USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 991 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 116 SER OG : rot -86:sc= 1.25 USER MOD Set 1.2: A 117 SER OG : rot 91:sc= 0.0833 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -152:sc= -0.201 (180deg=-1.06) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= 0.917 (180deg=0.577) USER MOD Single : A 26 ASN : amide:sc=-0.00963 K(o=-0.0096,f=-1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -156:sc= 0.547 USER MOD Single : A 35 GLN : amide:sc= 0.815 K(o=0.81,f=-1.1) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.15) USER MOD Single : A 58 ASN : amide:sc= -0.0349 K(o=-0.035,f=-1.7!) USER MOD Single : A 62 SER OG : rot 98:sc= -0.0519 USER MOD Single : A 63 MET CE :methyl 177:sc= -1.12 (180deg=-1.13) USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= 2.39 (180deg=2.28) USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= 1.2 (180deg=0.182) USER MOD Single : A 73 SER OG : rot 47:sc= 1.23 USER MOD Single : A 76 TYR OH : rot 42:sc= 0.992 USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0733) USER MOD Single : A 79 GLN : amide:sc= -0.637 X(o=-0.64,f=-0.66) USER MOD Single : A 86 ASN : amide:sc= 0.0341 X(o=0.034,f=-0.34) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : +bothHN:sc= 0.266 K(o=0.27,f=-5.9!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 110 LYS NZ :NH3+ 172:sc=-0.00835 (180deg=-0.117) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 75:sc= 1.34 USER MOD Single : A 130 SER OG : rot -105:sc= -0.412! USER MOD Single : A 131 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.095) USER MOD Single : A 133 TYR OH : rot -81:sc= 0.177 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= -0.274 USER MOD ----------------------------------------------------------------- ATOM 215 N TYR A 14 -5.548 -12.013 -7.358 1.00 0.00 N ATOM 216 CA TYR A 14 -6.565 -11.040 -7.004 1.00 0.00 C ATOM 217 C TYR A 14 -6.159 -9.660 -7.489 1.00 0.00 C ATOM 218 O TYR A 14 -5.165 -9.089 -7.037 1.00 0.00 O ATOM 219 CB TYR A 14 -6.823 -11.041 -5.496 1.00 0.00 C ATOM 220 CG TYR A 14 -7.615 -12.243 -5.033 1.00 0.00 C ATOM 221 CD1 TYR A 14 -6.988 -13.449 -4.743 1.00 0.00 C ATOM 222 CD2 TYR A 14 -8.997 -12.174 -4.902 1.00 0.00 C ATOM 223 CE1 TYR A 14 -7.717 -14.553 -4.338 1.00 0.00 C ATOM 224 CE2 TYR A 14 -9.731 -13.272 -4.494 1.00 0.00 C ATOM 225 CZ TYR A 14 -9.088 -14.458 -4.215 1.00 0.00 C ATOM 226 OH TYR A 14 -9.818 -15.556 -3.816 1.00 0.00 O ATOM 0 HA TYR A 14 -7.497 -11.317 -7.496 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.869 -11.017 -4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.360 -10.132 -5.224 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.915 -13.526 -4.835 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.506 -11.247 -5.123 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.216 -15.484 -4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.804 -13.200 -4.394 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.769 -15.321 -3.779 1.00 0.00 H new ATOM 236 N ALA A 15 -6.923 -9.151 -8.437 1.00 0.00 N ATOM 237 CA ALA A 15 -6.656 -7.858 -9.031 1.00 0.00 C ATOM 238 C ALA A 15 -7.962 -7.191 -9.426 1.00 0.00 C ATOM 239 O ALA A 15 -8.888 -7.860 -9.882 1.00 0.00 O ATOM 240 CB ALA A 15 -5.761 -8.020 -10.250 1.00 0.00 C ATOM 0 H ALA A 15 -7.744 -9.623 -8.815 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.145 -7.230 -8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.565 -7.042 -10.690 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.818 -8.478 -9.951 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.257 -8.656 -10.984 1.00 0.00 H new ATOM 246 N MET A 16 -8.043 -5.886 -9.241 1.00 0.00 N ATOM 247 CA MET A 16 -9.221 -5.149 -9.657 1.00 0.00 C ATOM 248 C MET A 16 -8.928 -4.397 -10.942 1.00 0.00 C ATOM 249 O MET A 16 -8.206 -3.401 -10.948 1.00 0.00 O ATOM 250 CB MET A 16 -9.701 -4.185 -8.574 1.00 0.00 C ATOM 251 CG MET A 16 -11.006 -3.493 -8.942 1.00 0.00 C ATOM 252 SD MET A 16 -11.675 -2.478 -7.614 1.00 0.00 S ATOM 253 CE MET A 16 -11.909 -3.703 -6.330 1.00 0.00 C ATOM 0 H MET A 16 -7.313 -5.319 -8.809 1.00 0.00 H new ATOM 0 HA MET A 16 -10.023 -5.867 -9.830 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.835 -4.731 -7.640 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.933 -3.433 -8.396 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.842 -2.868 -9.820 1.00 0.00 H new ATOM 0 HG3 MET A 16 -11.743 -4.247 -9.220 1.00 0.00 H new ATOM 0 HE1 MET A 16 -12.724 -3.393 -5.676 1.00 0.00 H new ATOM 0 HE2 MET A 16 -12.153 -4.664 -6.784 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.993 -3.799 -5.748 1.00 0.00 H new ATOM 263 N LYS A 17 -9.481 -4.898 -12.026 1.00 0.00 N ATOM 264 CA LYS A 17 -9.265 -4.326 -13.338 1.00 0.00 C ATOM 265 C LYS A 17 -10.606 -4.045 -13.999 1.00 0.00 C ATOM 266 O LYS A 17 -11.616 -4.643 -13.622 1.00 0.00 O ATOM 267 CB LYS A 17 -8.433 -5.293 -14.189 1.00 0.00 C ATOM 268 CG LYS A 17 -9.033 -6.688 -14.281 1.00 0.00 C ATOM 269 CD LYS A 17 -8.076 -7.664 -14.943 1.00 0.00 C ATOM 270 CE LYS A 17 -8.679 -9.054 -15.040 1.00 0.00 C ATOM 271 NZ LYS A 17 -7.711 -10.037 -15.592 1.00 0.00 N ATOM 0 H LYS A 17 -10.093 -5.714 -12.023 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.720 -3.387 -13.245 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.329 -4.883 -15.194 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.430 -5.364 -13.768 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.283 -7.044 -13.282 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.963 -6.648 -14.848 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.822 -7.306 -15.941 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.148 -7.708 -14.374 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.004 -9.379 -14.052 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.566 -9.022 -15.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.159 -10.974 -15.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.420 -9.740 -16.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.876 -10.086 -14.975 1.00 0.00 H new ATOM 285 N PRO A 18 -10.648 -3.117 -14.967 1.00 0.00 N ATOM 286 CA PRO A 18 -11.877 -2.805 -15.697 1.00 0.00 C ATOM 287 C PRO A 18 -12.415 -4.028 -16.437 1.00 0.00 C ATOM 288 O PRO A 18 -11.823 -4.490 -17.419 1.00 0.00 O ATOM 289 CB PRO A 18 -11.458 -1.708 -16.686 1.00 0.00 C ATOM 290 CG PRO A 18 -9.970 -1.792 -16.761 1.00 0.00 C ATOM 291 CD PRO A 18 -9.511 -2.299 -15.424 1.00 0.00 C ATOM 0 HA PRO A 18 -12.680 -2.489 -15.032 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -11.911 -1.867 -17.665 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.780 -0.725 -16.342 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.658 -2.464 -17.560 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.535 -0.816 -16.977 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.598 -2.889 -15.509 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.300 -1.482 -14.734 1.00 0.00 H new ATOM 299 N GLY A 19 -13.520 -4.564 -15.940 1.00 0.00 N ATOM 300 CA GLY A 19 -14.114 -5.739 -16.540 1.00 0.00 C ATOM 301 C GLY A 19 -14.354 -6.838 -15.526 1.00 0.00 C ATOM 302 O GLY A 19 -14.171 -8.019 -15.823 1.00 0.00 O ATOM 0 H GLY A 19 -14.018 -4.203 -15.126 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -15.059 -5.467 -17.009 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.461 -6.111 -17.330 1.00 0.00 H new ATOM 306 N LEU A 20 -14.760 -6.455 -14.323 1.00 0.00 N ATOM 307 CA LEU A 20 -15.047 -7.422 -13.272 1.00 0.00 C ATOM 308 C LEU A 20 -16.509 -7.352 -12.862 1.00 0.00 C ATOM 309 O LEU A 20 -17.228 -6.423 -13.234 1.00 0.00 O ATOM 310 CB LEU A 20 -14.161 -7.178 -12.049 1.00 0.00 C ATOM 311 CG LEU A 20 -12.664 -7.396 -12.268 1.00 0.00 C ATOM 312 CD1 LEU A 20 -11.900 -7.131 -10.981 1.00 0.00 C ATOM 313 CD2 LEU A 20 -12.392 -8.808 -12.768 1.00 0.00 C ATOM 0 H LEU A 20 -14.898 -5.482 -14.051 1.00 0.00 H new ATOM 0 HA LEU A 20 -14.835 -8.415 -13.669 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.315 -6.154 -11.708 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.492 -7.835 -11.245 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.321 -6.694 -13.028 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.835 -7.290 -11.151 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.067 -6.102 -10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.249 -7.811 -10.204 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.320 -8.941 -12.917 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.748 -9.529 -12.033 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.912 -8.966 -13.713 1.00 0.00 H new ATOM 325 N SER A 21 -16.939 -8.333 -12.089 1.00 0.00 N ATOM 326 CA SER A 21 -18.308 -8.378 -11.608 1.00 0.00 C ATOM 327 C SER A 21 -18.374 -7.943 -10.141 1.00 0.00 C ATOM 328 O SER A 21 -17.355 -7.571 -9.552 1.00 0.00 O ATOM 329 CB SER A 21 -18.870 -9.788 -11.787 1.00 0.00 C ATOM 330 OG SER A 21 -18.741 -10.222 -13.134 1.00 0.00 O ATOM 0 H SER A 21 -16.357 -9.112 -11.780 1.00 0.00 H new ATOM 0 HA SER A 21 -18.916 -7.685 -12.189 1.00 0.00 H new ATOM 0 HB2 SER A 21 -18.345 -10.479 -11.127 1.00 0.00 H new ATOM 0 HB3 SER A 21 -19.920 -9.804 -11.495 1.00 0.00 H new ATOM 0 HG SER A 21 -19.106 -11.127 -13.222 1.00 0.00 H new ATOM 336 N ALA A 22 -19.571 -7.998 -9.561 1.00 0.00 N ATOM 337 CA ALA A 22 -19.807 -7.490 -8.211 1.00 0.00 C ATOM 338 C ALA A 22 -19.023 -8.268 -7.158 1.00 0.00 C ATOM 339 O ALA A 22 -18.260 -7.682 -6.386 1.00 0.00 O ATOM 340 CB ALA A 22 -21.294 -7.526 -7.893 1.00 0.00 C ATOM 0 H ALA A 22 -20.398 -8.392 -10.009 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.453 -6.459 -8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -21.460 -7.146 -6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.834 -6.906 -8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -21.655 -8.552 -7.957 1.00 0.00 H new ATOM 346 N LEU A 23 -19.206 -9.583 -7.131 1.00 0.00 N ATOM 347 CA LEU A 23 -18.543 -10.427 -6.145 1.00 0.00 C ATOM 348 C LEU A 23 -17.039 -10.429 -6.376 1.00 0.00 C ATOM 349 O LEU A 23 -16.257 -10.473 -5.430 1.00 0.00 O ATOM 350 CB LEU A 23 -19.080 -11.857 -6.206 1.00 0.00 C ATOM 351 CG LEU A 23 -20.571 -12.013 -5.896 1.00 0.00 C ATOM 352 CD1 LEU A 23 -20.983 -13.471 -5.996 1.00 0.00 C ATOM 353 CD2 LEU A 23 -20.889 -11.464 -4.513 1.00 0.00 C ATOM 0 H LEU A 23 -19.808 -10.088 -7.781 1.00 0.00 H new ATOM 0 HA LEU A 23 -18.751 -10.019 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -18.890 -12.256 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -18.514 -12.470 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 23 -21.138 -11.442 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -22.046 -13.565 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -20.791 -13.835 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -20.409 -14.061 -5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -21.953 -11.583 -4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.313 -12.008 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.628 -10.406 -4.473 1.00 0.00 H new ATOM 365 N GLU A 24 -16.654 -10.370 -7.642 1.00 0.00 N ATOM 366 CA GLU A 24 -15.248 -10.328 -8.026 1.00 0.00 C ATOM 367 C GLU A 24 -14.552 -9.119 -7.409 1.00 0.00 C ATOM 368 O GLU A 24 -13.499 -9.250 -6.785 1.00 0.00 O ATOM 369 CB GLU A 24 -15.122 -10.299 -9.554 1.00 0.00 C ATOM 370 CG GLU A 24 -15.345 -11.653 -10.222 1.00 0.00 C ATOM 371 CD GLU A 24 -16.570 -12.389 -9.705 1.00 0.00 C ATOM 372 OE1 GLU A 24 -17.706 -11.931 -9.961 1.00 0.00 O ATOM 373 OE2 GLU A 24 -16.397 -13.415 -9.019 1.00 0.00 O ATOM 0 H GLU A 24 -17.302 -10.350 -8.429 1.00 0.00 H new ATOM 0 HA GLU A 24 -14.759 -11.226 -7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.842 -9.585 -9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.130 -9.934 -9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.446 -11.507 -11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.464 -12.276 -10.066 1.00 0.00 H new ATOM 380 N LYS A 25 -15.152 -7.944 -7.574 1.00 0.00 N ATOM 381 CA LYS A 25 -14.625 -6.727 -6.965 1.00 0.00 C ATOM 382 C LYS A 25 -14.625 -6.841 -5.444 1.00 0.00 C ATOM 383 O LYS A 25 -13.629 -6.529 -4.789 1.00 0.00 O ATOM 384 CB LYS A 25 -15.452 -5.505 -7.376 1.00 0.00 C ATOM 385 CG LYS A 25 -15.082 -4.912 -8.726 1.00 0.00 C ATOM 386 CD LYS A 25 -15.905 -3.666 -9.002 1.00 0.00 C ATOM 387 CE LYS A 25 -15.379 -2.883 -10.191 1.00 0.00 C ATOM 388 NZ LYS A 25 -16.182 -1.653 -10.426 1.00 0.00 N ATOM 0 H LYS A 25 -16.001 -7.809 -8.123 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.602 -6.601 -7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -16.505 -5.785 -7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.340 -4.735 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.020 -4.665 -8.743 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.251 -5.648 -9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.941 -3.950 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.902 -3.028 -8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.337 -2.612 -10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.402 -3.511 -11.