USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 498 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 64 GLN : amide:sc= -0.721 X(o=0.36,f=0.61) USER MOD Set 1.2: A 65 ASN : amide:sc= 1.08 K(o=0.36,f=-0.26) USER MOD Single : A 27 TYR OH : rot 120:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0745 X(o=-0.074,f=-0.081) USER MOD Single : A 35 THR OG1 : rot -42:sc= 0.203 USER MOD Single : A 40 MET CE :methyl -161:sc= -0.139 (180deg=-0.634) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -53:sc= -0.0446 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -35:sc= 1.29 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.369 X(o=-0.37,f=0.046) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -172:sc= 1.32 (180deg=1.17) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 174:sc=-0.000241 (180deg=-0.0402) USER MOD Single : A 75 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ALA A 22 -15.465 13.502 -4.911 1.00 0.00 N ATOM 225 CA ALA A 22 -15.622 14.375 -6.044 1.00 0.00 C ATOM 226 C ALA A 22 -16.932 14.036 -6.695 1.00 0.00 C ATOM 227 O ALA A 22 -17.313 12.864 -6.748 1.00 0.00 O ATOM 228 CB ALA A 22 -14.469 14.211 -7.026 1.00 0.00 C ATOM 0 HA ALA A 22 -15.615 15.416 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.614 14.883 -7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.530 14.452 -6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.437 13.181 -7.381 1.00 0.00 H new ATOM 234 N ARG A 23 -17.626 15.028 -7.143 1.00 0.00 N ATOM 235 CA ARG A 23 -18.950 14.825 -7.690 1.00 0.00 C ATOM 236 C ARG A 23 -18.859 14.705 -9.190 1.00 0.00 C ATOM 237 O ARG A 23 -19.634 13.984 -9.837 1.00 0.00 O ATOM 238 CB ARG A 23 -19.865 15.986 -7.292 1.00 0.00 C ATOM 239 CG ARG A 23 -19.972 16.178 -5.785 1.00 0.00 C ATOM 240 CD ARG A 23 -20.842 17.366 -5.434 1.00 0.00 C ATOM 241 NE ARG A 23 -20.860 17.629 -3.985 1.00 0.00 N ATOM 242 CZ ARG A 23 -21.645 18.521 -3.363 1.00 0.00 C ATOM 243 NH1 ARG A 23 -22.480 19.286 -4.066 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -21.562 18.672 -2.037 1.00 0.00 N ATOM 0 H ARG A 23 -17.307 15.997 -7.146 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.374 13.905 -7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -19.491 16.905 -7.743 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.860 15.812 -7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.385 15.277 -5.332 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.976 16.319 -5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -20.477 18.249 -5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -21.859 17.186 -5.782 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.221 17.086 -3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -22.524 19.194 -5.081 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -23.075 19.963 -3.589 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.902 18.109 -1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -22.158 19.350 -1.563 1.00 0.00 H new ATOM 258 N PHE A 24 -17.888 15.378 -9.738 1.00 0.00 N ATOM 259 CA PHE A 24 -17.655 15.376 -11.151 1.00 0.00 C ATOM 260 C PHE A 24 -16.173 15.307 -11.410 1.00 0.00 C ATOM 261 O PHE A 24 -15.369 15.460 -10.504 1.00 0.00 O ATOM 262 CB PHE A 24 -18.181 16.671 -11.824 1.00 0.00 C ATOM 263 CG PHE A 24 -19.668 16.903 -11.796 1.00 0.00 C ATOM 264 CD1 PHE A 24 -20.466 16.441 -12.825 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.259 17.612 -10.766 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.821 16.672 -12.824 1.00 0.00 C ATOM 267 CE2 PHE A 24 -21.614 17.852 -10.761 1.00 0.00 C ATOM 268 CZ PHE A 24 -22.397 17.380 -11.791 1.00 0.00 C ATOM 0 H PHE A 24 -17.229 15.949 -9.209 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.180 14.516 -11.566 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.697 17.522 -11.345 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.859 16.666 -12.865 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -20.019 15.891 -13.640 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -19.649 17.982 -9.955 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.434 16.299 -13.632 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.062 18.409 -9.952 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.461 17.564 -11.789 1.00 0.00 H new ATOM 278 N CYS A 25 -15.834 15.025 -12.612 1.00 0.00 N ATOM 279 CA CYS A 25 -14.505 15.201 -13.095 1.00 0.00 C ATOM 280 C CYS A 25 -14.581 16.171 -14.236 1.00 0.00 C ATOM 281 O CYS A 25 -15.483 16.068 -15.085 1.00 0.00 O ATOM 282 CB CYS A 25 -13.871 13.892 -13.552 1.00 0.00 C ATOM 283 SG CYS A 25 -13.318 12.808 -12.209 1.00 0.00 S ATOM 0 H CYS A 25 -16.483 14.657 -13.308 1.00 0.00 H new ATOM 0 HA CYS A 25 -13.872 15.575 -12.290 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.591 13.350 -14.165 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.018 14.121 -14.190 1.00 0.00 H new ATOM 288 N VAL A 26 -13.703 17.125 -14.236 1.00 0.00 N ATOM 289 CA VAL A 26 -13.685 18.149 -15.247 1.00 0.00 C ATOM 290 C VAL A 26 -12.678 17.761 -16.307 1.00 0.00 C ATOM 291 O VAL A 26 -11.509 17.530 -15.990 1.00 0.00 O ATOM 292 CB VAL A 26 -13.254 19.500 -14.647 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.556 20.617 -15.606 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.895 19.745 -13.290 1.00 0.00 C ATOM 0 H VAL A 26 -12.971 17.220 -13.532 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.686 18.246 -15.667 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.177 19.468 -14.485 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.246 21.566 -15.168 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.015 20.453 -16.538 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.627 20.643 -15.808 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.566 20.708 -12.901 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.980 19.748 -13.395 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.600 18.955 -12.600 1.00 0.00 H new ATOM 304 N TYR A 27 -13.129 17.664 -17.533 1.00 0.00 N ATOM 305 CA TYR A 27 -12.266 17.309 -18.634 1.00 0.00 C ATOM 306 C TYR A 27 -11.904 18.517 -19.449 1.00 0.00 C ATOM 307 O TYR A 27 -12.733 19.424 -19.664 1.00 0.00 O ATOM 308 CB TYR A 27 -12.904 16.250 -19.527 1.00 0.00 C ATOM 309 CG TYR A 27 -13.135 14.928 -18.832 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.247 14.730 -18.041 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.234 13.880 -18.959 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.460 13.542 -17.398 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.445 12.682 -18.314 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.567 12.521 -17.534 1.00 0.00 C ATOM 315 OH TYR A 27 -13.794 11.330 -16.885 1.00 0.00 O ATOM 0 H TYR A 27 -14.101 17.828 -17.796 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.356 16.891 -18.205 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -13.857 16.627 -19.898 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.266 16.087 -20.395 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.964 15.529 -17.927 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.354 14.006 -19.573 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.337 13.412 -16.781 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.735 11.875 -18.419 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.862 10.607 -17.543 1.00 0.00 H new ATOM 325 N TYR A 28 -10.679 18.544 -19.886 1.00 0.00 N ATOM 326 CA TYR A 28 -10.164 19.614 -20.683 1.00 0.00 C ATOM 327 C TYR A 28 -9.452 19.063 -21.895 1.00 0.00 C ATOM 328 O TYR A 28 -8.877 17.968 -21.852 1.00 0.00 O ATOM 329 CB TYR A 28 -9.159 20.464 -19.904 1.00 0.00 C ATOM 330 CG TYR A 28 -9.677 21.163 -18.678 1.00 0.00 C ATOM 331 CD1 TYR A 28 -9.691 20.529 -17.453 1.00 0.00 C ATOM 332 CD2 TYR A 28 -10.110 22.474 -18.741 1.00 0.00 C ATOM 333 CE1 TYR A 28 -10.118 21.180 -16.328 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.547 23.131 -17.616 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.544 22.476 -16.411 1.00 0.00 C ATOM 336 OH TYR A 28 -10.955 23.127 -15.272 1.00 0.00 O ATOM 0 H TYR A 28 -9.999 17.809 -19.694 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.014 20.231 -20.975 