USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 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 44 ASN : amide:sc= -10.1! C(o=-15!,f=-24!) USER MOD Set 1.2: A 46 ASN :FLIP amide:sc= -4.53! C(o=-19!,f=-15!) USER MOD Single : A 17 GLN : amide:sc= -8.55! C(o=-8.6!,f=-18!) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.149 F(o=-1.4!,f=-0.15) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc=-0.00064 F(o=-1,f=-0.00064) USER MOD Single : A 23 GLN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 28 THR OG1 : rot -13:sc= -0.814! USER MOD Single : A 31 ASN :FLIP amide:sc= 0.35 F(o=-2!,f=0.35) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 37 GLN :FLIP amide:sc=-0.00686 F(o=-1,f=-0.0069) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 170:sc= -2.57! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0792 X(o=-0.079,f=-0.0049) USER MOD Single : A 109 SER OG : rot -43:sc= 0.634 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 250 N GLN A 17 -41.038 -59.731 -1.221 1.00 0.00 N ATOM 251 CA GLN A 17 -41.476 -58.345 -1.111 1.00 0.00 C ATOM 252 C GLN A 17 -40.544 -57.571 -0.187 1.00 0.00 C ATOM 253 O GLN A 17 -40.205 -56.423 -0.452 1.00 0.00 O ATOM 254 CB GLN A 17 -42.907 -58.279 -0.568 1.00 0.00 C ATOM 255 CG GLN A 17 -43.225 -56.853 -0.120 1.00 0.00 C ATOM 256 CD GLN A 17 -42.669 -56.610 1.281 1.00 0.00 C ATOM 257 OE1 GLN A 17 -41.849 -55.715 1.481 1.00 0.00 O ATOM 258 NE2 GLN A 17 -43.068 -57.360 2.271 1.00 0.00 N ATOM 0 HA GLN A 17 -41.451 -57.897 -2.104 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -43.612 -58.594 -1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -43.020 -58.967 0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -42.793 -56.138 -0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -44.303 -56.693 -0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -43.748 -58.102 2.107 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -42.700 -57.204 3.209 1.00 0.00 H new ATOM 267 N GLN A 18 -40.130 -58.211 0.898 1.00 0.00 N ATOM 268 CA GLN A 18 -39.242 -57.567 1.858 1.00 0.00 C ATOM 269 C GLN A 18 -38.125 -56.808 1.149 1.00 0.00 C ATOM 270 O GLN A 18 -37.971 -55.601 1.333 1.00 0.00 O ATOM 271 CB GLN A 18 -38.631 -58.618 2.786 1.00 0.00 C ATOM 272 CG GLN A 18 -39.692 -59.118 3.769 1.00 0.00 C ATOM 273 CD GLN A 18 -39.837 -58.132 4.922 1.00 0.00 C ATOM 274 OE1 GLN A 18 -38.780 -57.512 5.372 1.00 0.00 O flip ATOM 275 NE2 GLN A 18 -40.940 -57.919 5.425 1.00 0.00 N flip ATOM 0 H GLN A 18 -40.392 -59.168 1.135 1.00 0.00 H new ATOM 0 HA GLN A 18 -39.830 -56.857 2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -38.242 -59.451 2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -37.789 -58.191 3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -40.647 -59.236 3.258 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -39.412 -60.100 4.151 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -41.764 -58.405 5.071 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -41.030 -57.257 6.195 1.00 0.00 H new ATOM 284 N THR A 19 -37.345 -57.518 0.344 1.00 0.00 N ATOM 285 CA THR A 19 -36.242 -56.894 -0.378 1.00 0.00 C ATOM 286 C THR A 19 -36.766 -56.021 -1.507 1.00 0.00 C ATOM 287 O THR A 19 -36.192 -54.985 -1.836 1.00 0.00 O ATOM 288 CB THR A 19 -35.309 -57.981 -0.928 1.00 0.00 C ATOM 289 OG1 THR A 19 -33.968 -57.669 -0.582 1.00 0.00 O ATOM 290 CG2 THR A 19 -35.434 -58.079 -2.453 1.00 0.00 C ATOM 0 H THR A 19 -37.453 -58.518 0.175 1.00 0.00 H new ATOM 0 HA THR A 19 -35.684 -56.257 0.308 1.00 0.00 H new ATOM 0 HB THR A 19 -35.592 -58.939 -0.493 1.00 0.00 H new ATOM 0 HG1 THR A 19 -33.370 -58.363 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 19 -34.765 -58.855 -2.824 1.00 0.00 H new ATOM 0 HG22 THR A 19 -36.461 -58.328 -2.719 1.00 0.00 H new ATOM 0 HG23 THR A 19 -35.165 -57.123 -2.902 1.00 0.00 H new ATOM 298 N PHE A 20 -37.856 -56.466 -2.094 1.00 0.00 N ATOM 299 CA PHE A 20 -38.480 -55.749 -3.199 1.00 0.00 C ATOM 300 C PHE A 20 -38.695 -54.275 -2.853 1.00 0.00 C ATOM 301 O PHE A 20 -38.159 -53.391 -3.521 1.00 0.00 O ATOM 302 CB PHE A 20 -39.818 -56.404 -3.536 1.00 0.00 C ATOM 303 CG PHE A 20 -40.147 -56.184 -4.991 1.00 0.00 C ATOM 304 CD1 PHE A 20 -40.222 -54.884 -5.509 1.00 0.00 C ATOM 305 CD2 PHE A 20 -40.386 -57.283 -5.822 1.00 0.00 C ATOM 306 CE1 PHE A 20 -40.535 -54.687 -6.858 1.00 0.00 C ATOM 307 CE2 PHE A 20 -40.698 -57.086 -7.171 1.00 0.00 C ATOM 308 CZ PHE A 20 -40.773 -55.789 -7.689 1.00 0.00 C ATOM 0 H PHE A 20 -38.335 -57.326 -1.827 1.00 0.00 H new ATOM 0 HA PHE A 20 -37.815 -55.798 -4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -39.774 -57.472 -3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -40.605 -55.986 -2.909 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -40.038 -54.035 -4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -40.330 -58.285 -5.422 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -40.593 -53.686 -7.259 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -40.881 -57.935 -7.813 1.00 0.00 H new ATOM 0 HZ PHE A 20 -41.015 -55.637 -8.731 1.00 0.00 H new ATOM 318 N LEU A 21 -39.478 -54.012 -1.811 1.00 0.00 N ATOM 319 CA LEU A 21 -39.745 -52.632 -1.404 1.00 0.00 C ATOM 320 C LEU A 21 -38.465 -51.978 -0.897 1.00 0.00 C ATOM 321 O LEU A 21 -38.131 -50.859 -1.286 1.00 0.00 O ATOM 322 CB LEU A 21 -40.820 -52.577 -0.310 1.00 0.00 C ATOM 323 CG LEU A 21 -41.833 -53.705 -0.516 1.00 0.00 C ATOM 324 CD1 LEU A 21 -42.987 -53.556 0.479 1.00 0.00 C ATOM 325 CD2 LEU A 21 -42.386 -53.663 -1.943 1.00 0.00 C ATOM 0 H LEU A 21 -39.934 -54.723 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 21 -40.111 -52.089 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -40.356 -52.668 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -41.327 -51.612 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 21 -41.332 -54.659 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -43.705 -54.362 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -42.599 -53.603 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -43.480 -52.597 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -43.106 -54.470 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -42.878 -52.706 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -41.568 -53.783 -2.654 1.00 0.00 H new ATOM 337 N ASN A 22 -37.746 -52.687 -0.032 1.00 0.00 N ATOM 338 CA ASN A 22 -36.499 -52.163 0.509 1.00 0.00 C ATOM 339 C ASN A 22 -35.621 -51.631 -0.617 1.00 0.00 C ATOM 340 O ASN A 22 -35.020 -50.562 -0.502 1.00 0.00 O ATOM 341 CB ASN A 22 -35.752 -53.261 1.267 1.00 0.00 C ATOM 342 CG ASN A 22 -34.478 -52.691 1.882 1.00 0.00 C ATOM 343 OD1 ASN A 22 -34.451 -51.443 2.265 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -33.482 -53.401 2.018 1.00 0.00 N flip ATOM 0 H ASN A 22 -38.002 -53.615 0.305 1.00 0.00 H new ATOM 0 HA ASN A 22 -36.732 -51.349 1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -36.390 -53.675 2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -35.505 -54.079 0.590 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -33.506 -54.376 1.718 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -32.633 -53.015 2.431 1.00 0.00 H new ATOM 351 N GLN A 23 -35.559 -52.383 -1.710 1.00 0.00 N ATOM 352 CA GLN A 23 -34.758 -51.977 -2.857 1.00 0.00 C ATOM 353 C GLN A 23 -35.299 -50.677 -3.436 1.00 0.00 C ATOM 354 O GLN A 23 -34.562 -49.705 -3.589 1.00 0.00 O ATOM 355 CB GLN A 23 -34.786 -53.066 -3.931 1.00 0.00 C ATOM 356 CG GLN A 23 -33.880 -54.230 -3.515 1.00 0.00 C ATOM 357 CD GLN A 23 -32.965 -54.618 -4.671 1.00 0.00 C ATOM 358 OE1 GLN A 23 -33.060 -55.730 -5.192 1.00 0.00 O ATOM 359 NE2 GLN A 23 -32.078 -53.765 -5.106 1.00 0.00 N ATOM 0 H GLN A 23 -36.050 -53.270 -1.825 1.00 0.00 H