USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 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 Single : A 17 GLN : amide:sc= -0.0246 K(o=-0.025,f=-1.4!) USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -1.7! C(o=-2.5!,f=-1.7!) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.356 F(o=-2.9!,f=-0.36) USER MOD Single : A 28 THR OG1 : rot 9:sc= -0.577! USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.606 F(o=-2.2,f=-0.61) USER MOD Single : A 37 GLN : amide:sc= -0.0288 X(o=-0.029,f=-0.12) USER MOD Single : A 38 GLN : amide:sc= -0.0511 K(o=-0.051,f=-1.8!) USER MOD Single : A 41 LYS NZ :NH3+ -141:sc= -0.33 (180deg=-1.35!) USER MOD Single : A 43 SER OG : rot 146:sc= 0.272 USER MOD Single : A 44 ASN : amide:sc= -0.554 X(o=-0.55,f=-0.17) USER MOD Single : A 46 ASN : amide:sc= 0.398 K(o=0.4,f=-0.13) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 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) USER MOD Single : A 130 SER OG : rot -72:sc= -3.77! USER MOD Single : A 136 SER OG : rot 180:sc= -0.0974 USER MOD ----------------------------------------------------------------- ATOM 250 N GLN A 17 -16.122 -40.701 35.009 1.00 0.00 N ATOM 251 CA GLN A 17 -15.459 -41.390 33.896 1.00 0.00 C ATOM 252 C GLN A 17 -15.163 -42.854 34.201 1.00 0.00 C ATOM 253 O GLN A 17 -15.648 -43.744 33.507 1.00 0.00 O ATOM 254 CB GLN A 17 -14.151 -40.675 33.541 1.00 0.00 C ATOM 255 CG GLN A 17 -14.306 -39.953 32.201 1.00 0.00 C ATOM 256 CD GLN A 17 -12.947 -39.465 31.711 1.00 0.00 C ATOM 257 OE1 GLN A 17 -11.926 -40.102 31.972 1.00 0.00 O ATOM 258 NE2 GLN A 17 -12.873 -38.367 31.009 1.00 0.00 N ATOM 0 HA GLN A 17 -16.150 -41.362 33.053 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.892 -39.960 34.322 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.335 -41.395 33.485 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.747 -40.625 31.465 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -14.987 -39.109 32.310 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.720 -37.841 30.794 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.968 -38.035 30.675 1.00 0.00 H new ATOM 267 N GLN A 18 -14.361 -43.105 35.226 1.00 0.00 N ATOM 268 CA GLN A 18 -14.014 -44.477 35.575 1.00 0.00 C ATOM 269 C GLN A 18 -15.256 -45.347 35.596 1.00 0.00 C ATOM 270 O GLN A 18 -15.196 -46.535 35.291 1.00 0.00 O ATOM 271 CB GLN A 18 -13.349 -44.515 36.944 1.00 0.00 C ATOM 272 CG GLN A 18 -11.930 -45.070 36.820 1.00 0.00 C ATOM 273 CD GLN A 18 -11.968 -46.590 36.695 1.00 0.00 C ATOM 274 OE1 GLN A 18 -12.233 -47.135 35.539 1.00 0.00 O flip ATOM 275 NE2 GLN A 18 -11.750 -47.300 37.677 1.00 0.00 N flip ATOM 0 H GLN A 18 -13.944 -42.390 35.822 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.323 -44.859 34.824 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.320 -43.513 37.372 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.933 -45.135 37.624 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.438 -44.638 35.949 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.342 -44.784 37.692 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.543 -46.872 38.580 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.776 -48.316 37.588 1.00 0.00 H new ATOM 284 N THR A 19 -16.376 -44.752 35.969 1.00 0.00 N ATOM 285 CA THR A 19 -17.622 -45.494 36.031 1.00 0.00 C ATOM 286 C THR A 19 -18.085 -45.857 34.626 1.00 0.00 C ATOM 287 O THR A 19 -18.406 -47.008 34.333 1.00 0.00 O ATOM 288 