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.617 -0.967 -10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.039 -1.895 -10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.452 -1.235 -9.513 1.00 0.00 H new ATOM 402 N ASN A 26 -15.742 -7.301 -4.895 1.00 0.00 N ATOM 403 CA ASN A 26 -15.920 -7.380 -3.448 1.00 0.00 C ATOM 404 C ASN A 26 -14.889 -8.314 -2.814 1.00 0.00 C ATOM 405 O ASN A 26 -14.343 -8.020 -1.749 1.00 0.00 O ATOM 406 CB ASN A 26 -17.337 -7.853 -3.117 1.00 0.00 C ATOM 407 CG ASN A 26 -17.691 -7.666 -1.655 1.00 0.00 C ATOM 408 OD1 ASN A 26 -17.177 -6.767 -0.990 1.00 0.00 O ATOM 409 ND2 ASN A 26 -18.575 -8.507 -1.143 1.00 0.00 N ATOM 0 H ASN A 26 -16.545 -7.628 -5.433 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.771 -6.383 -3.033 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -18.051 -7.305 -3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.434 -8.907 -3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -18.852 -8.423 -0.165 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -18.979 -9.240 -1.726 1.00 0.00 H new ATOM 416 N ALA A 27 -14.616 -9.429 -3.484 1.00 0.00 N ATOM 417 CA ALA A 27 -13.638 -10.399 -3.002 1.00 0.00 C ATOM 418 C ALA A 27 -12.239 -9.795 -2.968 1.00 0.00 C ATOM 419 O ALA A 27 -11.477 -10.027 -2.031 1.00 0.00 O ATOM 420 CB ALA A 27 -13.657 -11.649 -3.873 1.00 0.00 C ATOM 0 H ALA A 27 -15.060 -9.684 -4.366 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.910 -10.677 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.922 -12.363 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.649 -12.099 -3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.413 -11.380 -4.901 1.00 0.00 H new ATOM 426 N VAL A 28 -11.911 -9.010 -3.990 1.00 0.00 N ATOM 427 CA VAL A 28 -10.609 -8.356 -4.063 1.00 0.00 C ATOM 428 C VAL A 28 -10.450 -7.339 -2.936 1.00 0.00 C ATOM 429 O VAL A 28 -9.386 -7.238 -2.325 1.00 0.00 O ATOM 430 CB VAL A 28 -10.395 -7.659 -5.427 1.00 0.00 C ATOM 431 CG1 VAL A 28 -9.076 -6.900 -5.455 1.00 0.00 C ATOM 432 CG2 VAL A 28 -10.442 -8.678 -6.555 1.00 0.00 C ATOM 0 H VAL A 28 -12.528 -8.812 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.853 -9.134 -3.954 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.202 -6.940 -5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.953 -6.420 -6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.076 -6.141 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.253 -7.594 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.290 -8.172 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.657 -9.420 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.413 -9.173 -6.558 1.00 0.00 H new ATOM 442 N ILE A 29 -11.520 -6.602 -2.652 1.00 0.00 N ATOM 443 CA ILE A 29 -11.511 -5.623 -1.570 1.00 0.00 C ATOM 444 C ILE A 29 -11.330 -6.319 -0.222 1.00 0.00 C ATOM 445 O ILE A 29 -10.514 -5.897 0.598 1.00 0.00 O ATOM 446 CB ILE A 29 -12.811 -4.783 -1.556 1.00 0.00 C ATOM 447 CG1 ILE A 29 -12.992 -4.066 -2.897 1.00 0.00 C ATOM 448 CG2 ILE A 29 -12.785 -3.775 -0.416 1.00 0.00 C ATOM 449 CD1 ILE A 29 -14.274 -3.269 -2.993 1.00 0.00 C ATOM 0 H ILE A 29 -12.404 -6.664 -3.156 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.672 -4.950 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.655 -5.455 -1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.146 -3.398 -3.058 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.973 -4.804 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.707 -3.194 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.695 -4.302 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.934 -3.106 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.332 -2.790 -3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.127 -3.935 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.288 -2.507 -2.214 1.00 0.00 H new ATOM 461 N LYS A 30 -12.076 -7.400 -0.012 1.00 0.00 N ATOM 462 CA LYS A 30 -11.969 -8.192 1.213 1.00 0.00 C ATOM 463 C LYS A 30 -10.549 -8.730 1.382 1.00 0.00 C ATOM 464 O LYS A 30 -9.958 -8.650 2.470 1.00 0.00 O ATOM 465 CB LYS A 30 -12.976 -9.345 1.169 1.00 0.00 C ATOM 466 CG LYS A 30 -12.894 -10.310 2.344 1.00 0.00 C ATOM 467 CD LYS A 30 -13.155 -9.622 3.675 1.00 0.00 C ATOM 468 CE LYS A 30 -13.285 -10.641 4.797 1.00 0.00 C ATOM 469 NZ LYS A 30 -13.411 -10.001 6.131 1.00 0.00 N ATOM 0 H LYS A 30 -12.765 -7.750 -0.677 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.194 -7.554 2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.982 -8.928 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.826 -9.905 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.619 -11.112 2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.907 -10.772 2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.341 -8.932 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.067 -9.029 3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.157 -11.269 4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.414 -11.296 4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.497 -10.736 6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.568 -9.422 6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.257 -9.396 6.147 1.00 0.00 H new ATOM 483 N ALA A 31 -10.009 -9.272 0.297 1.00 0.00 N ATOM 484 CA ALA A 31 -8.645 -9.772 0.291 1.00 0.00 C ATOM 485 C ALA A 31 -7.672 -8.655 0.639 1.00 0.00 C ATOM 486 O ALA A 31 -6.788 -8.837 1.471 1.00 0.00 O ATOM 487 CB ALA A 31 -8.300 -10.375 -1.063 1.00 0.00 C ATOM 0 H ALA A 31 -10.499 -9.375 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.561 -10.555 1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.274 -10.744 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.979 -11.200 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.399 -9.613 -1.836 1.00 0.00 H new ATOM 493 N ALA A 32 -7.862 -7.494 0.015 1.00 0.00 N ATOM 494 CA ALA A 32 -7.013 -6.333 0.258 1.00 0.00 C ATOM 495 C ALA A 32 -6.985 -5.973 1.739 1.00 0.00 C ATOM 496 O ALA A 32 -5.928 -5.659 2.282 1.00 0.00 O ATOM 497 CB ALA A 32 -7.489 -5.143 -0.561 1.00 0.00 C ATOM 0 H ALA A 32 -8.603 -7.334 -0.668 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.000 -6.590 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.844 -4.286 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.451 -5.393 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.514 -4.896 -0.283 1.00 0.00 H new ATOM 503 N TYR A 33 -8.144 -6.034 2.386 1.00 0.00 N ATOM 504 CA TYR A 33 -8.234 -5.750 3.813 1.00 0.00 C ATOM 505 C TYR A 33 -7.278 -6.626 4.612 1.00 0.00 C ATOM 506 O TYR A 33 -6.372 -6.121 5.272 1.00 0.00 O ATOM 507 CB TYR A 33 -9.661 -5.946 4.336 1.00 0.00 C ATOM 508 CG TYR A 33 -10.600 -4.807 4.015 1.00 0.00 C ATOM 509 CD1 TYR A 33 -10.329 -3.515 4.449 1.00 0.00 C ATOM 510 CD2 TYR A 33 -11.758 -5.024 3.284 1.00 0.00 C ATOM 511 CE1 TYR A 33 -11.187 -2.472 4.162 1.00 0.00 C ATOM 512 CE2 TYR A 33 -12.622 -3.985 2.992 1.00 0.00 C ATOM 513 CZ TYR A 33 -12.332 -2.713 3.432 1.00 0.00 C ATOM 514 OH TYR A 33 -13.190 -1.677 3.147 1.00 0.00 O ATOM 0 H TYR A 33 -9.032 -6.277 1.946 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.953 -4.705 3.944 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.067 -6.866 3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.625 -6.078 5.417 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.433 -3.324 5.020 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.989 -6.020 2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.963 -1.473 4.507 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.520 -4.170 2.421 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.089 -2.032 2.987 1.00 0.00 H new ATOM 524 N ARG A 34 -7.454 -7.937 4.529 1.00 0.00 N ATOM 525 CA ARG A 34 -6.679 -8.837 5.376 1.00 0.00 C ATOM 526 C ARG A 34 -5.253 -9.027 4.852 1.00 0.00 C ATOM 527 O ARG A 34 -4.351 -9.381 5.609 1.00 0.00 O ATOM 528 CB ARG A 34 -7.378 -10.191 5.532 1.00 0.00 C ATOM 529 CG ARG A 34 -6.775 -11.037 6.642 1.00 0.00 C ATOM 530 CD ARG A 34 -7.546 -12.325 6.871 1.00 0.00 C ATOM 531 NE ARG A 34 -7.039 -13.050 8.036 1.00 0.00 N ATOM 532 CZ ARG A 34 -7.383 -14.295 8.361 1.00 0.00 C ATOM 533 NH1 ARG A 34 -8.240 -14.980 7.608 1.00 0.00 N ATOM 534 NH2 ARG A 34 -6.867 -14.854 9.447 1.00 0.00 N ATOM 0 H ARG A 34 -8.112 -8.396 3.898 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.612 -8.369 6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.436 -10.028 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.318 -10.737 4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.741 -11.275 6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.755 -10.459 7.566 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.603 -12.098 7.013 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.472 -12.957 5.986 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.375 -12.568 8.642 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.640 -14.552 6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.497 -15.933 7.866 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.211 -14.331 10.027 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.126 -15.807 9.702 1.00 0.00 H new ATOM 548 N GLN A 35 -5.043 -8.786 3.567 1.00 0.00 N ATOM 549 CA GLN A 35 -3.717 -8.948 2.975 1.00 0.00 C ATOM 550 C GLN A 35 -2.831 -7.737 3.264 1.00 0.00 C ATOM 551 O GLN A 35 -1.662 -7.887 3.621 1.00 0.00 O ATOM 552 CB GLN A 35 -3.835 -9.183 1.468 1.00 0.00 C ATOM 553 CG GLN A 35 -2.505 -9.216 0.730 1.00 0.00 C ATOM 554 CD GLN A 35 -2.653 -9.714 -0.693 1.00 0.00 C ATOM 555 OE1 GLN A 35 -3.497 -10.563 -0.981 1.00 0.00 O ATOM 556 NE2 GLN A 35 -1.842 -9.187 -1.596 1.00 0.00 N ATOM 0 H GLN A 35 -5.765 -8.480 2.915 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.246 -9.820 3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.353 -10.127 1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.456 -8.397 1.038 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.072 -8.216 0.720 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.809 -9.859 1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.156 -8.486 -1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.903 -9.482 -2.570 1.00 0.00 H new ATOM 565 N ILE A 36 -3.389 -6.544 3.121 1.00 0.00 N ATOM 566 CA ILE A 36 -2.631 -5.323 3.353 1.00 0.00 C ATOM 567 C ILE A 36 -2.480 -5.058 4.848 1.00 0.00 C ATOM 568 O ILE A 36 -1.377 -4.805 5.334 1.00 0.00 O ATOM 569 CB ILE A 36 -3.296 -4.102 2.670 1.00 0.00 C ATOM 570 CG1 ILE A 36 -3.337 -4.295 1.148 1.00 0.00 C ATOM 571 CG2 ILE A 36 -2.570 -2.809 3.027 1.00 0.00 C ATOM 572 CD1 ILE A 36 -1.974 -4.497 0.515 1.00 0.00 C ATOM 0 H ILE A 36 -4.360 -6.395 2.847 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.644 -5.466 2.913 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.319 -4.025 3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.964 -5.156 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.812 -3.425 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.059 -1.969 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.598 -2.662 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.533 -2.871 2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.088 -4.626 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.349 -3.626 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.504 -5.384 0.939 1.00 0.00 H new ATOM 584 N PHE A 37 -3.587 -5.148 5.575 1.00 0.00 N ATOM 585 CA PHE A 37 -3.595 -4.846 7.002 1.00 0.00 C ATOM 586 C PHE A 37 -3.166 -6.053 7.834 1.00 0.00 C ATOM 587 O PHE A 37 -3.043 -5.950 9.057 1.00 0.00 O ATOM 588 CB PHE A 37 -4.987 -4.382 7.443 1.00 0.00 C ATOM 589 CG PHE A 37 -5.417 -3.066 6.848 1.00 0.00 C ATOM 590 CD1 PHE A 37 -5.951 -3.006 5.569 1.00 0.00 C ATOM 591 CD2 PHE A 37 -5.291 -1.892 7.572 1.00 0.00 C ATOM 592 CE1 PHE A 37 -6.347 -1.799 5.026 1.00 0.00 C ATOM 593 CE2 PHE A 37 -5.688 -0.682 7.034 1.00 0.00 C ATOM 594 CZ PHE A 37 -6.216 -0.636 5.760 1.00 0.00 C ATOM 0 H PHE A 37 -4.493 -5.428 5.199 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.876 -4.044 7.170 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.715 -5.146 7.171 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.003 -4.299 8.530 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.058 -3.912 4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.877 -1.922 8.569 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.759 -1.765 4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.585 0.226 7.610 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.526 0.308 5.337 1.00 0.00 H new ATOM 604 N GLU A 38 -2.963 -7.197 7.166 1.00 0.00 N ATOM 605 CA GLU A 38 -2.547 -8.443 7.830 1.00 0.00 C ATOM 606 C GLU A 38 -3.619 -8.949 8.788 1.00 0.00 C ATOM 607 O GLU A 38 -3.382 -9.863 9.583 1.00 0.00 O ATOM 608 CB GLU A 38 -1.240 -8.235 8.593 1.00 0.00 C ATOM 609 CG GLU A 38 -0.025 -8.116 7.698 1.00 0.00 C ATOM 610 CD GLU A 38 0.373 -9.443 7.100 1.00 0.00 C ATOM 611 OE1 GLU A 38 0.928 -10.280 7.836 1.00 0.00 O ATOM 612 OE2 GLU A 38 0.156 -9.645 5.888 1.00 0.00 O ATOM 0 H GLU A 38 -3.081 -7.286 6.157 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.397 -9.191 7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.323 -7.333 9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.094 -9.069 9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.233 -7.406 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.809 -7.713 8.272 1.00 0.00 H new ATOM 720 N TYR A 45 -13.605 0.338 12.739 1.00 0.00 N ATOM 721 CA TYR A 45 -13.152 0.975 11.502 1.00 0.00 C ATOM 722 C TYR A 45 -13.324 2.495 11.542 1.00 0.00 C ATOM 723 O TYR A 45 -13.438 3.099 12.608 1.00 0.00 O ATOM 724 CB TYR A 45 -13.905 0.390 10.301 1.00 0.00 C ATOM 725 CG TYR A 45 -13.742 -1.104 10.160 1.00 0.00 C ATOM 726 CD1 TYR A 45 -12.481 -1.676 10.116 1.00 0.00 C ATOM 727 CD2 TYR A 45 -14.848 -1.939 10.070 1.00 0.00 C ATOM 728 CE1 TYR A 45 -12.322 -3.038 9.984 1.00 0.00 C ATOM 729 CE2 TYR A 45 -14.698 -3.308 9.939 1.00 0.00 C ATOM 730 CZ TYR A 45 -13.434 -3.853 9.895 1.00 0.00 C ATOM 731 OH TYR A 45 -13.277 -5.216 9.761 1.00 0.00 O ATOM 0 HA TYR A 45 -12.087 0.769 11.399 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -14.965 0.625 10.397 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -13.553 0.874 9.390 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.608 -1.044 10.186 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -15.840 -1.513 10.103 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.332 -3.467 9.950 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -15.567 -3.946 9.872 1.00 0.00 H new ATOM 0 HH TYR A 45 -14.158 -5.644 9.713 1.00 0.00 H new ATOM 741 N SER A 46 -13.304 3.101 10.368 1.00 0.00 N ATOM 742 CA SER A 46 -13.531 4.524 10.228 1.00 0.00 C ATOM 743 C SER A 46 -14.383 4.758 8.990 1.00 0.00 C ATOM 744 O SER A 46 -14.316 3.973 8.037 1.00 0.00 O ATOM 745 CB SER A 46 -12.192 5.270 10.119 1.00 0.00 C ATOM 746 OG SER A 46 -12.383 6.671 10.018 1.00 0.00 O ATOM 0 H SER A 46 -13.130 2.618 9.486 1.00 0.00 H new ATOM 0 HA SER A 46 -14.052 4.907 11.106 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.579 5.048 10.992 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.646 4.913 9.246 1.00 0.00 H new ATOM 0 HG SER A 46 -11.512 7.116 9.952 1.00 0.00 H new ATOM 752 N GLN A 47 -15.186 5.814 8.998 1.00 0.00 N ATOM 753 CA GLN A 47 -16.069 6.101 7.874 1.00 0.00 C ATOM 754 C GLN A 47 -15.264 6.393 6.614 1.00 0.00 C ATOM 755 O GLN A 47 -15.703 6.089 5.507 1.00 0.00 O ATOM 756 CB GLN A 47 -17.011 7.263 8.196 1.00 0.00 C ATOM 757 CG GLN A 47 -17.975 6.954 9.328 1.00 0.00 C ATOM 758 CD GLN A 47 -19.067 7.993 9.469 1.00 0.00 C ATOM 759 OE1 GLN A 47 -18.922 8.973 10.197 1.00 0.00 O ATOM 760 NE2 GLN A 47 -20.169 7.781 8.774 1.00 0.00 N ATOM 0 H GLN A 47 -15.245 6.483 9.766 1.00 0.00 H new ATOM 0 HA GLN A 47 -16.678 5.215 7.693 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -16.419 8.140 8.460 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -17.580 7.520 7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.429 5.978 9.156 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -17.420 6.888 10.264 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -20.247 6.954 8.182 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -20.942 8.444 8.829 1.00 0.00 H new ATOM 769 N SER A 48 -14.071 6.950 6.792 1.00 0.00 N ATOM 770 CA SER A 48 -13.180 7.225 5.672 1.00 0.00 C ATOM 771 C SER A 48 -12.748 5.928 4.984 1.00 0.00 C ATOM 772 O SER A 48 -12.497 5.906 3.780 1.00 0.00 O ATOM 773 CB SER A 48 -11.961 8.007 6.159 1.00 0.00 C ATOM 774 OG SER A 48 -12.361 9.187 6.834 1.00 0.00 O ATOM 0 H SER A 48 -13.699 7.220 7.703 1.00 0.00 H new ATOM 0 HA SER A 48 -13.718 7.827 4.940 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.366 7.384 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.325 8.264 5.312 1.00 0.00 H new ATOM 0 HG SER A 48 -11.567 9.674 7.140 1.00 0.00 H new ATOM 780 N ILE A 49 -12.698 4.840 5.746 1.00 0.00 N ATOM 781 CA ILE A 49 -12.326 3.543 5.195 1.00 0.00 C ATOM 782 C ILE A 49 -13.463 2.995 4.342 1.00 0.00 