new ATOM 0 HA GLN A 23 -33.730 -51.825 -2.529 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -35.806 -53.421 -4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -34.453 -52.657 -4.885 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -33.284 -53.945 -2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -34.487 -55.085 -3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -32.001 -52.845 -4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -31.462 -54.019 -5.879 1.00 0.00 H new ATOM 368 N LEU A 24 -36.593 -50.663 -3.747 1.00 0.00 N ATOM 369 CA LEU A 24 -37.215 -49.468 -4.300 1.00 0.00 C ATOM 370 C LEU A 24 -36.830 -48.247 -3.475 1.00 0.00 C ATOM 371 O LEU A 24 -36.815 -47.126 -3.975 1.00 0.00 O ATOM 372 CB LEU A 24 -38.732 -49.622 -4.315 1.00 0.00 C ATOM 373 CG LEU A 24 -39.135 -50.547 -5.467 1.00 0.00 C ATOM 374 CD1 LEU A 24 -40.532 -51.117 -5.217 1.00 0.00 C ATOM 375 CD2 LEU A 24 -39.135 -49.758 -6.778 1.00 0.00 C ATOM 0 H LEU A 24 -37.223 -51.456 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 24 -36.862 -49.334 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -39.077 -50.033 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -39.207 -48.648 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 24 -38.421 -51.368 -5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -40.810 -51.774 -6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -40.532 -51.684 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -41.251 -50.301 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -39.422 -50.416 -7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -39.846 -48.935 -6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -38.137 -49.360 -6.963 1.00 0.00 H new ATOM 387 N ARG A 25 -36.516 -48.479 -2.210 1.00 0.00 N ATOM 388 CA ARG A 25 -36.122 -47.397 -1.317 1.00 0.00 C ATOM 389 C ARG A 25 -34.628 -47.114 -1.449 1.00 0.00 C ATOM 390 O ARG A 25 -34.148 -46.060 -1.037 1.00 0.00 O ATOM 391 CB ARG A 25 -36.435 -47.778 0.133 1.00 0.00 C ATOM 392 CG ARG A 25 -37.035 -46.572 0.860 1.00 0.00 C ATOM 393 CD ARG A 25 -36.942 -46.773 2.377 1.00 0.00 C ATOM 394 NE ARG A 25 -38.218 -47.254 2.898 1.00 0.00 N ATOM 395 CZ ARG A 25 -38.344 -48.471 3.425 1.00 0.00 C ATOM 396 NH1 ARG A 25 -37.313 -49.272 3.508 1.00 0.00 N ATOM 397 NH2 ARG A 25 -39.507 -48.867 3.863 1.00 0.00 N ATOM 0 H ARG A 25 -36.526 -49.403 -1.778 1.00 0.00 H new ATOM 0 HA ARG A 25 -36.681 -46.503 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -37.133 -48.615 0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -35.526 -48.106 0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -36.506 -45.664 0.572 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -38.076 -46.441 0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -36.153 -47.488 2.609 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -36.674 -45.834 2.860 1.00 0.00 H new ATOM 0 HE ARG A 25 -39.034 -46.643 2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -36.401 -48.967 3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -37.421 -50.202 3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -40.314 -48.246 3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -39.610 -49.798 4.268 1.00 0.00 H new ATOM 411 N GLU A 26 -33.895 -48.082 -1.991 1.00 0.00 N ATOM 412 CA GLU A 26 -32.446 -47.949 -2.130 1.00 0.00 C ATOM 413 C GLU A 26 -32.014 -47.240 -3.421 1.00 0.00 C ATOM 414 O GLU A 26 -31.303 -46.236 -3.364 1.00 0.00 O ATOM 415 CB GLU A 26 -31.801 -49.335 -2.082 1.00 0.00 C ATOM 416 CG GLU A 26 -30.367 -49.211 -1.566 1.00 0.00 C ATOM 417 CD GLU A 26 -29.573 -50.459 -1.932 1.00 0.00 C ATOM 418 OE1 GLU A 26 -29.694 -50.906 -3.062 1.00 0.00 O ATOM 419 OE2 GLU A 26 -28.855 -50.952 -1.077 1.00 0.00 O ATOM 0 H GLU A 26 -34.276 -48.962 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 26 -32.111 -47.327 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -32.377 -49.994 -1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -31.804 -49.784 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -29.892 -48.329 -1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -30.371 -49.076 -0.484 1.00 0.00 H new ATOM 426 N ILE A 27 -32.394 -47.776 -4.583 1.00 0.00 N ATOM 427 CA ILE A 27 -31.966 -47.173 -5.851 1.00 0.00 C ATOM 428 C ILE A 27 -32.572 -45.810 -6.088 1.00 0.00 C ATOM 429 O ILE A 27 -31.859 -44.847 -6.374 1.00 0.00 O ATOM 430 CB ILE A 27 -32.291 -48.055 -7.071 1.00 0.00 C ATOM 431 CG1 ILE A 27 -33.798 -48.303 -7.232 1.00 0.00 C ATOM 432 CG2 ILE A 27 -31.588 -49.386 -6.945 1.00 0.00 C ATOM 433 CD1 ILE A 27 -34.350 -49.087 -6.041 1.00 0.00 C ATOM 0 H ILE A 27 -32.982 -48.605 -4.675 1.00 0.00 H new ATOM 0 HA ILE A 27 -30.885 -47.076 -5.749 1.00 0.00 H new ATOM 0 HB ILE A 27 -31.942 -47.517 -7.953 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -34.320 -47.350 -7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -33.984 -48.854 -8.154 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -31.822 -50.005 -7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -30.511 -49.225 -6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -31.923 -49.890 -6.038 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -35.419 -49.251 -6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -33.842 -50.049 -5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -34.183 -48.521 -5.124 1.00 0.00 H new ATOM 445 N THR A 28 -33.882 -45.738 -6.035 1.00 0.00 N ATOM 446 CA THR A 28 -34.545 -44.494 -6.318 1.00 0.00 C ATOM 447 C THR A 28 -34.680 -43.630 -5.063 1.00 0.00 C ATOM 448 O THR A 28 -35.135 -42.489 -5.124 1.00 0.00 O ATOM 449 CB THR A 28 -35.886 -44.780 -6.988 1.00 0.00 C ATOM 450 OG1 THR A 28 -36.625 -43.575 -7.124 1.00 0.00 O ATOM 451 CG2 THR A 28 -36.687 -45.793 -6.170 1.00 0.00 C ATOM 0 H THR A 28 -34.499 -46.516 -5.802 1.00 0.00 H new ATOM 0 HA THR A 28 -33.939 -43.910 -7.011 1.00 0.00 H new ATOM 0 HB THR A 28 -35.700 -45.200 -7.976 1.00 0.00 H new ATOM 0 HG1 THR A 28 -36.208 -42.873 -6.582 1.00 0.00 H new ATOM 0 HG21 THR A 28 -37.640 -45.985 -6.662 1.00 0.00 H new ATOM 0 HG22 THR A 28 -36.125 -46.723 -6.092 1.00 0.00 H new ATOM 0 HG23 THR A 28 -36.868 -45.393 -5.172 1.00 0.00 H new ATOM 459 N GLY A 29 -34.226 -44.175 -3.938 1.00 0.00 N ATOM 460 CA GLY A 29 -34.232 -43.450 -2.668 1.00 0.00 C ATOM 461 C GLY A 29 -35.628 -43.037 -2.204 1.00 0.00 C ATOM 462 O GLY A 29 -35.760 -42.352 -1.190 1.00 0.00 O ATOM 0 H GLY A 29 -33.847 -45.120 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -33.774 -44.074 -1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -33.612 -42.558 -2.766 1.00 0.00 H new ATOM 466 N ILE A 30 -36.670 -43.444 -2.919 1.00 0.00 N ATOM 467 CA ILE A 30 -38.022 -43.077 -2.504 1.00 0.00 C ATOM 468 C ILE A 30 -38.358 -43.745 -1.173 1.00 0.00 C ATOM 469 O ILE A 30 -38.236 -44.961 -1.031 1.00 0.00 O ATOM 470 CB ILE A 30 -39.043 -43.484 -3.565 1.00 0.00 C ATOM 471 CG1 ILE A 30 -38.654 -42.861 -4.908 1.00 0.00 C ATOM 472 CG2 ILE A 30 -40.428 -42.976 -3.154 1.00 0.00 C ATOM 473 CD1 ILE A 30 -38.497 -41.348 -4.744 1.00 0.00 C ATOM 0 H ILE A 30 -36.612 -44.012 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 30 -38.064 -41.995 -2.383 1.00 0.00 H new ATOM 0 HB ILE A 30 -39.063 -44.570 -3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -37.722 -43.297 -5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -39.416 -43.079 -5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -41.160 -43.264 -3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -40.705 -43.412 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -40.406 -41.890 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -38.220 -40.905 -5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -39.440 -40.919 -4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -37.719 -41.140 -4.009 1.00 0.00 H new ATOM 485 N ASN A 31 -38.767 -42.938 -0.196 1.00 0.00 N ATOM 486 CA ASN A 31 -39.102 -43.459 1.126 1.00 0.00 C ATOM 487 C ASN A 31 -40.613 -43.479 1.346 1.00 0.00 C ATOM 488 O ASN A 31 -41.085 -43.339 2.475 1.00 0.00 O ATOM 489 CB ASN A 31 -38.438 -42.601 2.209 1.00 0.00 C ATOM 490 CG ASN A 31 -37.760 -41.389 1.577 1.00 0.00 C ATOM 491 OD1 ASN A 31 -38.486 -40.478 0.988 1.00 0.00 O flip ATOM 492 ND2 ASN A 31 -36.535 -41.268 1.622 1.00 0.00 N flip ATOM 0 H ASN A 31 -38.874 -41.928 -0.294 1.00 0.00 H new ATOM 0 HA ASN A 31 -38.732 -44.482 1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -39.185 -42.273 2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -37.704 -43.194 2.755 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -35.969 -41.980 2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -36.087 -40.455 1.199 1.00 0.00 H new ATOM 499 N ASP A 32 -41.366 -43.664 0.269 1.00 0.00 N ATOM 500 CA ASP A 32 -42.822 -43.711 0.368 1.00 0.00 C ATOM 501 C ASP A 32 -43.300 -45.159 0.339 1.00 0.00 C ATOM 502 O ASP A 32 -43.584 -45.706 -0.725 1.00 0.00 O ATOM 503 CB ASP A 32 -43.455 -42.932 -0.787 1.00 0.00 C ATOM 504 CG ASP A 32 -43.416 -41.436 -0.492 1.00 0.00 C ATOM 505 OD1 ASP A 32 -42.633 -41.039 0.355 1.00 0.00 O ATOM 506 OD2 ASP A 32 -44.170 -40.709 -1.117 1.00 0.00 O ATOM 0 H ASP A 32 -40.999 -43.783 -0.675 1.00 0.00 H new ATOM 0 HA ASP A 32 -43.124 -43.254 1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -42.921 -43.142 -1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -44.486 -43.255 -0.933 1.00 0.00 H new ATOM 511 N THR A 33 -43.378 -45.773 1.517 1.00 0.00 N ATOM 512 CA THR A 33 -43.811 -47.163 1.624 1.00 0.00 C ATOM 513 C THR A 33 -45.155 -47.367 0.940 1.00 0.00 C ATOM 514 O THR A 33 -45.444 -48.448 0.426 1.00 0.00 O ATOM 515 CB THR A 33 -43.923 -47.560 3.098 1.00 0.00 C ATOM 516 OG1 THR A 33 -42.797 -47.065 3.807 1.00 0.00 O ATOM 517 CG2 THR A 33 -43.976 -49.085 3.221 1.00 0.00 C ATOM 0 H THR A 33 -43.148 -45.332 2.407 1.00 0.00 H new ATOM 0 HA THR A 33 -43.070 -47.791 1.129 1.00 0.00 H new ATOM 0 HB THR A 33 -44.834 -47.135 3.518 1.00 0.00 H new ATOM 0 HG1 THR A 33 -42.868 -47.317 4.751 1.00 0.00 H new ATOM 0 HG21 THR A 33 -44.056 -49.363 4.272 1.00 0.00 H new ATOM 0 HG22 THR A 33 -44.842 -49.464 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 33 -43.068 -49.516 2.800 1.00 0.00 H new ATOM 525 N GLN A 34 -45.972 -46.324 0.938 1.00 0.00 N ATOM 526 CA GLN A 34 -47.285 -46.399 0.316 1.00 0.00 C ATOM 527 C GLN A 34 -47.152 -46.537 -1.198 1.00 0.00 C ATOM 528 O GLN A 34 -47.736 -47.437 -1.803 1.00 0.00 O ATOM 529 CB GLN A 34 -48.084 -45.141 0.656 1.00 0.00 C ATOM 530 CG GLN A 34 -48.395 -45.124 2.154 1.00 0.00 C ATOM 531 CD GLN A 34 -48.892 -43.744 2.570 1.00 0.00 C ATOM 532 OE1 GLN A 34 -49.182 -42.861 1.654 1.00 0.00 O flip ATOM 533 NE2 GLN A 34 -49.018 -43.462 3.763 1.00 0.00 N flip ATOM 0 H GLN A 34 -45.751 -45.421 1.357 1.00 0.00 H new ATOM 0 HA GLN A 34 -47.807 -47.276 0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -47.517 -44.252 0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -49.010 -45.119 0.081 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -49.150 -45.876 2.385 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -47.502 -45.384 2.722 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -48.791 -44.154 4.477 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -49.350 -42.537 4.036 1.00 0.00 H new ATOM 542 N ILE A 35 -46.381 -45.641 -1.802 1.00 0.00 N ATOM 543 CA ILE A 35 -46.181 -45.672 -3.245 1.00 0.00 C ATOM 544 C ILE A 35 -45.240 -46.806 -3.638 1.00 0.00 C ATOM 545 O ILE A 35 -45.252 -47.264 -4.782 1.00 0.00 O ATOM 546 CB ILE A 35 -45.601 -44.339 -3.718 1.00 0.00 C ATOM 547 CG1 ILE A 35 -46.421 -43.192 -3.124 1.00 0.00 C ATOM 548 CG2 ILE A 35 -45.652 -44.271 -5.246 1.00 0.00 C ATOM 549 CD1 ILE A 35 -47.881 -43.330 -3.555 1.00 0.00 C ATOM 0 H ILE A 35 -45.888 -44.890 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 35 -47.147 -45.840 -3.721 1.00 0.00 H new ATOM 0 HB ILE A 35 -44.565 -44.254 -3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -46.349 -43.205 -2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -46.021 -42.235 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -45.238 -43.320 -5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -45.068 -45.090 -5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -46.686 -44.355 -5.580 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -48.464 -42.512 -3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -47.944 -43.295 -4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -48.277 -44.281 -3.199 1.00 0.00 H new ATOM 561 N LEU A 36 -44.425 -47.256 -2.689 1.00 0.00 N ATOM 562 CA LEU A 36 -43.485 -48.335 -2.964 1.00 0.00 C ATOM 563 C LEU A 36 -44.215 -49.668 -3.067 1.00 0.00 C ATOM 564 O LEU A 36 -44.237 -50.289 -4.131 1.00 0.00 O ATOM 565 CB LEU A 36 -42.428 -48.404 -1.857 1.00 0.00 C ATOM 566 CG LEU A 36 -41.040 -48.256 -2.479 1.00 0.00 C ATOM 567 CD1 LEU A 36 -40.817 -46.804 -2.911 1.00 0.00 C ATOM 568 CD2 LEU A 36 -39.973 -48.651 -1.457 1.00 0.00 C ATOM 0 H LEU A 36 -44.396 -46.896 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 36 -42.995 -48.132 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -42.598 -47.614 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -42.502 -49.353 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 36 -40.969 -48.907 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -39.826 -46.704 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -41.572 -46.523 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -40.894 -46.150 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -38.984 -48.544 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -40.048 -48.003 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -40.125 -49.687 -1.155 1.00 0.00 H new ATOM 580 N GLN A 37 -44.825 -50.099 -1.970 1.00 0.00 N ATOM 581 CA GLN A 37 -45.565 -51.353 -1.978 1.00 0.00 C ATOM 582 C GLN A 37 -46.547 -51.346 -3.139 1.00 0.00 C ATOM 583 O GLN A 37 -46.910 -52.393 -3.677 1.00 0.00 O ATOM 584 CB GLN A 37 -46.326 -51.525 -0.662 1.00 0.00 C ATOM 585 CG GLN A 37 -47.567 -50.630 -0.671 1.00 0.00 C ATOM 586 CD GLN A 37 -48.227 -50.642 0.702 1.00 0.00 C ATOM 587 OE1 GLN A 37 -47.484 -50.712 1.773 1.00 0.00 O flip ATOM 588 NE2 GLN A 37 -49.453 -50.585 0.803 1.00 0.00 N flip ATOM 0 H GLN A 37 -44.823 -49.607 -1.076 1.00 0.00 H new ATOM 0 HA GLN A 37 -44.866 -52.182 -2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -46.617 -52.567 -0.531 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -45.683 -51.265 0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -47.289 -49.611 -0.941 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -48.272 -50.979 -1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -50.032 -50.530 -0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -49.890 -50.592 1.725 1.00 0.00 H new ATOM 597 N GLN A 38 -46.964 -50.144 -3.518 1.00 0.00 N ATOM 598 CA GLN A 38 -47.901 -49.973 -4.620 1.00 0.00 C ATOM 599 C GLN A 38 -47.205 -50.218 -5.954 1.00 0.00 C ATOM 600 O GLN A 38 -47.846 -50.579 -6.941 1.00 0.00 O ATOM 601 CB GLN A 38 -48.476 -48.555 -4.602 1.00 0.00 C ATOM 602 CG GLN A 38 -49.853 -48.567 -3.937 1.00 0.00 C ATOM 603 CD GLN A 38 -50.494 -47.187 -4.050 1.00 0.00 C ATOM 604 OE1 GLN A 38 -50.668 -46.499 -3.045 1.00 0.00 O ATOM 605 NE2 GLN A 38 -50.857 -46.740 -5.221 1.00 0.00 N ATOM 0 H GLN A 38 -46.667 -49.273 -3.078 1.00 0.00 H new ATOM 0 HA GLN A 38 -48.708 -50.696 -4.501 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -47.806 -47.887 -4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -48.556 -48.171 -5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -50.490 -49.314 -4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -49.758 -48.849 -2.888 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -50.712 -47.312 -6.053 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -51.286 -45.818 -5.305 1.00 0.00 H new ATOM 614 N ALA A 39 -45.889 -50.019 -5.979 1.00 0.00 N ATOM 615 CA ALA A 39 -45.124 -50.222 -7.198 1.00 0.00 C ATOM 616 C ALA A 39 -44.975 -51.713 -7.478 1.00 0.00 C ATOM 617 O ALA A 39 -44.990 -52.140 -8.631 1.00 0.00 O ATOM 618 CB ALA A 39 -43.743 -49.571 -7.063 1.00 0.00 C ATOM 0 H ALA A 39 -45.338 -49.720 -5.174 1.00 0.00 H new ATOM 0 HA ALA A 39 -45.653 -49.759 -8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -43.176 -49.727 -7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -43.860 -48.502 -6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -43.209 -50.020 -6.225 1.00 0.00 H new ATOM 624 N LEU A 40 -44.844 -52.498 -6.413 1.00 0.00 N ATOM 625 CA LEU A 40 -44.705 -53.944 -6.550 1.00 0.00 C ATOM 626 C LEU A 40 -45.999 -54.555 -7.084 1.00 0.00 C ATOM 627 O LEU A 40 -45.984 -55.362 -8.012 1.00 0.00 O ATOM 628 CB LEU A 40 -44.374 -54.567 -5.191 1.00 0.00 C ATOM 629 CG LEU A 40 -44.598 -56.079 -5.250 1.00 0.00 C ATOM 630 CD1 LEU A 40 -43.799 -56.672 -6.412 1.00 0.00 C ATOM 631 CD2 LEU A 40 -44.129 -56.713 -3.939 1.00 0.00 C ATOM 0 H LEU A 40 -44.831 -52.160 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 40 -43.897 -54.149 -7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -43.339 -54.353 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -45.001 -54.127 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 40 -45.659 -56.282 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -43.960 -57.749 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -44.129 -56.221 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -42.738 -56.469 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -44.288 -57.791 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -43.068 -56.508 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -44.696 -56.293 -3.108 1.00 0.00 H new ATOM 643 N LYS A 41 -47.116 -54.163 -6.482 1.00 0.00 N ATOM 644 CA LYS A 41 -48.419 -54.677 -6.886 1.00 0.00 C ATOM 645 C LYS A 41 -48.714 -54.356 -8.348 1.00 0.00 C ATOM 646 O LYS A 41 -49.243 -55.192 -9.079 1.00 0.00 O ATOM 647 CB LYS A 41 -49.504 -54.066 -5.999 1.00 0.00 C ATOM 648 CG LYS A 41 -49.436 -54.696 -4.608 1.00 0.00 C ATOM 649 CD LYS A 41 -50.577 -55.703 -4.446 1.00 0.00 C ATOM 650 CE LYS A 41 -51.844 -54.966 -4.014 1.00 0.00 C ATOM 651 NZ LYS A 41 -53.036 -55.645 -4.597 1.00 0.00 N ATOM 0 H LYS A 41 -47.146 -53.492 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 41 -48.409 -55.761 -6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -49.367 -52.987 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -50.487 -54.235 -6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -48.476 -55.193 -4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -49.508 -53.923 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -50.750 -56.228 -5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -50.310 -56.456 -3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -51.916 -54.951 -2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -51.805 -53.928 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -53.899 -55.144 -4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -52.967 -55.637 -5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -53.075 -56.628 -4.260 1.00 0.00 H new ATOM 665 N ASP A 42 -48.382 -53.141 -8.766 1.00 0.00 N ATOM 666 CA ASP A 42 -48.633 -52.729 -10.140 1.00 0.00 C ATOM 667 C ASP A 42 -47.480 -53.136 -11.056 1.00 0.00 C ATOM 668 O ASP A 42 -47.617 -53.131 -12.279 1.00 0.00 O ATOM 669 CB ASP A 42 -48.828 -51.213 -10.196 1.00 0.00 C ATOM 670 CG ASP A 42 -49.968 -50.864 -11.148 1.00 0.00 C ATOM 671 OD1 ASP A 42 -49.793 -51.046 -12.342 1.00 0.00 O ATOM 672 OD2 ASP A 42 -50.997 -50.417 -10.669 1.00 0.00 O ATOM 0 H ASP A 42 -47.943 -52.431 -8.180 1.00 0.00 H new ATOM 0 HA ASP A 42 -49.537 -53.229 -10.488 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -49.047 -50.830 -9.199 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -47.907 -50.732 -10.527 1.00 0.00 H new ATOM 677 N SER A 43 -46.344 -53.478 -10.458 1.00 0.00 N ATOM 678 CA SER A 43 -45.170 -53.874 -11.232 1.00 0.00 C ATOM 679 C SER A 43 -45.305 -55.299 -11.763 1.00 0.00 C ATOM 680 O SER A 43 -44.777 -55.625 -12.826 1.00 0.00 O ATOM 681 CB SER A 43 -43.927 -53.798 -10.353 1.00 0.00 C ATOM 682 OG SER A 43 -42.956 -54.720 -10.829 1.00 0.00 O ATOM 0 H SER A 43 -46.210 -53.490 -9.447 1.00 0.00 H new ATOM 0 HA SER A 43 -45.085 -53.191 -12.078 1.00 0.00 H new ATOM 0 HB2 SER A 43 -43.521 -52.787 -10.365 1.00 0.00 H new ATOM 0 HB3 SER A 43 -44.185 -54.026 -9.319 1.00 0.00 H new ATOM 0 HG SER A 43 -42.103 -54.562 -10.373 1.00 0.00 H new ATOM 688 N ASN A 44 -46.006 -56.142 -11.015 1.00 0.00 N ATOM 689 CA ASN A 44 -46.192 -57.532 -11.419 1.00 0.00 C ATOM 690 C ASN A 44 -45.004 -58.392 -10.982 1.00 0.00 C ATOM 691 O ASN A 44 -44.858 -59.531 -11.424 1.00 0.00 O ATOM 692 CB ASN A 44 -46.380 -57.616 -12.940 1.00 0.00 C ATOM 693 CG ASN A 44 -45.085 -58.059 -13.618 1.00 0.00 C ATOM 694 OD1 ASN A 44 -43.997 -57.663 -13.201 1.00 0.00 O ATOM 695 ND2 ASN A 44 -45.141 -58.864 -14.643 1.00 0.00 N ATOM 0 H ASN A 44 -46.452 -55.892 -10.133 1.00 0.00 H new ATOM 0 HA ASN A 44 -47.086 -57.916 -10.928 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -47.179 -58.319 -13.175 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -46.686 -56.645 -13.328 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -44.281 -59.167 -15.101 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -46.044 -59.191 -14.986 1.00 0.00 H new ATOM 702 N GLY A 45 -44.167 -57.847 -10.100 1.00 0.00 N ATOM 703 CA GLY A 45 -43.007 -58.587 -9.601 1.00 0.00 C ATOM 704 C GLY A 45 -41.703 -58.146 -10.269 1.00 0.00 C ATOM 705 O GLY A 45 -40.679 -58.816 -10.140 1.00 0.00 O ATOM 0 H GLY A 45 -44.268 -56.906 -9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -42.926 -58.446 -8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -43.158 -59.653 -9.773 1.00 0.00 H new ATOM 709 N ASN A 46 -41.737 -57.018 -10.968 1.00 0.00 N ATOM 710 CA ASN A 46 -40.540 -56.503 -11.633 1.00 0.00 C ATOM 711 C ASN A 46 -40.023 -55.267 -10.896 1.00 0.00 C ATOM 712 O ASN A 46 -40.793 -54.368 -10.566 1.00 0.00 O ATOM 713 CB ASN A 46 -40.856 -56.171 -13.089 1.00 0.00 C ATOM 714 CG ASN A 46 -41.480 -57.382 -13.773 1.00 0.00 C ATOM 715 OD1 ASN A 46 -42.365 -57.204 -14.714 1.00 0.00 O flip ATOM 716 ND2 ASN A 46 -41.150 -58.520 -13.442 1.00 0.00 N flip ATOM 0 H ASN A 46 -42.571 -56.444 -11.090 1.00 0.00 H new ATOM 0 HA ASN A 46 -39.762 -57.266 -11.613 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -41.539 -55.323 -13.138 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -39.945 -55.877 -13.610 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -40.457 -58.656 -12.706 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -41.569 -59.327 -13.904 1.00 0.00 H new ATOM 723 N LEU A 47 -38.726 -55.243 -10.596 1.00 0.00 N ATOM 724 CA LEU A 47 -38.148 -54.120 -9.852 1.00 0.00 C ATOM 725 C LEU A 47 -37.737 -52.964 -10.760 1.00 0.00 C ATOM 726 O LEU A 47 -38.298 -51.875 -10.672 1.00 0.00 O ATOM 727 CB LEU A 47 -36.927 -54.582 -9.056 1.00 0.00 C ATOM 728 CG LEU A 47 -36.368 -53.400 -8.259 1.00 0.00 C ATOM 729 CD1 LEU A 47 -37.386 -52.968 -7.202 1.00 0.00 C ATOM 730 CD2 LEU A 47 -35.067 -53.815 -7.569 1.00 0.00 C ATOM 0 H LEU A 47 -38.062 -55.975 -10.851 1.00 0.00 H new ATOM 0 HA LEU A 47 -38.927 -53.761 -9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -37.203 -55.393 -8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -36.166 -54.974 -9.730 1.00 0.00 H new ATOM 0 HG LEU A 47 -36.171 -52.570 -8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -36.987 -52.127 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -38.313 -52.669 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -37.584 -53.800 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -34.671 -52.972 -7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -35.263 -54.647 -6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -34.339 -54.122 -8.320 1.00 0.00 H new ATOM 742 N GLU A 48 -36.759 -53.192 -11.631 1.00 0.00 N ATOM 743 CA GLU A 48 -36.310 -52.132 -12.525 1.00 0.00 C ATOM 744 C GLU A 48 -37.514 -51.455 -13.141 1.00 0.00 C ATOM 745 O GLU A 48 -37.477 -50.280 -13.511 1.00 0.00 O ATOM 746 CB GLU A 48 -35.425 -52.698 -13.630 1.00 0.00 C ATOM 747 CG GLU A 48 -33.965 -52.400 -13.298 1.00 0.00 C ATOM 748 CD GLU A 48 -33.045 -53.219 -14.197 1.00 0.00 C ATOM 749 OE1 GLU A 48 -33.500 -54.223 -14.718 1.00 0.00 O ATOM 750 OE2 GLU A 48 -31.899 -52.830 -14.351 1.00 0.00 O ATOM 0 H GLU A 48 -36.271 -54.082 -11.736 1.00 0.00 H new ATOM 0 HA GLU A 48 -35.729 -51.411 -11.950 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -35.578 -53.773 -13.722 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -35.691 -52.255 -14.590 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -33.764 -51.337 -13.430 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -33.767 -52.634 -12.252 1.00 0.00 H new ATOM 757 N LEU A 49 -38.586 -52.216 -13.222 1.00 0.00 N ATOM 758 CA LEU A 49 -39.828 -51.723 -13.771 1.00 0.00 C ATOM 759 C LEU A 49 -40.640 -51.054 -12.666 1.00 0.00 C ATOM 760 O LEU A 49 -41.368 -50.096 -12.917 1.00 0.00 O ATOM 761 CB LEU A 49 -40.579 -52.887 -14.410 1.00 0.00 C ATOM 762 CG LEU A 49 -42.086 -52.710 -14.264 1.00 0.00 C ATOM 763 CD1 LEU A 49 -42.793 -53.672 -15.224 1.00 0.00 C ATOM 764 CD2 LEU A 49 -42.497 -53.034 -12.829 1.00 0.00 C ATOM 0 H LEU A 49 -38.619 -53.187 -12.911 1.00 0.00 H new ATOM 0 HA LEU A 49 -39.643 -50.975 -14.541 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -40.318 -52.957 -15.466 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -40.272 -53.823 -13.943 1.00 0.00 H new ATOM 0 HG LEU A 49 -42.363 -51.682 -14.497 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -43.872 -53.554 -15.128 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -42.493 -53.450 -16.248 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -42.517 -54.698 -14.980 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -43.574 -52.908 -12.722 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -42.227 -54.064 -12.597 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -41.983 -52.361 -12.143 1.00 0.00 H new ATOM 776 N ALA A 50 -40.467 -51.529 -11.427 1.00 0.00 N ATOM 777 CA ALA A 50 -41.154 -50.919 -10.294 1.00 0.00 C ATOM 778 C ALA A 50 -40.472 -49.594 -9.986 1.00 0.00 C ATOM 779 O ALA A 50 -41.085 -48.535 -10.051 1.00 0.00 O ATOM 780 CB ALA A 50 -41.107 -51.822 -9.059 1.00 0.00 C ATOM 0 H ALA A 50 -39.868 -52.320 -11.190 1.00 0.00 H new ATOM 0 HA ALA A 50 -42.202 -50.767 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -41.628 -51.337 -8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -41.590 -52.773 -9.285 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -40.069 -52.000 -8.778 1.00 0.00 H new ATOM 786 N VAL A 51 -39.179 -49.651 -9.699 1.00 0.00 N ATOM 787 CA VAL A 51 -38.440 -48.435 -9.453 1.00 0.00 C ATOM 788 C VAL A 51 -38.855 -47.429 -10.501 1.00 0.00 C ATOM 789 O VAL A 51 -39.043 -46.245 -10.224 1.00 0.00 O ATOM 790 CB VAL A 51 -36.946 -48.711 -9.575 1.00 0.00 C ATOM 791 CG1 VAL A 51 -36.614 -49.116 -11.009 1.00 0.00 C ATOM 792 CG2 VAL A 51 -36.172 -47.455 -9.199 1.00 0.00 C ATOM 0 H VAL A 51 -38.635 -50.511 -9.633 1.00 0.00 H new ATOM 0 HA VAL A 51 -38.645 -48.056 -8.452 1.00 0.00 H new ATOM 0 HB VAL A 51 -36.667 -49.523 -8.904 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -35.545 -49.313 -11.093 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -37.170 -50.016 -11.271 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -36.889 -48.309 -11.688 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -35.103 -47.647 -9.285 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -36.449 -46.642 -9.870 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -36.409 -47.175 -8.173 1.00 0.00 H new ATOM 802 N ALA A 52 -39.012 -47.939 -11.712 1.00 0.00 N ATOM 803 CA ALA A 52 -39.424 -47.125 -12.832 1.00 0.00 C ATOM 804 C ALA A 52 -40.869 -46.650 -12.644 1.00 0.00 C ATOM 805 O ALA A 52 -41.244 -45.589 -13.128 1.00 0.00 O ATOM 806 CB ALA A 52 -39.281 -47.945 -14.106 1.00 0.00 C ATOM 0 H ALA A 52 -38.858 -48.921 -11.940 1.00 0.00 H new ATOM 0 HA ALA A 52 -38.793 -46.239 -12.900 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -39.588 -47.344 -14.962 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -38.241 -48.247 -14.229 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -39.911 -48.832 -14.040 1.00 0.00 H new ATOM 812 N PHE A 53 -41.678 -47.420 -11.918 1.00 0.00 N ATOM 813 CA PHE A 53 -43.059 -47.006 -11.673 1.00 0.00 C ATOM 814 C PHE A 53 -43.047 -45.671 -10.939 1.00 0.00 C ATOM 815 O PHE A 53 -43.970 -44.866 -11.067 1.00 0.00 O ATOM 816 CB PHE A 53 -43.808 -48.039 -10.824 1.00 0.00 C ATOM 817 CG PHE A 53 -44.899 -48.697 -11.636 1.00 0.00 C ATOM 818 CD1 PHE A 53 -44.570 -49.629 -12.628 1.00 0.00 C ATOM 819 CD2 PHE A 53 -46.241 -48.389 -11.385 1.00 0.00 C ATOM 820 CE1 PHE A 53 -45.581 -50.252 -13.368 1.00 0.00 C ATOM 821 CE2 PHE A 53 -47.253 -49.011 -12.128 1.00 0.00 C ATOM 822 CZ PHE A 53 -46.923 -49.943 -13.119 1.00 0.00 C ATOM 0 H PHE A 53 -41.411 -48.311 -11.499 1.00 0.00 H new ATOM 0 HA PHE A 53 -43.571 -46.917 -12.631 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -43.111 -48.794 -10.460 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -44.240 -47.555 -9.948 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -43.535 -49.867 -12.822 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -46.496 -47.672 -10.619 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -45.326 -50.972 -14.132 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -48.288 -48.771 -11.936 1.00 0.00 H new ATOM 0 HZ PHE A 53 -47.703 -50.423 -13.691 1.00 0.00 H new ATOM 832 N LEU A 54 -41.984 -45.451 -10.168 1.00 0.00 N ATOM 833 CA LEU A 54 -41.835 -44.218 -9.408 1.00 0.00 C ATOM 834 C LEU A 54 -41.315 -43.101 -10.308 1.00 0.00 C ATOM 835 O LEU A 54 -41.915 -42.029 -10.392 1.00 0.00 O ATOM 836 CB LEU A 54 -40.867 -44.447 -8.243 1.00 0.00 C ATOM 837 CG LEU A 54 -41.489 -45.454 -7.261 1.00 0.00 C ATOM 838 CD1 LEU A 54 -41.566 -46.835 -7.912 1.00 0.00 C ATOM 839 CD2 LEU A 54 -40.636 -45.550 -5.993 1.00 0.00 C ATOM 0 H LEU A 54 -41.215 -46.112 -10.055 1.00 0.00 H new ATOM 0 HA LEU A 54 -42.808 -43.923 -9.015 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -39.914 -44.824 -8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -40.661 -43.505 -7.735 1.00 0.00 H new ATOM 0 HG LEU A 54 -42.491 -45.112 -7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -42.007 -47.544 -7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -42.182 -46.780 -8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -40.563 -47.167 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -41.086 -46.266 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -39.631 -45.881 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -40.583 -44.572 -5.515 1.00 0.00 H new ATOM 851 N THR A 55 -40.200 -43.364 -10.986 1.00 0.00 N ATOM 852 CA THR A 55 -39.613 -42.378 -11.888 1.00 0.00 C ATOM 853 C THR A 55 -40.241 -42.497 -13.271 1.00 0.00 C ATOM 854 O THR A 55 -40.655 -41.503 -13.864 1.00 0.00 O ATOM 855 CB THR A 55 -38.101 -42.595 -11.989 1.00 0.00 C ATOM 856 OG1 THR A 55 -37.774 -43.023 -13.305 1.00 0.00 O ATOM 857 CG2 THR A 55 -37.669 -43.659 -10.981 1.00 0.00 C ATOM 0 H THR A 55 -39.689 -44.245 -10.928 1.00 0.00 H new ATOM 0 HA THR A 55 -39.806 -41.381 -11.492 1.00 0.00 H new ATOM 0 HB THR A 55 -37.583 -41.661 -11.771 1.00 0.00 H new ATOM 0 HG1 THR A 55 -36.806 -43.161 -13.373 1.00 0.00 H new ATOM 0 HG21 THR A 55 -36.592 -43.813 -11.053 1.00 0.00 H new ATOM 0 HG22 THR A 55 -37.921 -43.329 -9.973 1.00 0.00 H new ATOM 0 HG23 THR A 55 -38.185 -44.595 -11.196 1.00 0.00 H new ATOM 1533 N ASP A 101 37.651 -7.365 -4.148 1.00 0.00 N ATOM 1534 CA ASP A 101 38.258 -6.160 -3.597 1.00 0.00 C ATOM 1535 C ASP A 101 39.702 -6.426 -3.187 1.00 0.00 C ATOM 1536 O ASP A 101 40.517 -5.506 -3.111 1.00 0.00 O ATOM 1537 CB ASP A 101 37.461 -5.680 -2.383 1.00 0.00 C ATOM 1538 CG ASP A 101 35.969 -5.693 -2.701 1.00 0.00 C ATOM 1539 OD1 ASP A 101 35.621 -5.380 -3.828 1.00 0.00 O ATOM 1540 OD2 ASP A 101 35.198 -6.017 -1.813 1.00 0.00 O ATOM 0 HA ASP A 101 38.247 -5.388 -4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 101 37.664 -6.323 -1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 101 37.774 -4.673 -2.107 1.00 0.00 H new ATOM 1545 N LEU A 102 40.017 -7.690 -2.925 1.00 0.00 N ATOM 1546 CA LEU A 102 41.370 -8.049 -2.525 1.00 0.00 C ATOM 1547 C LEU A 102 42.363 -7.578 -3.564 1.00 0.00 C ATOM 1548 O LEU A 102 43.382 -6.968 -3.239 1.00 0.00 O ATOM 1549 CB LEU A 102 41.486 -9.562 -2.331 1.00 0.00 C ATOM 1550 CG LEU A 102 41.319 -10.268 -3.679 1.00 0.00 C ATOM 1551 CD1 LEU A 102 42.670 -10.354 -4.396 1.00 0.00 C ATOM 1552 CD2 LEU A 102 40.776 -11.681 -3.445 1.00 0.00 C ATOM 0 H LEU A 102 39.364 -8.472 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 102 41.594 -7.560 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 102 42.455 -9.810 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 102 40.725 -9.908 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 102 40.623 -9.702 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 102 42.542 -10.858 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 102 43.058 -9.349 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 102 43.373 -10.916 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 102 40.655 -12.188 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 102 41.475 -12.241 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 102 39.811 -11.621 -2.942 1.00 0.00 H new ATOM 1564 N GLN A 103 42.045 -7.836 -4.813 1.00 0.00 N ATOM 1565 CA GLN A 103 42.902 -7.406 -5.902 1.00 0.00 C ATOM 1566 C GLN A 103 43.298 -5.961 -5.656 1.00 0.00 C ATOM 1567 O GLN A 103 44.283 -5.461 -6.201 1.00 0.00 O ATOM 1568 CB GLN A 103 42.148 -7.511 -7.225 1.00 0.00 C ATOM 1569 CG GLN A 103 43.044 -8.155 -8.286 1.00 0.00 C ATOM 1570 CD GLN A 103 44.087 -7.152 -8.765 1.00 0.00 C ATOM 1571 OE1 GLN A 103 45.288 -7.408 -8.668 1.00 0.00 O ATOM 1572 NE2 GLN A 103 43.699 -6.017 -9.280 1.00 0.00 N ATOM 0 H GLN A 103 41.205 -8.338 -5.102 1.00 0.00 H new ATOM 0 HA GLN A 103 43.789 -8.038 -5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 103 41.243 -8.104 -7.092 1.00 0.00 H new ATOM 0 HB3 GLN A 103 41.834 -6.520 -7.554 1.00 0.00 H new ATOM 0 HG2 GLN A 103 43.537 -9.035 -7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 103 42.440 -8.494 -9.127 1.00 0.00 H new ATOM 0 HE21 GLN A 103 42.704 -5.807 -9.360 1.00 0.00 H new ATOM 0 HE22 GLN A 103 44.391 -5.340 -9.603 1.00 0.00 H new ATOM 1581 N ARG A 104 42.509 -5.304 -4.816 1.00 0.00 N ATOM 1582 CA ARG A 104 42.755 -3.911 -4.473 1.00 0.00 C ATOM 1583 C ARG A 104 43.760 -3.826 -3.331 1.00 0.00 C ATOM 1584 O ARG A 104 44.607 -2.933 -3.301 1.00 0.00 O ATOM 1585 CB ARG A 104 41.440 -3.238 -4.064 1.00 0.00 C ATOM 1586 CG ARG A 104 41.536 -1.726 -4.290 1.00 0.00 C ATOM 1587 CD ARG A 104 40.127 -1.135 -4.383 1.00 0.00 C ATOM 1588 NE ARG A 104 39.272 -1.702 -3.346 1.00 0.00 N ATOM 1589 CZ ARG A 104 39.189 -1.142 -2.144 1.00 0.00 C ATOM 1590 NH1 ARG A 104 39.878 -0.066 -1.878 1.00 0.00 N ATOM 1591 NH2 ARG A 104 38.419 -1.667 -1.231 1.00 0.00 N ATOM 0 H ARG A 104 41.694 -5.714 -4.360 1.00 0.00 H new ATOM 0 HA ARG A 104 43.164 -3.396 -5.342 1.00 0.00 H new ATOM 0 HB2 ARG A 104 40.615 -3.650 -4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 104 41.226 -3.445 -3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 104 42.085 -1.259 -3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 104 42.090 -1.519 -5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 104 40.172 -0.051 -4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 104 39.703 -1.340 -5.366 1.00 0.00 H new ATOM 0 HE ARG A 104 38.729 -2.542 -3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 104 40.479 0.344 -2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 104 39.815 0.365 -0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 104 37.880 -2.508 -1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 104 38.356 -1.237 -0.308 1.00 0.00 H new ATOM 1605 N ALA A 105 43.662 -4.766 -2.399 1.00 0.00 N ATOM 1606 CA ALA A 105 44.573 -4.795 -1.262 1.00 0.00 C ATOM 1607 C ALA A 105 46.006 -5.014 -1.737 1.00 0.00 C ATOM 1608 O ALA A 105 46.931 -4.335 -1.288 1.00 0.00 O ATOM 1609 CB ALA A 105 44.172 -5.914 -0.297 1.00 0.00 C ATOM 0 H ALA A 105 42.967 -5.512 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 105 44.514 -3.837 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.859 -5.928 0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.158 -5.739 0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 105 44.214 -6.873 -0.814 1.00 0.00 H new ATOM 1615 N ILE A 106 46.185 -5.965 -2.652 1.00 0.00 N ATOM 1616 CA ILE A 106 47.513 -6.258 -3.182 1.00 0.00 C ATOM 1617 C ILE A 106 48.003 -5.116 -4.050 1.00 0.00 C ATOM 1618 O ILE A 106 49.197 -4.830 -4.113 1.00 0.00 O ATOM 1619 CB ILE A 106 47.488 -7.549 -4.000 1.00 0.00 C ATOM 1620 CG1 ILE A 106 46.224 -8.341 -3.665 1.00 0.00 C ATOM 1621 CG2 ILE A 106 48.720 -8.391 -3.664 1.00 0.00 C ATOM 1622 CD1 ILE A 106 46.134 -8.547 -2.150 1.00 0.00 C ATOM 0 H ILE A 106 45.436 -6.540 -3.038 1.00 0.00 H new ATOM 0 HA ILE A 106 48.194 -6.382 -2.340 1.00 0.00 H new ATOM 0 HB ILE A 106 47.493 -7.305 -5.062 1.00 0.00 H new ATOM 0 HG12 ILE A 106 45.343 -7.808 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 106 46.241 -9.305 -4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 106 48.702 -9.311 -4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 106 49.622 -7.828 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 106 48.715 -8.635 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 106 45.232 -9.112 -1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 106 47.009 -9.098 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 106 46.097 -7.578 -1.653 1.00 0.00 H new ATOM 1634 N ALA A 107 47.066 -4.473 -4.712 1.00 0.00 N ATOM 1635 CA ALA A 107 47.386 -3.352 -5.582 1.00 0.00 C ATOM 1636 C ALA A 107 47.981 -2.206 -4.769 1.00 0.00 C ATOM 1637 O ALA A 107 49.118 -1.789 -4.998 1.00 0.00 O ATOM 1638 CB ALA A 107 46.127 -2.869 -6.303 1.00 0.00 C ATOM 0 H ALA A 107 46.074 -4.704 -4.667 1.00 0.00 H new ATOM 0 HA ALA A 107 48.117 -3.683 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 107 46.378 -2.030 -6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 107 45.717 -3.681 -6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 107 45.387 -2.551 -5.569 1.00 0.00 H new ATOM 1644 N LEU A 108 47.202 -1.705 -3.816 1.00 0.00 N ATOM 1645 CA LEU A 108 47.656 -0.610 -2.967 1.00 0.00 C ATOM 1646 C LEU A 108 49.061 -0.887 -2.443 1.00 0.00 C ATOM 1647 O LEU A 108 49.910 0.004 -2.414 1.00 0.00 O ATOM 1648 CB LEU A 108 46.692 -0.436 -1.792 