 313 CG TYR A 17 -5.025 -5.202 -10.277 1.00 0.00 C ATOM 314 CD1 TYR A 17 -4.094 -4.149 -10.179 1.00 0.00 C ATOM 315 CD2 TYR A 17 -5.750 -5.376 -11.471 1.00 0.00 C ATOM 316 CE1 TYR A 17 -3.920 -3.261 -11.256 1.00 0.00 C ATOM 317 CE2 TYR A 17 -5.580 -4.484 -12.544 1.00 0.00 C ATOM 318 CZ TYR A 17 -4.667 -3.422 -12.434 1.00 0.00 C ATOM 319 OH TYR A 17 -4.500 -2.544 -13.464 1.00 0.00 O ATOM 0 H TYR A 17 -7.167 -6.118 -6.810 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.444 -5.160 -7.414 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.523 -6.833 -8.999 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.242 -6.642 -9.283 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.514 -4.024 -9.277 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.442 -6.200 -11.563 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.209 -2.452 -11.176 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.150 -4.615 -13.452 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.089 -2.794 -14.206 1.00 0.00 H new ATOM 329 N ALA A 18 -5.874 -3.135 -6.912 1.00 0.00 N ATOM 330 CA ALA A 18 -6.479 -1.822 -6.831 1.00 0.00 C ATOM 331 C ALA A 18 -5.572 -0.793 -7.479 1.00 0.00 C ATOM 332 O ALA A 18 -4.586 -0.347 -6.896 1.00 0.00 O ATOM 333 CB ALA A 18 -6.781 -1.475 -5.385 1.00 0.00 C ATOM 0 H ALA A 18 -5.138 -3.285 -6.222 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.424 -1.822 -7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.236 -0.486 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.469 -2.212 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.856 -1.478 -4.809 1.00 0.00 H new ATOM 339 N ARG A 19 -5.946 -0.403 -8.694 1.00 0.00 N ATOM 340 CA ARG A 19 -5.314 0.671 -9.429 1.00 0.00 C ATOM 341 C ARG A 19 -5.960 1.967 -8.936 1.00 0.00 C ATOM 342 O ARG A 19 -7.072 2.294 -9.349 1.00 0.00 O ATOM 343 CB ARG A 19 -5.480 0.431 -10.939 1.00 0.00 C ATOM 344 CG ARG A 19 -4.299 0.981 -11.747 1.00 0.00 C ATOM 345 CD ARG A 19 -3.914 2.403 -11.333 1.00 0.00 C ATOM 346 NE ARG A 19 -3.117 3.055 -12.382 1.00 0.00 N ATOM 347 CZ ARG A 19 -1.803 3.338 -12.333 1.00 0.00 C ATOM 348 NH1 ARG A 19 -1.054 3.009 -11.271 1.00 0.00 N ATOM 349 NH2 ARG A 19 -1.232 3.974 -13.365 1.00 0.00 N ATOM 0 H ARG A 19 -6.716 -0.840 -9.201 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.239 0.728 -9.261 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.579 -0.638 -11.126 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.402 0.901 -11.281 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.439 0.324 -11.619 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.553 0.971 -12.807 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.814 2.986 -11.139 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.346 2.375 -10.403 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.611 3.320 -13.234 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.479 2.533 -10.475 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.059 3.235 -11.259 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.793 4.238 -14.175 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.236 4.195 -13.340 1.00 0.00 H new ATOM 363 N VAL A 20 -5.299 2.661 -8.002 1.00 0.00 N ATOM 364 CA VAL A 20 -5.887 3.796 -7.298 1.00 0.00 C ATOM 365 C VAL A 20 -5.408 5.104 -7.924 1.00 0.00 C ATOM 366 O VAL A 20 -4.211 5.384 -7.960 1.00 0.00 O ATOM 367 CB VAL A 20 -5.591 3.725 -5.792 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.402 4.791 -5.045 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.926 2.332 -5.241 1.00 0.00 C ATOM 0 H VAL A 20 -4.343 2.448 -7.717 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.971 3.757 -7.403 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.528 3.913 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.185 4.732 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.132 5.780 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.466 4.620 -5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.710 2.301 -4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.983 2.121 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.323 1.583 -5.755 1.00 0.00 H new ATOM 379 N TYR A 21 -6.369 5.890 -8.419 1.00 0.00 N ATOM 380 CA TYR A 21 -6.158 7.141 -9.127 1.00 0.00 C ATOM 381 C TYR A 21 -6.463 8.326 -8.215 1.00 0.00 C ATOM 382 O TYR A 21 -7.363 8.242 -7.380 1.00 0.00 O ATOM 383 CB TYR A 21 -7.101 7.183 -10.333 1.00 0.00 C ATOM 384 CG TYR A 21 -6.810 6.132 -11.388 1.00 0.00 C ATOM 385 CD1 TYR A 21 -7.346 4.838 -11.261 1.00 0.00 C ATOM 386 CD2 TYR A 21 -6.008 6.448 -12.499 1.00 0.00 C ATOM 387 CE1 TYR A 21 -7.115 3.875 -12.256 1.00 0.00 C ATOM 388 CE2 TYR A 21 -5.734 5.469 -13.469 1.00 0.00 C ATOM 389 CZ TYR A 21 -6.291 4.184 -13.351 1.00 0.00 C ATOM 390 OH TYR A 21 -6.019 3.232 -14.290 1.00 0.00 O ATOM 0 H TYR A 21 -7.357 5.654 -8.329 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.118 7.203 -9.449 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.126 7.056 -9.983 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.041 8.169 -10.793 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.938 4.584 -10.394 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.603 7.443 -12.607 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.570 2.898 -12.180 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.094 5.704 -14.307 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.435 3.611 -14.980 1.00 0.00 H new ATOM 400 N GLY A 22 -5.748 9.438 -8.423 1.00 0.00 N ATOM 401 CA GLY A 22 -6.048 10.726 -7.816 1.00 0.00 C ATOM 402 C GLY A 22 -4.809 11.377 -7.218 1.00 0.00 C ATOM 403 O GLY A 22 -3.686 11.019 -7.566 1.00 0.00 O ATOM 0 H GLY A 22 -4.930 9.461 -9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.479 11.389 -8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.800 10.594 -7.038 1.00 0.00 H new ATOM 407 N LEU A 23 -5.022 12.320 -6.292 1.00 0.00 N ATOM 408 CA LEU A 23 -3.950 12.994 -5.566 1.00 0.00 C ATOM 409 C LEU A 23 -3.561 12.209 -4.304 1.00 0.00 C ATOM 410 O LEU A 23 -2.977 12.764 -3.375 1.00 0.00 O ATOM 411 CB LEU A 23 -4.375 14.438 -5.271 1.00 0.00 C ATOM 412 CG LEU A 23 -3.208 15.410 -5.011 1.00 0.00 C ATOM 413 CD1 LEU A 23 -2.415 15.720 -6.288 1.00 0.00 C ATOM 414 CD2 LEU A 23 -3.766 16.722 -4.449 1.00 0.00 C ATOM 0 H LEU A 23 -5.955 12.636 -6.026 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.050 13.031 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.960 14.810 -6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.032 14.439 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.532 14.932 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.603 16.409 -6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.002 14.796 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.076 16.175 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.946 17.416 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.456 17.162 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.293 16.523 -3.516 1.00 0.00 H new ATOM 426 N VAL A 24 -3.868 10.905 -4.276 1.00 0.00 N ATOM 427 CA VAL A 24 -3.492 9.995 -3.199 1.00 0.00 C ATOM 428 C VAL A 24 -1.971 9.867 -3.067 1.00 0.00 C ATOM 429 O VAL A 24 -1.473 9.550 -1.988 1.00 0.00 O ATOM 430 CB VAL A 24 -4.175 8.630 -3.388 1.00 0.00 C ATOM 431 CG1 VAL A 24 -5.702 8.759 -3.322 1.00 0.00 C ATOM 432 CG2 VAL A 24 -3.776 7.950 -4.700 1.00 0.00 C ATOM 0 H VAL A 24 -4.396 10.449 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.845 10.417 -2.258 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.829 8.003 -2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.156 7.778 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.992 9.161 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.045 9.431 -4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.287 6.991 -4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.059 8.585 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.698 7.790 -4.713 1.00 0.00 H new ATOM 442 N GLN A 25 -1.239 10.132 -4.157 1.00 0.00 N ATOM 443 CA GLN A 25 0.211 10.183 -4.172 1.00 0.00 C ATOM 444 C GLN A 25 0.726 11.183 -3.135 1.00 0.00 C ATOM 445 O GLN A 25 0.222 12.301 -3.045 1.00 0.00 O ATOM 446 CB GLN A 25 0.705 10.542 -5.581 1.00 0.00 C ATOM 447 CG GLN A 25 1.680 9.481 -6.091 1.00 0.00 C ATOM 448 CD GLN A 25 0.989 8.185 -6.524 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.080 7.851 -6.023 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.597 7.441 -7.452 1.00 0.00 N ATOM 0 H GLN A 25 -1.657 10.320 -5.068 1.00 0.00 H new ATOM 0 HA GLN A 25 0.604 9.201 -3.908 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.143 10.622 -6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.194 11.516 -5.565 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.239 9.886 -6.934 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.404 9.255 -5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.485 7.747 -7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.173 6.567 -7.764 1.00 0.00 H new ATOM 459 N GLY A 26 1.717 10.764 -2.337 1.00 0.00 N ATOM 460 CA GLY A 26 2.321 11.589 -1.303 1.00 0.00 C ATOM 461 C GLY A 26 1.484 11.594 -0.023 1.00 0.00 C ATOM 462 O GLY A 26 2.010 11.295 1.049 1.00 0.00 O ATOM 0 H GLY A 26 2.121 9.829 -2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.322 11.220 -1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.431 12.609 -1.670 1.00 0.00 H new ATOM 466 N VAL A 27 0.196 11.941 -0.142 1.00 0.00 N ATOM 467 CA VAL A 27 -0.739 12.099 0.965 1.00 0.00 C ATOM 468 C VAL A 27 -1.107 10.725 1.540 1.00 0.00 C ATOM 469 O VAL A 27 -2.189 10.202 1.276 1.00 0.00 O ATOM 470 CB VAL A 27 -1.987 12.864 0.484 1.00 0.00 C ATOM 471 CG1 VAL A 27 -2.931 13.181 1.656 1.00 0.00 C ATOM 472 CG2 VAL A 27 -1.642 14.190 -0.206 1.00 0.00 C ATOM 0 H VAL A 27 -0.234 12.125 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.272 12.679 1.761 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.472 12.203 -0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.802 13.721 1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.253 12.251 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.408 13.795 2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.560 14.685 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.105 14.834 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.015 13.995 -1.076 1.00 0.00 H new