C ATOM 783 O ILE A 49 -13.247 2.536 3.221 1.00 0.00 O ATOM 784 CB ILE A 49 -11.971 2.535 6.311 1.00 0.00 C ATOM 785 CG1 ILE A 49 -10.807 3.066 7.151 1.00 0.00 C ATOM 786 CG2 ILE A 49 -11.632 1.169 5.724 1.00 0.00 C ATOM 787 CD1 ILE A 49 -9.543 3.324 6.356 1.00 0.00 C ATOM 0 H ILE A 49 -12.910 4.831 6.744 1.00 0.00 H new ATOM 0 HA ILE A 49 -11.440 3.683 4.575 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.841 2.415 6.956 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.115 3.992 7.636 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -10.587 2.350 7.943 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.386 0.478 6.530 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -12.489 0.789 5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.778 1.263 5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.765 3.698 7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.209 2.396 5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -9.745 4.064 5.581 1.00 0.00 H new ATOM 799 N SER A 50 -14.682 3.070 4.873 1.00 0.00 N ATOM 800 CA SER A 50 -15.870 2.666 4.131 1.00 0.00 C ATOM 801 C SER A 50 -16.015 3.541 2.886 1.00 0.00 C ATOM 802 O SER A 50 -16.457 3.082 1.828 1.00 0.00 O ATOM 803 CB SER A 50 -17.110 2.776 5.034 1.00 0.00 C ATOM 804 OG SER A 50 -18.290 2.317 4.387 1.00 0.00 O ATOM 0 H SER A 50 -14.871 3.408 5.817 1.00 0.00 H new ATOM 0 HA SER A 50 -15.773 1.628 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.948 2.197 5.943 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.245 3.814 5.338 1.00 0.00 H new ATOM 0 HG SER A 50 -19.052 2.403 4.997 1.00 0.00 H new ATOM 810 N TYR A 51 -15.619 4.801 3.027 1.00 0.00 N ATOM 811 CA TYR A 51 -15.598 5.744 1.920 1.00 0.00 C ATOM 812 C TYR A 51 -14.684 5.234 0.810 1.00 0.00 C ATOM 813 O TYR A 51 -15.112 5.084 -0.335 1.00 0.00 O ATOM 814 CB TYR A 51 -15.120 7.110 2.421 1.00 0.00 C ATOM 815 CG TYR A 51 -15.159 8.209 1.385 1.00 0.00 C ATOM 816 CD1 TYR A 51 -16.330 8.912 1.143 1.00 0.00 C ATOM 817 CD2 TYR A 51 -14.024 8.556 0.662 1.00 0.00 C ATOM 818 CE1 TYR A 51 -16.372 9.927 0.210 1.00 0.00 C ATOM 819 CE2 TYR A 51 -14.058 9.570 -0.274 1.00 0.00 C ATOM 820 CZ TYR A 51 -15.234 10.251 -0.495 1.00 0.00 C ATOM 821 OH TYR A 51 -15.272 11.263 -1.425 1.00 0.00 O ATOM 0 H TYR A 51 -15.304 5.196 3.913 1.00 0.00 H new ATOM 0 HA TYR A 51 -16.605 5.846 1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -15.736 7.407 3.270 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -14.098 7.011 2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.224 8.660 1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -13.100 8.024 0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -17.292 10.465 0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -13.168 9.827 -0.829 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.387 11.366 -1.833 1.00 0.00 H new ATOM 831 N LEU A 52 -13.431 4.948 1.167 1.00 0.00 N ATOM 832 CA LEU A 52 -12.443 4.447 0.212 1.00 0.00 C ATOM 833 C LEU A 52 -12.917 3.151 -0.434 1.00 0.00 C ATOM 834 O LEU A 52 -12.789 2.971 -1.648 1.00 0.00 O ATOM 835 CB LEU A 52 -11.092 4.220 0.900 1.00 0.00 C ATOM 836 CG LEU A 52 -10.433 5.472 1.479 1.00 0.00 C ATOM 837 CD1 LEU A 52 -9.123 5.113 2.164 1.00 0.00 C ATOM 838 CD2 LEU A 52 -10.201 6.505 0.387 1.00 0.00 C ATOM 0 H LEU A 52 -13.075 5.056 2.117 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.322 5.200 -0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.230 3.497 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.408 3.770 0.181 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.103 5.904 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.666 6.015 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.316 4.408 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.447 4.659 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.731 7.390 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.550 6.084 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.156 6.782 -0.060 1.00 0.00 H new ATOM 850 N GLU A 53 -13.467 2.259 0.385 1.00 0.00 N ATOM 851 CA GLU A 53 -14.041 1.007 -0.095 1.00 0.00 C ATOM 852 C GLU A 53 -15.065 1.279 -1.188 1.00 0.00 C ATOM 853 O GLU A 53 -15.008 0.701 -2.272 1.00 0.00 O ATOM 854 CB GLU A 53 -14.716 0.266 1.059 1.00 0.00 C ATOM 855 CG GLU A 53 -15.432 -1.006 0.636 1.00 0.00 C ATOM 856 CD GLU A 53 -16.321 -1.562 1.727 1.00 0.00 C ATOM 857 OE1 GLU A 53 -15.814 -2.295 2.599 1.00 0.00 O ATOM 858 OE2 GLU A 53 -17.534 -1.256 1.719 1.00 0.00 O ATOM 0 H GLU A 53 -13.527 2.383 1.396 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.239 0.392 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.964 0.017 1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.433 0.933 1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.034 -0.803 -0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.694 -1.758 0.355 1.00 0.00 H new ATOM 865 N SER A 54 -15.989 2.180 -0.886 1.00 0.00 N ATOM 866 CA SER A 54 -17.047 2.548 -1.812 1.00 0.00 C ATOM 867 C SER A 54 -16.463 3.110 -3.105 1.00 0.00 C ATOM 868 O SER A 54 -16.957 2.822 -4.198 1.00 0.00 O ATOM 869 CB SER A 54 -17.974 3.578 -1.155 1.00 0.00 C ATOM 870 OG SER A 54 -19.043 3.947 -2.012 1.00 0.00 O ATOM 0 H SER A 54 -16.025 2.674 0.005 1.00 0.00 H new ATOM 0 HA SER A 54 -17.621 1.655 -2.060 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.376 3.167 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.400 4.465 -0.887 1.00 0.00 H new ATOM 0 HG SER A 54 -19.613 4.603 -1.560 1.00 0.00 H new ATOM 876 N GLN A 55 -15.398 3.896 -2.975 1.00 0.00 N ATOM 877 CA GLN A 55 -14.775 4.530 -4.129 1.00 0.00 C ATOM 878 C GLN A 55 -14.206 3.486 -5.083 1.00 0.00 C ATOM 879 O GLN A 55 -14.561 3.454 -6.260 1.00 0.00 O ATOM 880 CB GLN A 55 -13.666 5.495 -3.698 1.00 0.00 C ATOM 881 CG GLN A 55 -14.126 6.591 -2.748 1.00 0.00 C ATOM 882 CD GLN A 55 -15.393 7.285 -3.206 1.00 0.00 C ATOM 883 OE1 GLN A 55 -15.349 8.247 -3.967 1.00 0.00 O ATOM 884 NE2 GLN A 55 -16.533 6.817 -2.721 1.00 0.00 N ATOM 0 H GLN A 55 -14.950 4.108 -2.083 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.549 5.097 -4.647 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.870 4.925 -3.219 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.236 5.957 -4.587 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -14.292 6.161 -1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.332 7.330 -2.644 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -16.528 6.015 -2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -17.416 7.259 -2.978 1.00 0.00 H new ATOM 893 N VAL A 56 -13.343 2.619 -4.571 1.00 0.00 N ATOM 894 CA VAL A 56 -12.688 1.624 -5.409 1.00 0.00 C ATOM 895 C VAL A 56 -13.706 0.608 -5.935 1.00 0.00 C ATOM 896 O VAL A 56 -13.604 0.142 -7.068 1.00 0.00 O ATOM 897 CB VAL A 56 -11.538 0.908 -4.653 1.00 0.00 C ATOM 898 CG1 VAL A 56 -12.068 0.006 -3.551 1.00 0.00 C ATOM 899 CG2 VAL A 56 -10.663 0.127 -5.618 1.00 0.00 C ATOM 0 H VAL A 56 -13.081 2.584 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.247 2.146 -6.258 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.927 1.677 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.233 -0.478 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.632 0.601 -2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.719 -0.753 -3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.863 -0.367 -5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.266 -0.622 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.231 0.809 -6.351 1.00 0.00 H new ATOM 909 N ARG A 57 -14.714 0.313 -5.118 1.00 0.00 N ATOM 910 CA ARG A 57 -15.775 -0.614 -5.492 1.00 0.00 C ATOM 911 C ARG A 57 -16.501 -0.139 -6.747 1.00 0.00 C ATOM 912 O ARG A 57 -16.709 -0.904 -7.691 1.00 0.00 O ATOM 913 CB ARG A 57 -16.766 -0.752 -4.336 1.00 0.00 C ATOM 914 CG ARG A 57 -17.959 -1.642 -4.637 1.00 0.00 C ATOM 915 CD ARG A 57 -18.889 -1.736 -3.440 1.00 0.00 C ATOM 916 NE ARG A 57 -20.078 -2.532 -3.735 1.00 0.00 N ATOM 917 CZ ARG A 57 -20.677 -3.328 -2.856 1.00 0.00 C ATOM 918 NH1 ARG A 57 -20.203 -3.443 -1.620 1.00 0.00 N ATOM 919 NH2 ARG A 57 -21.762 -4.000 -3.218 1.00 0.00 N ATOM 0 H ARG A 57 -14.817 0.708 -4.183 1.00 0.00 H new ATOM 0 HA ARG A 57 -15.327 -1.584 -5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -16.240 -1.150 -3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -17.127 0.239 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -18.504 -1.247 -5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -17.613 -2.639 -4.911 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -18.355 -2.179 -2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -19.190 -0.734 -3.134 1.00 0.00 H new ATOM 0 HE ARG A 57 -20.473 -2.473 -4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -19.374 -2.918 -1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -20.668 -4.056 -0.950 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -22.130 -3.903 -4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -22.229 -4.613 -2.550 1.00 0.00 H new ATOM 933 N ASN A 58 -16.871 1.131 -6.761 1.00 0.00 N ATOM 934 CA ASN A 58 -17.619 1.695 -7.879 1.00 0.00 C ATOM 935 C ASN A 58 -16.689 2.087 -9.020 1.00 0.00 C ATOM 936 O ASN A 58 -17.138 2.447 -10.107 1.00 0.00 O ATOM 937 CB ASN A 58 -18.444 2.897 -7.413 1.00 0.00 C ATOM 938 CG ASN A 58 -19.624 2.487 -6.547 1.00 0.00 C ATOM 939 OD1 ASN A 58 -19.604 1.440 -5.896 1.00 0.00 O ATOM 940 ND2 ASN A 58 -20.660 3.308 -6.523 1.00 0.00 N ATOM 0 H ASN A 58 -16.667 1.793 -6.012 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.300 0.931 -8.254 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.804 3.578 -6.852 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.807 3.444 -8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -21.476 3.083 -5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.643 4.166 -7.074 1.00 0.00 H new ATOM 947 N GLY A 59 -15.390 1.993 -8.775 1.00 0.00 N ATOM 948 CA GLY A 59 -14.415 2.302 -9.802 1.00 0.00 C ATOM 949 C GLY A 59 -14.099 3.778 -9.875 1.00 0.00 C ATOM 950 O GLY A 59 -13.805 4.307 -10.947 1.00 0.00 O ATOM 0 H GLY A 59 -14.992 1.707 -7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.498 1.747 -9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.791 1.966 -10.768 1.00 0.00 H new ATOM 954 N ASP A 60 -14.173 4.446 -8.734 1.00 0.00 N ATOM 955 CA ASP A 60 -13.841 5.861 -8.651 1.00 0.00 C ATOM 956 C ASP A 60 -12.329 6.036 -8.661 1.00 0.00 C ATOM 957 O ASP A 60 -11.792 6.930 -9.320 1.00 0.00 O ATOM 958 CB ASP A 60 -14.429 6.469 -7.375 1.00 0.00 C ATOM 959 CG ASP A 60 -14.243 7.970 -7.302 1.00 0.00 C ATOM 960 OD1 ASP A 60 -15.124 8.701 -7.803 1.00 0.00 O ATOM 961 OD2 ASP A 60 -13.224 8.425 -6.742 1.00 0.00 O ATOM 0 H ASP A 60 -14.461 4.029 -7.849 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.267 6.375 -9.512 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -15.493 6.236 -7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.959 6.006 -6.507 1.00 0.00 H new ATOM 966 N ILE A 61 -11.649 5.160 -7.934 1.00 0.00 N ATOM 967 CA ILE A 61 -10.198 5.169 -7.865 1.00 0.00 C ATOM 968 C ILE A 61 -9.645 3.824 -8.315 1.00 0.00 C ATOM 969 O ILE A 61 -10.370 2.829 -8.350 1.00 0.00 O ATOM 970 CB ILE A 61 -9.687 5.476 -6.439 1.00 0.00 C ATOM 971 CG1 ILE A 61 -10.231 4.450 -5.440 1.00 0.00 C ATOM 972 CG2 ILE A 61 -10.080 6.888 -6.028 1.00 0.00 C ATOM 973 CD1 ILE A 61 -9.675 4.609 -4.041 1.00 0.00 C ATOM 0 H ILE A 61 -12.088 4.426 -7.378 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.849 5.960 -8.528 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.599 5.408 -6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -11.317 4.534 -5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -10.001 3.447 -5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.713 7.089 -5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.643 7.604 -6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.166 6.983 -6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.106 3.848 -3.390 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.591 4.495 -4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.927 5.598 -3.659 1.00 0.00 H new ATOM 985 N SER A 62 -8.371 3.804 -8.667 1.00 0.00 N ATOM 986 CA SER A 62 -7.718 2.579 -9.098 1.00 0.00 C ATOM 987 C SER A 62 -7.301 1.745 -7.884 1.00 0.00 C ATOM 988 O SER A 62 -7.186 2.273 -6.775 1.00 0.00 O ATOM 989 CB SER A 62 -6.501 2.919 -9.961 1.00 0.00 C ATOM 990 OG SER A 62 -5.902 1.754 -10.494 1.00 0.00 O ATOM 0 H SER A 62 -7.766 4.625 -8.663 1.00 0.00 H new ATOM 0 HA SER A 62 -8.417 1.991 -9.692 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.803 3.579 -10.774 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.771 3.464 -9.363 1.00 0.00 H new ATOM 0 HG SER A 62 -6.212 1.618 -11.414 1.00 0.00 H new ATOM 996 N MET A 63 -7.065 0.452 -8.099 1.00 0.00 N ATOM 997 CA MET A 63 -6.714 -0.458 -7.013 1.00 0.00 C ATOM 998 C MET A 63 -5.364 -0.078 -6.413 1.00 0.00 C ATOM 999 O MET A 63 -5.165 -0.157 -5.199 1.00 0.00 O ATOM 1000 CB MET A 63 -6.682 -1.906 -7.510 1.00 0.00 C ATOM 1001 CG MET A 63 -6.586 -2.919 -6.383 1.00 0.00 C ATOM 1002 SD MET A 63 -7.973 -2.787 -5.243 1.00 0.00 S ATOM 1003 CE MET A 63 -7.472 -3.929 -3.966 1.00 0.00 C ATOM 0 H MET A 63 -7.111 0.011 -9.018 1.00 0.00 H new ATOM 0 HA MET A 63 -7.477 -0.374 -6.239 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.581 -2.104 -8.093 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.832 -2.035 -8.181 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.554 -3.925 -6.801 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.653 -2.770 -5.839 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.206 -3.918 -3.160 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.405 -4.934 -4.382 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.499 -3.633 -3.575 1.00 0.00 H new ATOM 1013 N LYS A 64 -4.445 0.348 -7.272 1.00 0.00 N ATOM 1014 CA LYS A 64 -3.137 0.822 -6.830 1.00 0.00 C ATOM 1015 C LYS A 64 -3.293 2.009 -5.879 1.00 0.00 C ATOM 1016 O LYS A 64 -2.571 2.128 -4.886 1.00 0.00 O ATOM 1017 CB LYS A 64 -2.281 1.188 -8.055 1.00 0.00 C ATOM 1018 CG LYS A 64 -0.987 1.933 -7.744 1.00 0.00 C ATOM 1019 CD LYS A 64 -1.175 3.438 -7.864 1.00 0.00 C ATOM 1020 CE LYS A 64 0.125 4.198 -7.661 1.00 0.00 C ATOM 1021 NZ LYS A 64 -0.070 5.660 -7.840 1.00 0.00 N ATOM 0 H LYS A 64 -4.582 0.375 -8.282 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.629 0.029 -6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.034 0.272 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.881 1.800 -8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.655 1.685 -6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.203 1.606 -8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.582 3.674 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.907 3.771 -7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.512 4.000 -6.661 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.873 3.839 -8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.751 6.169 -7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.167 5.876 