1.00 0.00 C ATOM 1649 CG LEU A 108 45.325 0.015 -2.317 1.00 0.00 C ATOM 1650 CD1 LEU A 108 44.251 -0.289 -1.272 1.00 0.00 C ATOM 1651 CD2 LEU A 108 45.344 1.522 -2.603 1.00 0.00 C ATOM 0 H LEU A 108 46.259 -2.037 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 108 47.679 0.305 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 108 46.593 -1.375 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 108 47.085 0.300 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 108 45.103 -0.522 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 108 43.279 0.032 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 108 44.228 -1.361 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 108 44.479 0.245 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 108 44.368 1.834 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 108 45.572 2.064 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 108 46.105 1.741 -3.352 1.00 0.00 H new ATOM 1663 N SER A 109 49.301 -2.127 -2.029 1.00 0.00 N ATOM 1664 CA SER A 109 50.610 -2.503 -1.508 1.00 0.00 C ATOM 1665 C SER A 109 51.631 -2.587 -2.632 1.00 0.00 C ATOM 1666 O SER A 109 52.767 -2.134 -2.485 1.00 0.00 O ATOM 1667 CB SER A 109 50.527 -3.850 -0.791 1.00 0.00 C ATOM 1668 OG SER A 109 50.307 -4.878 -1.747 1.00 0.00 O ATOM 0 H SER A 109 48.614 -2.881 -2.044 1.00 0.00 H new ATOM 0 HA SER A 109 50.927 -1.737 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 109 51.449 -4.040 -0.241 1.00 0.00 H new ATOM 0 HB3 SER A 109 49.718 -3.837 -0.061 1.00 0.00 H new ATOM 0 HG SER A 109 49.636 -4.582 -2.397 1.00 0.00 H new ATOM 1674 N LEU A 110 51.225 -3.157 -3.757 1.00 0.00 N ATOM 1675 CA LEU A 110 52.125 -3.275 -4.892 1.00 0.00 C ATOM 1676 C LEU A 110 52.793 -1.932 -5.142 1.00 0.00 C ATOM 1677 O LEU A 110 53.844 -1.854 -5.778 1.00 0.00 O ATOM 1678 CB LEU A 110 51.348 -3.702 -6.138 1.00 0.00 C ATOM 1679 CG LEU A 110 51.607 -5.184 -6.419 1.00 0.00 C ATOM 1680 CD1 LEU A 110 50.525 -5.725 -7.358 1.00 0.00 C ATOM 1681 CD2 LEU A 110 52.978 -5.344 -7.079 1.00 0.00 C ATOM 0 H LEU A 110 50.292 -3.540 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 110 52.882 -4.029 -4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 110 50.282 -3.530 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 110 51.653 -3.100 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 110 51.585 -5.740 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 110 50.711 -6.780 -7.557 1.00 0.00 H new ATOM 0 HD12 LEU A 110 49.547 -5.611 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 110 50.546 -5.170 -8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 110 53.164 -6.399 -7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 110 52.998 -4.787 -8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 110 53.750 -4.960 -6.412 1.00 0.00 H new ATOM 1693 N ALA A 111 52.174 -0.877 -4.621 1.00 0.00 N ATOM 1694 CA ALA A 111 52.716 0.468 -4.777 1.00 0.00 C ATOM 1695 C ALA A 111 53.668 0.789 -3.631 1.00 0.00 C ATOM 1696 O ALA A 111 54.848 1.077 -3.848 1.00 0.00 O ATOM 1697 CB ALA A 111 51.581 1.491 -4.800 1.00 0.00 C ATOM 0 H ALA A 111 51.304 -0.926 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 111 53.263 0.515 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 111 51.996 2.492 -4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 111 50.914 1.275 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 111 51.023 1.436 -3.865 1.00 0.00 H new ATOM 1703 N GLU A 112 53.149 0.724 -2.407 1.00 0.00 N ATOM 1704 CA GLU A 112 53.968 0.999 -1.235 1.00 0.00 C ATOM 1705 C GLU A 112 55.273 0.223 -1.332 1.00 0.00 C ATOM 1706 O GLU A 112 56.271 0.579 -0.705 1.00 0.00 O ATOM 1707 CB GLU A 112 53.220 0.598 0.039 1.00 0.00 C ATOM 1708 CG GLU A 112 53.867 1.276 1.248 1.00 0.00 C ATOM 1709 CD GLU A 112 53.014 1.051 2.492 1.00 0.00 C ATOM 1710 OE1 GLU A 112 52.065 1.795 2.677 1.00 0.00 O ATOM 1711 OE2 GLU A 112 53.321 0.136 3.238 1.00 0.00 O ATOM 0 H GLU A 112 52.178 0.486 -2.205 1.00 0.00 H new ATOM 0 HA GLU A 112 54.183 2.067 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 112 52.172 0.888 -0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 112 53.243 -0.485 0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 112 54.868 0.876 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 112 53.976 2.344 1.061 1.00 0.00 H new ATOM 1718 N SER A 113 55.257 -0.835 -2.138 1.00 0.00 N ATOM 1719 CA SER A 113 56.444 -1.654 -2.332 1.00 0.00 C ATOM 1720 C SER A 113 57.264 -1.110 -3.493 1.00 0.00 C ATOM 1721 O SER A 113 58.479 -0.947 -3.385 1.00 0.00 O ATOM 1722 CB SER A 113 56.045 -3.103 -2.612 1.00 0.00 C ATOM 1723 OG SER A 113 56.622 -3.949 -1.626 1.00 0.00 O ATOM 0 H SER A 113 54.439 -1.142 -2.664 1.00 0.00 H new ATOM 0 HA SER A 113 57.045 -1.623 -1.423 1.00 0.00 H new ATOM 0 HB2 SER A 113 54.960 -3.202 -2.602 1.00 0.00 H new ATOM 0 HB3 SER A 113 56.383 -3.400 -3.605 1.00 0.00 H new ATOM 0 HG SER A 113 56.366 -4.878 -1.802 1.00 0.00 H new ATOM 1902 N GLU A 125 75.557 2.611 9.727 1.00 0.00 N ATOM 1903 CA GLU A 125 76.202 3.449 10.732 1.00 0.00 C ATOM 1904 C GLU A 125 77.722 3.382 10.602 1.00 0.00 C ATOM 1905 O GLU A 125 78.390 4.409 10.481 1.00 0.00 O ATOM 1906 CB GLU A 125 75.785 2.990 12.132 1.00 0.00 C ATOM 1907 CG GLU A 125 75.058 4.126 12.858 1.00 0.00 C ATOM 1908 CD GLU A 125 73.622 4.230 12.358 1.00 0.00 C ATOM 1909 OE1 GLU A 125 73.169 3.294 11.719 1.00 0.00 O ATOM 1910 OE2 GLU A 125 72.996 5.243 12.621 1.00 0.00 O ATOM 0 HA GLU A 125 75.886 4.480 10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 125 75.135 2.118 12.060 1.00 0.00 H new ATOM 0 HB3 GLU A 125 76.663 2.686 12.701 1.00 0.00 H new ATOM 0 HG2 GLU A 125 75.065 3.945 13.933 1.00 0.00 H new ATOM 0 HG3 GLU A 125 75.579 5.068 12.690 1.00 0.00 H new ATOM 1917 N GLU A 126 78.262 2.168 10.637 1.00 0.00 N ATOM 1918 CA GLU A 126 79.705 1.980 10.530 1.00 0.00 C ATOM 1919 C GLU A 126 80.261 2.721 9.317 1.00 0.00 C ATOM 1920 O GLU A 126 81.253 3.442 9.420 1.00 0.00 O ATOM 1921 CB GLU A 126 80.034 0.492 10.412 1.00 0.00 C ATOM 1922 CG GLU A 126 81.549 0.314 10.294 1.00 0.00 C ATOM 1923 CD GLU A 126 81.907 -1.167 10.349 1.00 0.00 C ATOM 1924 OE1 GLU A 126 81.404 -1.909 9.520 1.00 0.00 O ATOM 1925 OE2 GLU A 126 82.679 -1.538 11.217 1.00 0.00 O ATOM 0 H GLU A 126 77.727 1.305 10.738 1.00 0.00 H new ATOM 0 HA GLU A 126 80.167 2.385 11.431 1.00 0.00 H new ATOM 0 HB2 GLU A 126 79.661 -0.044 11.284 1.00 0.00 H new ATOM 0 HB3 GLU A 126 79.538 0.067 9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 126 81.902 0.747 9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 126 82.050 0.848 11.102 1.00 0.00 H new ATOM 1932 N GLN A 127 79.620 2.532 8.169 1.00 0.00 N ATOM 1933 CA GLN A 127 80.063 3.184 6.942 1.00 0.00 C ATOM 1934 C GLN A 127 79.990 4.702 7.079 1.00 0.00 C ATOM 1935 O GLN A 127 80.719 5.430 6.406 1.00 0.00 O ATOM 1936 CB GLN A 127 79.190 2.733 5.769 1.00 0.00 C ATOM 1937 CG GLN A 127 79.918 3.008 4.452 1.00 0.00 C ATOM 1938 CD GLN A 127 78.916 3.403 3.373 1.00 0.00 C ATOM 1939 OE1 GLN A 127 77.802 2.879 3.338 1.00 0.00 O ATOM 1940 NE2 GLN A 127 79.246 4.301 2.486 1.00 0.00 N ATOM 0 H GLN A 127 78.798 1.937 8.062 1.00 0.00 H new ATOM 0 HA GLN A 127 81.099 2.900 6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 127 78.966 1.670 5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 127 78.237 3.262 5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 127 80.648 3.805 4.591 1.00 0.00 H new ATOM 0 HG3 GLN A 127 80.470 2.121 4.140 1.00 0.00 H new ATOM 0 HE21 GLN A 127 80.169 4.733 2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 127 78.581 4.571 1.761 1.00 0.00 H new ATOM 1949 N ALA A 128 79.106 5.172 7.953 1.00 0.00 N ATOM 1950 CA ALA A 128 78.947 6.607 8.165 1.00 0.00 C