ATOM 482 N GLY A 28 -0.197 10.149 2.334 1.00 0.00 N ATOM 483 CA GLY A 28 -0.374 8.862 2.986 1.00 0.00 C ATOM 484 C GLY A 28 -0.804 7.803 1.975 1.00 0.00 C ATOM 485 O GLY A 28 -0.066 7.530 1.030 1.00 0.00 O ATOM 0 H GLY A 28 0.703 10.582 2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.558 8.559 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.123 8.947 3.773 1.00 0.00 H new ATOM 489 N PHE A 29 -2.014 7.258 2.173 1.00 0.00 N ATOM 490 CA PHE A 29 -2.692 6.287 1.327 1.00 0.00 C ATOM 491 C PHE A 29 -1.948 4.951 1.212 1.00 0.00 C ATOM 492 O PHE A 29 -2.432 3.933 1.700 1.00 0.00 O ATOM 493 CB PHE A 29 -3.037 6.885 -0.040 1.00 0.00 C ATOM 494 CG PHE A 29 -3.634 5.847 -0.969 1.00 0.00 C ATOM 495 CD1 PHE A 29 -4.898 5.304 -0.674 1.00 0.00 C ATOM 496 CD2 PHE A 29 -2.799 5.200 -1.900 1.00 0.00 C ATOM 497 CE1 PHE A 29 -5.306 4.100 -1.271 1.00 0.00 C ATOM 498 CE2 PHE A 29 -3.197 3.985 -2.479 1.00 0.00 C ATOM 499 CZ PHE A 29 -4.438 3.423 -2.141 1.00 0.00 C ATOM 0 H PHE A 29 -2.576 7.507 2.987 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.630 6.046 1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.742 7.707 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.138 7.304 -0.492 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.556 5.814 0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.850 5.640 -2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.285 3.696 -1.061 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.550 3.483 -3.183 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.726 2.467 -2.552 1.00 0.00 H new ATOM 509 N ARG A 30 -0.790 4.944 0.545 1.00 0.00 N ATOM 510 CA ARG A 30 0.048 3.769 0.355 1.00 0.00 C ATOM 511 C ARG A 30 0.434 3.149 1.701 1.00 0.00 C ATOM 512 O ARG A 30 0.489 1.928 1.828 1.00 0.00 O ATOM 513 CB ARG A 30 1.262 4.147 -0.503 1.00 0.00 C ATOM 514 CG ARG A 30 2.232 5.137 0.158 1.00 0.00 C ATOM 515 CD ARG A 30 2.891 5.989 -0.928 1.00 0.00 C ATOM 516 NE ARG A 30 3.990 6.809 -0.404 1.00 0.00 N ATOM 517 CZ ARG A 30 3.851 7.990 0.223 1.00 0.00 C ATOM 518 NH1 ARG A 30 2.638 8.487 0.512 1.00 0.00 N ATOM 519 NH2 ARG A 30 4.944 8.683 0.567 1.00 0.00 N ATOM 0 H ARG A 30 -0.404 5.783 0.112 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.508 2.999 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.808 3.238 -0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.908 4.577 -1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.698 5.773 0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.991 4.598 0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.270 5.339 -1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.142 6.637 -1.382 1.00 0.00 H new ATOM 0 HE ARG A 30 4.938 6.453 -0.526 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.799 7.967 0.255 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.555 9.385 0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.870 8.314 0.353 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.850 9.580 1.043 1.00 0.00 H new ATOM 533 N LYS A 31 0.642 4.001 2.715 1.00 0.00 N ATOM 534 CA LYS A 31 0.837 3.589 4.090 1.00 0.00 C ATOM 535 C LYS A 31 -0.496 3.132 4.702 1.00 0.00 C ATOM 536 O LYS A 31 -0.548 2.082 5.329 1.00 0.00 O ATOM 537 CB LYS A 31 1.484 4.728 4.896 1.00 0.00 C ATOM 538 CG LYS A 31 2.677 4.252 5.736 1.00 0.00 C ATOM 539 CD LYS A 31 2.294 3.243 6.825 1.00 0.00 C ATOM 540 CE LYS A 31 3.539 2.871 7.637 1.00 0.00 C ATOM 541 NZ LYS A 31 3.202 1.891 8.651 1.00 0.00 N ATOM 0 H LYS A 31 0.678 5.012 2.588 1.00 0.00 H new ATOM 0 HA LYS A 31 1.517 2.738 4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.815 5.510 4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.737 5.174 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.418 3.800 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.151 5.116 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.534 3.669 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.861 2.350 6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.307 2.471 6.975 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.955 3.762 8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.017 1.266 8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.957 2.378 9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.390 1.325 8.331 1.00 0.00 H new ATOM 554 N PHE A 32 -1.572 3.912 4.530 1.00 0.00 N ATOM 555 CA PHE A 32 -2.883 3.655 5.125 1.00 0.00 C ATOM 556 C PHE A 32 -3.406 2.246 4.806 1.00 0.00 C ATOM 557 O PHE A 32 -3.814 1.509 5.703 1.00 0.00 O ATOM 558 CB PHE A 32 -3.868 4.725 4.629 1.00 0.00 C ATOM 559 CG PHE A 32 -5.233 4.811 5.292 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.556 4.088 6.460 1.00 0.00 C ATOM 561 CD2 PHE A 32 -6.177 5.707 4.758 1.00 0.00 C ATOM 562 CE1 PHE A 32 -6.801 4.266 7.085 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.406 5.913 5.407 1.00 0.00 C ATOM 564 CZ PHE A 32 -7.720 5.195 6.571 1.00 0.00 C ATOM 0 H PHE A 32 -1.551 4.757 3.960 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.785 3.707 6.209 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.385 5.696 4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.026 4.563 3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.841 3.393 6.876 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.956 6.239 3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.052 3.688 7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.112 6.627 5.008 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.664 5.356 7.069 1.00 0.00 H new ATOM 574 N VAL A 33 -3.386 1.865 3.524 1.00 0.00 N ATOM 575 CA VAL A 33 -3.792 0.533 3.093 1.00 0.00 C ATOM 576 C VAL A 33 -2.887 -0.532 3.718 1.00 0.00 C ATOM 577 O VAL A 33 -3.362 -1.617 4.044 1.00 0.00 O ATOM 578 CB VAL A 33 -3.810 0.435 1.556 1.00 0.00 C ATOM 579 CG1 VAL A 33 -4.224 -0.971 1.096 1.00 0.00 C ATOM 580 CG2 VAL A 33 -4.801 1.433 0.945 1.00 0.00 C ATOM 0 H VAL A 33 -3.088 2.473 2.762 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.808 0.350 3.441 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.798 0.660 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.228 -1.011 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.516 -1.704 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.222 -1.197 1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.790 1.338 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.804 1.224 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.515 2.447 1.224 1.00 0.00 H new ATOM 590 N GLN A 34 -1.604 -0.214 3.916 1.00 0.00 N ATOM 591 CA GLN A 34 -0.636 -1.103 4.528 1.00 0.00 C ATOM 592 C GLN A 34 -1.003 -1.325 6.004 1.00 0.00 C ATOM 593 O GLN A 34 -1.027 -2.470 6.440 1.00 0.00 O ATOM 594 CB GLN A 34 0.782 -0.609 4.184 1.00 0.00 C ATOM 595 CG GLN A 34 1.912 -1.580 4.545 1.00 0.00 C ATOM 596 CD GLN A 34 2.208 -1.690 6.038 1.00 0.00 C ATOM 597 OE1 GLN A 34 1.671 -0.770 6.835 1.00 0.00 O flip ATOM 598 NE2 GLN A 34 2.905 -2.606 6.468 1.00 0.00 N flip ATOM 0 H GLN A 34 -1.211 0.688 3.647 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.654 -2.115 4.124 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.829 -0.402 3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.956 0.335 4.699 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.657 -2.569 4.166 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.820 -1.266 4.031 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.299 -3.292 5.825 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.089 -2.680 7.468 1.00 0.00 H new ATOM 607 N ILE A 35 -1.317 -0.269 6.771 1.00 0.00 N ATOM 608 CA ILE A 35 -1.728 -0.389 8.172 1.00 0.00 C ATOM 609 C ILE A 35 -2.859 -1.398 8.317 1.00 0.00 C ATOM 610 O ILE A 35 -2.750 -2.325 9.114 1.00 0.00 O ATOM 611 CB ILE A 35 -2.172 0.982 8.735 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.045 2.028 8.794 1.00 0.00 C ATOM 613 CG2 ILE A 35 -2.820 0.843 10.122 1.00 0.00 C ATOM 614 CD1 ILE A 35 0.061 1.709 9.803 1.00 0.00 C ATOM 0 H ILE A 35 -1.292 0.693 6.433 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.868 -0.739 8.743 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.911 1.349 8.022 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.600 2.122 7.803 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.478 2.997 9.042 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.119 1.827 10.484 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.698 0.201 10.051 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.104 0.403 10.816 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.814 2.497 9.779 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.367 1.646 10.804 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.525 0.757 9.546 1.00 0.00 H new ATOM 626 N HIS A 36 -3.940 -1.205 7.557 1.00 0.00 N ATOM 627 CA HIS A 36 -5.108 -2.065 7.648 1.00 0.00 C ATOM 628 C HIS A 36 -4.758 -3.472 7.169 1.00 0.00 C ATOM 629 O HIS A 36 -5.132 -4.446 7.817 1.00 0.00 O ATOM 630 CB HIS A 36 -6.293 -1.443 6.904 1.00 0.00 C ATOM 631 CG HIS A 36 -7.023 -0.422 7.745 1.00 0.00 C ATOM 632 ND1 HIS A 36 -8.375 -0.579 8.052 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.560 0.711 8.364 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.675 0.463 8.831 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.622 1.262 9.051 1.00 0.00 N ATOM 0 H HIS A 36 -4.024 -0.455 6.871 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.420 -2.157 8.688 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.937 -0.970 5.989 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.987 -2.230 6.607 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.553 1.099 8.322 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.659 0.642 9.239 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.608 2.111 9.616 1.00 0.00 H new ATOM 643 N ALA A 37 -4.009 -3.588 6.068 1.00 0.00 N ATOM 644 CA ALA A 37 -3.545 -4.874 5.571 1.00 0.00 C ATOM 645 C ALA A 37 -2.852 -5.687 6.658 1.00 0.00 C ATOM 646 O ALA A 37 -3.205 -6.837 6.899 1.00 0.00 O ATOM 647 CB ALA A 37 -2.581 -4.661 4.402 1.00 0.00 C ATOM 0 H ALA A 37 -3.712 -2.793 5.503 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.420 -5.433 5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.237 -5.627 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.093 -4.129 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.726 -4.075 4.738 1.00 0.00 H new