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.930 5.959 -7.338 1.00 0.00 H new ATOM 1035 N GLU A 65 -4.261 2.867 -6.171 1.00 0.00 N ATOM 1036 CA GLU A 65 -4.538 4.016 -5.323 1.00 0.00 C ATOM 1037 C GLU A 65 -5.223 3.594 -4.036 1.00 0.00 C ATOM 1038 O GLU A 65 -4.998 4.190 -2.983 1.00 0.00 O ATOM 1039 CB GLU A 65 -5.387 5.049 -6.059 1.00 0.00 C ATOM 1040 CG GLU A 65 -4.558 5.981 -6.914 1.00 0.00 C ATOM 1041 CD GLU A 65 -3.418 6.583 -6.123 1.00 0.00 C ATOM 1042 OE1 GLU A 65 -3.686 7.247 -5.100 1.00 0.00 O ATOM 1043 OE2 GLU A 65 -2.247 6.377 -6.502 1.00 0.00 O ATOM 0 H GLU A 65 -4.867 2.788 -6.988 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.582 4.474 -5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.114 4.535 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.951 5.634 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.161 5.436 -7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.191 6.777 -7.307 1.00 0.00 H new ATOM 1050 N PHE A 66 -6.055 2.568 -4.127 1.00 0.00 N ATOM 1051 CA PHE A 66 -6.720 2.023 -2.957 1.00 0.00 C ATOM 1052 C PHE A 66 -5.678 1.511 -1.962 1.00 0.00 C ATOM 1053 O PHE A 66 -5.734 1.829 -0.776 1.00 0.00 O ATOM 1054 CB PHE A 66 -7.674 0.899 -3.371 1.00 0.00 C ATOM 1055 CG PHE A 66 -8.550 0.389 -2.258 1.00 0.00 C ATOM 1056 CD1 PHE A 66 -9.309 1.265 -1.500 1.00 0.00 C ATOM 1057 CD2 PHE A 66 -8.625 -0.967 -1.986 1.00 0.00 C ATOM 1058 CE1 PHE A 66 -10.126 0.798 -0.487 1.00 0.00 C ATOM 1059 CE2 PHE A 66 -9.439 -1.442 -0.974 1.00 0.00 C ATOM 1060 CZ PHE A 66 -10.191 -0.557 -0.224 1.00 0.00 C ATOM 0 H PHE A 66 -6.285 2.096 -5.002 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.304 2.807 -2.476 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.308 1.257 -4.182 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.089 0.069 -3.767 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.262 2.325 -1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -8.041 -1.662 -2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -10.712 1.491 0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.487 -2.501 -0.770 1.00 0.00 H new ATOM 0 HZ PHE A 66 -10.829 -0.924 0.567 1.00 0.00 H new ATOM 1070 N VAL A 67 -4.711 0.748 -2.470 1.00 0.00 N ATOM 1071 CA VAL A 67 -3.621 0.230 -1.647 1.00 0.00 C ATOM 1072 C VAL A 67 -2.811 1.371 -1.029 1.00 0.00 C ATOM 1073 O VAL A 67 -2.552 1.376 0.178 1.00 0.00 O ATOM 1074 CB VAL A 67 -2.673 -0.683 -2.463 1.00 0.00 C ATOM 1075 CG1 VAL A 67 -1.508 -1.157 -1.603 1.00 0.00 C ATOM 1076 CG2 VAL A 67 -3.431 -1.873 -3.037 1.00 0.00 C ATOM 0 H VAL A 67 -4.661 0.475 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.078 -0.361 -0.853 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.272 -0.100 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.855 -1.797 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.945 -0.295 -1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.890 -1.719 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.746 -2.501 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.865 -2.455 -2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.226 -1.516 -3.692 1.00 0.00 H new ATOM 1086 N ARG A 68 -2.431 2.342 -1.860 1.00 0.00 N ATOM 1087 CA ARG A 68 -1.628 3.474 -1.402 1.00 0.00 C ATOM 1088 C ARG A 68 -2.361 4.244 -0.312 1.00 0.00 C ATOM 1089 O ARG A 68 -1.771 4.626 0.699 1.00 0.00 O ATOM 1090 CB ARG A 68 -1.301 4.422 -2.565 1.00 0.00 C ATOM 1091 CG ARG A 68 -0.289 5.502 -2.194 1.00 0.00 C ATOM 1092 CD ARG A 68 -0.837 6.910 -2.389 1.00 0.00 C ATOM 1093 NE ARG A 68 -1.072 7.229 -3.798 1.00 0.00 N ATOM 1094 CZ ARG A 68 -0.381 8.143 -4.486 1.00 0.00 C ATOM 1095 NH1 ARG A 68 0.592 8.837 -3.909 1.00 0.00 N ATOM 1096 NH2 ARG A 68 -0.671 8.363 -5.758 1.00 0.00 N ATOM 0 H ARG A 68 -2.666 2.367 -2.852 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.697 3.077 -0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.912 3.840 -3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.220 4.897 -2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.009 5.373 -1.154 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.608 5.378 -2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.770 7.013 -1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.136 7.631 -1.968 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.810 6.721 -4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.821 8.676 -2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.111 9.531 -4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.419 7.836 -6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.147 9.059 -6.288 1.00 0.00 H new ATOM 1110 N ARG A 69 -3.651 4.451 -0.517 1.00 0.00 N ATOM 1111 CA ARG A 69 -4.446 5.251 0.391 1.00 0.00 C ATOM 1112 C ARG A 69 -4.659 4.518 1.714 1.00 0.00 C ATOM 1113 O ARG A 69 -4.574 5.124 2.780 1.00 0.00 O ATOM 1114 CB ARG A 69 -5.786 5.587 -0.260 1.00 0.00 C ATOM 1115 CG ARG A 69 -6.357 6.923 0.176 1.00 0.00 C ATOM 1116 CD ARG A 69 -5.411 8.070 -0.155 1.00 0.00 C ATOM 1117 NE ARG A 69 -5.054 8.112 -1.579 1.00 0.00 N ATOM 1118 CZ ARG A 69 -4.944 9.243 -2.283 1.00 0.00 C ATOM 1119 NH1 ARG A 69 -5.213 10.409 -1.712 1.00 0.00 N ATOM 1120 NH2 ARG A 69 -4.572 9.210 -3.560 1.00 0.00 N ATOM 0 H ARG A 69 -4.170 4.073 -1.310 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.913 6.177 0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.663 5.590 -1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.503 4.801 -0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.316 7.088 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.548 6.905 1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.877 9.014 0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.504 7.972 0.441 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.880 7.228 -2.058 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.504 10.443 -0.735 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.129 11.272 -2.250 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.368 8.317 -4.009 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.491 10.078 -4.090 1.00 0.00 H new ATOM 1134 N LEU A 70 -4.915 3.212 1.638 1.00 0.00 N ATOM 1135 CA LEU A 70 -5.128 2.400 2.836 1.00 0.00 C ATOM 1136 C LEU A 70 -3.903 2.415 3.740 1.00 0.00 C ATOM 1137 O LEU A 70 -4.011 2.658 4.942 1.00 0.00 O ATOM 1138 CB LEU A 70 -5.455 0.950 2.466 1.00 0.00 C ATOM 1139 CG LEU A 70 -6.826 0.719 1.831 1.00 0.00 C ATOM 1140 CD1 LEU A 70 -6.998 -0.750 1.482 1.00 0.00 C ATOM 1141 CD2 LEU A 70 -7.935 1.179 2.767 1.00 0.00 C ATOM 0 H LEU A 70 -4.980 2.695 0.761 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.972 2.837 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.691 0.589 1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.385 0.340 3.367 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.889 1.306 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.978 -0.904 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.222 -1.050 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.917 -1.351 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.903 1.006 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.880 0.618 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.818 2.242 2.975 1.00 0.00 H new ATOM 1153 N ALA A 71 -2.740 2.167 3.153 1.00 0.00 N ATOM 1154 CA ALA A 71 -1.504 2.082 3.915 1.00 0.00 C ATOM 1155 C ALA A 71 -1.074 3.451 4.437 1.00 0.00 C ATOM 1156 O ALA A 71 -0.379 3.551 5.447 1.00 0.00 O ATOM 1157 CB ALA A 71 -0.407 1.464 3.064 1.00 0.00 C ATOM 0 H ALA A 71 -2.628 2.021 2.150 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.683 1.443 4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.514 1.405 3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.706 0.462 2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.241 2.081 2.181 1.00 0.00 H new ATOM 1163 N LYS A 72 -1.504 4.503 3.753 1.00 0.00 N ATOM 1164 CA LYS A 72 -1.139 5.859 4.134 1.00 0.00 C ATOM 1165 C LYS A 72 -2.140 6.416 5.150 1.00 0.00 C ATOM 1166 O LYS A 72 -1.919 7.472 5.750 1.00 0.00 O ATOM 1167 CB LYS A 72 -1.074 6.750 2.891 1.00 0.00 C ATOM 1168 CG LYS A 72 -0.318 8.050 3.104 1.00 0.00 C ATOM 1169 CD LYS A 72 -0.211 8.846 1.814 1.00 0.00 C ATOM 1170 CE LYS A 72 0.624 10.099 2.005 1.00 0.00 C ATOM 1171 NZ LYS A 72 0.743 10.881 0.748 1.00 0.00 N ATOM 0 H LYS A 72 -2.106 4.442 2.932 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.155 5.843 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.600 6.194 2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.089 6.980 2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.825 8.648 3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.680 7.834 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.235 8.225 1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.208 9.120 1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.174 10.721 2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.618 9.823 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.651 11.388 0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.699 10.237 -0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.037 11.566 0.690 1.00 0.00 H new ATOM 1185 N SER A 73 -3.233 5.691 5.351 1.00 0.00 N ATOM 1186 CA SER A 73 -4.244 6.086 6.319 1.00 0.00 C ATOM 1187 C SER A 73 -3.721 5.916 7.743 1.00 0.00 C ATOM 1188 O SER A 73 -2.958 4.989 8.027 1.00 0.00 O ATOM 1189 CB SER A 73 -5.518 5.262 6.127 1.00 0.00 C ATOM 1190 OG SER A 73 -6.132 5.552 4.885 1.00 0.00 O ATOM 0 H SER A 73 -3.441 4.825 4.855 1.00 0.00 H new ATOM 0 HA SER A 73 -4.478 7.138 6.157 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.279 4.200 6.178 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.215 5.471 6.938 1.00 0.00 H new ATOM 0 HG SER A 73 -5.456 5.543 4.176 1.00 0.00 H new ATOM 1196 N PRO A 74 -4.125 6.818 8.658 1.00 0.00 N ATOM 1197 CA PRO A 74 -3.713 6.772 10.069 1.00 0.00 C ATOM 1198 C PRO A 74 -4.036 5.432 10.719 1.00 0.00 C ATOM 1199 O PRO A 74 -3.335 4.986 11.619 1.00 0.00 O ATOM 1200 CB PRO A 74 -4.525 7.897 10.729 1.00 0.00 C ATOM 1201 CG PRO A 74 -5.592 8.249 9.746 1.00 0.00 C ATOM 1202 CD PRO A 74 -5.015 7.958 8.392 1.00 0.00 C ATOM 0 HA PRO A 74 -2.635 6.894 10.178 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.956 7.567 11.674 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.895 8.759 10.949 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.494 7.662 9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.873 9.298 9.834 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.789 7.707 7.667 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.470 8.813 7.992 1.00 0.00 H new ATOM 1210 N LEU A 75 -5.100 4.801 10.239 1.00 0.00 N ATOM 1211 CA LEU A 75 -5.523 3.492 10.723 1.00 0.00 C ATOM 1212 C LEU A 75 -4.384 2.473 10.618 1.00 0.00 C ATOM 1213 O LEU A 75 -4.010 1.851 11.607 1.00 0.00 O ATOM 1214 CB LEU A 75 -6.749 3.037 9.919 1.00 0.00 C ATOM 1215 CG LEU A 75 -7.248 1.609 10.169 1.00 0.00 C ATOM 1216 CD1 LEU A 75 -7.527 1.354 11.645 1.00 0.00 C ATOM 1217 CD2 LEU A 75 -8.499 1.352 9.343 1.00 0.00 C ATOM 0 H LEU A 75 -5.695 5.182 9.503 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.791 3.565 11.777 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.568 3.725 10.130 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.515 3.135 8.859 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.460 0.920 9.865 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.878 0.331 11.777 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.612 1.501 12.219 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.291 2.048 11.996 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.851 0.336 9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.276 2.061 9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.268 1.474 8.285 1.00 0.00 H new ATOM 1229 N TYR A 76 -3.808 2.344 9.428 1.00 0.00 N ATOM 1230 CA TYR A 76 -2.741 1.375 9.198 1.00 0.00 C ATOM 1231 C TYR A 76 -1.457 1.812 9.899 1.00 0.00 C ATOM 1232 O TYR A 76 -0.696 0.985 10.401 1.00 0.00 O ATOM 1233 CB TYR A 76 -2.494 1.218 7.695 1.00 0.00 C ATOM 1234 CG TYR A 76 -1.622 0.034 7.339 1.00 0.00 C ATOM 1235 CD1 TYR A 76 -2.036 -1.257 7.627 1.00 0.00 C ATOM 1236 CD2 TYR A 76 -0.397 0.205 6.708 1.00 0.00 C ATOM 1237 CE1 TYR A 76 -1.257 -2.345 7.299 1.00 0.00 C ATOM 1238 CE2 TYR A 76 0.389 -0.883 6.371 1.00 0.00 C ATOM 1239 CZ TYR A 76 -0.049 -2.156 6.670 1.00 0.00 C ATOM 1240 OH TYR A 76 0.717 -3.249 6.331 1.00 0.00 O ATOM 0 H TYR A 76 -4.061 2.897 8.609 1.00 0.00 H new ATOM 0 HA TYR A 76 -3.048 0.414 9.611 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.453 1.116 7.187 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -2.028 2.127 7.316 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.986 -1.413 8.117 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.052 1.202 6.477 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.594 -3.343 7.535 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.338 -0.736 5.878 1.00 0.00 H new ATOM 0 HH TYR A 76 0.141 -3.950 5.960 1.00 0.00 H new ATOM 1250 N ARG A 77 -1.240 3.119 9.944 1.00 0.00 N ATOM 1251 CA ARG A 77 -0.051 3.692 10.567 1.00 0.00 C ATOM 1252 C ARG A 77 -0.086 3.520 12.088 1.00 0.00 C ATOM 1253 O ARG A 77 0.955 3.469 12.744 1.00 0.00 O ATOM 1254 CB ARG A 77 0.057 5.167 10.184 1.00 0.00 C ATOM 1255 CG ARG A 77 0.429 5.373 8.721 1.00 0.00 C ATOM 1256 CD ARG A 77 -0.079 6.699 8.185 1.00 0.00 C ATOM 1257 NE ARG A 77 0.313 7.832 9.016 1.00 0.00 N ATOM 1258 CZ ARG A 77 -0.343 8.987 9.041 1.00 0.00 C ATOM 1259 NH1 ARG A 77 -1.406 9.167 8.266 1.00 0.00 N ATOM 1260 NH2 ARG A 77 0.069 9.966 9.835 1.00 0.00 N ATOM 0 H ARG A 77 -1.879 3.811 9.552 1.00 0.00 H new ATOM 0 HA ARG A 77 0.830 3.163 10.204 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.894 5.660 10.385 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.805 5.647 10.815 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.513 5.330 8.613 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.017 4.559 8.124 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.301 6.847 7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.166 6.665 8.115 1.00 0.00 H new ATOM 0 HE ARG A 77 1.136 7.732 9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.721 8.418 7.650 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.908 10.055 8.287 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.889 9.832 10.426 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.434 10.853 9.854 1.00 0.00 H new ATOM 1274 N LYS A 78 -1.285 3.415 12.638 1.00 0.00 N ATOM 1275 CA LYS A 78 -1.458 3.151 14.060 1.00 0.00 C ATOM 1276 C LYS A 78 -1.205 1.683 14.375 1.00 0.00 C ATOM 1277 O LYS A 78 -1.092 1.296 15.538 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.870 3.542 14.509 1.00 0.00 C ATOM 1279 CG LYS A 78 -3.047 5.033 14.748 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.232 5.502 15.944 1.00 0.00 C ATOM 1281 CE LYS A 78 -2.634 4.770 17.216 1.00 0.00 C ATOM 1282 NZ LYS A 78 -4.038 5.059 17.608 1.00 0.00 N ATOM 0 H LYS A 78 -2.158 3.509 12.119 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.731 3.754 14.604 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.585 3.217 13.753 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.111 3.005 15.427 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.742 5.585 13.859 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.101 5.254 14.914 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.172 5.339 15.749 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.370 6.574 16.081 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.513 3.697 17.070 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.965 5.059 18.