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.329 19.823 -19.606 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.753 21.217 -20.580 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.360 19.504 -17.381 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.105 22.990 -19.690 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.118 20.671 -15.376 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.890 24.153 -17.680 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.226 24.041 -15.498 1.00 0.00 H new ATOM 346 N ASP A 29 -9.513 19.820 -22.947 1.00 0.00 N ATOM 347 CA ASP A 29 -8.809 19.557 -24.181 1.00 0.00 C ATOM 348 C ASP A 29 -7.477 20.245 -24.139 1.00 0.00 C ATOM 349 O ASP A 29 -7.387 21.467 -24.305 1.00 0.00 O ATOM 350 CB ASP A 29 -9.618 20.063 -25.377 1.00 0.00 C ATOM 351 CG ASP A 29 -8.838 20.093 -26.687 1.00 0.00 C ATOM 352 OD1 ASP A 29 -8.102 19.142 -26.989 1.00 0.00 O ATOM 353 OD2 ASP A 29 -8.984 21.082 -27.445 1.00 0.00 O1- ATOM 0 H ASP A 29 -10.073 20.672 -22.979 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.667 18.482 -24.292 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.495 19.429 -25.503 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.980 21.068 -25.159 1.00 0.00 H new ATOM 358 N GLY A 30 -6.478 19.505 -23.833 1.00 0.00 N ATOM 359 CA GLY A 30 -5.163 20.027 -23.783 1.00 0.00 C ATOM 360 C GLY A 30 -4.347 19.361 -22.740 1.00 0.00 C ATOM 361 O GLY A 30 -4.727 19.287 -21.565 1.00 0.00 O ATOM 0 H GLY A 30 -6.549 18.513 -23.608 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.685 19.901 -24.754 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.204 21.098 -23.584 1.00 0.00 H new ATOM 365 N HIS A 31 -3.211 18.930 -23.162 1.00 0.00 N ATOM 366 CA HIS A 31 -2.264 18.203 -22.347 1.00 0.00 C ATOM 367 C HIS A 31 -1.514 19.144 -21.391 1.00 0.00 C ATOM 368 O HIS A 31 -0.787 18.710 -20.511 1.00 0.00 O ATOM 369 CB HIS A 31 -1.264 17.468 -23.279 1.00 0.00 C ATOM 370 CG HIS A 31 -0.280 16.600 -22.559 1.00 0.00 C ATOM 371 ND1 HIS A 31 1.076 16.617 -22.763 1.00 0.00 N ATOM 372 CD2 HIS A 31 -0.503 15.685 -21.620 1.00 0.00 C ATOM 373 CE1 HIS A 31 1.625 15.717 -21.950 1.00 0.00 C ATOM 374 NE2 HIS A 31 0.700 15.112 -21.228 1.00 0.00 N ATOM 0 H HIS A 31 -2.890 19.073 -24.120 1.00 0.00 H new ATOM 0 HA HIS A 31 -2.802 17.479 -21.735 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.825 16.855 -23.984 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.719 18.208 -23.864 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.473 15.426 -21.222 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.683 15.510 -21.889 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.839 14.380 -20.531 1.00 0.00 H new ATOM 382 N LEU A 32 -1.728 20.414 -21.519 1.00 0.00 N ATOM 383 CA LEU A 32 -0.975 21.335 -20.761 1.00 0.00 C ATOM 384 C LEU A 32 -1.909 22.420 -20.252 1.00 0.00 C ATOM 385 O LEU A 32 -2.783 22.881 -20.997 1.00 0.00 O ATOM 386 CB LEU A 32 0.113 21.920 -21.668 1.00 0.00 C ATOM 387 CG LEU A 32 1.213 22.683 -20.983 1.00 0.00 C ATOM 388 CD1 LEU A 32 2.088 21.728 -20.181 1.00 0.00 C ATOM 389 CD2 LEU A 32 2.037 23.460 -21.995 1.00 0.00 C ATOM 0 H LEU A 32 -2.420 20.828 -22.144 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.501 20.857 -19.904 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.563 21.103 -22.232 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.364 22.582 -22.391 1.00 0.00 H new ATOM 0 HG LEU A 32 0.768 23.402 -20.295 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.882 22.289 -19.688 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.481 21.222 -19.430 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.528 20.988 -20.850 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.827 24.005 -21.479 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.481 22.768 -22.711 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.395 24.165 -22.523 1.00 0.00 H new ATOM 401 N PRO A 33 -1.747 22.859 -18.988 1.00 0.00 N ATOM 402 CA PRO A 33 -2.589 23.908 -18.373 1.00 0.00 C ATOM 403 C PRO A 33 -2.469 25.263 -19.088 1.00 0.00 C ATOM 404 O PRO A 33 -3.193 26.202 -18.791 1.00 0.00 O ATOM 405 CB PRO A 33 -2.046 24.016 -16.940 1.00 0.00 C ATOM 406 CG PRO A 33 -0.686 23.425 -17.004 1.00 0.00 C ATOM 407 CD PRO A 33 -0.765 22.336 -18.020 1.00 0.00 C ATOM 0 HA PRO A 33 -3.647 23.651 -18.428 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.011 25.053 -16.607 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.679 23.476 -16.235 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.053 24.174 -17.290 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.384 23.033 -16.033 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.202 22.148 -18.487 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.094 21.395 -17.579 1.00 0.00 H new ATOM 415 N ALA A 34 -1.542 25.354 -20.008 1.00 0.00 N ATOM 416 CA ALA A 34 -1.341 26.555 -20.780 1.00 0.00 C ATOM 417 C ALA A 34 -2.098 26.517 -22.113 1.00 0.00 C ATOM 418 O ALA A 34 -2.151 27.517 -22.824 1.00 0.00 O ATOM 419 CB ALA A 34 0.137 26.765 -21.023 1.00 0.00 C ATOM 0 H ALA A 34 -0.903 24.595 -20.244 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.741 27.390 -20.205 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.284 27.674 -21.607 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.653 26.860 -20.068 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.540 25.913 -21.570 1.00 0.00 H new ATOM 425 N THR A 35 -2.684 25.380 -22.450 1.00 0.00 N ATOM 426 CA THR A 35 -3.339 25.236 -23.751 1.00 0.00 C ATOM 427 C THR A 35 -4.712 24.540 -23.603 1.00 0.00 C ATOM 428 O THR A 35 -5.370 24.208 -24.592 1.00 0.00 O ATOM 429 CB THR A 35 -2.402 24.390 -24.688 1.00 0.00 C ATOM 430 OG1 THR A 35 -2.850 24.408 -26.050 1.00 0.00 O ATOM 431 CG2 THR A 35 -2.335 22.941 -24.221 1.00 0.00 C ATOM 0 H THR A 35 -2.723 24.552 -21.855 1.00 0.00 H new ATOM 0 HA THR A 35 -3.512 26.222 -24.182 1.00 0.00 H new ATOM 0 HB THR A 35 -1.414 24.847 -24.634 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.825 24.316 -26.075 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.681 22.375 -24.884 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.942 22.904 -23.205 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.334 22.506 -24.239 1.00 0.00 H new ATOM 439 N ARG A 36 -5.148 24.352 -22.379 1.00 0.00 N ATOM 440 CA ARG A 36 -6.310 23.524 -22.149 1.00 0.00 C ATOM 441 C ARG A 36 -7.643 24.269 -22.383 1.00 0.00 C ATOM 442 O ARG A 36 -7.765 25.449 -22.080 1.00 0.00 O ATOM 443 CB ARG A 36 -6.233 22.825 -20.768 1.00 0.00 C ATOM 444 CG ARG A 36 -6.879 23.518 -19.533 1.00 0.00 C ATOM 445 CD ARG A 36 -6.187 24.798 -19.041 1.00 0.00 C ATOM 446 NE ARG A 36 -6.493 25.990 -19.836 1.00 0.00 N ATOM 447 CZ ARG A 36 -6.343 27.253 -19.418 1.00 0.00 C ATOM 448 NH1 ARG A 36 -5.875 27.507 -18.196 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -6.680 28.262 -20.218 1.00 0.00 N ATOM 0 H ARG A 36 -4.726 24.752 -21.541 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.298 22.738 -22.904 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.692 21.842 -20.871 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.180 22.662 -20.540 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.914 23.759 -19.776 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.903 22.803 -18.711 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.478 24.980 -18.007 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.109 24.639 -19.045 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.848 25.846 -20.781 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.629 26.737 -17.574 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.763 28.471 -17.883 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.052 28.073 -21.149 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.566 29.225 -19.900 1.00 0.00 H new ATOM 463 N VAL A 37 -8.591 23.588 -22.972 1.00 0.00 N ATOM 464 CA VAL A 37 -9.920 24.128 -23.200 1.00 0.00 C ATOM 465 C VAL A 37 -10.912 23.317 -22.380 1.00 0.00 C ATOM 466 O VAL A 37 -10.820 22.106 -22.347 1.00 0.00 O ATOM 467 CB VAL A 37 -10.295 24.051 -24.711 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.702 24.581 -24.970 