CB THR A 19 -18.695 -44.671 36.757 1.00 0.00 C ATOM 289 OG1 THR A 19 -19.484 -45.537 37.562 1.00 0.00 O ATOM 290 CG2 THR A 19 -19.597 -43.954 35.747 1.00 0.00 C ATOM 0 H THR A 19 -16.448 -43.769 36.231 1.00 0.00 H new ATOM 0 HA THR A 19 -17.457 -46.415 36.591 1.00 0.00 H new ATOM 0 HB THR A 19 -18.205 -43.924 37.381 1.00 0.00 H new ATOM 0 HG1 THR A 19 -20.170 -45.015 38.029 1.00 0.00 H new ATOM 0 HG21 THR A 19 -20.352 -43.375 36.280 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.995 -43.285 35.132 1.00 0.00 H new ATOM 0 HG23 THR A 19 -20.087 -44.690 35.110 1.00 0.00 H new ATOM 298 N PHE A 20 -18.103 -44.853 33.771 1.00 0.00 N ATOM 299 CA PHE A 20 -18.510 -45.030 32.381 1.00 0.00 C ATOM 300 C PHE A 20 -17.587 -46.034 31.702 1.00 0.00 C ATOM 301 O PHE A 20 -18.032 -46.989 31.067 1.00 0.00 O ATOM 302 CB PHE A 20 -18.438 -43.687 31.655 1.00 0.00 C ATOM 303 CG PHE A 20 -18.832 -43.868 30.212 1.00 0.00 C ATOM 304 CD1 PHE A 20 -20.180 -43.797 29.841 1.00 0.00 C ATOM 305 CD2 PHE A 20 -17.850 -44.108 29.245 1.00 0.00 C ATOM 306 CE1 PHE A 20 -20.544 -43.964 28.501 1.00 0.00 C ATOM 307 CE2 PHE A 20 -18.215 -44.274 27.906 1.00 0.00 C ATOM 308 CZ PHE A 20 -19.562 -44.202 27.535 1.00 0.00 C ATOM 0 H PHE A 20 -17.839 -43.898 34.012 1.00 0.00 H new ATOM 0 HA PHE A 20 -19.533 -45.404 32.346 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -19.101 -42.967 32.135 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -17.428 -43.282 31.718 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -20.938 -43.614 30.588 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -16.811 -44.165 29.533 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -21.583 -43.909 28.213 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -17.458 -44.458 27.158 1.00 0.00 H new ATOM 0 HZ PHE A 20 -19.844 -44.331 26.500 1.00 0.00 H new ATOM 318 N LEU A 21 -16.295 -45.809 31.865 1.00 0.00 N ATOM 319 CA LEU A 21 -15.288 -46.692 31.299 1.00 0.00 C ATOM 320 C LEU A 21 -15.371 -48.048 31.984 1.00 0.00 C ATOM 321 O LEU A 21 -15.264 -49.091 31.342 1.00 0.00 O ATOM 322 CB LEU A 21 -13.892 -46.097 31.502 1.00 0.00 C ATOM 323 CG LEU A 21 -13.863 -44.662 30.966 1.00 0.00 C ATOM 324 CD1 LEU A 21 -12.616 -43.939 31.485 1.00 0.00 C ATOM 325 CD2 LEU A 21 -13.827 -44.691 29.436 1.00 0.00 C ATOM 0 H LEU A 21 -15.916 -45.019 32.387 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.469 -46.807 30.230 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.632 -46.106 32.561 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.148 -46.704 30.986 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.755 -44.135 31.305 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.600 -42.919 31.101 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.636 -43.916 32.575 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.723 -44.467 31.149 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.806 -43.671 29.053 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.935 -45.222 29.103 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.714 -45.201 29.061 1.00 0.00 H new ATOM 337 N ASN A 22 -15.596 -48.024 33.293 1.00 0.00 N ATOM 338 CA ASN A 22 -15.727 -49.262 34.043 1.00 0.00 C ATOM 339 C ASN A 22 -16.884 -50.050 33.460 1.00 0.00 C ATOM 340 O ASN A 22 -16.817 -51.271 33.309 1.00 0.00 O ATOM 341 CB ASN A 22 -15.996 -48.965 35.519 1.00 0.00 C ATOM 342 CG ASN A 22 -16.453 -50.234 36.226 1.00 0.00 C ATOM 343 OD1 ASN A 22 -16.234 -51.392 35.667 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -17.023 -50.169 37.316 1.00 0.00 N flip ATOM 0 H ASN A 22 -15.690 -47.173 33.848 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.803 -49.835 33.973 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.093 -48.579 35.992 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.759 -48.192 35.611 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.192 -49.261 37.750 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.326 -51.023 37.785 1.00 0.00 H new ATOM 351 N GLN A 23 -17.938 -49.323 33.105 1.00 0.00 N ATOM 352 CA GLN A 23 -19.111 -49.936 32.503 1.00 0.00 C ATOM 353 C GLN A 23 -18.692 -50.692 31.253 1.00 0.00 C ATOM 354 O GLN A 23 -19.011 -51.866 31.086 1.00 0.00 O ATOM 355 CB GLN A 23 -20.144 -48.864 32.132 1.00 0.00 C ATOM 356 CG GLN A 23 -21.294 -48.891 33.140 1.00 0.00 C ATOM 357 CD GLN A 23 -22.105 -50.171 32.979 1.00 0.00 C ATOM 358 OE1 GLN A 23 -22.930 -50.289 31.975 1.00 0.00 O flip ATOM 359 NE2 GLN A 23 -21.986 -51.089 33.791 1.00 0.00 N flip ATOM 0 H GLN A 23 -18.002 -48.312 33.224 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.562 -50.622 33.220 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -19.676 -47.880 32.125 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -20.524 -49.043 31.126 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -20.900 -48.827 34.154 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.937 -48.023 32.992 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -21.341 -50.996 34.575 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -22.533 -51.943 33.679 1.00 0.00 H new ATOM 368 N LEU A 24 -17.966 -50.002 30.376 1.00 0.00 N ATOM 369 CA LEU A 24 -17.493 -50.606 29.141 1.00 0.00 C ATOM 370 C LEU A 24 -16.904 -51.982 29.417 1.00 0.00 C ATOM 371 O LEU A 24 -17.137 -52.932 28.675 1.00 0.00 O ATOM 372 CB LEU A 24 -16.446 -49.708 28.499 1.00 0.00 C ATOM 373 CG LEU A 24 -17.146 -48.793 27.492 1.00 0.00 C ATOM 374 CD1 LEU A 24 -16.316 -47.531 27.249 1.00 0.00 C ATOM 375 CD2 LEU A 24 -17.336 -49.548 26.175 1.00 0.00 C ATOM 0 H LEU A 24 -17.695 -49.027 30.501 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.335 -50.720 28.458 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -15.937 -49.116 29.259 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.685 -50.309 28.001 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.116 -48.498 27.892 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.828 -46.891 26.530 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.189 -46.993 28.188 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.338 -47.809 26.855 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.834 -48.901 25.453 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.364 -49.847 25.783 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.945 -50.435 26.349 1.00 0.00 H new ATOM 387 N ARG A 25 -16.157 -52.084 30.503 1.00 0.00 N ATOM 388 CA ARG A 25 -15.551 -53.347 30.889 1.00 0.00 C ATOM 389 C ARG A 25 -16.631 -54.315 31.350 1.00 0.00 C ATOM 390 O ARG A 25 -16.411 -55.520 31.432 1.00 0.00 O ATOM 391 CB ARG A 25 -14.546 -53.110 32.021 1.00 0.00 C ATOM 392 CG ARG A 25 -13.968 -54.451 32.495 1.00 0.00 C ATOM 393 CD ARG A 25 -14.466 -54.791 33.906 1.00 0.00 C ATOM 394 NE ARG A 25 -15.705 -55.552 33.825 1.00 0.00 N ATOM 395 CZ ARG A 25 -16.286 -56.048 34.911 1.00 0.00 C ATOM 396 NH1 ARG A 25 -15.759 -55.844 36.088 1.00 0.00 N ATOM 397 