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.232 4.637 18.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.180 6.088 17.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.686 4.654 16.902 1.00 0.00 H new ATOM 1296 N GLN A 79 -1.118 0.872 13.333 1.00 0.00 N ATOM 1297 CA GLN A 79 -0.916 -0.558 13.492 1.00 0.00 C ATOM 1298 C GLN A 79 0.521 -0.940 13.155 1.00 0.00 C ATOM 1299 O GLN A 79 1.256 -1.437 14.003 1.00 0.00 O ATOM 1300 CB GLN A 79 -1.883 -1.326 12.591 1.00 0.00 C ATOM 1301 CG GLN A 79 -3.344 -0.980 12.831 1.00 0.00 C ATOM 1302 CD GLN A 79 -4.265 -1.576 11.786 1.00 0.00 C ATOM 1303 OE1 GLN A 79 -5.305 -1.014 11.467 1.00 0.00 O ATOM 1304 NE2 GLN A 79 -3.889 -2.725 11.246 1.00 0.00 N ATOM 0 H GLN A 79 -1.185 1.182 12.364 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.109 -0.820 14.532 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.636 -1.121 11.549 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.741 -2.395 12.748 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.641 -1.337 13.817 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.460 0.104 12.836 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.015 -3.164 11.537 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.473 -3.171 10.539 1.00 0.00 H new ATOM 1313 N PHE A 80 0.925 -0.686 11.920 1.00 0.00 N ATOM 1314 CA PHE A 80 2.246 -1.086 11.452 1.00 0.00 C ATOM 1315 C PHE A 80 3.251 0.051 11.569 1.00 0.00 C ATOM 1316 O PHE A 80 3.788 0.518 10.566 1.00 0.00 O ATOM 1317 CB PHE A 80 2.173 -1.578 10.008 1.00 0.00 C ATOM 1318 CG PHE A 80 1.741 -3.009 9.886 1.00 0.00 C ATOM 1319 CD1 PHE A 80 0.477 -3.407 10.293 1.00 0.00 C ATOM 1320 CD2 PHE A 80 2.605 -3.960 9.370 1.00 0.00 C ATOM 1321 CE1 PHE A 80 0.086 -4.725 10.186 1.00 0.00 C ATOM 1322 CE2 PHE A 80 2.219 -5.279 9.261 1.00 0.00 C ATOM 1323 CZ PHE A 80 0.958 -5.662 9.671 1.00 0.00 C ATOM 0 H PHE A 80 0.358 -0.205 11.222 1.00 0.00 H new ATOM 0 HA PHE A 80 2.588 -1.901 12.090 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.478 -0.948 9.452 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.152 -1.461 9.542 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.209 -2.677 10.698 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.593 -3.665 9.049 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.902 -5.023 10.505 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.902 -6.011 8.856 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.654 -6.695 9.589 1.00 0.00 H new ATOM 1333 N PHE A 81 3.496 0.489 12.799 1.00 0.00 N ATOM 1334 CA PHE A 81 4.467 1.546 13.057 1.00 0.00 C ATOM 1335 C PHE A 81 4.578 1.827 14.547 1.00 0.00 C ATOM 1336 O PHE A 81 5.619 1.601 15.154 1.00 0.00 O ATOM 1337 CB PHE A 81 4.077 2.835 12.327 1.00 0.00 C ATOM 1338 CG PHE A 81 5.105 3.927 12.430 1.00 0.00 C ATOM 1339 CD1 PHE A 81 6.273 3.866 11.688 1.00 0.00 C ATOM 1340 CD2 PHE A 81 4.904 5.011 13.269 1.00 0.00 C ATOM 1341 CE1 PHE A 81 7.221 4.865 11.781 1.00 0.00 C ATOM 1342 CE2 PHE A 81 5.852 6.013 13.366 1.00 0.00 C ATOM 1343 CZ PHE A 81 7.012 5.940 12.621 1.00 0.00 C ATOM 0 H PHE A 81 3.035 0.128 13.634 1.00 0.00 H new ATOM 0 HA PHE A 81 5.432 1.203 12.685 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.906 2.608 11.275 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.133 3.199 12.732 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.444 3.027 11.029 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.998 5.074 13.853 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.127 4.805 11.196 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.685 6.853 14.024 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.754 6.722 12.695 1.00 0.00 H new ATOM 1353 N GLU A 82 3.489 2.310 15.129 1.00 0.00 N ATOM 1354 CA GLU A 82 3.493 2.769 16.512 1.00 0.00 C ATOM 1355 C GLU A 82 3.702 1.623 17.521 1.00 0.00 C ATOM 1356 O GLU A 82 4.537 1.746 18.417 1.00 0.00 O ATOM 1357 CB GLU A 82 2.207 3.548 16.807 1.00 0.00 C ATOM 1358 CG GLU A 82 2.236 4.302 18.123 1.00 0.00 C ATOM 1359 CD GLU A 82 1.232 5.433 18.156 1.00 0.00 C ATOM 1360 OE1 GLU A 82 1.585 6.556 17.731 1.00 0.00 O ATOM 1361 OE2 GLU A 82 0.094 5.212 18.605 1.00 0.00 O ATOM 0 H GLU A 82 2.586 2.395 14.662 1.00 0.00 H new ATOM 0 HA GLU A 82 4.347 3.434 16.635 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.028 4.256 15.997 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.367 2.854 16.815 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.029 3.611 18.940 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.236 4.702 18.289 1.00 0.00 H new ATOM 1368 N PRO A 83 2.961 0.495 17.416 1.00 0.00 N ATOM 1369 CA PRO A 83 3.161 -0.661 18.303 1.00 0.00 C ATOM 1370 C PRO A 83 4.403 -1.478 17.934 1.00 0.00 C ATOM 1371 O PRO A 83 4.615 -2.578 18.454 1.00 0.00 O ATOM 1372 CB PRO A 83 1.893 -1.508 18.104 1.00 0.00 C ATOM 1373 CG PRO A 83 0.975 -0.677 17.270 1.00 0.00 C ATOM 1374 CD PRO A 83 1.856 0.249 16.486 1.00 0.00 C ATOM 0 HA PRO A 83 3.320 -0.345 19.334 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.126 -2.450 17.608 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.434 -1.756 19.061 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.377 -1.302 16.607 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.279 -0.118 17.895 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.200 -0.207 15.558 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.339 1.170 16.216 1.00 0.00 H new ATOM 1382 N PHE A 84 5.222 -0.941 17.040 1.00 0.00 N ATOM 1383 CA PHE A 84 6.445 -1.608 16.620 1.00 0.00 C ATOM 1384 C PHE A 84 7.618 -0.643 16.706 1.00 0.00 C ATOM 1385 O PHE A 84 7.443 0.528 17.038 1.00 0.00 O ATOM 1386 CB PHE A 84 6.319 -2.136 15.184 1.00 0.00 C ATOM 1387 CG PHE A 84 5.241 -3.167 15.001 1.00 0.00 C ATOM 1388 CD1 PHE A 84 5.331 -4.398 15.627 1.00 0.00 C ATOM 1389 CD2 PHE A 84 4.143 -2.908 14.197 1.00 0.00 C ATOM 1390 CE1 PHE A 84 4.348 -5.353 15.455 1.00 0.00 C ATOM 1391 CE2 PHE A 84 3.155 -3.859 14.022 1.00 0.00 C ATOM 1392 CZ PHE A 84 3.257 -5.083 14.653 1.00 0.00 C ATOM 0 H PHE A 84 5.059 -0.040 16.590 1.00 0.00 H new ATOM 0 HA PHE A 84 6.616 -2.453 17.286 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.122 -1.297 14.516 1.00 0.00 H new ATOM 0 HB3 PHE A 84 7.274 -2.567 14.882 1.00 0.00 H new ATOM 0 HD1 PHE A 84 6.180 -4.615 16.258 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.058 -1.952 13.701 1.00 0.00 H new ATOM 0 HE1 PHE A 84 4.433 -6.310 15.948 1.00 0.00 H new ATOM 0 HE2 PHE A 84 2.304 -3.645 13.392 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.486 -5.827 14.520 1.00 0.00 H new ATOM 1402 N ILE A 85 8.812 -1.139 16.427 1.00 0.00 N ATOM 1403 CA ILE A 85 9.974 -0.275 16.325 1.00 0.00 C ATOM 1404 C ILE A 85 10.120 0.210 14.888 1.00 0.00 C ATOM 1405 O ILE A 85 9.732 -0.492 13.951 1.00 0.00 O ATOM 1406 CB ILE A 85 11.270 -0.982 16.780 1.00 0.00 C ATOM 1407 CG1 ILE A 85 11.496 -2.271 15.983 1.00 0.00 C ATOM 1408 CG2 ILE A 85 11.217 -1.268 18.276 1.00 0.00 C ATOM 1409 CD1 ILE A 85 12.792 -2.975 16.325 1.00 0.00 C ATOM 0 H ILE A 85 9.001 -2.129 16.268 1.00 0.00 H new ATOM 0 HA ILE A 85 9.819 0.573 16.992 1.00 0.00 H new ATOM 0 HB ILE A 85 12.113 -0.319 16.586 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.664 -2.951 16.164 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.490 -2.036 14.919 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.136 -1.766 18.584 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.112 -0.331 18.822 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.365 -1.912 18.493 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.885 -3.879 15.723 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.632 -2.312 16.117 1.00 0.00 H new ATOM 0 HD13 ILE A 85 12.793 -3.242 17.382 1.00 0.00 H new ATOM 1421 N ASN A 86 10.675 1.403 14.723 1.00 0.00 N ATOM 1422 CA ASN A 86 10.789 2.033 13.407 1.00 0.00 C ATOM 1423 C ASN A 86 11.563 1.147 12.434 1.00 0.00 C ATOM 1424 O ASN A 86 11.194 1.029 11.266 1.00 0.00 O ATOM 1425 CB ASN A 86 11.472 3.398 13.531 1.00 0.00 C ATOM 1426 CG ASN A 86 11.554 4.137 12.207 1.00 0.00 C ATOM 1427 OD1 ASN A 86 12.525 4.008 11.468 1.00 0.00 O ATOM 1428 ND2 ASN A 86 10.532 4.922 11.904 1.00 0.00 N ATOM 0 H ASN A 86 11.057 1.960 15.487 1.00 0.00 H new ATOM 0 HA ASN A 86 9.782 2.170 13.013 1.00 0.00 H new ATOM 0 HB2 ASN A 86 10.925 4.009 14.250 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.478 3.261 13.929 1.00 0.00 H new ATOM 0 HD21 ASN A 86 10.534 5.446 11.029 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.743 5.002 12.545 1.00 0.00 H new ATOM 1435 N SER A 87 12.614 0.507 12.935 1.00 0.00 N ATOM 1436 CA SER A 87 13.458 -0.361 12.120 1.00 0.00 C ATOM 1437 C SER A 87 12.645 -1.498 11.493 1.00 0.00 C ATOM 1438 O SER A 87 12.848 -1.851 10.331 1.00 0.00 O ATOM 1439 CB SER A 87 14.597 -0.932 12.973 1.00 0.00 C ATOM 1440 OG SER A 87 15.493 -1.713 12.196 1.00 0.00 O ATOM 0 H SER A 87 12.904 0.574 13.911 1.00 0.00 H new ATOM 0 HA SER A 87 13.878 0.236 11.310 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.142 -0.115 13.446 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.181 -1.544 13.774 1.00 0.00 H new ATOM 0 HG SER A 87 16.207 -2.060 12.770 1.00 0.00 H new ATOM 1446 N ARG A 88 11.707 -2.059 12.252 1.00 0.00 N ATOM 1447 CA ARG A 88 10.929 -3.184 11.755 1.00 0.00 C ATOM 1448 C ARG A 88 9.711 -2.699 10.981 1.00 0.00 C ATOM 1449 O ARG A 88 9.275 -3.350 10.033 1.00 0.00 O ATOM 1450 CB ARG A 88 10.497 -4.112 12.892 1.00 0.00 C ATOM 1451 CG ARG A 88 10.003 -5.455 12.387 1.00 0.00 C ATOM 1452 CD ARG A 88 9.819 -6.459 13.509 1.00 0.00 C ATOM 1453 NE ARG A 88 10.000 -7.827 13.027 1.00 0.00 N ATOM 1454 CZ ARG A 88 9.539 -8.909 13.644 1.00 0.00 C ATOM 1455 NH1 ARG A 88 8.801 -8.799 14.740 1.00 0.00 N ATOM 1456 NH2 ARG A 88 9.813 -10.109 13.148 1.00 0.00 N ATOM 0 H ARG A 88 11.472 -1.758 13.198 1.00 0.00 H new ATOM 0 HA ARG A 88 11.570 -3.752 11.081 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.337 -4.268 13.569 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.707 -3.631 13.469 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.056 -5.319 11.865 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.713 -5.851 11.661 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.534 -6.253 14.306 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.823 -6.350 13.938 1.00 0.00 H new ATOM 0 HE ARG A 88 10.516 -7.960 12.157 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.582 -7.877 15.117 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.452 -9.637 15.206 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.373 -10.195 12.300 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.463 -10.946 13.615 1.00 0.00 H new ATOM 1470 N ALA A 89 9.166 -1.556 11.384 1.00 0.00 N ATOM 1471 CA ALA A 89 8.045 -0.956 10.668 1.00 0.00 C ATOM 1472 C ALA A 89 8.448 -0.657 9.231 1.00 0.00 C ATOM 1473 O ALA A 89 7.678 -0.877 8.295 1.00 0.00 O ATOM 1474 CB ALA A 89 7.582 0.311 11.371 1.00 0.00 C ATOM 0 H ALA A 89 9.480 -1.028 12.198 1.00 0.00 H new ATOM 0 HA ALA A 89 7.214 -1.661 10.658 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.745 0.746 10.824 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.266 0.069 12.386 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.403 1.027 11.408 1.00 0.00 H new ATOM 1480 N LEU A 90 9.677 -0.177 9.075 1.00 0.00 N ATOM 1481 CA LEU A 90 10.263 0.062 7.764 1.00 0.00 C ATOM 1482 C LEU A 90 10.251 -1.228 6.944 1.00 0.00 C ATOM 1483 O LEU A 90 9.811 -1.250 5.794 1.00 0.00 O ATOM 1484 CB LEU A 90 11.703 0.561 7.934 1.00 0.00 C ATOM 1485 CG LEU A 90 12.423 0.975 6.650 1.00 0.00 C ATOM 1486 CD1 LEU A 90 11.842 2.266 6.103 1.00 0.00 C ATOM 1487 CD2 LEU A 90 13.913 1.129 6.910 1.00 0.00 C ATOM 0 H LEU A 90 10.293 0.057 9.854 1.00 0.00 H new ATOM 0 HA LEU A 90 9.678 0.817 7.239 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.694 1.413 8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.285 -0.225 8.416 1.00 0.00 H new ATOM 0 HG LEU A 90 12.278 0.194 5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.368 2.543 5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.784 2.125 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.956 3.059 6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.415 1.424 5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.073 1.893 7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.322 0.180 7.258 1.00 0.00 H new ATOM 1499 N GLU A 91 10.713 -2.306 7.568 1.00 0.00 N ATOM 1500 CA GLU A 91 10.811 -3.605 6.915 1.00 0.00 C ATOM 1501 C GLU A 91 9.432 -4.146 6.529 1.00 0.00 C ATOM 1502 O GLU A 91 9.259 -4.714 5.449 1.00 0.00 O ATOM 1503 CB GLU A 91 11.514 -4.595 7.842 1.00 0.00 C ATOM 1504 CG GLU A 91 11.798 -5.941 7.200 1.00 0.00 C ATOM 1505 CD GLU A 91 12.355 -6.935 8.189 1.00 0.00 C ATOM 1506 OE1 GLU A 91 13.497 -6.749 8.649 1.00 0.00 O ATOM 1507 OE2 GLU A 91 11.648 -7.910 8.519 1.00 0.00 O ATOM 0 H GLU A 91 11.029 -2.304 8.538 1.00 0.00 H new ATOM 0 HA GLU A 91 11.390 -3.480 6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.454 -4.158 8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.898 -4.748 8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.879 -6.337 6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.505 -5.810 6.381 1.00 0.00 H new ATOM 1514 N LEU A 92 8.456 -3.968 7.413 1.00 0.00 N ATOM 1515 CA LEU A 92 7.101 -4.467 7.180 1.00 0.00 C ATOM 1516 C LEU A 92 6.491 -3.824 5.938 1.00 0.00 C ATOM 1517 O LEU A 92 5.779 -4.480 5.159 1.00 0.00 O ATOM 1518 CB LEU A 92 6.218 -4.202 8.403 1.00 0.00 C ATOM 1519 CG LEU A 92 6.648 -4.931 9.681 1.00 0.00 C ATOM 1520 CD1 LEU A 92 5.771 -4.525 10.855 1.00 0.00 C ATOM 1521 CD2 LEU A 92 6.602 -6.441 9.482 1.00 0.00 C ATOM 0 H LEU A 92 8.576 -3.481 8.301 1.00 0.00 H new ATOM 0 HA LEU A 92 7.158 -5.543 7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.208 -3.130 8.600 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.195 -4.492 8.164 1.00 0.00 H new ATOM 0 HG LEU A 92 7.676 -4.643 9.904 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.094 -5.055 11.751 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.856 -3.451 11.018 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.733 -4.778 10.639 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.911 -6.939 10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.586 -6.744 9.229 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.276 -6.722 8.673 1.00 0.00 H new ATOM 1533 N ALA A 93 6.784 -2.541 5.750 1.00 0.00 N ATOM 1534 CA ALA A 93 6.329 -1.817 4.576 1.00 0.00 C ATOM 1535 C ALA A 93 6.938 -2.415 3.313 1.00 0.00 C ATOM 1536 O ALA A 93 6.235 -2.678 2.337 1.00 0.00 O ATOM 1537 CB ALA A 93 6.682 -0.343 4.690 1.00 0.00 C ATOM 0 H ALA A 93 7.337 -1.983 6.400 1.00 0.00 H new ATOM 0 HA ALA A 93 5.245 -1.908 4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.334 0.184 3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.203 0.079 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.763 -0.233 4.776 1.00 0.00 H new ATOM 1543 N PHE A 94 8.247 -2.652 3.354 1.00 0.00 N ATOM 1544 CA PHE A 94 8.963 -3.241 2.227 1.00 0.00 C ATOM 1545 C PHE A 94 8.376 -4.594 1.836 1.00 0.00 C ATOM 1546 O PHE A 94 8.259 -4.906 0.651 1.00 0.00 O ATOM 1547 CB PHE A 94 10.450 -3.398 2.552 1.00 0.00 C ATOM 1548 CG PHE A 94 11.245 -2.135 2.381 1.00 0.00 C ATOM 1549 CD1 PHE A 94 11.529 -1.653 1.116 1.00 0.00 C ATOM 1550 CD2 PHE A 94 11.708 -1.433 3.480 1.00 0.00 C ATOM 1551 CE1 PHE A 94 12.259 -0.494 0.949 1.00 0.00 C ATOM 1552 CE2 PHE A 94 12.438 -0.273 3.321 1.00 0.00 C ATOM 1553 CZ PHE A 94 12.714 0.196 2.054 1.00 0.00 C ATOM 0 H PHE A 94 8.835 -2.444 4.161 1.00 0.00 H new ATOM 0 HA PHE A 94 8.851 -2.562 1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 94 10.553 -3.744 3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 94 10.873 -4.172 1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 94 11.175 -2.190 0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 94 11.495 -1.797 4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 94 12.474 -0.128 -0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 94 12.792 0.266 4.187 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.286 1.103 1.927 1.00 0.00 H new ATOM 1563 N ARG A 95 8.006 -5.388 2.840 1.00 0.00 N ATOM 1564 CA ARG A 95 7.427 -6.710 2.603 1.00 0.00 C ATOM 1565 C ARG A 95 6.154 -6.618 1.767 1.00 0.00 C ATOM 1566 O ARG A 95 5.997 -7.327 0.778 1.00 0.00 O ATOM 1567 CB ARG A 95 7.081 -7.410 3.920 1.00 0.00 C ATOM 1568 CG ARG A 95 8.264 -7.719 4.820 1.00 0.00 C ATOM 1569 CD ARG A 95 7.814 -8.540 6.019 1.00 0.00 C ATOM 1570 NE ARG A 95 8.869 -8.717 7.014 1.00 0.00 N ATOM 1571 CZ ARG A 95 8.840 -9.661 7.959 1.00 0.00 C ATOM 1572 NH1 ARG A 95 7.887 -10.580 7.962 1.00 0.00 N ATOM 1573 NH2 ARG A 95 9.779 -9.699 8.891 1.00 0.00 N ATOM 0 H ARG A 95 8.097 -5.139 3.825 1.00 0.00 H new ATOM 0 HA ARG A 95 8.181 -7.285 2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.379 -6.784 4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.565 -8.343 3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.023 -8.266 4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.725 -6.791 5.158 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.958 -8.053 6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.476 -9.518 5.677 1.00 0.00 H new ATOM 0 HE ARG A 95 9.670 -8.086 6.986 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.167 -10.571 7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.872 -11.297 8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.528 -9.006 8.889 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.754 -10.421 9.611 1.00 0.00 H new ATOM 1587 N HIS A 96 5.244 -5.742 2.178 1.00 0.00 N ATOM 1588 CA HIS A 96 3.915 -5.688 1.569 1.00 0.00 C ATOM 1589 C HIS A 96 3.871 -4.848 0.299 1.00 0.00 C ATOM 1590 O HIS A 96 3.148 -5.179 -0.636 1.00 0.00 O ATOM 1591 CB HIS A 96 2.891 -5.153 2.569 1.00 0.00 C ATOM 1592 CG HIS A 96 2.553 -6.134 3.642 1.00 0.00 C ATOM 1593 ND1 HIS A 96 3.099 -6.091 4.906 1.00 0.00 N ATOM 1594 CD2 HIS A 96 1.722 -7.201 3.626 1.00 0.00 C ATOM 1595 CE1 HIS A 96 2.616 -7.092 5.620 1.00 0.00 C ATOM 1596 NE2 HIS A 96 1.779 -7.778 4.864 1.00 0.00 N ATOM 0 H HIS A 96 5.398 -5.064 2.924 1.00 0.00 H new ATOM 0 HA HIS A 96 3.667 -6.712 1.288 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.280 -4.243 3.026 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.981 -4.878 2.036 1.00 0.00 H new ATOM 0 HD1 HIS A 96 3.769 -5.397 5.238 1.00 0.00 H new ATOM 0 HD2 HIS A 96 1.125 -7.535 2.791 1.00 0.00 H new ATOM 0 HE1 HIS A 96 2.864 -7.312 6.648 1.00 0.00 H new ATOM 0 HE2 HIS A 96 1.259 -8.605 5.156 1.00 0.00 H new ATOM 1605 N ILE A 97 4.627 -3.764 0.269 1.00 0.00 N ATOM 1606 CA ILE A 97 4.538 -2.822 -0.839 1.00 0.00 C ATOM 1607 C ILE A 97 5.392 -3.251 -2.030 1.00 0.00 C ATOM 1608 O ILE A 97 4.913 -3.289 -3.160 1.00 0.00 O ATOM 1609 CB ILE A 97 4.948 -1.399 -0.401 1.00 0.00 C ATOM 1610 CG1 ILE A 97 4.027 -0.904 0.723 1.00 0.00 C ATOM 1611 CG2 ILE A 97 4.904 -0.444 -1.588 1.00 0.00 C ATOM 1612 CD1 ILE A 97 4.418 0.447 1.287 1.00 0.00 C ATOM 0 H ILE A 97 5.304 -3.514 0.990 1.00 0.00 H new ATOM 0 HA ILE A 97 3.493 -2.815 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 97 5.970 -1.431 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.006 -0.847 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.028 -1.637 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.196 0.555 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.593 -0.790 -2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.892 -0.413 -1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.720 0.728 2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.426 0.392 1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.389 1.194 0.494 1.00 0.00 H new ATOM 1624 N LEU A 98 6.652 -3.575 -1.781 1.00 0.00 N ATOM 1625 CA LEU A 98 7.582 -3.828 -2.875 1.00 0.00 C ATOM 1626 C LEU A 98 7.989 -5.297 -2.961 1.00 0.00 C ATOM 1627 O LEU A 98 8.654 -5.699 -3.918 1.00 0.00 O ATOM 1628 CB LEU A 98 8.823 -2.948 -2.725 1.00 0.00 C ATOM 1629 CG LEU A 98 8.559 -1.440 -2.790 1.00 0.00 C ATOM 1630 CD1 LEU A 98 9.857 -0.665 -2.650 1.00 0.00 C ATOM 1631 CD2 LEU A 98 7.860 -1.076 -4.092 1.00 0.00 C ATOM 0 H LEU A 98 7.051 -3.668 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 98 7.066 -3.579 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.300 -3.177 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.534 -3.211 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 98 7.905 -1.170 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.650 0.404 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.321 -0.902 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.534 -0.940 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.681 -0.001 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.489 -1.361 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.909 -1.604 -4.154 1.00 0.00 H new ATOM 1643 N GLY A 99 7.596 -6.088 -1.964 1.00 0.00 N ATOM 1644 CA GLY A 99 7.949 -7.501 -1.945 1.00 0.00 C ATOM 1645 C GLY A 99 9.451 -7.719 -1.922 1.00 0.00 C ATOM 1646 O GLY A 99 9.977 -8.564 -2.648 1.00 0.00 O ATOM 0 H GLY A 99 7.039 -5.776 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.502 -7.973 -1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.526 -7.991 -2.822 1.00 0.00 H new ATOM 1650 N ARG A 100 10.138 -6.946 -1.096 1.00 0.00 N ATOM 1651 CA ARG A 100 11.588 -7.010 -1.006 1.00 0.00 C ATOM 1652 C ARG A 100 12.065 -6.429 0.317 1.00 0.00 C ATOM 1653 O ARG A 100 11.881 -5.242 0.579 1.00 0.00 O ATOM 1654 CB ARG A 100 12.224 -6.242 -2.171 1.00 0.00 C ATOM 1655 CG ARG A 100 13.717 -5.996 -2.014 1.00 0.00 C ATOM 1656 CD ARG A 100 14.234 -5.084 -3.114 1.00 0.00 C ATOM 1657 NE ARG A 100 15.589 -4.593 -2.855 1.00 0.00 N ATOM 1658 CZ ARG A 100 15.881 -3.302 -2.665 1.00 0.00 C ATOM 1659 NH1 ARG A 100 14.906 -2.407 -2.571 1.00 0.00 N ATOM 1660 NH2 ARG A 100 17.138 -2.906 -2.537 1.00 0.00 N ATOM 0 H ARG A 100 9.710 -6.261 -0.473 1.00 0.00 H new ATOM 0 HA ARG A 100 11.891 -8.056 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.054 -6.797 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.718 -5.282 -2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.915 -5.547 -1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.251 -6.946 -2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.223 -5.623 -4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.559 -4.235 -3.222 1.00 0.00 H new ATOM 0 HE ARG A 100 16.350 -5.271 -2.818 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.933 -2.704 -2.644 1.00 0.00 H new ATOM 0 HH12 ARG A 100 15.130 -1.422 -2.426 1.00 0.00 H new ATOM 0 HH21 ARG A 100 17.895 -3.588 -2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 100 17.349 -1.919 -2.392 1.00 0.00 H new ATOM 1674 N GLY A 101 12.652 -7.273 1.153 1.00 0.00 N ATOM 1675 CA GLY A 101 13.220 -6.800 2.397 1.00 0.00 C ATOM 1676 C GLY A 101 14.533 -6.081 2.171 1.00 0.00 C ATOM 1677 O GLY A 101 15.307 -6.472 1.295 1.00 0.00 O ATOM 0 H GLY A 101 12.745 -8.276 0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.516 -6.128 2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.377 -7.643 3.070 1.00 0.00 H new ATOM 1681 N PRO A 102 14.813 -5.020 2.938 1.00 0.00 N ATOM 1682 CA PRO A 102 16.039 -4.239 2.784 1.00 0.00 C ATOM 1683 C PRO A 102 17.276 -4.990 3.281 1.00 0.00 C ATOM 1684 O PRO A 102 17.539 -5.056 4.481 1.00 0.00 O ATOM 1685 CB PRO A 102 15.778 -2.992 3.631 1.00 0.00 C ATOM 1686 CG PRO A 102 14.790 -3.425 4.657 1.00 0.00 C ATOM 1687 CD PRO A 102 13.954 -4.500 4.018 1.00 0.00 C ATOM 0 HA PRO A 102 16.252 -4.016 1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.696 -2.630 4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.385 -2.177 3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.295 -3.803 5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.169 -2.588 4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.693 -5.281 4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.019 -4.100 3.627 1.00 0.00 H new ATOM 1695 N SER A 103 18.016 -5.581 2.353 1.00 0.00 N ATOM 1696 CA SER A 103 19.212 -6.332 2.700 1.00 0.00 C ATOM 1697 C SER A 103 20.408 -5.402 2.881 1.00 0.00 C ATOM 1698 O SER A 103 21.276 -5.646 3.718 1.00 0.00 O ATOM 1699 CB SER A 103 19.507 -7.369 1.617 1.00 0.00 C ATOM 1700 OG SER A 103 18.357 -8.152 1.344 1.00 0.00 O ATOM 0 H SER A 103 17.808 -5.554 1.355 1.00 0.00 H new ATOM 0 HA SER A 103 19.036 -6.843 3.647 1.00 0.00 H new ATOM 0 HB2 SER A 103 19.836 -6.868 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 103 20.324 -8.015 1.938 1.00 0.00 H new ATOM 0 HG SER A 103 18.566 -8.808 0.647 1.00 0.00 H new ATOM 1706 N SER A 104 20.440 -4.330 2.106 1.00 0.00 N ATOM 1707 CA SER A 104 21.539 -3.380 2.167 1.00 0.00 C ATOM 1708 C SER A 104 21.299 -2.360 3.279 1.00 0.00 C ATOM 1709 O SER A 104 20.214 -1.785 3.369 1.00 0.00 O ATOM 1710 CB SER A 104 21.668 -2.659 0.825 1.00 0.00 C ATOM 1711 OG SER A 104 21.523 -3.561 -0.260 1.00 0.00 O ATOM 0 H SER A 104 19.716 -4.096 1.426 1.00 0.00 H new ATOM 0 HA SER A 104 22.461 -3.921 2.381 1.00 0.00 H new ATOM 0 HB2 SER A 104 20.911 -1.878 0.755 1.00 0.00 H new ATOM 0 HB3 SER A 104 22.639 -2.168 0.765 1.00 0.00 H new ATOM 0 HG SER A 104 21.608 -3.072 -1.105 1.00 0.00 H new ATOM 1717 N ARG A 105 22.305 -2.135 4.124 1.00 0.00 N ATOM 1718 CA ARG A 105 22.188 -1.142 5.191 1.00 0.00 C ATOM 1719 C ARG A 105 22.014 0.253 4.609 1.00 0.00 C ATOM 1720 O ARG A 105 21.284 1.075 5.158 1.00 0.00 O ATOM 1721 CB ARG A 105 23.411 -1.154 6.111 1.00 0.00 C ATOM 1722 CG ARG A 105 23.533 -2.403 6.961 1.00 0.00 C ATOM 1723 CD ARG A 105 24.560 -2.214 8.063 1.00 0.00 C ATOM 1724 NE ARG A 105 24.720 -3.413 8.884 1.00 0.00 N ATOM 1725 CZ ARG A 105 23.865 -3.794 9.836 1.00 0.00 C ATOM 1726 NH1 ARG A 105 22.764 -3.088 10.073 1.00 0.00 N ATOM 1727 NH2 ARG A 105 24.109 -4.891 10.545 1.00 0.00 N ATOM 0 H ARG A 105 23.201 -2.621 4.092 1.00 0.00 H new ATOM 0 HA ARG A 105 21.309 -1.406 5.779 1.00 0.00 H new ATOM 0 HB2 ARG A 105 24.310 -1.051 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 105 23.368 -0.284 6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 105 22.565 -2.645 7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 105 23.819 -3.247 6.334 1.00 0.00 H new ATOM 0 HD2 ARG A 105 25.520 -1.949 7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 105 24.260 -1.380 8.697 1.00 0.00 H new ATOM 0 HE ARG A 105 25.539 -3.997 8.718 1.00 0.00 H new ATOM 0 HH11 ARG A 105 22.568 -2.250 9.526 1.00 0.00 H new ATOM 0 HH12 ARG A 105 22.115 -3.385 10.802 1.00 0.00 H new ATOM 0 HH21 ARG A 105 24.948 -5.441 10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 105 23.457 -5.183 11.273 1.00 0.00 H new ATOM 1741 N GLU A 106 22.689 0.507 3.495 1.00 0.00 N ATOM 1742 CA GLU A 106 22.588 1.791 2.807 1.00 0.00 C ATOM 1743 C GLU A 106 21.159 2.024 2.328 1.00 0.00 C ATOM 1744 O GLU A 106 20.663 3.149 2.344 1.00 0.00 O ATOM 1745 CB GLU A 106 23.560 1.826 1.630 1.00 0.00 C ATOM 1746 CG GLU A 106 25.011 1.661 2.047 1.00 0.00 C ATOM 1747 CD GLU A 106 25.910 1.271 0.895 1.00 0.00 C ATOM 1748 OE1 GLU A 106 25.920 0.080 0.530 1.00 0.00 O ATOM 1749 OE2 GLU A 106 26.618 2.147 0.356 1.00 0.00 O ATOM 0 H GLU A 106 23.315 -0.161 3.046 1.00 0.00 H new ATOM 0 HA GLU A 106 22.850 2.588 3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.298 1.035 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.446 2.772 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 106 25.368 2.595 2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.076 0.902 2.826 1.00 0.00 H new ATOM 1756 N GLU A 107 20.502 0.942 1.923 1.00 0.00 N ATOM 1757 CA GLU A 107 19.109 1.002 1.511 1.00 0.00 C ATOM 1758 C GLU A 107 18.232 1.332 2.716 1.00 0.00 C ATOM 1759 O GLU A 107 17.337 2.176 2.641 1.00 0.00 O ATOM 1760 CB GLU A 107 18.682 -0.337 0.901 1.00 0.00 C ATOM 1761 CG GLU A 107 17.332 -0.292 0.204 1.00 0.00 C ATOM 1762 CD GLU A 107 17.392 0.411 -1.137 1.00 0.00 C ATOM 1763 OE1 GLU A 107 17.622 1.637 -1.169 1.00 0.00 O ATOM 1764 OE2 GLU A 107 17.206 -0.266 -2.171 1.00 0.00 O ATOM 0 H GLU A 107 20.916 0.011 1.872 1.00 0.00 H new ATOM 0 HA GLU A 107 18.992 1.782 0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 107 19.439 -0.657 0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.649 -1.090 1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.967 -1.309 0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.613 0.217 0.845 1.00 0.00 H new ATOM 1771 N VAL A 108 18.514 0.667 3.833 1.00 0.00 N ATOM 1772 CA VAL A 108 17.787 0.894 5.074 1.00 0.00 C ATOM 1773 C VAL A 108 17.905 2.352 5.507 1.00 0.00 C ATOM 1774 O VAL A 108 16.900 3.026 5.714 1.00 0.00 O ATOM 1775 CB VAL A 108 18.310 -0.013 6.211 1.00 0.00 C ATOM 1776 CG1 VAL A 108 17.553 0.244 7.506 1.00 0.00 C ATOM 1777 CG2 VAL A 108 18.208 -1.479 5.820 1.00 0.00 C ATOM 0 H VAL A 108 19.247 -0.039 3.902 1.00 0.00 H new ATOM 0 HA VAL A 108 16.742 0.651 4.883 1.00 0.00 H new ATOM 0 HB VAL A 108 19.360 0.229 6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 108 17.941 -0.407 8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 108 17.682 1.285 7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 108 16.493 0.038 7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 108 18.581 -2.100 6.635 1.00 0.00 H new ATOM 0 HG22 VAL A 108 17.166 -1.731 5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 108 18.803 -1.659 4.925 1.00 0.00 H new ATOM 1787 N GLN A 109 19.140 2.835 5.608 1.00 0.00 N ATOM 1788 CA GLN A 109 19.405 4.193 6.071 1.00 0.00 C ATOM 1789 C GLN A 109 18.809 5.232 5.124 1.00 