ATOM 653 N ILE A 38 -1.872 -5.070 7.319 1.00 0.00 N ATOM 654 CA ILE A 38 -1.089 -5.677 8.379 1.00 0.00 C ATOM 655 C ILE A 38 -1.991 -6.011 9.566 1.00 0.00 C ATOM 656 O ILE A 38 -1.902 -7.116 10.099 1.00 0.00 O ATOM 657 CB ILE A 38 0.114 -4.764 8.696 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.340 -5.246 7.903 1.00 0.00 C ATOM 659 CG2 ILE A 38 0.465 -4.679 10.185 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.102 -5.271 6.387 1.00 0.00 C ATOM 0 H ILE A 38 -1.599 -4.107 7.121 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.665 -6.634 8.075 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.179 -3.757 8.399 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.186 -4.595 8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.613 -6.246 8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.321 -4.018 10.320 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.388 -4.286 10.738 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.712 -5.673 10.558 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.003 -5.620 5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.275 -5.944 6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.858 -4.267 6.040 1.00 0.00 H new ATOM 672 N ARG A 39 -2.889 -5.093 9.940 1.00 0.00 N ATOM 673 CA ARG A 39 -3.842 -5.295 11.019 1.00 0.00 C ATOM 674 C ARG A 39 -4.651 -6.578 10.804 1.00 0.00 C ATOM 675 O ARG A 39 -4.953 -7.297 11.754 1.00 0.00 O ATOM 676 CB ARG A 39 -4.738 -4.054 11.083 1.00 0.00 C ATOM 677 CG ARG A 39 -5.592 -4.030 12.344 1.00 0.00 C ATOM 678 CD ARG A 39 -6.271 -2.661 12.467 1.00 0.00 C ATOM 679 NE ARG A 39 -7.198 -2.608 13.606 1.00 0.00 N ATOM 680 CZ ARG A 39 -8.477 -3.021 13.586 1.00 0.00 C ATOM 681 NH1 ARG A 39 -8.990 -3.619 12.501 1.00 0.00 N ATOM 682 NH2 ARG A 39 -9.250 -2.829 14.663 1.00 0.00 N ATOM 0 H ARG A 39 -2.969 -4.180 9.492 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.325 -5.421 11.970 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.119 -3.158 11.048 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.385 -4.029 10.206 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.343 -4.819 12.304 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.973 -4.222 13.220 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.511 -1.888 12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.813 -2.441 11.547 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.842 -2.227 14.483 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.408 -3.766 11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.962 -3.927 12.500 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.867 -2.372 15.491 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.222 -3.140 14.655 1.00 0.00 H new ATOM 696 N LEU A 40 -4.986 -6.845 9.537 1.00 0.00 N ATOM 697 CA LEU A 40 -5.819 -7.952 9.091 1.00 0.00 C ATOM 698 C LEU A 40 -5.010 -9.165 8.600 1.00 0.00 C ATOM 699 O LEU A 40 -5.611 -10.173 8.229 1.00 0.00 O ATOM 700 CB LEU A 40 -6.739 -7.426 7.989 1.00 0.00 C ATOM 701 CG LEU A 40 -7.642 -6.289 8.496 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.238 -5.591 7.279 1.00 0.00 C ATOM 703 CD2 LEU A 40 -8.747 -6.805 9.426 1.00 0.00 C ATOM 0 H LEU A 40 -4.665 -6.264 8.763 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.394 -8.318 9.941 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.138 -7.068 7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.357 -8.241 7.611 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.049 -5.590 9.086 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.885 -4.777 7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.435 -5.189 6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.820 -6.306 6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.361 -5.969 9.760 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.370 -7.520 8.889 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.297 -7.293 10.290 1.00 0.00 H new ATOM 715 N GLY A 41 -3.672 -9.090 8.595 1.00 0.00 N ATOM 716 CA GLY A 41 -2.804 -10.174 8.154 1.00 0.00 C ATOM 717 C GLY A 41 -2.893 -10.398 6.643 1.00 0.00 C ATOM 718 O GLY A 41 -3.251 -11.489 6.200 1.00 0.00 O ATOM 0 H GLY A 41 -3.162 -8.262 8.902 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.773 -9.948 8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.077 -11.092 8.674 1.00 0.00 H new ATOM 722 N ILE A 42 -2.557 -9.365 5.862 1.00 0.00 N ATOM 723 CA ILE A 42 -2.596 -9.348 4.406 1.00 0.00 C ATOM 724 C ILE A 42 -1.217 -8.945 3.880 1.00 0.00 C ATOM 725 O ILE A 42 -0.580 -8.038 4.414 1.00 0.00 O ATOM 726 CB ILE A 42 -3.685 -8.368 3.932 1.00 0.00 C ATOM 727 CG1 ILE A 42 -5.098 -8.783 4.351 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.666 -8.101 2.429 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.594 -10.087 3.731 1.00 0.00 C ATOM 0 H ILE A 42 -2.236 -8.479 6.252 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.842 -10.337 4.019 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.428 -7.440 4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.126 -8.880 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.790 -7.984 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.462 -7.402 2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.704 -7.674 2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.819 -9.037 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.603 -10.298 4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.604 -9.993 2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.930 -10.902 4.018 1.00 0.00 H new ATOM 741 N LYS A 43 -0.774 -9.627 2.819 1.00 0.00 N ATOM 742 CA LYS A 43 0.480 -9.360 2.117 1.00 0.00 C ATOM 743 C LYS A 43 0.196 -8.388 0.965 1.00 0.00 C ATOM 744 O LYS A 43 -0.953 -8.002 0.788 1.00 0.00 O ATOM 745 CB LYS A 43 1.051 -10.676 1.575 1.00 0.00 C ATOM 746 CG LYS A 43 1.116 -11.803 2.611 1.00 0.00 C ATOM 747 CD LYS A 43 1.670 -13.068 1.942 1.00 0.00 C ATOM 748 CE LYS A 43 1.760 -14.251 2.913 1.00 0.00 C ATOM 749 NZ LYS A 43 0.437 -14.671 3.340 1.00 0.00 N ATOM 0 H LYS A 43 -1.297 -10.404 2.414 1.00 0.00 H new ATOM 0 HA LYS A 43 1.209 -8.917 2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.441 -11.005 0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.054 -10.493 1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.752 -11.510 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.124 -11.997 3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.032 -13.340 1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.660 -12.858 1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.273 -15.084 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.355 -13.969 3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.506 -15.579 3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.033 -13.954 3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.177 -14.782 2.508 1.00 0.00 H new ATOM 762 N GLY A 44 1.189 -8.003 0.152 1.00 0.00 N ATOM 763 CA GLY A 44 0.917 -7.236 -1.059 1.00 0.00 C ATOM 764 C GLY A 44 2.044 -6.274 -1.399 1.00 0.00 C ATOM 765 O GLY A 44 3.212 -6.598 -1.199 1.00 0.00 O ATOM 0 H GLY A 44 2.175 -8.210 0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.763 -7.921 -1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.009 -6.676 -0.931 1.00 0.00 H new ATOM 769 N TYR A 45 1.687 -5.093 -1.927 1.00 0.00 N ATOM 770 CA TYR A 45 2.628 -4.023 -2.234 1.00 0.00 C ATOM 771 C TYR A 45 1.878 -2.776 -2.714 1.00 0.00 C ATOM 772 O TYR A 45 0.847 -2.902 -3.374 1.00 0.00 O ATOM 773 CB TYR A 45 3.630 -4.452 -3.316 1.00 0.00 C ATOM 774 CG TYR A 45 4.989 -3.798 -3.222 1.00 0.00 C ATOM 775 CD1 TYR A 45 5.184 -2.497 -3.717 1.00 0.00 C ATOM 776 CD2 TYR A 45 6.057 -4.477 -2.608 1.00 0.00 C ATOM 777 CE1 TYR A 45 6.403 -1.835 -3.504 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.302 -3.844 -2.470 1.00 0.00 C ATOM 779 CZ TYR A 45 7.461 -2.507 -2.865 1.00 0.00 C ATOM 780 OH TYR A 45 8.647 -1.883 -2.622 1.00 0.00 O ATOM 0 H TYR A 45 0.720 -4.859 -2.153 1.00 0.00 H new ATOM 0 HA TYR A 45 3.175 -3.797 -1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.759 -5.533 -3.263 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.203 -4.230 -4.294 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.393 -2.005 -4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.919 -5.484 -2.243 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.528 -0.813 -3.830 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.140 -4.387 -2.059 1.00 0.00 H new ATOM 0 HH TYR A 45 8.793 -1.185 -3.294 1.00 0.00 H new ATOM 790 N ALA A 46 2.411 -1.587 -2.404 1.00 0.00 N ATOM 791 CA ALA A 46 1.856 -0.302 -2.827 1.00 0.00 C ATOM 792 C ALA A 46 2.835 0.382 -3.775 1.00 0.00 C ATOM 793 O ALA A 46 3.630 1.222 -3.360 1.00 0.00 O ATOM 794 CB ALA A 46 1.566 0.577 -1.608 1.00 0.00 C ATOM 0 H ALA A 46 3.256 -1.493 -1.841 1.00 0.00 H new ATOM 0 HA ALA A 46 0.915 -0.465 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.153 1.531 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.848 0.075 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.490 0.752 -1.058 1.00 0.00 H new ATOM 800 N LYS A 47 2.791 -0.003 -5.050 1.00 0.00 N ATOM 801 CA LYS A 47 3.771 0.375 -6.057 1.00 0.00 C ATOM 802 C LYS A 47 3.382 1.741 -6.630 1.00 0.00 C ATOM 803 O LYS A 47 2.766 1.867 -7.688 1.00 0.00 O ATOM 804 CB LYS A 47 3.859 -0.772 -7.068 1.00 0.00 C ATOM 805 CG LYS A 47 4.661 -0.488 -8.341 1.00 0.00 C ATOM 806 CD LYS A 47 5.123 -1.774 -9.038 1.00 0.00 C ATOM 807 CE LYS A 47 3.948 -2.640 -9.512 1.00 0.00 C ATOM 808 NZ LYS A 47 4.449 -3.802 -10.221 1.00 0.00 N ATOM 0 H LYS A 47 2.051 -0.602 -5.417 1.00 0.00 H new ATOM 0 HA LYS A 47 4.778 0.510 -5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.300 -1.635 -6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.846 -1.054 -7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.050 0.096 -9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.531 0.120 -8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.748 -1.516 -9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.743 -2.352 -8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.348 -2.954 -8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.295 -2.059 -10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.649 -4.385 -10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.003 -3.494 -11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.054 -4.361 -9.587 1.00 0.00 H new ATOM 821 N ASN A 48 3.741 2.762 -5.851 1.00 0.00 N ATOM 822 CA ASN A 48 3.484 4.179 -6.038 1.00 0.00 C ATOM 823 C ASN A 48 4.561 4.794 -6.941 1.00 0.00 C ATOM 824 O ASN A 48 5.469 5.466 -6.457 1.00 0.00 O ATOM 825 CB ASN A 48 3.465 4.788 -4.626 1.00 0.00 C ATOM 826 CG ASN A 48 2.953 6.221 -4.572 1.00 0.00 C ATOM 827 OD1 ASN A 48 3.661 7.154 -4.940 1.00 0.00 O ATOM 828 ND2 ASN A 48 1.726 6.403 -4.082 1.00 0.00 N ATOM 0 H ASN A 48 4.268 2.595 -4.994 1.00 0.00 H new ATOM 0 HA ASN A 48 2.536 4.375 -6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.842 4.167 -3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.475 4.759 -4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.343 7.345 -4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.170 5.600 -3.787 1.00 0.00 H new ATOM 835 N LEU A 49 4.482 4.537 -8.256 1.00 0.00 N ATOM 836 CA LEU A 49 5.509 4.932 -9.207 1.00 0.00 C ATOM 837 C LEU A 49 5.436 6.419 -9.589 1.00 0.00 C ATOM 838 O LEU A 49 6.414 7.130 -9.365 1.00 0.00 O ATOM 839 CB LEU A 49 5.564 4.012 -10.443 1.00 0.00 C ATOM 840 CG LEU A 49 4.933 2.614 -10.323 1.00 0.00 C ATOM 841 CD1 LEU A 49 3.448 2.612 -10.727 1.00 0.00 C ATOM 842 CD2 LEU A 49 5.671 1.648 -11.259 1.00 0.00 C ATOM 0 H LEU A 49 3.696 4.046 -8.682 1.00 0.00 H new ATOM 0 HA LEU A 49 6.456 4.801 -8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.076 4.530 -11.269 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.611 3.885 -10.720 1.00 0.00 H new ATOM 0 HG LEU A 49 5.014 2.309 -9.280 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.045 1.604 -10.626 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.894 3.291 -10.079 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.352 2.939 -11.762 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.229 0.655 -11.179 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.586 2.001 -12.287 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.723 1.601 -10.977 1.00 0.00 H new ATOM 854 N PRO A 50 4.336 6.912 -10.195 1.00 0.00 N ATOM 855 CA PRO A 50 4.274 8.257 -10.756 1.00 0.00 C ATOM 856 C PRO A 50 3.872 9.269 -9.681 1.00 0.00 C ATOM 857 O PRO A 50 3.848 8.943 -8.496 1.00 0.00 O ATOM 858 CB PRO A 50 3.209 8.148 -11.850 1.00 0.00 C ATOM 859 CG PRO A 50 2.190 7.229 -11.186 1.00 0.00 C ATOM 860 CD PRO A 50 3.084 6.218 -10.465 1.00 0.00 C ATOM 0 HA PRO A 50 5.231 8.604 -11.145 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.782 9.118 -12.106 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.608 7.722 -12.771 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.546 7.770 -10.492 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.539 6.748 -11.916 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.620 5.876 -9.540 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.252 5.335 -11.082 1.00 0.00 H new ATOM 868 N ASP A 51 3.526 10.489 -10.111 1.00 0.00 N ATOM 869 CA ASP A 51 3.036 11.565 -9.262 1.00 0.00 C ATOM 870 C ASP A 51 1.505 11.651 -9.359 1.00 0.00 C ATOM 871 O ASP A 51 0.963 12.727 -9.601 1.00 0.00 O ATOM 872 CB ASP A 51 3.703 12.884 -9.680 1.00 0.00 C ATOM 873 CG ASP A 51 5.225 12.796 -9.631 1.00 0.00 C ATOM 874 OD1 ASP A 51 5.814 13.067 -8.588 1.00 0.00 O ATOM 875 OD2 ASP A 51 5.836 12.412 -10.788 1.00 0.00 O ATOM 0 H ASP A 51 3.584 10.756 -11.094 1.00 0.00 H new ATOM 0 HA ASP A 51 3.292 11.366 -8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.387 13.146 -10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.365 13.685 -9.023 1.00 0.00 H new ATOM 881 N GLY A 52 0.801 10.524 -9.180 1.00 0.00 N ATOM 882 CA GLY A 52 -0.653 10.508 -9.246 1.00 0.00 C ATOM 883 C GLY A 52 -1.233 9.117 -8.994 1.00 0.00 C ATOM 884 O GLY A 52 -1.833 8.874 -7.949 1.00 0.00 O ATOM 0 H GLY A 52 1.223 9.615 -8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.055 11.205 -8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.973 10.860 -10.227 1.00 0.00 H new ATOM 888 N SER A 53 -1.101 8.223 -9.979 1.00 0.00 N ATOM 889 CA SER A 53 -1.801 6.945 -10.009 1.00 0.00 C ATOM 890 C SER A 53 -0.914 5.824 -9.464 1.00 0.00 C ATOM 891 O SER A 53 0.072 5.454 -10.097 1.00 0.00 O ATOM 892 CB SER A 53 -2.253 6.657 -11.443 1.00 0.00 C ATOM 893 OG SER A 53 -2.969 7.758 -11.962 1.00 0.00 O ATOM 0 H SER A 53 -0.496 8.373 -10.786 1.00 0.00 H new ATOM 0 HA SER A 53 -2.680 6.996 -9.366 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.386 6.450 -12.070 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.880 5.765 -11.462 1.00 0.00 H new ATOM 0 HG SER A 53 -3.905 7.503 -12.101 1.00 0.00 H new ATOM 899 N VAL A 54 -1.277 5.268 -8.303 1.00 0.00 N ATOM 900 CA VAL A 54 -0.539 4.213 -7.614 1.00 0.00 C ATOM 901 C VAL A 54 -1.233 2.869 -7.819 1.00 0.00 C ATOM 902 O VAL A 54 -2.444 2.756 -7.643 1.00 0.00 O ATOM 903 CB VAL A 54 -0.363 4.551 -6.122 1.00 0.00 C ATOM 904 CG1 VAL A 54 -1.624 5.117 -5.462 1.00 0.00 C ATOM 905 CG2 VAL A 54 0.101 3.338 -5.303 1.00 0.00 C ATOM 0 H VAL A 54 -2.120 5.552 -7.804 1.00 0.00 H new ATOM 0 HA VAL A 54 0.461 4.140 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 54 0.405 5.325 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.421 5.330 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.919 6.036 -5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.431 4.388 -5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.211 3.626 -4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.637 2.540 -5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.059 2.986 -5.685 1.00 0.00 H new ATOM 915 N GLU A 55 -0.448 1.848 -8.183 1.00 0.00 N ATOM 916 CA GLU A 55 -0.922 0.484 -8.329 1.00 0.00 C ATOM 917 C GLU A 55 -0.713 -0.246 -7.004 1.00 0.00 C ATOM 918 O GLU A 55 0.412 -0.311 -6.513 1.00 0.00 O ATOM 919 CB GLU A 55 -0.168 -0.184 -9.489 1.00 0.00 C ATOM 920 CG GLU A 55 -0.780 -1.535 -9.887 1.00 0.00 C ATOM 921 CD GLU A 55 -0.217 -2.756 -9.158 1.00 0.00 C ATOM 922 OE1 GLU A 55 0.653 -2.629 -8.299 1.00 0.00 O ATOM 923 OE2 GLU A 55 -0.736 -3.953 -9.552 1.00 0.00 O ATOM 0 H GLU A 55 0.546 1.957 -8.385 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.985 0.454 -8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.172 0.482 -10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.874 -0.330 -9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.855 -1.493 -9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.638 -1.676 -10.958 1.00 0.00 H new ATOM 931 N VAL A 56 -1.794 -0.774 -6.423 1.00 0.00 N ATOM 932 CA VAL A 56 -1.779 -1.499 -5.162 1.00 0.00 C ATOM 933 C VAL A 56 -2.228 -2.937 -5.404 1.00 0.00 C ATOM 934 O VAL A 56 -3.107 -3.182 -6.229 1.00 0.00 O ATOM 935 CB VAL A 56 -2.697 -0.810 -4.139 1.00 0.00 C ATOM 936 CG1 VAL A 56 -2.607 -1.477 -2.760 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.337 0.671 -3.980 1.00 0.00 C ATOM 0 H VAL A 56 -2.726 -0.704 -6.833 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.767 -1.504 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.713 -0.905 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.269 -0.963 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.906 -2.522 -2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.582 -1.420 -2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.003 1.131 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.306 0.760 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.445 1.177 -4.940 1.00 0.00 H new ATOM 947 N VAL A 57 -1.644 -3.874 -4.651 1.00 0.00 N ATOM 948 CA VAL A 57 -2.102 -5.250 -4.538 1.00 0.00 C ATOM 949 C VAL A 57 -2.189 -5.595 -3.049 1.00 0.00 C ATOM 950 O VAL A 57 -1.423 -5.054 -2.252 1.00 0.00 O ATOM 951 CB VAL A 57 -1.173 -6.203 -5.315 1.00 0.00 C ATOM 952 CG1 VAL A 57 -1.246 -5.934 -6.822 1.00 0.00 C ATOM 953 CG2 VAL A 57 0.290 -6.099 -4.866 1.00 0.00 C ATOM 0 H VAL A 57 -0.815 -3.684 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.089 -5.367 -4.986 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.528 -7.210 -5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.581 -6.620 -7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.268 -6.083 -7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.940 -4.907 -7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.899 -6.792 -5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.648 -5.082 -5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.364 -6.349 -3.808 1.00 0.00 H new ATOM 963 N ALA A 58 -3.141 -6.463 -2.676 1.00 0.00 N ATOM 964 CA ALA A 58 -3.384 -6.866 -1.296 1.00 0.00 C ATOM 965 C ALA A 58 -3.859 -8.318 -1.268 1.00 0.00 C ATOM 966 O ALA A 58 -4.906 -8.637 -1.826 1.00 0.00 O ATOM 967 CB ALA A 58 -4.407 -5.940 -0.639 1.00 0.00 C ATOM 0 H ALA A 58 -3.771 -6.909 -3.342 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.457 -6.789 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.576 -6.256 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.030 -4.917 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.346 -5.985 -1.191 1.00 0.00 H new ATOM 973 N GLU A 59 -3.061 -9.200 -0.662 1.00 0.00 N ATOM 974 CA GLU A 59 -3.123 -10.636 -0.868 1.00 0.00 C ATOM 975 C GLU A 59 -3.596 -11.344 0.392 1.00 0.00 C ATOM 976 O GLU A 59 -2.858 -11.400 1.376 1.00 0.00 O ATOM 977 CB GLU A 59 -1.746 -11.177 -1.296 1.00 0.00 C ATOM 978 CG GLU A 59 -1.690 -11.395 -2.812 1.00 0.00 C ATOM 979 CD GLU A 59 -0.388 -12.035 -3.280 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.509 -12.272 -2.474 1.00 0.00 O ATOM 981 OE2 GLU A 59 -0.324 -12.315 -4.611 1.00 0.00 O ATOM 0 H GLU A 59 -2.338 -8.921 0.001 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.842 -10.834 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.967 -10.476 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.544 -12.117 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.526 -12.026 -3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.817 -10.437 -3.315 1.00 0.00 H new ATOM 989 N GLY A 60 -4.795 -11.931 0.344 1.00 0.00 N ATOM 990 CA GLY A 60 -5.205 -12.847 1.387 1.00 0.00 C ATOM 991 C GLY A 60 -6.529 -13.523 1.080 1.00 0.00 C ATOM 992 O GLY A 60 -7.050 -13.461 -0.034 1.00 0.00 O ATOM 0 H GLY A 60 -5.481 -11.786 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.435 -13.607 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.287 -12.306 2.330 1.00 0.00 H new ATOM 996 N TYR A 61 -7.046 -14.189 2.114 1.00 0.00 N ATOM 997 CA TYR A 61 -8.325 -14.862 2.128 1.00 0.00 C ATOM 998 C TYR A 61 -9.441 -13.823 2.017 1.00 0.00 C ATOM 999 O TYR A 61 -9.225 -12.642 2.282 1.00 0.00 O ATOM 1000 CB TYR A 61 -8.422 -15.645 3.438 1.00 0.00 C ATOM 1001 CG TYR A 61 -7.453 -16.801 3.597 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -6.185 -16.578 4.170 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -7.870 -18.119 3.327 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -5.342 -17.661 4.468 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -7.031 -19.203 3.643 1.00 0.00 C ATOM 1006 CZ TYR A 61 -5.761 -18.974 4.199 1.00 0.00 C ATOM 1007 OH TYR A 61 -4.933 -20.022 4.477 1.00 0.00 O ATOM 0 H TYR A 61 -6.552 -14.272 3.003 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.424 -15.549 1.288 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.267 -14.951 4.265 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.437 -16.032 3.532 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.860 -15.570 4.381 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.835 -18.298 2.877 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.370 -17.484 4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.364 -20.214 3.458 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.375 -20.862 4.232 1.00 0.00 H new ATOM 1017 N GLU A 62 -10.639 -14.265 1.623 1.00 0.00 N ATOM 1018 CA GLU A 62 -11.749 -13.360 1.356 1.00 0.00 C ATOM 1019 C GLU A 62 -12.430 -12.861 2.633 1.00 0.00 C ATOM 1020 O GLU A 62 -13.094 -11.825 2.603 1.00 0.00 O ATOM 1021 CB GLU A 62 -12.768 -13.997 0.420 1.00 0.00 C ATOM 1022 CG GLU A 62 -12.136 -14.461 -0.899 1.00 0.00 C ATOM 1023 CD GLU A 62 -13.182 -15.035 -1.850 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -13.134 -16.225 -2.153 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -14.120 -14.159 -2.307 1.00 0.00 O ATOM 0 H GLU A 62 -10.861 -15.251 1.483 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.319 -12.488 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.232 -14.849 0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.561 -13.280 0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.631 -13.621 -1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.376 -15.215 -0.694 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.250 -13.569 3.753 1.00 0.00 N ATOM 1034 CA GLU A 63 -12.765 -13.150 5.040 1.00 0.00 C ATOM 1035 C GLU A 63 -12.072 -11.856 5.469 1.00 0.00 C ATOM 1036 O GLU A 63 -12.745 -10.896 5.833 1.00 0.00 O ATOM 1037 CB GLU A 63 -12.577 -14.284 6.054 1.00 0.00 C ATOM 1038 CG GLU A 63 -13.370 -15.529 5.639 1.00 0.00 C ATOM 1039 CD GLU A 63 -13.273 -16.624 6.696 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -12.516 -17.575 6.513 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -14.061 -16.461 7.796 1.00 0.00 O ATOM 0 H GLU A 63 -11.739 -14.451 3.781 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.833 -12.940 4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.519 -14.533 6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.903 -13.953 7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.415 -15.262 5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.992 -15.904 4.688 1.00 0.00 H new ATOM 1049 N ALA A 64 -10.738 -11.808 5.369 1.00 0.00 N ATOM 1050 CA ALA A 64 -9.950 -10.616 5.652 1.00 0.00 C ATOM 1051 C ALA A 64 -9.873 -9.675 4.447 1.00 0.00 C ATOM 1052 O ALA A 64 -9.404 -8.547 4.605 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.554 -11.048 6.109 1.00 0.00 C ATOM 0 H ALA A 64 -10.174 -12.609 5.085 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.439 -10.051 6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.952 -10.165 6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.638 -11.658 7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.076 -11.629 5.320 1.00 0.00 H new ATOM 1059 N LEU A 65 -10.350 -10.092 3.261 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.413 -9.188 2.125 1.00 0.00 C ATOM 1061 C LEU A 65 -11.434 -8.098 2.419 1.00 0.00 C ATOM 1062 O LEU A 65 -11.068 -6.931 2.462 1.00 0.00 O ATOM 1063 CB LEU A 65 -10.754 -9.932 0.841 1.00 0.00 C ATOM 1064 CG LEU A 65 -10.691 -8.994 -0.359 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -9.252 -8.830 -0.873 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -11.612 -9.549 -1.435 1.00 0.00 C ATOM 0 H LEU A 65 -10.690 -11.036 3.076 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.434 -8.734 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.059 -10.759 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.752 -10.364 0.919 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.022 -7.997 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.246 -8.155 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.627 -8.417 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.861 -9.801 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.587 -8.896 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.280 -10.547 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.631 -9.601 -1.050 1.00 0.00 H new ATOM 1078 N SER A 66 -12.699 -8.486 2.614 1.00 0.00 N ATOM 1079 CA SER A 66 -13.816 -7.601 2.925 1.00 0.00 C ATOM 1080 C SER A 66 -13.445 -6.495 3.919 1.00 0.00 C ATOM 1081 O SER A 66 -13.789 -5.337 3.698 1.00 0.00 O ATOM 1082 CB SER A 66 -14.997 -8.433 3.439 1.00 0.00 C ATOM 1083 OG SER A 66 -14.660 -9.125 4.625 1.00 0.00 O ATOM 0 H SER A 66 -12.979 -9.465 2.556 1.00 0.00 H new ATOM 0 HA SER A 66 -14.100 -7.090 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.850 -7.781 3.626 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.303 -9.146 2.674 1.00 0.00 H new ATOM 0 HG SER A 66 -13.889 -9.707 4.457 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.720 -6.845 4.985 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.239 -5.917 6.000 1.00 0.00 C ATOM 1091 C LYS A 67 -11.240 -4.900 5.419 1.00 0.00 C ATOM 1092 O LYS A 67 -11.351 -3.706 5.693 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.633 -6.720 7.162 1.00 0.00 C ATOM 1094 CG LYS A 67 -12.667 -7.137 8.217 1.00 0.00 C ATOM 1095 CD LYS A 67 -13.759 -8.054 7.661 1.00 0.00 C ATOM 1096 CE LYS A 67 -14.592 -8.654 8.797 1.00 0.00 C ATOM 1097 NZ LYS A 67 -15.622 -9.518 8.251 1.00 0.00 N ATOM 0 H LYS A 67 -12.446 -7.811 5.167 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.078 -5.330 6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.150 -7.613 6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.856 -6.123 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.157 -7.645 9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.130 -6.243 8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.405 -7.491 6.987 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.306 -8.853 7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.949 -9.221 9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.047 -7.858 9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.184 -9.922 9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.243 -8.966 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.179 -10.286 7.708 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.276 -5.360 4.612 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.275 -4.533 3.943 1.00 0.00 C ATOM 1112 C LEU A 68 -9.887 -3.735 2.782 1.00 0.00 C ATOM 1113 O LEU A 68 -9.357 -2.695 2.397 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.138 -5.469 3.495 1.00 0.00 C ATOM 1115 CG LEU A 68 -6.862 -4.849 2.897 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -6.915 -4.698 1.375 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.429 -3.529 3.542 1.00 0.00 C ATOM 0 H LEU A 68 -10.171 -6.353 4.402 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.877 -3.778 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.842 -6.066 4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.548 -6.157 2.756 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.096 -5.585 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.984 -4.255 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.048 -5.678 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.750 -4.053 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.522 -3.167 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.222 -2.790 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.234 -3.689 4.602 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.011 -4.195 2.225 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.683 -3.581 1.106 1.00 0.00 C ATOM 1131 C LEU A 69 -12.559 -2.426 1.599 1.00 0.00 C ATOM 1132 O LEU A 69 -12.388 -1.287 1.164 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.480 -4.692 0.409 1.00 0.00 C ATOM 1134 CG LEU A 69 -12.725 -4.513 -1.086 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -13.499 -3.237 -1.408 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -11.430 -4.562 -1.905 1.00 0.00 C ATOM 0 H LEU A 69 -11.484 -5.034 2.561 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.988 -3.142 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.955 -5.635 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.446 -4.783 0.905 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.342 -5.363 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.644 -3.162 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.469 -3.265 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.937 -2.372 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.663 -4.429 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.762 -3.765 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.943 -5.526 -1.759 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.481 -2.721 2.525 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.446 -1.771 3.063 1.00 0.00 C ATOM 1150 C GLU A 70 -13.747 -0.574 3.715 1.00 0.00 C ATOM 1151 O GLU A 70 -14.217 0.549 3.564 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.432 -2.491 3.998 1.00 0.00 C ATOM 1153 CG GLU A 70 -14.863 -2.866 5.377 1.00 0.00 C ATOM 1154 CD GLU A 70 -14.794 -1.699 6.365 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -15.637 -0.807 6.320 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -13.753 -1.730 7.245 1.00 0.00 O ATOM 0 H GLU A 70 -13.573 -3.654 2.927 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.034 -1.354 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.304 -1.853 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.779 -3.399 3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.477 -3.657 5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.862 -3.276 5.245 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.610 -0.826 4.388 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.634 0.152 4.867 1.00 0.00 C ATOM 1166 C ARG A 71 -11.601 1.402 3.996 1.00 0.00 C ATOM 1167 O ARG A 71 -11.705 2.510 4.516 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.262 -0.543 4.934 1.00 0.00 C ATOM 1169 CG ARG A 71 -9.014 0.304 4.640 1.00 0.00 C ATOM 1170 CD ARG A 71 -8.877 1.582 5.482 1.00 0.00 C ATOM 1171 NE ARG A 71 -8.941 2.809 4.668 1.00 0.00 N ATOM 1172 CZ ARG A 71 -8.095 3.173 3.688 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -7.031 2.430 3.369 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -8.336 4.296 2.996 1.00 0.00 N ATOM 0 H ARG A 71 -12.337 -1.780 4.623 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.919 0.500 5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.151 -0.968 5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.274 -1.376 4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.130 -0.313 4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.023 0.582 3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.669 1.606 6.230 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.930 1.557 6.021 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.708 3.450 4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.844 1.563 3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.405 2.730 2.621 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.154 4.864 3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.701 4.582 2.251 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.430 1.225 2.683 1.00 0.00 N ATOM 1189 CA ILE A 72 -11.126 2.329 1.791 1.00 0.00 C ATOM 1190 C ILE A 72 -12.354 3.224 1.632 1.00 0.00 C ATOM 1191 O ILE A 72 -12.351 4.342 2.136 1.00 0.00 O ATOM 1192 CB ILE A 72 -10.498 1.846 0.474 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -9.317 0.885 0.724 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -9.966 3.065 -0.297 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -9.064 0.003 -0.500 1.00 0.00 C ATOM 0 H ILE A 72 -11.499 0.319 2.219 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.352 2.955 2.235 1.00 0.00 H new ATOM 0 HB ILE A 72 -11.266 1.317 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.419 1.458 0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.529 0.259 1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.518 2.735 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.788 3.749 -0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.215 3.576 0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.227 -0.666 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.956 -0.586 -0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.829 0.631 -1.359 1.00 0.00 H new ATOM 1207 N LYS A 73 -13.407 2.749 0.964 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.641 3.506 0.784 1.00 0.00 C ATOM 1209 C LYS A 73 -15.216 4.057 2.093 1.00 0.00 C ATOM 1210 O LYS A 73 -15.632 5.213 2.137 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.659 2.637 0.043 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.870 1.244 0.660 1.00 0.00 C ATOM 1213 CD LYS A 73 -16.289 0.239 -0.414 1.00 0.00 C ATOM 1214 CE LYS A 73 -15.111 -0.180 -1.309 1.00 0.00 C ATOM 1215 NZ LYS A 73 -15.597 -1.061 -2.355 1.00 0.00 N ATOM 0 H LYS A 73 -13.425 1.825 0.532 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.405 4.387 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.615 3.159 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.334 2.518 -0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.950 0.910 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.634 1.296 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.713 -0.645 0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.074 0.676 -1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.641 0.700 -1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.350 -0.686 -0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.804 -1.348 -2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.027 -1.905 -1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.309 -0.562 -2.926 1.00 0.00 H new ATOM 1228 N GLN A 74 -15.236 3.236 3.150 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.737 3.621 4.465 1.00 0.00 C ATOM 1230 C GLN A 74 -14.890 4.760 5.043 1.00 0.00 C ATOM 1231 O GLN A 74 -15.426 5.815 5.378 1.00 0.00 O ATOM 1232 CB GLN A 74 -15.769 2.388 5.383 1.00 0.00 C ATOM 1233 CG GLN A 74 -16.479 2.622 6.722 1.00 0.00 C ATOM 1234 CD GLN A 74 -15.643 3.439 7.706 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -14.546 3.032 8.082 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -16.156 4.596 8.127 1.00 0.00 N ATOM 0 H GLN A 74 -14.899 2.274 3.110 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.757 3.997 4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -16.265 1.571 4.859 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.746 2.067 5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -17.423 3.136 6.541 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.721 1.659 7.172 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.070 4.900 7.792 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -15.634 5.176 8.784 1.00 0.00 H new ATOM 1245 N GLY A 75 -13.577 4.535 5.161 1.00 0.00 N ATOM 1246 CA GLY A 75 -12.603 5.473 5.698 1.00 0.00 C ATOM 1247 C GLY A 75 -11.613 5.869 4.601 1.00 0.00 C ATOM 1248 O GLY A 75 -10.529 5.290 4.537 1.00 0.00 O ATOM 0 H GLY A 75 -13.153 3.654 4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.109 6.359 6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.072 5.021 6.536 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.962 6.827 3.724 1.00 0.00 N ATOM 1253 CA PRO A 76 -11.151 7.199 2.570 1.00 0.00 C ATOM 1254 C PRO A 76 -9.885 7.942 3.000 1.00 0.00 C ATOM 1255 O PRO A 76 -9.824 8.460 4.115 1.00 0.00 O ATOM 1256 CB PRO A 76 -12.063 8.077 1.707 1.00 0.00 C ATOM 1257 CG PRO A 76 -13.002 8.712 2.727 1.00 0.00 C ATOM 1258 CD PRO A 76 -13.202 7.586 3.738 1.00 0.00 C ATOM 0 HA PRO A 76 -10.800 6.327 2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.496 8.829 1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.608 7.488 0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.563 9.597 3.187 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.943 9.022 2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.408 7.983 4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.050 6.958 3.464 1.00 0.00 H new ATOM 1266 N PRO A 77 -8.865 8.007 2.128 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.655 8.765 2.394 1.00 0.00 C ATOM 1268 C PRO A 77 -7.977 10.259 2.395 1.00 0.00 C ATOM 1269 O PRO A 77 -8.953 10.686 1.780 1.00 0.00 O ATOM 1270 CB PRO A 77 -6.696 8.403 1.258 1.00 0.00 C ATOM 1271 CG PRO A 77 -7.643 8.122 0.091 1.00 0.00 C ATOM 1272 CD PRO A 77 -8.844 7.468 0.774 1.00 0.00 C ATOM 0 HA PRO A 77 -7.217 8.535 3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.009 9.219 1.034 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.088 7.532 1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.924 9.037 -0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.189 7.461 -0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.769 7.699 0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.746 6.383 0.785 1.00 0.00 H new ATOM 1280 N ALA A 78 -7.133 11.058 3.057 1.00 0.00 N ATOM 1281 CA ALA A 78 -7.296 12.505 3.133 1.00 0.00 C ATOM 1282 C ALA A 78 -6.796 13.195 1.856 1.00 0.00 C ATOM 1283 O ALA A 78 -6.221 14.279 1.926 1.00 0.00 O ATOM 1284 CB ALA A 78 -6.561 13.019 4.376 1.00 0.00 C ATOM 0 H ALA A 78 -6.314 10.712 3.557 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.356 12.745 3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.675 14.101 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.982 12.552 5.267 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.502 12.770 4.302 1.00 0.00 H new ATOM 1290 N ALA A 79 -7.011 12.570 0.690 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.561 13.026 -0.608 1.00 0.00 C ATOM 1292 C ALA A 79 -7.725 12.973 -1.592 1.00 0.00 C ATOM 1293 O ALA A 79 -8.741 12.326 -1.330 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.469 12.077 -1.071 1.00 0.00 C ATOM 0 H ALA A 79 -7.529 11.693 0.637 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.188 14.049 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.105 12.391 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.647 12.092 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.871 11.066 -1.141 1.00 0.00 H new ATOM 1300 N GLU A 80 -7.556 13.619 -2.749 1.00 0.00 N ATOM 1301 CA GLU A 80 -8.542 13.607 -3.817 1.00 0.00 C ATOM 1302 C GLU A 80 -8.423 12.314 -4.623 1.00 0.00 C ATOM 1303 O GLU A 80 -7.969 12.332 -5.764 1.00 0.00 O ATOM 1304 CB GLU A 80 -8.378 14.851 -4.704 1.00 0.00 C ATOM 1305 CG GLU A 80 -8.594 16.147 -3.917 1.00 0.00 C ATOM 1306 CD GLU A 80 -8.489 17.365 -4.828 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -9.489 18.044 -5.053 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -7.253 17.619 -5.344 1.00 0.00 O ATOM 0 H GLU A 80 -6.723 14.167 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.543 13.640 -3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.380 14.855 -5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.089 14.805 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.574 16.128 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.854 16.220 -3.120 1.00 0.00 H new ATOM 1316 N VAL A 81 -8.866 11.203 -4.022 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.063 9.928 -4.698 1.00 0.00 C ATOM 1318 C VAL A 81 -10.114 10.117 -5.792 1.00 0.00 C ATOM 1319 O VAL A 81 -11.256 10.480 -5.520 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.383 8.826 -3.671 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -10.678 9.037 -2.877 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.407 7.448 -4.345 1.00 0.00 C ATOM 0 H VAL A 81 -9.101 11.171 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.154 9.589 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.575 8.882 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.817 8.210 