ATOM 1951 C ALA A 128 80.203 7.203 8.796 1.00 0.00 C ATOM 1952 O ALA A 128 80.919 7.977 8.160 1.00 0.00 O ATOM 1953 CB ALA A 128 77.742 6.871 9.071 1.00 0.00 C ATOM 0 H ALA A 128 78.494 4.587 8.521 1.00 0.00 H new ATOM 0 HA ALA A 128 78.784 7.080 7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 128 77.630 7.944 9.224 1.00 0.00 H new ATOM 0 HB2 ALA A 128 76.841 6.476 8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 128 77.896 6.381 10.033 1.00 0.00 H new ATOM 1959 N ILE A 129 80.460 6.843 10.049 1.00 0.00 N ATOM 1960 CA ILE A 129 81.630 7.353 10.757 1.00 0.00 C ATOM 1961 C ILE A 129 82.889 7.196 9.909 1.00 0.00 C ATOM 1962 O ILE A 129 83.802 8.018 9.980 1.00 0.00 O ATOM 1963 CB ILE A 129 81.809 6.606 12.079 1.00 0.00 C ATOM 1964 CG1 ILE A 129 80.767 7.096 13.088 1.00 0.00 C ATOM 1965 CG2 ILE A 129 83.212 6.873 12.630 1.00 0.00 C ATOM 1966 CD1 ILE A 129 79.404 6.478 12.763 1.00 0.00 C ATOM 0 H ILE A 129 79.879 6.205 10.593 1.00 0.00 H new ATOM 0 HA ILE A 129 81.472 8.413 10.955 1.00 0.00 H new ATOM 0 HB ILE A 129 81.680 5.537 11.911 1.00 0.00 H new ATOM 0 HG12 ILE A 129 81.069 6.823 14.099 1.00 0.00 H new ATOM 0 HG13 ILE A 129 80.701 8.184 13.058 1.00 0.00 H new ATOM 0 HG21 ILE A 129 83.340 6.341 13.573 1.00 0.00 H new ATOM 0 HG22 ILE A 129 83.956 6.526 11.913 1.00 0.00 H new ATOM 0 HG23 ILE A 129 83.340 7.943 12.797 1.00 0.00 H new ATOM 0 HD11 ILE A 129 78.665 6.829 13.483 1.00 0.00 H new ATOM 0 HD12 ILE A 129 79.101 6.773 11.758 1.00 0.00 H new ATOM 0 HD13 ILE A 129 79.475 5.392 12.816 1.00 0.00 H new ATOM 1978 N SER A 130 82.933 6.135 9.110 1.00 0.00 N ATOM 1979 CA SER A 130 84.089 5.880 8.258 1.00 0.00 C ATOM 1980 C SER A 130 84.184 6.924 7.149 1.00 0.00 C ATOM 1981 O SER A 130 85.264 7.188 6.624 1.00 0.00 O ATOM 1982 CB SER A 130 83.984 4.486 7.638 1.00 0.00 C ATOM 1983 OG SER A 130 83.968 4.600 6.221 1.00 0.00 O ATOM 0 H SER A 130 82.188 5.443 9.035 1.00 0.00 H new ATOM 0 HA SER A 130 84.987 5.939 8.874 1.00 0.00 H new ATOM 0 HB2 SER A 130 84.826 3.871 7.955 1.00 0.00 H new ATOM 0 HB3 SER A 130 83.078 3.989 7.984 1.00 0.00 H new ATOM 0 HG SER A 130 83.902 3.707 5.822 1.00 0.00 H new ATOM 1989 N ARG A 131 83.046 7.512 6.798 1.00 0.00 N ATOM 1990 CA ARG A 131 83.013 8.524 5.747 1.00 0.00 C ATOM 1991 C ARG A 131 83.342 9.902 6.312 1.00 0.00 C ATOM 1992 O ARG A 131 84.185 10.619 5.773 1.00 0.00 O ATOM 1993 CB ARG A 131 81.627 8.554 5.101 1.00 0.00 C ATOM 1994 CG ARG A 131 81.379 7.237 4.365 1.00 0.00 C ATOM 1995 CD ARG A 131 81.660 7.427 2.874 1.00 0.00 C ATOM 1996 NE ARG A 131 80.570 8.163 2.245 1.00 0.00 N ATOM 1997 CZ ARG A 131 80.207 7.915 0.992 1.00 0.00 C ATOM 1998 NH1 ARG A 131 80.828 6.999 0.301 1.00 0.00 N ATOM 1999 NH2 ARG A 131 79.230 8.589 0.450 1.00 0.00 N ATOM 0 H ARG A 131 82.141 7.308 7.221 1.00 0.00 H new ATOM 0 HA ARG A 131 83.762 8.267 4.998 1.00 0.00 H new ATOM 0 HB2 ARG A 131 80.862 8.707 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 131 81.556 9.390 4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 131 82.021 6.455 4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 131 80.349 6.913 4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 131 82.598 7.966 2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 131 81.778 6.456 2.392 1.00 0.00 H new ATOM 0 HE ARG A 131 80.078 8.881 2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 131 81.593 6.473 0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 131 80.549 6.809 -0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 131 78.745 9.307 0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 131 78.951 8.398 -0.512 1.00 0.00 H new ATOM 2013 N VAL A 132 82.670 10.267 7.398 1.00 0.00 N ATOM 2014 CA VAL A 132 82.895 11.564 8.027 1.00 0.00 C ATOM 2015 C VAL A 132 84.370 11.753 8.364 1.00 0.00 C ATOM 2016 O VAL A 132 84.923 12.839 8.182 1.00 0.00 O ATOM 2017 CB VAL A 132 82.057 11.677 9.302 1.00 0.00 C ATOM 2018 CG1 VAL A 132 82.845 11.112 10.485 1.00 0.00 C ATOM 2019 CG2 VAL A 132 81.729 13.149 9.566 1.00 0.00 C ATOM 0 H VAL A 132 81.969 9.687 7.859 1.00 0.00 H new ATOM 0 HA VAL A 132 82.596 12.342 7.325 1.00 0.00 H new ATOM 0 HB VAL A 132 81.133 11.113 9.180 1.00 0.00 H new ATOM 0 HG11 VAL A 132 82.247 11.193 11.393 1.00 0.00 H new ATOM 0 HG12 VAL A 132 83.081 10.064 10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 132 83.770 11.675 10.608 1.00 0.00 H new ATOM 0 HG21 VAL A 132 81.132 13.232 10.474 1.00 0.00 H new ATOM 0 HG22 VAL A 132 82.654 13.712 9.688 1.00 0.00 H new ATOM 0 HG23 VAL A 132 81.167 13.553 8.724 1.00 0.00 H new ATOM 2029 N LEU A 133 85.004 10.694 8.858 1.00 0.00 N ATOM 2030 CA LEU A 133 86.416 10.761 9.216 1.00 0.00 C ATOM 2031 C LEU A 133 87.290 10.611 7.976 1.00 0.00 C ATOM 2032 O LEU A 133 88.002 11.538 7.591 1.00 0.00 O ATOM 2033 CB LEU A 133 86.759 9.661 10.221 1.00 0.00 C ATOM 2034 CG LEU A 133 88.021 10.050 10.990 1.00 0.00 C ATOM 2035 CD1 LEU A 133 87.638 10.890 12.210 1.00 0.00 C ATOM 2036 CD2 LEU A 133 88.749 8.784 11.453 1.00 0.00 C ATOM 0 H LEU A 133 84.567 9.787 9.018 1.00 0.00 H new ATOM 0 HA LEU A 133 86.608 11.734 9.668 1.00 0.00 H new ATOM 0 HB2 LEU A 133 85.930 9.514 10.913 1.00 0.00 H new ATOM 0 HB3 LEU A 133 86.913 8.715 9.702 1.00 0.00 H new ATOM 0 HG LEU A 133 88.676 10.630 10.340 1.00 0.00 H new ATOM 0 HD11 LEU A 133 88.538 11.167 12.758 1.00 0.00 H new ATOM 0 HD12 LEU A 133 87.120 11.792 11.883 1.00 0.00 H new ATOM 0 HD13 LEU A 133 86.982 10.310 12.859 1.00 0.00 H new ATOM 0 HD21 LEU A 133 89.649 9.062 12.001 1.00 0.00 H new ATOM 0 HD22 LEU A 133 88.093 8.204 12.102 1.00 0.00 H new ATOM 0 HD23 LEU A 133 89.024 8.184 10.585 1.00 0.00 H new ATOM 2048 N GLU A 134 87.229 9.439 7.352 1.00 0.00 N ATOM 2049 CA GLU A 134 88.019 9.184 6.154 1.00 0.00 C ATOM 2050 C GLU A 134 88.074 10.432 5.279 1.00 0.00 C ATOM 2051 O GLU A 134 89.061 10.674 4.585 1.00 0.00 O ATOM 2052 CB GLU A 134 87.405 8.026 5.363 1.00 0.00 C ATOM 2053 CG GLU A 134 88.253 7.742 4.121 1.00 0.00 C ATOM 2054 CD GLU A 134 87.353 7.575 2.903 1.00 0.00 C ATOM 2055 OE1 GLU A 134 86.740 8.553 2.503 1.00 0.00 O ATOM 2056 OE2 GLU A 134 87.285 6.472 2.386 1.00 0.00 O ATOM 0 H GLU A 134 86.646 8.658 7.653 1.00 0.00 H new ATOM 0 HA GLU A 134 89.033 8.919 6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 134 87.349 7.135 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 134 86.385 8.274 5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 134 88.955 8.559 3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 134 88.845 6.839 4.273 1.00 0.00 H new ATOM 2063 N ALA A 135 87.006 11.221 5.323 1.00 0.00 N ATOM 2064 CA ALA A 135 86.941 12.446 4.533 1.00 0.00 C ATOM 2065 C ALA A 135 87.745 13.557 5.200 1.00 0.00 C ATOM 2066 O ALA A 135 88.601 14.181 4.572 1.00 0.00 O ATOM 2067 CB ALA A 135 85.485 12.889 4.379 1.00 0.00 C ATOM 0 H ALA A 135 86.180 11.037 5.892 1.00 0.00 H new ATOM 0 HA ALA A 135 87.367 12.246 3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 135 85.444 13.804 3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 135 84.918 12.106 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 135 85.055 13.073 5.363 1.00 0.00 H new ATOM 2073 N SER A 136 87.463 13.801 6.476 1.00 0.00 N ATOM 2074 CA SER A 136 88.164 14.842 7.220 1.00 0.00 C ATOM 2075 C SER A 136 89.672 14.728 7.020 1.00 0.00 C ATOM 2076 O SER A 136 90.364 15.734 6.867 1.00 0.00 O ATOM 2077 CB SER A 136 87.837 14.726 8.709 1.00 0.00 C ATOM 2078 OG SER A 136 89.001 15.022 9.471 1.00 0.00 O ATOM 0 H SER A 136 86.759 13.296 7.014 1.00 0.00 H new ATOM 0 HA SER A 136 87.834 15.811 6.847 1.00 0.00 H new ATOM 0 HB2 SER A 136 87.033 15.413 8.971 1.00 0.00 H new ATOM 0 HB3 SER A 136 87.484 13.720 8.938 1.00 0.00 H new ATOM 0 HG SER A 136 88.794 14.950 10.426 1.00 0.00 H new