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.287 24.826 -25.545 1.00 0.00 C ATOM 0 H VAL A 37 -8.469 22.634 -23.312 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.944 25.176 -22.900 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.273 23.001 -25.002 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.927 24.511 -26.034 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.423 23.989 -24.407 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.762 25.623 -24.654 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.561 24.764 -26.598 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.282 25.870 -25.233 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.294 24.401 -25.403 1.00 0.00 H new ATOM 479 N LEU A 38 -11.821 23.976 -21.706 1.00 0.00 N ATOM 480 CA LEU A 38 -12.815 23.294 -20.876 1.00 0.00 C ATOM 481 C LEU A 38 -13.762 22.494 -21.778 1.00 0.00 C ATOM 482 O LEU A 38 -14.313 23.041 -22.731 1.00 0.00 O ATOM 483 CB LEU A 38 -13.577 24.361 -20.012 1.00 0.00 C ATOM 484 CG LEU A 38 -14.700 23.911 -19.024 1.00 0.00 C ATOM 485 CD1 LEU A 38 -16.004 23.545 -19.729 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.230 22.761 -18.170 1.00 0.00 C ATOM 0 H LEU A 38 -11.903 24.993 -21.708 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.337 22.591 -20.194 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.830 24.899 -19.429 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.021 25.079 -20.702 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.913 24.771 -18.389 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.745 23.241 -18.989 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.375 24.409 -20.280 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.825 22.723 -20.422 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.028 22.464 -17.489 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.965 21.918 -18.808 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.357 23.069 -17.594 1.00 0.00 H new ATOM 498 N LEU A 39 -13.919 21.205 -21.511 1.00 0.00 N ATOM 499 CA LEU A 39 -14.827 20.410 -22.306 1.00 0.00 C ATOM 500 C LEU A 39 -16.154 20.205 -21.601 1.00 0.00 C ATOM 501 O LEU A 39 -17.171 20.709 -22.065 1.00 0.00 O ATOM 502 CB LEU A 39 -14.207 19.064 -22.700 1.00 0.00 C ATOM 503 CG LEU A 39 -12.984 19.133 -23.615 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.468 17.738 -23.912 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.320 19.857 -24.912 1.00 0.00 C ATOM 0 H LEU A 39 -13.438 20.701 -20.766 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.017 20.969 -23.222 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.926 18.535 -21.789 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.972 18.464 -23.193 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.204 19.694 -23.100 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.597 17.803 -24.564 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.187 17.248 -22.980 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.248 17.159 -24.405 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.435 19.894 -25.548 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.117 19.324 -25.430 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.649 20.872 -24.688 1.00 0.00 H new ATOM 517 N MET A 40 -16.141 19.531 -20.448 1.00 0.00 N ATOM 518 CA MET A 40 -17.369 19.224 -19.718 1.00 0.00 C ATOM 519 C MET A 40 -17.060 18.497 -18.447 1.00 0.00 C ATOM 520 O MET A 40 -15.922 18.053 -18.222 1.00 0.00 O ATOM 521 CB MET A 40 -18.378 18.409 -20.565 1.00 0.00 C ATOM 522 CG MET A 40 -17.872 17.062 -21.014 1.00 0.00 C ATOM 523 SD MET A 40 -19.092 16.127 -21.972 1.00 0.00 S ATOM 524 CE MET A 40 -20.406 15.915 -20.760 1.00 0.00 C ATOM 0 H MET A 40 -15.291 19.188 -20.001 1.00 0.00 H new ATOM 0 HA MET A 40 -17.840 20.179 -19.483 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.289 18.266 -19.984 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.650 18.993 -21.445 1.00 0.00 H new ATOM 0 HG2 MET A 40 -16.974 17.200 -21.617 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.582 16.480 -20.139 1.00 0.00 H new ATOM 0 HE1 MET A 40 -21.057 15.097 -21.069 1.00 0.00 H new ATOM 0 HE2 MET A 40 -19.970 15.685 -19.788 1.00 0.00 H new ATOM 0 HE3 MET A 40 -20.987 16.834 -20.689 1.00 0.00 H new ATOM 534 N TYR A 41 -18.048 18.419 -17.622 1.00 0.00 N ATOM 535 CA TYR A 41 -17.986 17.760 -16.349 1.00 0.00 C ATOM 536 C TYR A 41 -18.721 16.430 -16.470 1.00 0.00 C ATOM 537 O TYR A 41 -19.733 16.347 -17.150 1.00 0.00 O ATOM 538 CB TYR A 41 -18.681 18.628 -15.277 1.00 0.00 C ATOM 539 CG TYR A 41 -18.059 19.997 -15.014 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.076 21.002 -15.981 1.00 0.00 C ATOM 541 CD2 TYR A 41 -17.468 20.283 -13.793 1.00 0.00 C ATOM 542 CE1 TYR A 41 -17.519 22.238 -15.741 1.00 0.00 C ATOM 543 CE2 TYR A 41 -16.912 21.526 -13.544 1.00 0.00 C ATOM 544 CZ TYR A 41 -16.941 22.497 -14.523 1.00 0.00 C ATOM 545 OH TYR A 41 -16.383 23.734 -14.280 1.00 0.00 O ATOM 0 H TYR A 41 -18.962 18.828 -17.818 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.947 17.602 -16.059 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -19.719 18.774 -15.575 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.693 18.071 -14.340 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.536 20.806 -16.938 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.441 19.525 -13.025 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.537 23.000 -16.507 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.457 21.735 -12.587 1.00 0.00 H new ATOM 0 HH TYR A 41 -16.017 23.755 -13.371 1.00 0.00 H new ATOM 555 N VAL A 42 -18.182 15.397 -15.874 1.00 0.00 N ATOM 556 CA VAL A 42 -18.839 14.091 -15.867 1.00 0.00 C ATOM 557 C VAL A 42 -19.048 13.647 -14.437 1.00 0.00 C ATOM 558 O VAL A 42 -18.119 13.708 -13.632 1.00 0.00 O ATOM 559 CB VAL A 42 -18.021 13.012 -16.634 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.697 11.641 -16.567 1.00 0.00 C ATOM 561 CG2 VAL A 42 -17.813 13.424 -18.080 1.00 0.00 C ATOM 0 H VAL A 42 -17.288 15.423 -15.383 1.00 0.00 H new ATOM 0 HA VAL A 42 -19.795 14.198 -16.379 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.049 12.932 -16.147 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.098 10.913 -17.113 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.786 11.330 -15.526 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.689 11.702 -17.014 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.239 12.656 -18.598 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.781 13.544 -18.567 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.270 14.368 -18.115 1.00 0.00 H new ATOM 571 N ARG A 43 -20.261 13.229 -14.132 1.00 0.00 N ATOM 572 CA ARG A 43 -20.648 12.785 -12.813 1.00 0.00 C ATOM 573 C ARG A 43 -19.919 11.485 -12.442 1.00 0.00 C ATOM 574 O ARG A 43 -19.876 10.516 -13.230 1.00 0.00 O ATOM 575 CB ARG A 43 -22.176 12.579 -12.777 1.00 0.00 C ATOM 576 CG ARG A 43 -22.733 12.050 -11.457 1.00 0.00 C ATOM 577 CD ARG A 43 -22.671 13.076 -10.336 1.00 0.00 C ATOM 578 NE ARG A 43 -23.550 14.219 -10.594 1.00 0.00 N ATOM 579 CZ ARG A 43 -24.111 14.987 -9.656 1.00 0.00 C ATOM 580 NH1 ARG A 43 -23.848 14.780 -8.371 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -24.931 15.966 -10.012 1.00 0.00 N ATOM 0 H ARG A 43 -21.020 13.189 -14.812 1.00 0.00 H new ATOM 0 HA ARG A 43 -20.368 13.544 -12.082 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.659 13.530 -13.001 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.451 11.886 -13.572 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.768 11.741 -11.603 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -22.174 11.162 -11.162 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -22.955 12.604 -9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -21.645 13.426 -10.220 1.00 0.00 H new ATOM 0 HE ARG A 43 -23.750 14.447 -11.568 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -23.214 14.030 -8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -24.280 15.371 -7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -25.131 16.130 -10.999 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -25.362 16.555 -9.299 1.00 0.00 H new ATOM 595 N ILE A 44 -19.337 11.481 -11.275 1.00 0.00 N ATOM 596 CA ILE A 44 -18.658 10.307 -10.746 1.00 0.00 C ATOM 597 C ILE A 44 -19.643 9.170 -10.537 1.00 0.00 C ATOM 598 O ILE A 44 -20.592 9.265 -9.738 1.00 0.00 O ATOM 599 CB ILE A 44 -17.898 10.618 -9.430 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.807 11.649 -9.700 1.00 0.00 C ATOM 601 CG2 ILE A 44 -17.296 9.348 -8.812 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.738 11.186 -10.657 1.00 0.00 C ATOM 0 H ILE A 44 -19.314 12.290 -10.654 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.917 10.001 -11.484 1.00 0.00 H new ATOM 0 HB ILE A 44 -18.610 11.024 -8.712 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -17.268 12.553 -10.099 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.338 11.921 -8.754 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.771 9.605 -7.892 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -18.093 8.639 -8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.596 8.898 -9.515 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -15.003 11.979 -10.793 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.247 10.301 -10.253 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -16.191 10.943 -11.618 1.00 0.00 H new ATOM 614 N GLY A 45 -19.426 8.125 -11.268 1.00 0.00 N ATOM 615 CA GLY A 45 -20.272 6.978 -11.221 1.00 0.00 C ATOM 616 C GLY A 45 -20.988 6.763 -12.532 1.00 0.00 C ATOM 617 O GLY A 45 -21.569 5.708 -12.761 1.00 0.00 O ATOM 0 H GLY A 45 -18.647 8.043 -11.922 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.678 6.096 -10.981 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -21.003 7.097 -10.421 1.00 0.00 H new ATOM 621 N THR A 46 -20.941 7.751 -13.405 1.00 0.00 N ATOM 622 CA THR A 46 -21.646 7.661 -14.658 1.00 0.00 C ATOM 623 C THR A 46 -20.704 7.654 -15.841 1.00 0.00 C ATOM 624 O THR A 46 -19.489 7.970 -15.721 1.00 0.00 O ATOM 625 CB THR A 46 -22.665 8.829 -14.825 1.00 0.00 C ATOM 626 OG1 THR A 46 -22.001 10.098 -14.758 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.743 8.773 -13.761 1.00 0.00 C ATOM 0 H THR A 46 -20.423 8.619 -13.266 1.00 0.00 H new ATOM 0 HA THR A 46 -22.184 6.714 -14.635 1.00 0.00 H new ATOM 0 HB THR A 46 -23.129 8.716 -15.805 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.470 10.146 -13.936 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.438 9.600 -13.904 1.00 0.00 H new ATOM 0 HG22 THR A 46 -24.282 7.829 -13.838 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.285 8.850 -12.775 1.00 0.00 H new ATOM 635 N THR A 47 -21.236 7.251 -16.947 1.00 0.00 N ATOM 636 CA THR A 47 -20.559 7.344 -18.185 1.00 0.00 C ATOM 637 C THR A 47 -21.086 8.556 -18.894 1.00 0.00 C ATOM 638 O THR A 47 -22.231 8.978 -18.651 1.00 0.00 O ATOM 639 CB THR A 47 -20.792 6.112 -19.074 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.203 5.886 -19.243 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.147 4.870 -18.500 1.00 0.00 C ATOM 0 H THR A 47 -22.168 6.842 -17.010 1.00 0.00 H new ATOM 0 HA THR A 47 -19.488 7.409 -17.993 1.00 0.00 H new ATOM 0 HB THR A 47 -20.329 6.315 -20.040 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.343 5.100 -19.812 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.337 4.023 -19.160 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.072 5.027 -18.410 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.567 4.664 -17.516 1.00 0.00 H new ATOM 649 N ALA A 48 -20.298 9.109 -19.732 1.00 0.00 N ATOM 650 CA ALA A 48 -20.692 10.278 -20.481 1.00 0.00 C ATOM 651 C ALA A 48 -19.921 10.365 -21.758 1.00 0.00 C ATOM 652 O ALA A 48 -18.778 9.901 -21.845 1.00 0.00 O ATOM 653 CB ALA A 48 -20.505 11.547 -19.669 1.00 0.00 C ATOM 0 H ALA A 48 -19.354 8.777 -19.932 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.753 10.180 -20.713 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.811 12.408 -20.263 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -21.114 11.494 -18.766 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.456 11.651 -19.393 1.00 0.00 H new ATOM 659 N THR A 49 -20.532 10.947 -22.735 1.00 0.00 N ATOM 660 CA THR A 49 -19.922 11.109 -24.002 1.00 0.00 C ATOM 661 C THR A 49 -19.224 12.468 -24.076 1.00 0.00 C ATOM 662 O THR A 49 -19.866 13.515 -23.957 1.00 0.00 O ATOM 663 CB THR A 49 -20.984 11.045 -25.108 1.00 0.00 C ATOM 664 OG1 THR A 49 -21.814 9.874 -24.933 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.327 11.002 -26.481 1.00 0.00 C ATOM 0 H THR A 49 -21.477 11.325 -22.671 1.00 0.00 H new ATOM 0 HA THR A 49 -19.194 10.309 -24.140 1.00 0.00 H new ATOM 0 HB THR A 49 -21.602 11.940 -25.041 1.00 0.00 H new ATOM 0 HG1 THR A 49 -21.272 9.139 -24.576 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.097 10.957 -27.251 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.723 11.898 -26.624 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.690 10.120 -26.552 1.00 0.00 H new ATOM 673 N ILE A 50 -17.935 12.447 -24.253 1.00 0.00 N ATOM 674 CA ILE A 50 -17.183 13.651 -24.482 1.00 0.00 C ATOM 675 C ILE A 50 -17.111 13.757 -25.981 1.00 0.00 C ATOM 676 O ILE A 50 -17.077 12.742 -26.665 1.00 0.00 O ATOM 677 CB ILE A 50 -15.726 13.531 -23.959 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.673 12.941 -22.541 1.00 0.00 C ATOM 679 CG2 ILE A 50 -15.013 14.889 -24.006 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.323 13.795 -21.472 1.00 0.00 C ATOM 0 H ILE A 50 -17.373 11.596 -24.243 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.648 14.499 -23.979 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.202 12.841 -24.621 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.158 11.965 -22.551 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.630 12.776 -22.270 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.994 14.778 -23.635 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.987 15.251 -25.034 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.551 15.604 -23.383 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.236 13.297 -20.506 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.825 14.764 -21.427 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.376 13.939 -21.712 1.00 0.00 H new ATOM 692 N THR A 51 -17.150 14.907 -26.492 1.00 0.00 N ATOM 693 CA THR A 51 -17.111 15.074 -27.909 1.00 0.00 C ATOM 694 C THR A 51 -16.094 16.144 -28.271 1.00 0.00 C ATOM 695 O THR A 51 -16.273 17.328 -27.957 1.00 0.00 O ATOM 696 CB THR A 51 -18.518 15.413 -28.444 1.00 0.00 C ATOM 697 OG1 THR A 51 -19.449 14.437 -27.923 1.00 0.00 O ATOM 698 CG2 THR A 51 -18.556 15.364 -29.966 1.00 0.00 C ATOM 0 H THR A 51 -17.210 15.774 -25.959 1.00 0.00 H new ATOM 0 HA THR A 51 -16.799 14.142 -28.380 1.00 0.00 H new ATOM 0 HB THR A 51 -18.782 16.422 -28.126 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.350 14.637 -28.251 1.00 0.00 H new ATOM 0 HG21 THR A 51 -19.560 15.607 -30.313 1.00 0.00 H new ATOM 0 HG22 THR A 51 -17.847 16.086 -30.371 1.00 0.00 H new ATOM 0 HG23 THR A 51 -18.288 14.363 -30.305 1.00 0.00 H new ATOM 706 N ALA A 52 -15.008 15.711 -28.859 1.00 0.00 N ATOM 707 CA ALA A 52 -13.945 16.592 -29.255 1.00 0.00 C ATOM 708 C ALA A 52 -13.350 16.087 -30.547 1.00 0.00 C ATOM 709 O ALA A 52 -13.146 14.883 -30.710 1.00 0.00 O ATOM 710 CB ALA A 52 -12.891 16.682 -28.161 1.00 0.00 C ATOM 0 H ALA A 52 -14.838 14.729 -29.077 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.337 17.597 -29.412 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.093 17.354 -28.479 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.346 17.065 -27.248 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.477 15.691 -27.972 1.00 0.00 H new ATOM 716 N ARG A 53 -13.119 17.004 -31.472 1.00 0.00 N ATOM 717 CA ARG A 53 -12.578 16.739 -32.818 1.00 0.00 C ATOM 718 C ARG A 53 -13.523 15.868 -33.624 1.00 0.00 C ATOM 719 O ARG A 53 -13.120 15.188 -34.566 1.00 0.00 O ATOM 720 CB ARG A 53 -11.198 16.079 -32.750 1.00 0.00 C ATOM 721 CG ARG A 53 -10.156 16.889 -32.024 1.00 0.00 C ATOM 722 CD ARG A 53 -8.806 16.209 -32.096 1.00 0.00 C ATOM 723 NE ARG A 53 -8.822 14.855 -31.520 1.00 0.00 N ATOM 724 CZ ARG A 53 -8.152 13.804 -32.025 1.00 0.00 C ATOM 725 NH1 ARG A 53 -7.441 13.936 -33.146 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -8.198 12.631 -31.417 1.00 0.00 N ATOM 0 H ARG A 53 -13.306 17.994 -31.312 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.475 17.703 -33.315 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.296 15.111 -32.259 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.850 15.888 -33.765 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.091 17.885 -32.463 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.449 17.018 -30.982 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.487 16.153 -33.137 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.070 16.815 -31.569 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.380 14.703 -30.680 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.404 14.837 -33.623 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.934 13.136 -33.526 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.743 12.521 -30.562 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.689 11.836 -31.803 1.00 0.00 H new ATOM 740 N GLY A 54 -14.779 15.942 -33.282 1.00 0.00 N ATOM 741 CA GLY A 54 -15.791 15.136 -33.923 1.00 0.00 C ATOM 742 C GLY A 54 -15.792 13.707 -33.400 1.00 0.00 C ATOM 743 O GLY A 54 -16.561 12.854 -33.873 1.00 0.00 O ATOM 0 H GLY A 54 -15.134 16.560 -32.553 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.771 15.584 -33.758 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.621 15.129 -35.000 1.00 0.00 H new ATOM 747 N HIS A 55 -14.940 13.434 -32.436 1.00 0.00 N ATOM 748 CA HIS A 55 -14.832 12.121 -31.860 1.00 0.00 C ATOM 749 C HIS A 55 -15.647 12.077 -30.596 1.00 0.00 C ATOM 750 O HIS A 55 -15.576 12.991 -29.759 1.00 0.00 O ATOM 751 CB HIS A 55 -13.371 11.744 -31.540 1.00 0.00 C ATOM 752 CG HIS A 55 -12.444 11.596 -32.719 1.00 0.00 C ATOM 753 ND1 HIS A 55 -11.937 10.390 -33.147 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.877 12.536 -33.514 1.00 0.00 C ATOM 755 CE1 HIS A 55 -11.094 10.630 -34.157 1.00 0.00 C ATOM 756 NE2 HIS A 55 -11.021 11.921 -34.422 1.00 0.00 N ATOM 0 H HIS A 55 -14.303 14.121 -32.032 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.204 11.401 -32.589 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.960 12.504 -30.875 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.374 10.805 -30.987 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -12.061 13.598 -33.452 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.544 9.866 -34.687 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.456 12.373 -35.141 1.00 0.00 H new ATOM 764 N GLU A 56 -16.426 11.053 -30.469 1.00 0.00 N ATOM 765 CA GLU A 56 -17.258 10.856 -29.315 1.00 0.00 C ATOM 766 C GLU A 56 -16.597 9.827 -28.428 1.00 0.00 C ATOM 767 O GLU A 56 -16.457 8.668 -28.820 1.00 0.00 O ATOM 768 CB GLU A 56 -18.602 10.338 -29.763 1.00 0.00 C ATOM 769 CG GLU A 56 -19.323 11.263 -30.705 1.00 0.00 C ATOM 770 CD GLU A 56 -20.462 10.573 -31.370 1.00 0.00 C ATOM 771 OE1 GLU A 56 -20.226 9.904 -32.407 1.00 0.00 O ATOM 772 OE2 GLU A 56 -21.591 10.666 -30.887 1.00 0.00 O1- ATOM 0 H GLU A 56 -16.508 10.317 -31.170 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.391 11.792 -28.773 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.465 9.372 -30.250 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.227 10.168 -28.886 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.690 12.131 -30.157 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.628 11.633 -31.459 1.00 0.00 H new ATOM 779 N PHE A 57 -16.177 10.246 -27.281 1.00 0.00 N ATOM 780 CA PHE A 57 -15.499 9.400 -26.343 1.00 0.00 C ATOM 781 C PHE A 57 -16.448 9.048 -25.228 1.00 0.00 C ATOM 782 O PHE A 57 -16.853 9.928 -24.473 1.00 0.00 O ATOM 783 CB PHE A 57 -14.308 10.144 -25.741 1.00 0.00 C ATOM 784 CG PHE A 57 -13.360 10.719 -26.747 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.396 9.931 -27.337 1.00 0.00 C ATOM 786 CD2 PHE A 57 -13.437 12.057 -27.099 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.525 10.462 -28.260 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.571 12.593 -28.018 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.613 11.797 -28.601 1.00 0.00 C ATOM 0 H PHE A 57 -16.296 11.206 -26.958 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.154 8.501 -26.855 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.681 10.951 -25.110 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.759 9.461 -25.093 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.323 8.886 -27.072 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.188 12.686 -26.644 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.773 9.835 -28.717 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.641 13.638 -28.283 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.930 12.216 -29.325 1.00 0.00 H new ATOM 799 N GLU A 58 -16.835 7.810 -25.134 1.00 0.00 N ATOM 800 CA GLU A 58 -17.689 7.401 -24.052 1.00 0.00 C ATOM 801 C GLU A 58 -16.782 7.042 -22.891 1.00 0.00 C ATOM 802 O GLU A 58 -16.081 6.018 -22.911 1.00 0.00 O ATOM 803 CB GLU A 58 -18.546 6.210 -24.481 1.00 0.00 C ATOM 804 CG GLU A 58 -19.622 5.795 -23.483 1.00 0.00 C ATOM 805 CD GLU A 58 -20.634 6.887 -23.226 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.172 7.457 -24.208 1.00 0.00 O ATOM 807 OE2 GLU A 58 -20.953 7.152 -22.062 1.00 0.00 O1- ATOM 0 H GLU A 58 -16.577 7.069 -25.786 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.376 8.196 -23.761 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.026 6.450 -25.430 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.891 5.357 -24.662 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.136 4.910 -23.857 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.149 5.515 -22.542 1.00 0.00 H new ATOM 814 N VAL A 59 -16.773 7.883 -21.905 1.00 0.00 N ATOM 815 CA VAL A 59 -15.880 7.741 -20.797 1.00 0.00 C ATOM 816 C VAL A 59 -16.646 7.304 -19.575 1.00 0.00 C ATOM 817 O VAL A 59 -17.784 7.732 -19.362 1.00 0.00 O ATOM 818 CB VAL A 59 -15.118 9.080 -20.485 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.288 9.545 -21.670 1.00 0.00 C ATOM 820 CG2 VAL A 59 -16.059 10.196 -20.031 1.00 0.00 C ATOM 0 H VAL A 59 -17.389 8.694 -21.845 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.140 6.986 -21.065 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.445 8.856 -19.657 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.777 10.473 -21.414 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.551 8.782 -21.920 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.940 9.714 -22.527 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.482 11.098 -19.828 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.787 10.399 -20.816 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.579 9.887 -19.124 1.00 0.00 H new ATOM 830 N GLU A 60 -16.065 6.440 -18.808 1.00 0.00 N ATOM 831 CA GLU A 60 -16.664 6.034 -17.577 1.00 0.00 C ATOM 832 C GLU A 60 -15.898 6.649 -16.429 1.00 0.00 C ATOM 833 O GLU A 60 -14.719 6.324 -16.208 1.00 0.00 O ATOM 834 CB GLU A 60 -16.692 4.506 -17.458 1.00 0.00 C ATOM 835 CG GLU A 60 -17.288 4.003 -16.151 1.00 0.00 C ATOM 836 CD GLU A 60 -17.399 2.508 -16.104 1.00 0.00 C ATOM 837 OE1 GLU A 60 -16.373 1.814 -16.221 1.00 0.00 O1- ATOM 838 OE2 GLU A 60 -18.521 1.990 -15.960 1.00 0.00 O ATOM 0 H GLU A 60 -15.169 5.998 -19.014 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.697 6.381 -17.549 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.266 4.096 -18.290 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.675 4.125 -17.554 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.671 4.344 -15.320 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.277 4.441 -16.015 1.00 0.00 H new ATOM 845 N ALA A 61 -16.531 7.559 -15.724 1.00 0.00 N ATOM 846 CA ALA A 61 -15.902 8.148 -14.565 1.00 0.00 C ATOM 847 C ALA A 61 -16.208 7.271 -13.364 1.00 0.00 C ATOM 848 O ALA A 61 -17.182 7.486 -12.659 1.00 0.00 O ATOM 849 CB ALA A 61 -16.370 9.583 -14.343 1.00 0.00 C ATOM 0 H ALA A 61 -17.469 7.904 -15.929 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.824 8.199 -14.718 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.876 9.995 -13.463 