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.616 9.973 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.523 9.078 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.635 6.684 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.170 7.437 -5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.433 7.243 -4.789 1.00 0.00 H new ATOM 1332 N GLU A 82 -9.668 9.960 -7.040 1.00 0.00 N ATOM 1333 CA GLU A 82 -10.359 10.445 -8.219 1.00 0.00 C ATOM 1334 C GLU A 82 -11.269 9.365 -8.798 1.00 0.00 C ATOM 1335 O GLU A 82 -12.433 9.644 -9.082 1.00 0.00 O ATOM 1336 CB GLU A 82 -9.300 10.931 -9.221 1.00 0.00 C ATOM 1337 CG GLU A 82 -9.898 11.567 -10.483 1.00 0.00 C ATOM 1338 CD GLU A 82 -10.684 12.835 -10.166 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -10.082 13.893 -10.004 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -12.038 12.695 -10.081 1.00 0.00 O ATOM 0 H GLU A 82 -8.795 9.479 -7.256 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.014 11.280 -7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.653 11.657 -8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.672 10.089 -9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.098 11.802 -11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.553 10.848 -10.976 1.00 0.00 H new ATOM 1348 N LYS A 83 -10.747 8.146 -8.984 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.507 7.058 -9.596 1.00 0.00 C ATOM 1350 C LYS A 83 -10.878 5.695 -9.313 1.00 0.00 C ATOM 1351 O LYS A 83 -10.344 5.038 -10.203 1.00 0.00 O ATOM 1352 CB LYS A 83 -11.733 7.305 -11.094 1.00 0.00 C ATOM 1353 CG LYS A 83 -10.447 7.620 -11.876 1.00 0.00 C ATOM 1354 CD LYS A 83 -10.692 7.705 -13.388 1.00 0.00 C ATOM 1355 CE LYS A 83 -11.596 8.880 -13.777 1.00 0.00 C ATOM 1356 NZ LYS A 83 -11.703 8.957 -15.221 1.00 0.00 N ATOM 0 H LYS A 83 -9.796 7.892 -8.717 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.492 7.042 -9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.205 6.424 -11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.431 8.133 -11.214 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.032 8.564 -11.524 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.703 6.850 -11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.736 7.803 -13.902 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.145 6.775 -13.731 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.584 8.752 -13.336 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.189 9.811 -13.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.317 9.755 -15.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.758 9.098 -15.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.111 8.073 -15.587 1.00 0.00 H new ATOM 1369 N VAL A 84 -10.985 5.261 -8.058 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.453 3.990 -7.587 1.00 0.00 C ATOM 1371 C VAL A 84 -11.238 2.807 -8.174 1.00 0.00 C ATOM 1372 O VAL A 84 -12.211 2.331 -7.590 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.344 3.987 -6.050 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.645 4.289 -5.289 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.740 2.662 -5.575 1.00 0.00 C ATOM 0 H VAL A 84 -11.454 5.797 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.435 3.863 -7.956 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.688 4.823 -5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.454 4.261 -4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.008 5.278 -5.567 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.397 3.542 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.665 2.665 -4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.378 1.837 -5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.747 2.540 -6.007 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.800 2.331 -9.346 1.00 0.00 N ATOM 1386 CA ASP A 85 -11.435 1.262 -10.096 1.00 0.00 C ATOM 1387 C ASP A 85 -10.676 -0.029 -9.809 1.00 0.00 C ATOM 1388 O ASP A 85 -9.810 -0.423 -10.591 1.00 0.00 O ATOM 1389 CB ASP A 85 -11.411 1.625 -11.589 1.00 0.00 C ATOM 1390 CG ASP A 85 -11.991 0.515 -12.464 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -11.322 0.066 -13.392 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -13.247 0.092 -12.145 1.00 0.00 O ATOM 0 H ASP A 85 -9.966 2.697 -9.806 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.476 1.124 -9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.978 2.543 -11.747 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.385 1.827 -11.895 1.00 0.00 H new ATOM 1398 N TYR A 86 -10.976 -0.677 -8.676 1.00 0.00 N ATOM 1399 CA TYR A 86 -10.255 -1.879 -8.286 1.00 0.00 C ATOM 1400 C TYR A 86 -10.748 -3.099 -9.063 1.00 0.00 C ATOM 1401 O TYR A 86 -11.827 -3.077 -9.656 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.314 -2.111 -6.767 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.518 -2.890 -6.264 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -12.724 -2.226 -5.976 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -11.432 -4.287 -6.091 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -13.832 -2.950 -5.504 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -12.549 -5.013 -5.645 1.00 0.00 C ATOM 1408 CZ TYR A 86 -13.744 -4.343 -5.336 1.00 0.00 C ATOM 1409 OH TYR A 86 -14.815 -5.048 -4.869 1.00 0.00 O ATOM 0 H TYR A 86 -11.706 -0.387 -8.025 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.207 -1.728 -8.545 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.410 -2.640 -6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.298 -1.141 -6.269 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.799 -1.158 -6.118 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.505 -4.800 -6.302 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.752 -2.436 -5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.489 -6.086 -5.540 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.582 -5.998 -4.815 1.00 0.00 H new ATOM 1419 N SER A 87 -9.956 -4.175 -9.025 1.00 0.00 N ATOM 1420 CA SER A 87 -10.298 -5.461 -9.600 1.00 0.00 C ATOM 1421 C SER A 87 -9.715 -6.577 -8.736 1.00 0.00 C ATOM 1422 O SER A 87 -8.592 -6.469 -8.250 1.00 0.00 O ATOM 1423 CB SER A 87 -9.764 -5.551 -11.033 1.00 0.00 C ATOM 1424 OG SER A 87 -10.246 -4.482 -11.819 1.00 0.00 O ATOM 0 H SER A 87 -9.038 -4.166 -8.580 1.00 0.00 H new ATOM 0 HA SER A 87 -11.382 -5.570 -9.630 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.674 -5.536 -11.021 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.065 -6.499 -11.478 1.00 0.00 H new ATOM 0 HG SER A 87 -9.891 -4.559 -12.729 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.486 -7.652 -8.550 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.060 -8.878 -7.894 1.00 0.00 C ATOM 1432 C PHE A 88 -9.492 -9.823 -8.959 1.00 0.00 C ATOM 1433 O PHE A 88 -10.095 -9.973 -10.022 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.269 -9.472 -7.144 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.533 -10.958 -7.343 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -10.571 -11.906 -6.951 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -12.716 -11.391 -7.972 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -10.788 -13.276 -7.171 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -12.940 -12.763 -8.186 1.00 0.00 C ATOM 1440 CZ PHE A 88 -11.978 -13.705 -7.783 1.00 0.00 C ATOM 0 H PHE A 88 -11.456 -7.688 -8.865 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.274 -8.701 -7.160 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.131 -9.290 -6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.161 -8.924 -7.448 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.658 -11.578 -6.477 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -13.453 -10.668 -8.291 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.043 -13.998 -6.871 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.852 -13.093 -8.661 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.153 -14.758 -7.944 1.00 0.00 H new ATOM 1450 N SER A 89 -8.348 -10.462 -8.675 1.00 0.00 N ATOM 1451 CA SER A 89 -7.753 -11.474 -9.543 1.00 0.00 C ATOM 1452 C SER A 89 -7.274 -12.683 -8.735 1.00 0.00 C ATOM 1453 O SER A 89 -7.320 -12.684 -7.507 1.00 0.00 O ATOM 1454 CB SER A 89 -6.591 -10.870 -10.341 1.00 0.00 C ATOM 1455 OG SER A 89 -6.941 -9.607 -10.869 1.00 0.00 O ATOM 0 H SER A 89 -7.809 -10.285 -7.827 1.00 0.00 H new ATOM 0 HA SER A 89 -8.519 -11.817 -10.238 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.717 -10.769 -9.698 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.314 -11.543 -11.152 1.00 0.00 H new ATOM 0 HG SER A 89 -6.184 -9.242 -11.372 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.771 -13.701 -9.438 1.00 0.00 N ATOM 1462 CA GLU A 90 -6.119 -14.860 -8.846 1.00 0.00 C ATOM 1463 C GLU A 90 -4.632 -14.550 -8.710 1.00 0.00 C ATOM 1464 O GLU A 90 -4.040 -13.963 -9.615 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.336 -16.102 -9.718 1.00 0.00 C ATOM 1466 CG GLU A 90 -7.782 -16.604 -9.654 1.00 0.00 C ATOM 1467 CD GLU A 90 -8.786 -15.658 -10.310 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -9.673 -15.151 -9.627 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -8.612 -15.429 -11.643 1.00 0.00 O ATOM 0 H GLU A 90 -6.809 -13.738 -10.457 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.546 -15.069 -7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.079 -15.869 -10.751 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.662 -16.895 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.842 -17.578 -10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.061 -16.751 -8.611 1.00 0.00 H new ATOM 1477 N TYR A 91 -4.041 -14.922 -7.571 1.00 0.00 N ATOM 1478 CA TYR A 91 -2.667 -14.620 -7.230 1.00 0.00 C ATOM 1479 C TYR A 91 -1.686 -15.312 -8.179 1.00 0.00 C ATOM 1480 O TYR A 91 -1.874 -16.471 -8.545 1.00 0.00 O ATOM 1481 CB TYR A 91 -2.426 -14.992 -5.763 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.245 -16.475 -5.504 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -3.354 -17.343 -5.501 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -0.946 -17.008 -5.410 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -3.163 -18.734 -5.444 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -0.755 -18.398 -5.342 1.00 0.00 C ATOM 1487 CZ TYR A 91 -1.863 -19.262 -5.363 1.00 0.00 C ATOM 1488 OH