0.00 C ATOM 1790 O GLN A 109 18.409 6.316 5.553 1.00 0.00 O ATOM 1791 CB GLN A 109 20.911 4.413 6.228 1.00 0.00 C ATOM 1792 CG GLN A 109 21.557 3.475 7.238 1.00 0.00 C ATOM 1793 CD GLN A 109 23.056 3.668 7.340 1.00 0.00 C ATOM 1794 OE1 GLN A 109 23.711 4.057 6.375 1.00 0.00 O ATOM 1795 NE2 GLN A 109 23.615 3.379 8.504 1.00 0.00 N ATOM 0 H GLN A 109 19.978 2.302 5.374 1.00 0.00 H new ATOM 0 HA GLN A 109 18.925 4.317 7.042 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.393 4.280 5.260 1.00 0.00 H new ATOM 0 HB3 GLN A 109 21.090 5.444 6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 109 21.107 3.636 8.217 1.00 0.00 H new ATOM 0 HG3 GLN A 109 21.346 2.443 6.956 1.00 0.00 H new ATOM 0 HE21 GLN A 109 23.038 3.059 9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 109 24.623 3.476 8.624 1.00 0.00 H new ATOM 1804 N LYS A 110 18.738 4.894 3.840 1.00 0.00 N ATOM 1805 CA LYS A 110 18.122 5.769 2.850 1.00 0.00 C ATOM 1806 C LYS A 110 16.659 6.024 3.199 1.00 0.00 C ATOM 1807 O LYS A 110 16.243 7.166 3.397 1.00 0.00 O ATOM 1808 CB LYS A 110 18.220 5.153 1.451 1.00 0.00 C ATOM 1809 CG LYS A 110 17.438 5.919 0.395 1.00 0.00 C ATOM 1810 CD LYS A 110 17.451 5.204 -0.946 1.00 0.00 C ATOM 1811 CE LYS A 110 16.543 5.896 -1.953 1.00 0.00 C ATOM 1812 NZ LYS A 110 16.948 7.306 -2.198 1.00 0.00 N ATOM 0 H LYS A 110 19.100 4.019 3.461 1.00 0.00 H new ATOM 0 HA LYS A 110 18.659 6.718 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 110 19.268 5.109 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 110 17.856 4.126 1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 110 16.408 6.048 0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 110 17.863 6.916 0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 110 18.469 5.173 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 110 17.129 4.171 -0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 110 16.561 5.346 -2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 110 15.516 5.873 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 16.391 7.695 -2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 16.778 7.870 -1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 17.959 7.340 -2.440 1.00 0.00 H new ATOM 1826 N TYR A 111 15.886 4.951 3.294 1.00 0.00 N ATOM 1827 CA TYR A 111 14.462 5.063 3.567 1.00 0.00 C ATOM 1828 C TYR A 111 14.209 5.429 5.025 1.00 0.00 C ATOM 1829 O TYR A 111 13.171 6.002 5.357 1.00 0.00 O ATOM 1830 CB TYR A 111 13.742 3.771 3.191 1.00 0.00 C ATOM 1831 CG TYR A 111 13.734 3.520 1.700 1.00 0.00 C ATOM 1832 CD1 TYR A 111 12.744 4.065 0.891 1.00 0.00 C ATOM 1833 CD2 TYR A 111 14.720 2.750 1.097 1.00 0.00 C ATOM 1834 CE1 TYR A 111 12.738 3.850 -0.473 1.00 0.00 C ATOM 1835 CE2 TYR A 111 14.720 2.530 -0.266 1.00 0.00 C ATOM 1836 CZ TYR A 111 13.728 3.082 -1.046 1.00 0.00 C ATOM 1837 OH TYR A 111 13.730 2.865 -2.402 1.00 0.00 O ATOM 0 H TYR A 111 16.222 3.994 3.186 1.00 0.00 H new ATOM 0 HA TYR A 111 14.060 5.868 2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 111 14.223 2.932 3.694 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.715 3.813 3.554 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.966 4.667 1.337 1.00 0.00 H new ATOM 0 HD2 TYR A 111 15.500 2.316 1.705 1.00 0.00 H new ATOM 0 HE1 TYR A 111 11.962 4.281 -1.087 1.00 0.00 H new ATOM 0 HE2 TYR A 111 15.494 1.928 -0.718 1.00 0.00 H new ATOM 0 HH TYR A 111 14.497 2.304 -2.642 1.00 0.00 H new ATOM 1847 N PHE A 112 15.168 5.113 5.886 1.00 0.00 N ATOM 1848 CA PHE A 112 15.115 5.537 7.278 1.00 0.00 C ATOM 1849 C PHE A 112 15.108 7.059 7.355 1.00 0.00 C ATOM 1850 O PHE A 112 14.435 7.650 8.197 1.00 0.00 O ATOM 1851 CB PHE A 112 16.305 4.972 8.062 1.00 0.00 C ATOM 1852 CG PHE A 112 16.352 5.414 9.496 1.00 0.00 C ATOM 1853 CD1 PHE A 112 15.476 4.881 10.426 1.00 0.00 C ATOM 1854 CD2 PHE A 112 17.269 6.367 9.912 1.00 0.00 C ATOM 1855 CE1 PHE A 112 15.514 5.288 11.746 1.00 0.00 C ATOM 1856 CE2 PHE A 112 17.312 6.780 11.229 1.00 0.00 C ATOM 1857 CZ PHE A 112 16.433 6.240 12.148 1.00 0.00 C ATOM 0 H PHE A 112 15.993 4.564 5.644 1.00 0.00 H new ATOM 0 HA PHE A 112 14.198 5.152 7.725 1.00 0.00 H new ATOM 0 HB2 PHE A 112 16.266 3.883 8.028 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.229 5.273 7.568 1.00 0.00 H new ATOM 0 HD1 PHE A 112 14.755 4.139 10.116 1.00 0.00 H new ATOM 0 HD2 PHE A 112 17.958 6.792 9.197 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.827 4.863 12.463 1.00 0.00 H new ATOM 0 HE2 PHE A 112 18.031 7.523 11.540 1.00 0.00 H new ATOM 0 HZ PHE A 112 16.464 6.561 13.179 1.00 0.00 H new ATOM 1867 N SER A 113 15.849 7.687 6.454 1.00 0.00 N ATOM 1868 CA SER A 113 15.902 9.138 6.379 1.00 0.00 C ATOM 1869 C SER A 113 14.557 9.699 5.918 1.00 0.00 C ATOM 1870 O SER A 113 14.162 10.803 6.297 1.00 0.00 O ATOM 1871 CB SER A 113 17.018 9.563 5.425 1.00 0.00 C ATOM 1872 OG SER A 113 18.258 8.997 5.820 1.00 0.00 O ATOM 0 H SER A 113 16.425 7.210 5.761 1.00 0.00 H new ATOM 0 HA SER A 113 16.113 9.538 7.371 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.775 9.248 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 113 17.097 10.650 5.411 1.00 0.00 H new ATOM 0 HG SER A 113 18.271 8.044 5.591 1.00 0.00 H new ATOM 1878 N ILE A 114 13.846 8.918 5.119 1.00 0.00 N ATOM 1879 CA ILE A 114 12.541 9.323 4.617 1.00 0.00 C ATOM 1880 C ILE A 114 11.482 9.196 5.709 1.00 0.00 C ATOM 1881 O ILE A 114 10.696 10.117 5.936 1.00 0.00 O ATOM 1882 CB ILE A 114 12.120 8.479 3.394 1.00 0.00 C ATOM 1883 CG1 ILE A 114 13.179 8.577 2.296 1.00 0.00 C ATOM 1884 CG2 ILE A 114 10.764 8.933 2.872 1.00 0.00 C ATOM 1885 CD1 ILE A 114 12.888 7.712 1.088 1.00 0.00 C ATOM 0 H ILE A 114 14.152 7.997 4.803 1.00 0.00 H new ATOM 0 HA ILE A 114 12.621 10.365 4.309 1.00 0.00 H new ATOM 0 HB ILE A 114 12.034 7.437 3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 114 13.262 9.616 1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 114 14.146 8.293 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.484 8.327 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.015 8.817 3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.820 9.980 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.683 7.835 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.834 6.667 1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.937 8.011 0.647 1.00 0.00 H new ATOM 1897 N VAL A 115 11.484 8.064 6.403 1.00 0.00 N ATOM 1898 CA VAL A 115 10.476 7.790 7.421 1.00 0.00 C ATOM 1899 C VAL A 115 10.674 8.671 8.663 1.00 0.00 C ATOM 1900 O VAL A 115 9.736 8.905 9.422 1.00 0.00 O ATOM 1901 CB VAL A 115 10.462 6.292 7.822 1.00 0.00 C ATOM 1902 CG1 VAL A 115 11.742 5.897 8.541 1.00 0.00 C ATOM 1903 CG2 VAL A 115 9.241 5.967 8.670 1.00 0.00 C ATOM 0 H VAL A 115 12.172 7.321 6.280 1.00 0.00 H new ATOM 0 HA VAL A 115 9.509 8.034 6.981 1.00 0.00 H new ATOM 0 HB VAL A 115 10.404 5.706 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.699 4.841 8.808 1.00 0.00 H new ATOM 0 HG12 VAL A 115 12.596 6.071 7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.851 6.495 9.446 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.255 4.911 8.938 1.00 0.00 H new ATOM 0 HG22 VAL A 115 9.256 6.572 9.577 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.336 6.186 8.103 1.00 0.00 H new ATOM 1913 N SER A 116 11.888 9.169 8.862 1.00 0.00 N ATOM 1914 CA SER A 116 12.171 10.034 9.999 1.00 0.00 C ATOM 1915 C SER A 116 11.826 11.491 9.687 1.00 0.00 C ATOM 1916 O SER A 116 11.064 12.128 10.416 1.00 0.00 O ATOM 1917 CB SER A 116 13.642 9.908 10.405 1.00 0.00 C ATOM 1918 OG SER A 116 14.495 10.051 9.282 1.00 0.00 O ATOM 0 H SER A 116 12.688 8.990 8.255 1.00 0.00 H new ATOM 0 HA SER A 116 11.545 9.714 10.832 1.00 0.00 H new ATOM 0 HB2 SER A 116 13.884 10.668 11.148 1.00 0.00 H new ATOM 0 HB3 SER A 116 13.812 8.938 10.873 1.00 0.00 H new ATOM 0 HG SER A 116 14.609 9.181 8.845 1.00 0.00 H new ATOM 1924 N SER A 117 12.380 12.003 8.593 1.00 0.00 N ATOM 1925 CA SER A 117 12.208 13.403 8.227 1.00 0.00 C ATOM 1926 C SER A 117 10.818 13.665 7.645 1.00 0.00 C ATOM 1927 O SER A 117 10.142 14.620 8.032 1.00 0.00 O ATOM 1928 CB SER A 117 13.290 13.809 7.225 1.00 0.00 C ATOM 1929 OG SER A 117 14.581 13.506 7.732 1.00 0.00 O ATOM 0 H SER A 117 12.954 11.466 7.943 1.00 0.00 H new ATOM 0 HA SER A 117 12.304 14.006 9.130 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.133 13.287 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.217 14.876 7.016 1.00 0.00 H new ATOM 0 HG SER A 117 14.838 12.603 7.453 1.00 0.00 H new ATOM 1935 N GLY A 118 10.391 12.814 6.724 1.00 0.00 N ATOM 1936 CA GLY A 118 9.085 12.981 6.121 1.00 0.00 C ATOM 1937 C GLY A 118 7.999 12.319 6.942 1.00 0.00 C ATOM 1938 O GLY A 118 6.963 12.920 7.224 1.00 0.00 O ATOM 0 H GLY A 118 10.924 12.013 6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 118 8.866 14.044 6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 118 9.091 12.557 5.117 1.00 0.00 H new ATOM 1942 N GLY A 119 8.245 11.079 7.331 1.00 0.00 N ATOM 1943 CA GLY A 119 7.284 10.341 8.121 1.00 0.00 C ATOM 1944 C GLY A 119 6.883 9.053 7.442 1.00 0.00 C ATOM 1945 O GLY A 119 7.281 8.803 6.301 1.00 0.00 O ATOM 0 H GLY A 119 9.100 10.567 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 119 7.709 10.120 9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 119 6.400 10.956 8.288 1.00 0.00 H new ATOM 1949 N LEU A 120 6.100 8.233 8.129 1.00 0.00 N ATOM 1950 CA LEU A 120 5.635 6.975 7.555 1.00 0.00 C ATOM 1951 C LEU A 120 4.750 7.212 6.324 1.00 0.00 C ATOM 1952 O LEU A 120 4.936 6.545 5.311 1.00 0.00 O ATOM 1953 CB LEU A 120 4.886 6.130 8.590 1.00 0.00 C ATOM 1954 CG LEU A 120 4.472 4.742 8.096 1.00 0.00 C ATOM 1955 CD1 LEU A 120 5.701 3.900 7.773 1.00 0.00 C ATOM 1956 CD2 LEU A 120 3.604 4.043 9.125 1.00 0.00 C ATOM 0 H LEU A 120 5.774 8.413 9.079 1.00 0.00 H new ATOM 0 HA LEU A 120 6.520 6.424 7.239 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.517 6.015 9.472 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.994 6.671 8.905 1.00 0.00 H new ATOM 0 HG LEU A 120 3.889 4.865 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.387 2.917 7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.285 4.392 6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.311 3.788 8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.321 3.058 8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.160 3.934 10.056 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.706 4.634 9.306 1.00 0.00 H new ATOM 1968 N PRO A 121 3.768 8.149 6.380 1.00 0.00 N ATOM 1969 CA PRO A 121 2.934 8.476 5.216 1.00 0.00 C ATOM 1970 C PRO A 121 3.769 8.824 3.987 1.00 0.00 C ATOM 1971 O PRO A 121 3.421 8.451 2.867 1.00 0.00 O ATOM 1972 CB PRO A 121 2.109 9.692 5.670 1.00 0.00 C ATOM 1973 CG PRO A 121 2.736 10.152 6.945 1.00 0.00 C ATOM 1974 CD PRO A 121 3.360 8.935 7.558 1.00 0.00 C ATOM 0 HA PRO A 121 2.318 7.628 4.915 1.00 0.00 H new ATOM 0 HB2 PRO A 121 2.127 10.481 4.918 1.00 0.00 H new ATOM 0 HB3 PRO A 121 1.064 9.421 5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.484 10.922 6.757 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.992 10.587 7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 121 4.212 9.191 8.188 1.00 0.00 H new ATOM 0 HD3 PRO A 121 2.653 8.389 8.183 1.00 0.00 H new ATOM 1982 N ALA A 122 4.879 9.523 4.203 1.00 0.00 N ATOM 1983 CA ALA A 122 5.775 9.893 3.116 1.00 0.00 C ATOM 1984 C ALA A 122 6.524 8.672 2.601 1.00 0.00 C ATOM 1985 O ALA A 122 6.683 8.492 1.394 1.00 0.00 O ATOM 1986 CB ALA A 122 6.753 10.963 3.576 1.00 0.00 C ATOM 0 H ALA A 122 5.179 9.845 5.123 1.00 0.00 H new ATOM 0 HA ALA A 122 5.177 10.298 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 122 7.416 11.229 2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.201 11.846 3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.344 10.582 4.409 1.00 0.00 H new ATOM 1992 N LEU A 123 6.971 7.834 3.528 1.00 0.00 N ATOM 1993 CA LEU A 123 7.665 6.598 3.187 1.00 0.00 C ATOM 1994 C LEU A 123 6.783 5.704 2.324 1.00 0.00 C ATOM 1995 O LEU A 123 7.181 5.287 1.236 1.00 0.00 O ATOM 1996 CB LEU A 123 8.062 5.854 4.463 1.00 0.00 C ATOM 1997 CG LEU A 123 8.722 4.492 4.247 1.00 0.00 C ATOM 1998 CD1 LEU A 123 10.115 4.656 3.657 1.00 0.00 C ATOM 1999 CD2 LEU A 123 8.771 3.717 5.552 1.00 0.00 C ATOM 0 H LEU A 123 6.864 7.990 4.530 1.00 0.00 H new ATOM 0 HA LEU A 123 8.561 6.852 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.745 6.484 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 123 7.171 5.714 5.075 1.00 0.00 H new ATOM 0 HG LEU A 123 8.123 3.925 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.566 3.675 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.046 5.169 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.732 5.242 4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.243 2.749 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.347 4.279 6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.758 3.566 5.924 1.00 0.00 H new ATOM 2011 N VAL A 124 5.582 5.422 2.819 1.00 0.00 N ATOM 2012 CA VAL A 124 4.636 4.569 2.112 1.00 0.00 C ATOM 2013 C VAL A 124 4.297 5.150 0.745 1.00 0.00 C ATOM 2014 O VAL A 124 4.257 4.434 -0.256 1.00 0.00 O ATOM 2015 CB VAL A 124 3.335 4.379 2.926 1.00 0.00 C ATOM 2016 CG1 VAL A 124 2.319 3.555 2.150 1.00 0.00 C ATOM 2017 CG2 VAL A 124 3.639 3.727 4.265 1.00 0.00 C ATOM 0 H VAL A 124 5.240 5.775 3.713 1.00 0.00 H new ATOM 0 HA VAL A 124 5.113 3.598 1.980 1.00 0.00 H new ATOM 0 HB VAL A 124 2.902 5.363 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 124 1.414 3.437 2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.075 4.063 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 124 2.739 2.573 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.713 3.600 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.099 2.753 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.323 4.360 4.831 1.00 0.00 H new ATOM 2027 N ASP A 125 4.083 6.459 0.707 1.00 0.00 N ATOM 2028 CA ASP A 125 3.724 7.143 -0.527 1.00 0.00 C ATOM 2029 C ASP A 125 4.842 7.016 -1.554 1.00 0.00 C ATOM 2030 O ASP A 125 4.589 6.771 -2.733 1.00 0.00 O ATOM 2031 CB ASP A 125 3.436 8.618 -0.250 1.00 0.00 C ATOM 2032 CG ASP A 125 2.719 9.299 -1.396 1.00 0.00 C ATOM 2033 OD1 ASP A 125 3.390 9.845 -2.294 1.00 0.00 O ATOM 2034 OD2 ASP A 125 1.468 9.309 -1.388 1.00 0.00 O ATOM 0 H ASP A 125 4.152 7.070 1.521 1.00 0.00 H new ATOM 0 HA ASP A 125 2.825 6.676 -0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 125 2.831 8.702 0.653 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.375 9.137 -0.055 1.00 0.00 H new ATOM 2039 N ALA A 126 6.081 7.164 -1.098 1.00 0.00 N ATOM 2040 CA ALA A 126 7.239 7.049 -1.972 1.00 0.00 C ATOM 2041 C ALA A 126 7.401 5.622 -2.488 1.00 0.00 C ATOM 2042 O ALA A 126 7.774 5.407 -3.642 1.00 0.00 O ATOM 2043 CB ALA A 126 8.502 7.493 -1.245 1.00 0.00 C ATOM 0 H ALA A 126 6.308 7.365 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 126 7.077 7.703 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.358 7.400 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.396 