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.119 10.187 -15.215 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.449 9.594 -14.192 1.00 0.00 H new ATOM 855 N LYS A 62 -15.402 6.245 -13.187 1.00 0.00 N ATOM 856 CA LYS A 62 -15.656 5.223 -12.183 1.00 0.00 C ATOM 857 C LYS A 62 -15.170 5.582 -10.780 1.00 0.00 C ATOM 858 O LYS A 62 -15.620 4.993 -9.790 1.00 0.00 O ATOM 859 CB LYS A 62 -15.082 3.876 -12.626 1.00 0.00 C ATOM 860 CG LYS A 62 -13.591 3.897 -12.905 1.00 0.00 C ATOM 861 CD LYS A 62 -13.068 2.528 -13.343 1.00 0.00 C ATOM 862 CE LYS A 62 -13.681 2.078 -14.666 1.00 0.00 C ATOM 863 NZ LYS A 62 -13.211 0.739 -15.077 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.553 6.093 -13.732 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.741 5.152 -12.107 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.285 3.135 -11.853 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.604 3.549 -13.525 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.378 4.631 -13.682 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.060 4.218 -12.009 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.983 2.569 -13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.290 1.791 -12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.767 2.067 -14.575 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.434 2.801 -15.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.655 0.477 -15.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.177 0.754 -15.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.470 0.042 -14.350 1.00 0.00 H new ATOM 877 N ASP A 63 -14.255 6.512 -10.670 1.00 0.00 N ATOM 878 CA ASP A 63 -13.723 6.819 -9.378 1.00 0.00 C ATOM 879 C ASP A 63 -13.484 8.295 -9.244 1.00 0.00 C ATOM 880 O ASP A 63 -13.114 8.948 -10.223 1.00 0.00 O ATOM 881 CB ASP A 63 -12.437 6.038 -9.128 1.00 0.00 C ATOM 882 CG ASP A 63 -11.881 6.311 -7.772 1.00 0.00 C ATOM 883 OD1 ASP A 63 -12.500 5.893 -6.769 1.00 0.00 O1- ATOM 884 OD2 ASP A 63 -10.858 6.995 -7.684 1.00 0.00 O ATOM 0 H ASP A 63 -13.873 7.056 -11.444 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.453 6.522 -8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.633 4.971 -9.233 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.698 6.302 -9.884 1.00 0.00 H new ATOM 889 N GLN A 64 -13.668 8.815 -8.028 1.00 0.00 N ATOM 890 CA GLN A 64 -13.522 10.234 -7.716 1.00 0.00 C ATOM 891 C GLN A 64 -12.098 10.776 -7.866 1.00 0.00 C ATOM 892 O GLN A 64 -11.861 11.953 -7.651 1.00 0.00 O ATOM 893 CB GLN A 64 -14.158 10.592 -6.341 1.00 0.00 C ATOM 894 CG GLN A 64 -13.728 9.751 -5.116 1.00 0.00 C ATOM 895 CD GLN A 64 -12.302 9.975 -4.604 1.00 0.00 C ATOM 896 OE1 GLN A 64 -11.689 9.057 -4.058 1.00 0.00 O ATOM 897 NE2 GLN A 64 -11.777 11.167 -4.750 1.00 0.00 N ATOM 0 H GLN A 64 -13.927 8.249 -7.220 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.090 10.756 -8.486 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.933 11.637 -6.128 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.241 10.513 -6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.421 9.957 -4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -13.839 8.697 -5.369 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.310 11.907 -5.207 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.835 11.355 -4.407 1.00 0.00 H new ATOM 906 N ASN A 65 -11.164 9.928 -8.230 1.00 0.00 N ATOM 907 CA ASN A 65 -9.807 10.370 -8.493 1.00 0.00 C ATOM 908 C ASN A 65 -9.633 10.582 -9.989 1.00 0.00 C ATOM 909 O ASN A 65 -8.520 10.736 -10.489 1.00 0.00 O ATOM 910 CB ASN A 65 -8.769 9.365 -7.965 1.00 0.00 C ATOM 911 CG ASN A 65 -8.733 9.271 -6.444 1.00 0.00 C ATOM 912 OD1 ASN A 65 -8.017 10.014 -5.775 1.00 0.00 O ATOM 913 ND2 ASN A 65 -9.473 8.355 -5.891 1.00 0.00 N ATOM 0 H ASN A 65 -11.316 8.927 -8.352 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.640 11.309 -7.966 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.987 8.380 -8.377 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.781 9.651 -8.327 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.469 8.239 -4.878 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.057 7.753 -6.471 1.00 0.00 H new ATOM 920 N CYS A 66 -10.758 10.563 -10.696 1.00 0.00 N ATOM 921 CA CYS A 66 -10.822 10.795 -12.133 1.00 0.00 C ATOM 922 C CYS A 66 -10.088 9.743 -12.916 1.00 0.00 C ATOM 923 O CYS A 66 -9.362 10.031 -13.867 1.00 0.00 O ATOM 924 CB CYS A 66 -10.368 12.203 -12.496 1.00 0.00 C ATOM 925 SG CYS A 66 -11.450 13.474 -11.808 1.00 0.00 S ATOM 0 H CYS A 66 -11.670 10.382 -10.276 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.870 10.713 -12.420 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.352 12.359 -12.133 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -10.338 12.304 -13.581 1.00 0.00 H new ATOM 930 N LYS A 67 -10.269 8.517 -12.510 1.00 0.00 N ATOM 931 CA LYS A 67 -9.766 7.409 -13.266 1.00 0.00 C ATOM 932 C LYS A 67 -10.718 7.120 -14.366 1.00 0.00 C ATOM 933 O LYS A 67 -11.743 6.439 -14.202 1.00 0.00 O ATOM 934 CB LYS A 67 -9.440 6.214 -12.404 1.00 0.00 C ATOM 935 CG LYS A 67 -8.033 6.156 -11.757 1.00 0.00 C ATOM 936 CD LYS A 67 -7.568 7.478 -11.171 1.00 0.00 C ATOM 937 CE LYS A 67 -6.754 8.244 -12.182 1.00 0.00 C ATOM 938 NZ LYS A 67 -6.326 9.573 -11.701 1.00 0.00 N1+ ATOM 0 H LYS A 67 -10.764 8.261 -11.655 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.805 7.673 -13.708 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.179 6.165 -11.604 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.567 5.318 -13.011 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.037 5.403 -10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.313 5.829 -12.507 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.430 8.071 -10.865 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.972 7.297 -10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.873 7.660 -12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.340 8.366 -13.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.890 10.102 -12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.152 10.097 -11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.634 9.458 -10.933 1.00 0.00 H new ATOM 952 N VAL A 68 -10.418 7.750 -15.440 1.00 0.00 N ATOM 953 CA VAL A 68 -11.199 7.716 -16.623 1.00 0.00 C ATOM 954 C VAL A 68 -10.785 6.574 -17.541 1.00 0.00 C ATOM 955 O VAL A 68 -9.681 6.551 -18.095 1.00 0.00 O ATOM 956 CB VAL A 68 -11.179 9.095 -17.371 1.00 0.00 C ATOM 957 CG1 VAL A 68 -9.759 9.602 -17.623 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.956 9.007 -18.673 1.00 0.00 C ATOM 0 H VAL A 68 -9.584 8.331 -15.524 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.229 7.528 -16.320 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.664 9.820 -16.717 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.801 10.559 -18.143 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.244 9.729 -16.671 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.218 8.880 -18.235 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.931 9.973 -19.178 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.505 8.250 -19.315 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.990 8.735 -18.462 1.00 0.00 H new ATOM 968 N ILE A 69 -11.642 5.610 -17.639 1.00 0.00 N ATOM 969 CA ILE A 69 -11.459 4.523 -18.547 1.00 0.00 C ATOM 970 C ILE A 69 -12.672 4.500 -19.446 1.00 0.00 C ATOM 971 O ILE A 69 -13.815 4.562 -18.963 1.00 0.00 O ATOM 972 CB ILE A 69 -11.257 3.117 -17.856 1.00 0.00 C ATOM 973 CG1 ILE A 69 -9.958 3.057 -17.026 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.231 1.995 -18.891 1.00 0.00 C ATOM 975 CD1 ILE A 69 -10.003 3.754 -15.680 1.00 0.00 C ATOM 0 H ILE A 69 -12.497 5.554 -17.086 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.533 4.689 -19.098 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.106 2.982 -17.186 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.701 2.010 -16.864 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.152 3.496 -17.615 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.091 1.039 -18.387 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.174 1.982 -19.438 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.410 