TYR A 91 -1.680 -20.612 -5.309 1.00 0.00 O ATOM 0 H TYR A 91 -4.526 -15.455 -6.849 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.489 -13.551 -7.350 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.539 -14.465 -5.410 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.267 -14.634 -5.169 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.354 -16.938 -5.543 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.093 -16.346 -5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.015 -19.397 -5.462 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.244 -18.803 -5.274 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.722 -20.810 -5.257 1.00 0.00 H new ATOM 1498 N LYS A 92 -0.636 -14.581 -8.571 1.00 0.00 N ATOM 1499 CA LYS A 92 0.456 -15.101 -9.377 1.00 0.00 C ATOM 1500 C LYS A 92 1.413 -15.890 -8.481 1.00 0.00 C ATOM 1501 O LYS A 92 1.748 -17.033 -8.782 1.00 0.00 O ATOM 1502 CB LYS A 92 1.161 -13.943 -10.083 1.00 0.00 C ATOM 1503 CG LYS A 92 2.290 -14.475 -10.971 1.00 0.00 C ATOM 1504 CD LYS A 92 2.705 -13.442 -12.019 1.00 0.00 C ATOM 1505 CE LYS A 92 3.331 -12.192 -11.391 1.00 0.00 C ATOM 1506 NZ LYS A 92 3.741 -11.274 -12.435 1.00 0.00 N ATOM 0 H LYS A 92 -0.527 -13.596 -8.329 1.00 0.00 H new ATOM 0 HA LYS A 92 0.077 -15.778 -10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.445 -13.386 -10.687 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.564 -13.249 -9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.150 -14.735 -10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.965 -15.390 -11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.417 -13.894 -12.709 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.833 -13.153 -12.605 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.613 -11.708 -10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.190 -12.471 -10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.165 -10.427 -12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.440 -11.738 -13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.912 -10.998 -12.999 1.00 0.00 H new ATOM 1519 N GLY A 93 1.839 -15.266 -7.377 1.00 0.00 N ATOM 1520 CA GLY A 93 2.706 -15.860 -6.380 1.00 0.00 C ATOM 1521 C GLY A 93 2.526 -15.127 -5.055 1.00 0.00 C ATOM 1522 O GLY A 93 1.717 -14.205 -4.950 1.00 0.00 O ATOM 0 H GLY A 93 1.576 -14.306 -7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.469 -16.917 -6.259 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.745 -15.801 -6.703 1.00 0.00 H new ATOM 1526 N GLU A 94 3.292 -15.541 -4.044 1.00 0.00 N ATOM 1527 CA GLU A 94 3.284 -14.946 -2.721 1.00 0.00 C ATOM 1528 C GLU A 94 4.096 -13.651 -2.740 1.00 0.00 C ATOM 1529 O GLU A 94 5.325 -13.668 -2.764 1.00 0.00 O ATOM 1530 CB GLU A 94 3.731 -15.949 -1.646 1.00 0.00 C ATOM 1531 CG GLU A 94 5.077 -16.643 -1.903 1.00 0.00 C ATOM 1532 CD GLU A 94 5.428 -17.602 -0.768 1.00 0.00 C ATOM 1533 OE1 GLU A 94 5.521 -18.805 -1.001 1.00 0.00 O ATOM 1534 OE2 GLU A 94 5.617 -17.037 0.458 1.00 0.00 O ATOM 0 H GLU A 94 3.948 -16.317 -4.132 1.00 0.00 H new ATOM 0 HA GLU A 94 2.264 -14.680 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.788 -15.428 -0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.961 -16.714 -1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.033 -17.190 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.862 -15.894 -2.006 1.00 0.00 H new ATOM 1542 N PHE A 95 3.389 -12.521 -2.741 1.00 0.00 N ATOM 1543 CA PHE A 95 3.964 -11.190 -2.661 1.00 0.00 C ATOM 1544 C PHE A 95 4.333 -10.926 -1.200 1.00 0.00 C ATOM 1545 O PHE A 95 3.659 -10.145 -0.538 1.00 0.00 O ATOM 1546 CB PHE A 95 2.940 -10.160 -3.171 1.00 0.00 C ATOM 1547 CG PHE A 95 2.368 -10.350 -4.571 1.00 0.00 C ATOM 1548 CD1 PHE A 95 2.953 -11.230 -5.506 1.00 0.00 C ATOM 1549 CD2 PHE A 95 1.222 -9.618 -4.938 1.00 0.00 C ATOM 1550 CE1 PHE A 95 2.351 -11.432 -6.760 1.00 0.00 C ATOM 1551 CE2 PHE A 95 0.635 -9.800 -6.204 1.00 0.00 C ATOM 1552 CZ PHE A 95 1.191 -10.721 -7.108 1.00 0.00 C ATOM 0 H PHE A 95 2.371 -12.513 -2.799 1.00 0.00 H new ATOM 0 HA PHE A 95 4.857 -11.108 -3.280 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.106 -10.143 -2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.409 -9.177 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.866 -11.750 -5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.791 -8.912 -4.243 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.781 -12.135 -7.457 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.241 -9.233 -6.480 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.727 -10.882 -8.070 1.00 0.00 H new ATOM 1562 N GLU A 96 5.364 -11.615 -0.692 1.00 0.00 N ATOM 1563 CA GLU A 96 5.711 -11.667 0.724 1.00 0.00 C ATOM 1564 C GLU A 96 5.829 -10.273 1.346 1.00 0.00 C ATOM 1565 O GLU A 96 6.547 -9.425 0.820 1.00 0.00 O ATOM 1566 CB GLU A 96 7.012 -12.455 0.927 1.00 0.00 C ATOM 1567 CG GLU A 96 6.848 -13.927 0.531 1.00 0.00 C ATOM 1568 CD GLU A 96 8.105 -14.729 0.844 1.00 0.00 C ATOM 1569 OE1 GLU A 96 8.095 -15.534 1.771 1.00 0.00 O ATOM 1570 OE2 GLU A 96 9.182 -14.484 0.044 1.00 0.00 O ATOM 0 H GLU A 96 5.994 -12.165 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 96 4.897 -12.180 1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.807 -12.004 0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.318 -12.390 1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.999 -14.356 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.626 -13.997 -0.534 1.00 0.00 H new ATOM 1578 N ASP A 97 5.111 -10.059 2.460 1.00 0.00 N ATOM 1579 CA ASP A 97 4.982 -8.784 3.166 1.00 0.00 C ATOM 1580 C ASP A 97 4.225 -7.762 2.312 1.00 0.00 C ATOM 1581 O ASP A 97 3.886 -8.044 1.168 1.00 0.00 O ATOM 1582 CB ASP A 97 6.345 -8.258 3.654 1.00 0.00 C ATOM 1583 CG ASP A 97 7.046 -9.258 4.572 1.00 0.00 C ATOM 1584 OD1 ASP A 97 6.934 -9.139 5.790 1.00 0.00 O ATOM 1585 OD2 ASP A 97 7.768 -10.239 3.958 1.00 0.00 O ATOM 0 H ASP A 97 4.583 -10.807 2.910 1.00 0.00 H new ATOM 0 HA ASP A 97 4.388 -8.954 4.064 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.981 -8.046 2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.202 -7.317 4.184 1.00 0.00 H new ATOM 1591 N PHE A 98 3.939 -6.580 2.867 1.00 0.00 N ATOM 1592 CA PHE A 98 3.241 -5.513 2.162 1.00 0.00 C ATOM 1593 C PHE A 98 4.077 -4.243 2.289 1.00 0.00 C ATOM 1594 O PHE A 98 3.939 -3.518 3.272 1.00 0.00 O ATOM 1595 CB PHE A 98 1.822 -5.360 2.729 1.00 0.00 C ATOM 1596 CG PHE A 98 0.815 -4.624 1.858 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.152 -3.453 1.149 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.513 -5.085 1.824 1.00 0.00 C ATOM 1599 CE1 PHE A 98 0.178 -2.777 0.396 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.491 -4.395 1.091 1.00 0.00 C ATOM 1601 CZ PHE A 98 -1.144 -3.246 0.365 1.00 0.00 C ATOM 0 H PHE A 98 4.190 -6.340 3.826 1.00 0.00 H new ATOM 0 HA PHE A 98 3.124 -5.739 1.102 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.429 -6.355 2.937 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.891 -4.839 3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.163 -3.074 1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.783 -5.979 2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.448 -1.892 -0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.511 -4.749 1.086 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.891 -2.725 -0.215 1.00 0.00 H new ATOM 1611 N GLU A 99 4.945 -3.977 1.305 1.00 0.00 N ATOM 1612 CA GLU A 99 5.839 -2.825 1.337 1.00 0.00 C ATOM 1613 C GLU A 99 5.461 -1.827 0.243 1.00 0.00 C ATOM 1614 O GLU A 99 4.782 -2.174 -0.717 1.00 0.00 O ATOM 1615 CB GLU A 99 7.293 -3.294 1.234 1.00 0.00 C ATOM 1616 CG GLU A 99 8.258 -2.105 1.332 1.00 0.00 C ATOM 1617 CD GLU A 99 9.704 -2.576 1.446 1.00 0.00 C ATOM 1618 OE1 GLU A 99 10.410 -2.606 0.439 1.00 0.00 O ATOM 1619 OE2 GLU A 99 10.117 -2.937 2.694 1.00 0.00 O ATOM 0 H GLU A 99 5.043 -4.555 0.470 1.00 0.00 H new ATOM 0 HA GLU A 99 5.734 -2.302 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.507 -4.008 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.446 -3.815 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.148 -1.470 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.002 -1.496 2.199 1.00 0.00 H new ATOM 1627 N THR A 100 5.875 -0.572 0.415 1.00 0.00 N ATOM 1628 CA THR A 100 5.437 0.545 -0.400 1.00 0.00 C ATOM 1629 C THR A 100 6.606 1.095 -1.223 1.00 0.00 C ATOM 1630 O THR A 100 7.744 1.079 -0.756 1.00 0.00 O ATOM 1631 CB THR A 100 4.833 1.616 0.528 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.828 2.472 1.050 1.00 0.00 O ATOM 1633 CG2 THR A 100 4.102 0.985 1.724 1.00 0.00 C ATOM 0 H THR A 100 6.538 -0.305 1.142 1.00 0.00 H new ATOM 0 HA THR A 100 4.675 0.223 -1.110 1.00 0.00 H new ATOM 0 HB THR A 100 4.132 2.180 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.411 3.141 1.633 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.690 1.772 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.294 0.349 1.362 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.803 0.385 2.304 1.00 0.00 H new ATOM 1641 N TYR A 101 6.319 1.637 -2.412 1.00 0.00 N ATOM 1642 CA TYR A 101 7.135 2.731 -2.943 1.00 0.00 C ATOM 1643 C TYR A 101 6.718 4.034 -2.250 1.00 0.00 C ATOM 1644 O TYR A 101 7.581 4.937 -2.171 1.00 0.00 O ATOM 1645 CB TYR A 101 6.997 2.875 -4.468 1.00 0.00 C ATOM 1646 CG TYR A 101 7.490 1.748 -5.362 1.00 0.00 C ATOM 1647 CD1 TYR A 101 8.345 0.748 -4.864 1.00 0.00 C ATOM 1648 CD2 TYR A 101 7.243 1.811 -6.748 1.00 0.00 C ATOM 1649 CE1 TYR A 101 8.975 -0.155 -5.736 1.00 0.00 C ATOM 1650 CE2 TYR A 101 7.941 0.964 -7.628 1.00 0.00 C ATOM 1651 CZ TYR A 101 8.796 -0.030 -7.122 1.00 0.00 C ATOM 1652 OH TYR A 101 9.449 -0.874 -7.971 1.00 0.00 O ATOM 1653 OXT TYR A 101 5.548 4.120 -1.817 1.00 0.00 O ATOM 0 H TYR A 101 5.547 1.344 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 101 8.183 2.507 -2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.942 3.033 -4.690 1.00 0.00 H new ATOM 0 HB3 TYR A 101 7.524 3.783 -4.762 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.519 0.674 -3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.517 2.510 -7.135 1.00 0.00 H new ATOM 0 HE1 TYR A 101 9.596 -0.945 -5.340 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.820 1.078 -8.695 1.00 0.00 H new ATOM 0 HH TYR A 101 9.214 -0.653 -8.896 1.00 0.00 H new