8.532 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 126 8.657 6.865 -0.368 1.00 0.00 H new ATOM 2049 N LEU A 127 7.114 4.654 -1.628 1.00 0.00 N ATOM 2050 CA LEU A 127 7.251 3.246 -1.984 1.00 0.00 C ATOM 2051 C LEU A 127 6.207 2.830 -3.015 1.00 0.00 C ATOM 2052 O LEU A 127 6.545 2.268 -4.058 1.00 0.00 O ATOM 2053 CB LEU A 127 7.131 2.363 -0.736 1.00 0.00 C ATOM 2054 CG LEU A 127 8.246 2.534 0.298 1.00 0.00 C ATOM 2055 CD1 LEU A 127 7.993 1.643 1.504 1.00 0.00 C ATOM 2056 CD2 LEU A 127 9.597 2.217 -0.322 1.00 0.00 C ATOM 0 H LEU A 127 6.784 4.817 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 127 8.239 3.112 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 127 6.176 2.572 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 127 7.107 1.320 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 127 8.253 3.572 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.795 1.777 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.041 1.912 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.961 0.601 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 127 10.379 2.343 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.600 1.188 -0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 127 9.781 2.892 -1.157 1.00 0.00 H new ATOM 2068 N VAL A 128 4.944 3.116 -2.728 1.00 0.00 N ATOM 2069 CA VAL A 128 3.847 2.690 -3.594 1.00 0.00 C ATOM 2070 C VAL A 128 3.851 3.449 -4.920 1.00 0.00 C ATOM 2071 O VAL A 128 3.540 2.887 -5.968 1.00 0.00 O ATOM 2072 CB VAL A 128 2.469 2.871 -2.912 1.00 0.00 C ATOM 2073 CG1 VAL A 128 1.352 2.345 -3.801 1.00 0.00 C ATOM 2074 CG2 VAL A 128 2.436 2.178 -1.558 1.00 0.00 C ATOM 0 H VAL A 128 4.651 3.641 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 128 4.007 1.629 -3.788 1.00 0.00 H new ATOM 0 HB VAL A 128 2.313 3.938 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 128 0.393 2.483 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 128 1.351 2.890 -4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 128 1.511 1.284 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.457 2.320 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.623 1.112 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.204 2.604 -0.912 1.00 0.00 H new ATOM 2084 N ASP A 129 4.210 4.724 -4.883 1.00 0.00 N ATOM 2085 CA ASP A 129 4.178 5.546 -6.085 1.00 0.00 C ATOM 2086 C ASP A 129 5.575 5.686 -6.687 1.00 0.00 C ATOM 2087 O ASP A 129 5.911 6.703 -7.295 1.00 0.00 O ATOM 2088 CB ASP A 129 3.584 6.924 -5.776 1.00 0.00 C ATOM 2089 CG ASP A 129 3.080 7.622 -7.024 1.00 0.00 C ATOM 2090 OD1 ASP A 129 2.105 7.128 -7.628 1.00 0.00 O ATOM 2091 OD2 ASP A 129 3.637 8.674 -7.401 1.00 0.00 O ATOM 0 H ASP A 129 4.524 5.209 -4.042 1.00 0.00 H new ATOM 0 HA ASP A 129 3.542 5.051 -6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 129 2.764 6.814 -5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.340 7.544 -5.295 1.00 0.00 H new ATOM 2096 N SER A 130 6.396 4.659 -6.516 1.00 0.00 N ATOM 2097 CA SER A 130 7.720 4.647 -7.117 1.00 0.00 C ATOM 2098 C SER A 130 7.613 4.343 -8.609 1.00 0.00 C ATOM 2099 O SER A 130 6.818 3.497 -9.026 1.00 0.00 O ATOM 2100 CB SER A 130 8.621 3.631 -6.409 1.00 0.00 C ATOM 2101 OG SER A 130 7.993 2.367 -6.322 1.00 0.00 O ATOM 0 H SER A 130 6.169 3.828 -5.969 1.00 0.00 H new ATOM 0 HA SER A 130 8.172 5.632 -7.000 1.00 0.00 H new ATOM 0 HB2 SER A 130 9.563 3.536 -6.950 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.863 3.990 -5.409 1.00 0.00 H new ATOM 0 HG SER A 130 7.680 2.220 -5.405 1.00 0.00 H new ATOM 2107 N GLN A 131 8.412 5.041 -9.403 1.00 0.00 N ATOM 2108 CA GLN A 131 8.328 4.968 -10.857 1.00 0.00 C ATOM 2109 C GLN A 131 8.522 3.544 -11.367 1.00 0.00 C ATOM 2110 O GLN A 131 7.766 3.077 -12.225 1.00 0.00 O ATOM 2111 CB GLN A 131 9.372 5.890 -11.487 1.00 0.00 C ATOM 2112 CG GLN A 131 9.287 5.968 -13.003 1.00 0.00 C ATOM 2113 CD GLN A 131 7.963 6.526 -13.478 1.00 0.00 C ATOM 2114 OE1 GLN A 131 7.810 7.737 -13.638 1.00 0.00 O ATOM 2115 NE2 GLN A 131 6.996 5.652 -13.705 1.00 0.00 N ATOM 0 H GLN A 131 9.136 5.673 -9.060 1.00 0.00 H new ATOM 0 HA GLN A 131 7.328 5.291 -11.146 1.00 0.00 H new ATOM 0 HB2 GLN A 131 9.255 6.892 -11.074 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.366 5.543 -11.206 1.00 0.00 H new ATOM 0 HG2 GLN A 131 10.097 6.593 -13.378 1.00 0.00 H new ATOM 0 HG3 GLN A 131 9.431 4.973 -13.424 1.00 0.00 H new ATOM 0 HE21 GLN A 131 7.164 4.656 -13.560 1.00 0.00 H new ATOM 0 HE22 GLN A 131 6.083 5.974 -14.025 1.00 0.00 H new ATOM 2124 N GLU A 132 9.530 2.858 -10.840 1.00 0.00 N ATOM 2125 CA GLU A 132 9.846 1.509 -11.291 1.00 0.00 C ATOM 2126 C GLU A 132 8.715 0.546 -10.941 1.00 0.00 C ATOM 2127 O GLU A 132 8.283 -0.240 -11.783 1.00 0.00 O ATOM 2128 CB GLU A 132 11.168 1.032 -10.685 1.00 0.00 C ATOM 2129 CG GLU A 132 11.633 -0.315 -11.216 1.00 0.00 C ATOM 2130 CD GLU A 132 13.032 -0.673 -10.755 1.00 0.00 C ATOM 2131 OE1 GLU A 132 14.004 -0.308 -11.453 1.00 0.00 O ATOM 2132 OE2 GLU A 132 13.171 -1.320 -9.695 1.00 0.00 O ATOM 0 H GLU A 132 10.140 3.212 -10.103 1.00 0.00 H new ATOM 0 HA GLU A 132 9.955 1.529 -12.375 1.00 0.00 H new ATOM 0 HB2 GLU A 132 11.939 1.777 -10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.059 0.968 -9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 132 10.938 -1.089 -10.890 1.00 0.00 H new ATOM 0 HG3 GLU A 132 11.606 -0.301 -12.306 1.00 0.00 H new ATOM 2139 N TYR A 133 8.226 0.632 -9.709 1.00 0.00 N ATOM 2140 CA TYR A 133 7.153 -0.239 -9.238 1.00 0.00 C ATOM 2141 C TYR A 133 5.861 0.017 -10.009 1.00 0.00 C ATOM 2142 O TYR A 133 5.202 -0.923 -10.451 1.00 0.00 O ATOM 2143 CB TYR A 133 6.927 -0.028 -7.737 1.00 0.00 C ATOM 2144 CG TYR A 133 5.695 -0.713 -7.181 1.00 0.00 C ATOM 2145 CD1 TYR A 133 5.711 -2.059 -6.842 1.00 0.00 C ATOM 2146 CD2 TYR A 133 4.513 -0.004 -6.991 1.00 0.00 C ATOM 2147 CE1 TYR A 133 4.586 -2.680 -6.330 1.00 0.00 C ATOM 2148 CE2 TYR A 133 3.386 -0.618 -6.482 1.00 0.00 C ATOM 2149 CZ TYR A 133 3.427 -1.955 -6.153 1.00 0.00 C ATOM 2150 OH TYR A 133 2.305 -2.567 -5.645 1.00 0.00 O ATOM 0 H TYR A 133 8.558 1.300 -9.014 1.00 0.00 H new ATOM 0 HA TYR A 133 7.450 -1.273 -9.412 1.00 0.00 H new ATOM 0 HB2 TYR A 133 7.802 -0.389 -7.197 1.00 0.00 H new ATOM 0 HB3 TYR A 133 6.851 1.042 -7.541 1.00 0.00 H new ATOM 0 HD1 TYR A 133 6.617 -2.631 -6.980 1.00 0.00 H new ATOM 0 HD2 TYR A 133 4.476 1.045 -7.246 1.00 0.00 H new ATOM 0 HE1 TYR A 133 4.616 -3.728 -6.070 1.00 0.00 H new ATOM 0 HE2 TYR A 133 2.476 -0.053 -6.342 1.00 0.00 H new ATOM 0 HH TYR A 133 1.844 -3.052 -6.361 1.00 0.00 H new ATOM 2160 N ALA A 134 5.517 1.290 -10.175 1.00 0.00 N ATOM 2161 CA ALA A 134 4.282 1.681 -10.851 1.00 0.00 C ATOM 2162 C ALA A 134 4.172 1.048 -12.236 1.00 0.00 C ATOM 2163 O ALA A 134 3.152 0.450 -12.579 1.00 0.00 O ATOM 2164 CB ALA A 134 4.202 3.198 -10.958 1.00 0.00 C ATOM 0 H ALA A 134 6.080 2.075 -9.848 1.00 0.00 H new ATOM 0 HA ALA A 134 3.446 1.317 -10.254 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.278 3.479 -11.463 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.217 3.634 -9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.054 3.568 -11.528 1.00 0.00 H new ATOM 2170 N ASP A 135 5.237 1.162 -13.018 1.00 0.00 N ATOM 2171 CA ASP A 135 5.236 0.656 -14.389 1.00 0.00 C ATOM 2172 C ASP A 135 5.403 -0.864 -14.420 1.00 0.00 C ATOM 2173 O ASP A 135 4.891 -1.540 -15.315 1.00 0.00 O ATOM 2174 CB ASP A 135 6.352 1.322 -15.193 1.00 0.00 C ATOM 2175 CG ASP A 135 6.308 0.965 -16.665 1.00 0.00 C ATOM 2176 OD1 ASP A 135 5.487 1.551 -17.398 1.00 0.00 O ATOM 2177 OD2 ASP A 135 7.110 0.114 -17.101 1.00 0.00 O ATOM 0 H ASP A 135 6.112 1.599 -12.730 1.00 0.00 H new ATOM 0 HA ASP A 135 4.273 0.899 -14.838 1.00 0.00 H new ATOM 0 HB2 ASP A 135 6.277 2.404 -15.084 1.00 0.00 H new ATOM 0 HB3 ASP A 135 7.317 1.027 -14.781 1.00 0.00 H new ATOM 2182 N TYR A 136 6.116 -1.390 -13.432 1.00 0.00 N ATOM 2183 CA TYR A 136 6.387 -2.819 -13.337 1.00 0.00 C ATOM 2184 C TYR A 136 5.132 -3.593 -12.939 1.00 0.00 C ATOM 2185 O TYR A 136 4.781 -4.596 -13.564 1.00 0.00 O ATOM 2186 CB TYR A 136 7.497 -3.055 -12.300 1.00 0.00 C ATOM 2187 CG TYR A 136 7.803 -4.509 -12.010 1.00 0.00 C ATOM 2188 CD1 TYR A 136 7.031 -5.240 -11.114 1.00 0.00 C ATOM 2189 CD2 TYR A 136 8.866 -5.147 -12.628 1.00 0.00 C ATOM 2190 CE1 TYR A 136 7.309 -6.568 -10.849 1.00 0.00 C ATOM 2191 CE2 TYR A 136 9.151 -6.472 -12.366 1.00 0.00 C ATOM 2192 CZ TYR A 136 8.372 -7.178 -11.479 1.00 0.00 C ATOM 2193 OH TYR A 136 8.650 -8.504 -11.232 1.00 0.00 O ATOM 0 H TYR A 136 6.522 -0.839 -12.675 1.00 0.00 H new ATOM 0 HA TYR A 136 6.708 -3.179 -14.315 1.00 0.00 H new ATOM 0 HB2 TYR A 136 8.409 -2.570 -12.649 1.00 0.00 H new ATOM 0 HB3 TYR A 136 7.213 -2.566 -11.368 1.00 0.00 H new ATOM 0 HD1 TYR A 136 6.200 -4.762 -10.617 1.00 0.00 H new ATOM 0 HD2 TYR A 136 9.482 -4.599 -13.326 1.00 0.00 H new ATOM 0 HE1 TYR A 136 6.698 -7.123 -10.153 1.00 0.00 H new ATOM 0 HE2 TYR A 136 9.984 -6.953 -12.857 1.00 0.00 H new ATOM 0 HH TYR A 136 9.430 -8.778 -11.758 1.00 0.00 H new ATOM 2203 N PHE A 137 4.468 -3.120 -11.899 1.00 0.00 N ATOM 2204 CA PHE A 137 3.391 -3.868 -11.273 1.00 0.00 C ATOM 2205 C PHE A 137 2.044 -3.576 -11.924 1.00 0.00 C ATOM 2206 O PHE A 137 1.236 -4.483 -12.130 1.00 0.00 O ATOM 2207 CB PHE A 137 3.347 -3.534 -9.780 1.00 0.00 C ATOM 2208 CG PHE A 137 2.467 -4.440 -8.974 1.00 0.00 C ATOM 2209 CD1 PHE A 137 2.888 -5.718 -8.649 1.00 0.00 C ATOM 2210 CD2 PHE A 137 1.230 -4.009 -8.530 1.00 0.00 C ATOM 2211 CE1 PHE A 137 2.090 -6.552 -7.894 1.00 0.00 C ATOM 2212 CE2 PHE A 137 0.427 -4.839 -7.777 1.00 0.00 C ATOM 2213 CZ PHE A 137 0.857 -6.112 -7.459 1.00 0.00 C ATOM 0 H PHE A 137 4.657 -2.215 -11.468 1.00 0.00 H new ATOM 0 HA PHE A 137 3.588 -4.931 -11.408 1.00 0.00 H new ATOM 0 HB2 PHE A 137 4.360 -3.578 -9.379 1.00 0.00 H new ATOM 0 HB3 PHE A 137 3.001 -2.508 -9.659 1.00 0.00 H new ATOM 0 HD1 PHE A 137 3.852 -6.066 -8.990 1.00 0.00 H new ATOM 0 HD2 PHE A 137 0.890 -3.014 -8.775 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.429 -7.546 -7.644 1.00 0.00 H new ATOM 0 HE2 PHE A 137 -0.538 -4.494 -7.436 1.00 0.00 H new ATOM 0 HZ PHE A 137 0.228 -6.763 -6.870 1.00 0.00 H new ATOM 2223 N GLY A 138 1.803 -2.317 -12.249 1.00 0.00 N ATOM 2224 CA GLY A 138 0.525 -1.935 -12.812 1.00 0.00 C ATOM 2225 C GLY A 138 -0.402 -1.364 -11.758 1.00 0.00 C ATOM 2226 O GLY A 138 0.028 -1.087 -10.638 1.00 0.00 O ATOM 0 H GLY A 138 2.468 -1.552 -12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 138 0.680 -1.197 -13.599 1.00 0.00 H new ATOM 0 HA3 GLY A 138 0.057 -2.803 -13.276 1.00 0.00 H new ATOM 2230 N GLU A 139 -1.672 -1.197 -12.099 1.00 0.00 N ATOM 2231 CA GLU A 139 -2.619 -0.585 -11.176 1.00 0.00 C ATOM 2232 C GLU A 139 -3.748 -1.542 -10.789 1.00 0.00 C ATOM 2233 O GLU A 139 -4.616 -1.191 -9.991 1.00 0.00 O ATOM 2234 CB GLU A 139 -3.204 0.693 -11.783 1.00 0.00 C ATOM 2235 CG GLU A 139 -3.961 0.476 -13.085 1.00 0.00 C ATOM 2236 CD GLU A 139 -4.706 1.716 -13.534 1.00 0.00 C ATOM 2237 OE1 GLU A 139 -4.115 2.545 -14.257 1.00 0.00 O ATOM 2238 OE2 GLU A 139 -5.885 1.875 -13.151 1.00 0.00 O ATOM 0 H GLU A 139 -2.068 -1.473 -12.998 1.00 0.00 H new ATOM 0 HA GLU A 139 -2.069 -0.339 -10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -3.876 1.152 -11.057 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -2.395 1.401 -11.960 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.260 0.175 -13.864 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -4.668 -0.344 -12.958 1.00 0.00 H new ATOM 2245 N GLU A 140 -3.730 -2.747 -11.343 1.00 0.00 N ATOM 2246 CA GLU A 140 -4.828 -3.691 -11.134 1.00 0.00 C ATOM 2247 C GLU A 140 -4.578 -4.636 -9.954 1.00 0.00 C ATOM 2248 O GLU A 140 -5.465 -4.854 -9.128 1.00 0.00 O ATOM 2249 CB GLU A 140 -5.074 -4.516 -12.404 1.00 0.00 C ATOM 2250 CG GLU A 140 -3.835 -5.229 -12.925 1.00 0.00 C ATOM 2251 CD GLU A 140 -4.158 -6.312 -13.931 1.00 0.00 C ATOM 2252 OE1 GLU A 140 -4.296 -5.996 -15.132 1.00 0.00 O ATOM 2253 OE2 GLU A 140 -4.266 -7.489 -13.527 1.00 0.00 O ATOM 0 H GLU A 140 -2.976 -3.095 -11.936 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.710 -3.095 -10.899 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -5.848 -5.256 -12.201 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.458 -3.859 -13.184 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.169 -4.499 -13.385 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.295 -5.669 -12.086 1.00 0.00 H new ATOM 2260 N THR A 141 -3.374 -5.182 -9.874 1.00 0.00 N ATOM 2261 CA THR A 141 -3.089 -6.283 -8.961 1.00 0.00 C ATOM 2262 C THR A 141 -2.879 -5.806 -7.519 1.00 0.00 C ATOM 2263 O THR A 141 -2.535 -4.649 -7.281 1.00 0.00 O ATOM 2264 CB THR A 141 -1.842 -7.048 -9.448 1.00 0.00 C ATOM 2265 OG1 THR A 141 -1.903 -7.200 -10.874 1.00 0.00 O ATOM 2266 CG2 THR A 141 -1.744 -8.424 -8.806 1.00 0.00 C ATOM 0 H THR A 141 -2.575 -4.881 -10.432 1.00 0.00 H new ATOM 0 HA THR A 141 -3.957 -6.942 -8.959 1.00 0.00 H new ATOM 0 HB THR A 141 -0.961 -6.473 -9.162 1.00 0.00 H new ATOM 0 HG1 THR A 141 -1.110 -7.685 -11.186 1.00 0.00 H new ATOM 0 HG21 THR A 141 -0.853 -8.934 -9.173 1.00 0.00 H new ATOM 0 HG22 THR A 141 -1.681 -8.317 -7.723 1.00 0.00 H new ATOM 0 HG23 THR A 141 -2.628 -9.009 -9.062 1.00 0.00 H new ATOM 2274 N VAL A 142 -3.114 -6.704 -6.564 1.00 0.00 N ATOM 2275 CA VAL A 142 -2.841 -6.427 -5.159 1.00 0.00 C ATOM 2276 C VAL A 142 -1.456 -6.965 -4.792 1.00 0.00 C ATOM 2277 O VAL A 142 -1.184 -8.154 -4.969 1.00 0.00 O ATOM 2278 CB VAL A 142 -3.901 -7.077 -4.239 1.00 0.00 C ATOM 2279 CG1 VAL A 142 -3.751 -6.592 -2.805 1.00 0.00 C ATOM 2280 CG2 VAL A 142 -5.306 -6.805 -4.758 1.00 0.00 C ATOM 0 H VAL A 142 -3.495 -7.634 -6.741 1.00 0.00 H new ATOM 0 HA VAL A 142 -2.877 -5.347 -5.014 1.00 0.00 H new ATOM 0 HB VAL A 142 -3.738 -8.155 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -4.509 -7.065 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.760 -6.853 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -3.877 -5.510 -2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -6.035 -7.271 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -5.480 -5.729 -4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -5.410 -7.219 -5.761 1.00 0.00 H new ATOM 2290 N PRO A 143 -0.563 -6.095 -4.296 1.00 0.00 N ATOM 2291 CA PRO A 143 0.827 -6.470 -3.993 1.00 0.00 C ATOM 2292 C PRO A 143 0.958 -7.423 -2.804 1.00 0.00 C ATOM 2293 O PRO A 143 0.227 -7.316 -1.813 1.00 0.00 O ATOM 2294 CB PRO A 143 1.496 -5.131 -3.673 1.00 0.00 C ATOM 2295 CG PRO A 143 0.386 -4.247 -3.222 1.00 0.00 C ATOM 2296 CD PRO A 143 -0.827 -4.676 -4.001 1.00 0.00 C ATOM 0 HA PRO A 143 1.277 -7.010 -4.826 1.00 0.00 H new ATOM 0 HB2 PRO A 143 2.253 -5.243 -2.896 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.997 -4.720 -4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.217 -4.348 -2.150 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.620 -3.199 -3.410 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.741 -4.550 -3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.945 -4.092 -4.914 1.00 0.00 H new