2.162 -19.588 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.038 3.649 -15.183 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.223 4.812 -15.825 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.780 3.303 -15.063 1.00 0.00 H new ATOM 987 N LEU A 70 -12.451 4.468 -20.727 1.00 0.00 N ATOM 988 CA LEU A 70 -13.516 4.490 -21.670 1.00 0.00 C ATOM 989 C LEU A 70 -14.074 3.112 -21.821 1.00 0.00 C ATOM 990 O LEU A 70 -13.383 2.118 -21.581 1.00 0.00 O ATOM 991 CB LEU A 70 -13.076 5.056 -23.034 1.00 0.00 C ATOM 992 CG LEU A 70 -12.743 6.568 -23.116 1.00 0.00 C ATOM 993 CD1 LEU A 70 -11.540 6.960 -22.275 1.00 0.00 C ATOM 994 CD2 LEU A 70 -12.537 7.000 -24.554 1.00 0.00 C ATOM 0 H LEU A 70 -11.521 4.426 -21.143 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.290 5.158 -21.291 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.196 4.501 -23.359 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.867 4.848 -23.754 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.605 7.091 -22.702 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.359 8.030 -22.375 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.734 6.721 -21.229 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.663 6.410 -22.616 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.305 8.065 -24.584 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.712 6.436 -24.989 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.446 6.811 -25.125 1.00 0.00 H new ATOM 1006 N THR A 71 -15.275 3.054 -22.272 1.00 0.00 N ATOM 1007 CA THR A 71 -16.036 1.819 -22.374 1.00 0.00 C ATOM 1008 C THR A 71 -15.435 0.845 -23.392 1.00 0.00 C ATOM 1009 O THR A 71 -15.658 -0.371 -23.327 1.00 0.00 O ATOM 1010 CB THR A 71 -17.472 2.151 -22.751 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.443 3.053 -23.864 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.196 2.807 -21.582 1.00 0.00 C ATOM 0 H THR A 71 -15.787 3.875 -22.594 1.00 0.00 H new ATOM 0 HA THR A 71 -16.003 1.322 -21.404 1.00 0.00 H new ATOM 0 HB THR A 71 -18.004 1.235 -23.010 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.360 3.280 -24.125 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.221 3.037 -21.872 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.203 2.127 -20.731 1.00 0.00 H new ATOM 0 HG23 THR A 71 -17.682 3.728 -21.306 1.00 0.00 H new ATOM 1020 N ASN A 72 -14.645 1.371 -24.300 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.007 0.549 -25.316 1.00 0.00 C ATOM 1022 C ASN A 72 -12.660 0.048 -24.832 1.00 0.00 C ATOM 1023 O ASN A 72 -11.919 -0.572 -25.577 1.00 0.00 O ATOM 1024 CB ASN A 72 -13.861 1.295 -26.656 1.00 0.00 C ATOM 1025 CG ASN A 72 -15.199 1.641 -27.299 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -15.767 0.842 -28.041 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -15.689 2.827 -27.064 1.00 0.00 N ATOM 0 H ASN A 72 -14.425 2.365 -24.360 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.656 -0.309 -25.492 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.295 2.212 -26.494 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.282 0.681 -27.345 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.566 3.112 -27.501 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.196 3.469 -26.444 1.00 0.00 H new ATOM 1034 N GLY A 73 -12.338 0.343 -23.579 1.00 0.00 N ATOM 1035 CA GLY A 73 -11.114 -0.132 -23.001 1.00 0.00 C ATOM 1036 C GLY A 73 -9.982 0.806 -23.274 1.00 0.00 C ATOM 1037 O GLY A 73 -8.823 0.426 -23.216 1.00 0.00 O ATOM 0 H GLY A 73 -12.914 0.908 -22.955 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.240 -0.250 -21.925 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.878 -1.117 -23.404 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.311 2.036 -23.579 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.317 3.005 -23.867 1.00 0.00 C ATOM 1043 C LYS A 74 -8.977 3.755 -22.601 1.00 0.00 C ATOM 1044 O LYS A 74 -9.865 4.089 -21.813 1.00 0.00 O ATOM 1045 CB LYS A 74 -9.773 3.953 -24.982 1.00 0.00 C ATOM 1046 CG LYS A 74 -10.089 3.256 -26.307 1.00 0.00 C ATOM 1047 CD LYS A 74 -8.862 2.558 -26.892 1.00 0.00 C ATOM 1048 CE LYS A 74 -9.197 1.798 -28.175 1.00 0.00 C ATOM 1049 NZ LYS A 74 -9.677 2.680 -29.260 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.270 2.379 -23.631 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.420 2.504 -24.231 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.660 4.491 -24.647 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.995 4.697 -25.152 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.883 2.525 -26.152 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.465 3.988 -27.022 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.088 3.297 -27.099 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.453 1.866 -26.156 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.311 1.262 -28.515 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.959 1.049 -27.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.791 2.126 -30.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.592 3.095 -28.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.986 3.440 -29.421 1.00 0.00 H new ATOM 1063 N GLN A 75 -7.717 4.027 -22.421 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.212 4.662 -21.203 1.00 0.00 C ATOM 1065 C GLN A 75 -7.103 6.178 -21.361 1.00 0.00 C ATOM 1066 O GLN A 75 -6.279 6.829 -20.709 1.00 0.00 O ATOM 1067 CB GLN A 75 -5.872 4.048 -20.810 1.00 0.00 C ATOM 1068 CG GLN A 75 -5.949 2.560 -20.489 1.00 0.00 C ATOM 1069 CD GLN A 75 -4.614 1.958 -20.080 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -3.536 2.471 -20.604 1.00 0.00 O flip ATOM 1071 NE2 GLN A 75 -4.565 1.017 -19.299 1.00 0.00 N flip ATOM 0 H GLN A 75 -6.994 3.820 -23.110 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.927 4.478 -20.401 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.161 4.199 -21.623 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -5.481 4.578 -19.942 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.669 2.407 -19.685 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.327 2.027 -21.362 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.425 0.636 -18.905 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.664 0.614 -19.042 1.00 0.00 H new ATOM 1080 N ALA A 76 -7.965 6.708 -22.216 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.137 8.142 -22.478 1.00 0.00 C ATOM 1082 C ALA A 76 -6.993 8.789 -23.278 1.00 0.00 C ATOM 1083 O ALA A 76 -5.807 8.461 -23.093 1.00 0.00 O ATOM 1084 CB ALA A 76 -8.434 8.928 -21.192 1.00 0.00 C ATOM 0 H ALA A 76 -8.594 6.131 -22.774 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.011 8.201 -23.127 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.554 9.985 -21.431 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.351 8.552 -20.739 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.607 8.806 -20.492 1.00 0.00 H new ATOM 1090 N PRO A 77 -7.361 9.696 -24.226 1.00 0.00 N ATOM 1091 CA PRO A 77 -6.403 10.502 -24.996 1.00 0.00 C ATOM 1092 C PRO A 77 -5.449 11.251 -24.079 1.00 0.00 C ATOM 1093 O PRO A 77 -5.823 11.659 -22.977 1.00 0.00 O ATOM 1094 CB PRO A 77 -7.298 11.508 -25.712 1.00 0.00 C ATOM 1095 CG PRO A 77 -8.598 10.820 -25.859 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.755 9.978 -24.635 1.00 0.00 C ATOM 0 HA PRO A 77 -5.787 9.894 -25.658 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.400 12.427 -25.135 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.885 11.785 -26.682 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.413 11.539 -25.946 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.616 10.207 -26.760 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.303 10.504 -23.854 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.304 9.061 -24.847 1.00 0.00 H new ATOM 1104 N ASP A 78 -4.246 11.461 -24.541 1.00 0.00 N ATOM 1105 CA ASP A 78 -3.206 12.093 -23.731 1.00 0.00 C ATOM 1106 C ASP A 78 -3.498 13.559 -23.518 1.00 0.00 C ATOM 1107 O ASP A 78 -3.114 14.145 -22.513 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.834 11.920 -24.376 1.00 0.00 C ATOM 1109 CG ASP A 78 -1.514 10.480 -24.659 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -1.516 9.660 -23.724 1.00 0.00 O ATOM 1111 OD2 ASP A 78 -1.282 10.135 -25.842 1.00 0.00 O1- ATOM 0 H ASP A 78 -3.947 11.205 -25.482 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.199 11.599 -22.760 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.798 12.487 -25.306 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.071 12.337 -23.719 1.00 0.00 H new ATOM 1116 N TRP A 79 -4.204 14.128 -24.459 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.589 15.520 -24.414 1.00 0.00 C ATOM 1118 C TRP A 79 -5.864 15.713 -23.605 1.00 0.00 C ATOM 1119 O TRP A 79 -6.251 16.827 -23.309 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.749 16.073 -25.840 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.658 15.265 -26.715 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -5.271 14.316 -27.580 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -7.091 15.332 -26.805 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -6.350 13.781 -28.219 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -7.482 14.388 -27.762 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -8.074 16.096 -26.174 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.808 14.181 -28.107 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -9.393 15.890 -26.515 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.746 14.937 -27.474 1.00 0.00 C ATOM 0 H TRP A 79 -4.533 13.635 -25.289 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.798 16.079 -23.914 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -5.131 17.092 -25.781 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.766 16.128 -26.309 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -4.247 14.017 -27.747 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -6.316 13.045 -28.925 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.806 16.834 -25.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -9.086 13.448 -28.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -10.165 16.473 -26.034 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.789 14.797 -27.719 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.508 14.628 -23.251 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.710 14.701 -22.480 1.00 0.00 C ATOM 1142 C LEU A 80 -7.316 14.722 -21.022 1.00 0.00 C ATOM 1143 O LEU A 80 -6.859 13.712 -20.469 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.638 13.515 -22.785 1.00 0.00 C ATOM 1145 CG LEU A 80 -9.992 13.515 -22.062 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.816 14.729 -22.461 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -10.758 12.231 -22.343 1.00 0.00 C ATOM 0 H LEU A 80 -6.212 13.681 -23.490 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.265 15.604 -22.734 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.822 13.491 -23.859 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.113 12.594 -22.531 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.801 13.568 -20.990 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.771 14.709 -21.937 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.276 15.638 -22.196 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.992 14.712 -23.537 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.714 12.255 -21.819 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.934 12.139 -23.415 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.176 11.377 -21.996 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.443 15.862 -20.424 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.046 16.054 -19.068 1.00 0.00 C ATOM 1161 C ALA A 81 -8.262 16.059 -18.204 1.00 0.00 C ATOM 1162 O ALA A 81 -9.321 16.507 -18.630 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.275 17.356 -18.924 1.00 0.00 C ATOM 0 H ALA A 81 -7.830 16.695 -20.869 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.389 15.241 -18.758 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.978 17.490 -17.884 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.386 17.324 -19.554 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.907 18.189 -19.231 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.129 15.554 -17.023 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.225 15.486 -16.100 1.00 0.00 C ATOM 1171 C ALA A 82 -8.754 15.849 -14.719 1.00 0.00 C ATOM 1172 O ALA A 82 -7.628 15.499 -14.326 1.00 0.00 O ATOM 1173 CB ALA A 82 -9.843 14.092 -16.097 1.00 0.00 C ATOM 0 H ALA A 82 -7.254 15.173 -16.664 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.989 16.197 -16.415 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.672 14.063 -15.390 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.209 13.854 -17.096 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.090 13.361 -15.803 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.566 16.573 -14.013 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.289 16.926 -12.649 1.00 0.00 C ATOM 1181 C GLU A 83 -10.565 16.812 -11.829 1.00 0.00 C ATOM 1182 O GLU A 83 -11.661 17.142 -12.324 1.00 0.00 O ATOM 1183 CB GLU A 83 -8.624 18.305 -12.546 1.00 0.00 C ATOM 1184 CG GLU A 83 -9.380 19.437 -13.196 1.00 0.00 C ATOM 1185 CD GLU A 83 -8.567 20.704 -13.219 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -7.753 20.878 -14.144 1.00 0.00 O1- ATOM 1187 OE2 GLU A 83 -8.709 21.536 -12.316 1.00 0.00 O ATOM 0 H GLU A 83 -10.449 16.941 -14.368 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.564 16.226 -12.233 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.482 18.543 -11.492 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.633 18.246 -12.996 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.649 19.158 -14.215 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.311 19.611 -12.656 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.455 16.264 -10.611 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.596 15.994 -9.739 1.00 0.00 C ATOM 1196 C PRO A 84 -12.321 17.251 -9.288 1.00 0.00 C ATOM 1197 O PRO A 84 -11.697 18.253 -8.901 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.951 15.267 -8.548 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.554 15.742 -8.544 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.194 15.825 -9.979 1.00 0.00 C ATOM 0 HA PRO A 84 -12.369 15.418 -10.247 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.456 15.509 -7.613 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -11.003 14.185 -8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.464 16.712 -8.054 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.901 15.053 -8.009 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.386 16.536 -10.152 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.861 14.863 -10.368 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.618 17.209 -9.363 1.00 0.00 N ATOM 1209 CA TYR A 85 -14.428 18.287 -8.929 1.00 0.00 C ATOM 1210 C TYR A 85 -15.042 17.917 -7.579 1.00 0.00 C ATOM 1211 O TYR A 85 -16.137 17.302 -7.540 1.00 0.00 O ATOM 1212 CB TYR A 85 -15.504 18.625 -9.977 1.00 0.00 C ATOM 1213 CG TYR A 85 -16.438 19.749 -9.579 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -16.065 21.078 -9.712 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -17.688 19.471 -9.060 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -16.922 22.094 -9.332 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -18.543 20.472 -8.680 1.00 0.00 C ATOM 1218 CZ TYR A 85 -18.160 21.781 -8.814 1.00 0.00 C ATOM 1219 OH TYR A 85 -19.025 22.784 -8.426 1.00 0.00 O ATOM 1220 OXT TYR A 85 -14.416 18.207 -6.543 1.00 0.00 O1- ATOM 0 H TYR A 85 -14.140 16.414 -9.732 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.822 19.185 -8.810 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -15.011 18.893 -10.912 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -16.095 17.731 -10.173 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -15.094 21.322 -10.117 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.998 18.442 -8.951 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -16.623 23.126 -9.440 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.515 20.230 -8.276 1.00 0.00 H new ATOM 0 HH TYR A 85 -19.854 22.387 -8.085 1.00 0.00 H new