NH2 ARG A 25 -17.386 -56.741 34.802 1.00 0.00 N ATOM 0 H ARG A 25 -15.956 -51.308 31.133 1.00 0.00 H new ATOM 0 HA ARG A 25 -15.031 -53.775 30.032 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -13.743 -52.459 31.676 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.034 -52.600 32.852 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -14.257 -55.242 31.802 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -12.879 -54.405 32.490 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -13.710 -55.367 34.439 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -14.628 -53.875 34.474 1.00 0.00 H new ATOM 0 HE ARG A 25 -16.136 -55.707 32.914 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -14.899 -55.302 36.175 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -16.207 -56.226 36.921 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -17.799 -56.901 33.883 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -17.833 -57.123 35.636 1.00 0.00 H new ATOM 411 N GLU A 26 -17.793 -53.765 31.682 1.00 0.00 N ATOM 412 CA GLU A 26 -18.898 -54.577 32.171 1.00 0.00 C ATOM 413 C GLU A 26 -19.756 -55.167 31.042 1.00 0.00 C ATOM 414 O GLU A 26 -19.929 -56.382 30.964 1.00 0.00 O ATOM 415 CB GLU A 26 -19.782 -53.732 33.091 1.00 0.00 C ATOM 416 CG GLU A 26 -20.849 -54.617 33.729 1.00 0.00 C ATOM 417 CD GLU A 26 -20.392 -55.076 35.110 1.00 0.00 C ATOM 418 OE1 GLU A 26 -19.454 -55.854 35.174 1.00 0.00 O ATOM 419 OE2 GLU A 26 -20.984 -54.640 36.083 1.00 0.00 O ATOM 0 H GLU A 26 -17.993 -52.767 31.622 1.00 0.00 H new ATOM 0 HA GLU A 26 -18.462 -55.416 32.714 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -19.175 -53.262 33.865 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -20.253 -52.929 32.523 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -21.787 -54.067 33.812 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.042 -55.482 33.095 1.00 0.00 H new ATOM 426 N ILE A 27 -20.324 -54.308 30.195 1.00 0.00 N ATOM 427 CA ILE A 27 -21.198 -54.780 29.113 1.00 0.00 C ATOM 428 C ILE A 27 -20.448 -55.639 28.093 1.00 0.00 C ATOM 429 O ILE A 27 -20.810 -56.793 27.864 1.00 0.00 O ATOM 430 CB ILE A 27 -21.837 -53.589 28.379 1.00 0.00 C ATOM 431 CG1 ILE A 27 -21.755 -52.339 29.241 1.00 0.00 C ATOM 432 CG2 ILE A 27 -23.302 -53.866 28.065 1.00 0.00 C ATOM 433 CD1 ILE A 27 -20.475 -51.608 28.892 1.00 0.00 C ATOM 0 H ILE A 27 -20.200 -53.296 30.233 1.00 0.00 H new ATOM 0 HA ILE A 27 -21.968 -55.394 29.581 1.00 0.00 H new ATOM 0 HB ILE A 27 -21.290 -53.440 27.448 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.619 -51.698 29.065 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.765 -52.605 30.298 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -23.731 -53.009 27.546 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -23.377 -54.749 27.431 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -23.847 -54.038 28.993 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.394 -50.706 29.499 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.621 -52.256 29.089 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -20.488 -51.335 27.837 1.00 0.00 H new ATOM 445 N THR A 28 -19.423 -55.071 27.464 1.00 0.00 N ATOM 446 CA THR A 28 -18.666 -55.808 26.453 1.00 0.00 C ATOM 447 C THR A 28 -17.600 -56.695 27.089 1.00 0.00 C ATOM 448 O THR A 28 -16.911 -57.441 26.396 1.00 0.00 O ATOM 449 CB THR A 28 -18.022 -54.842 25.453 1.00 0.00 C ATOM 450 OG1 THR A 28 -16.994 -55.518 24.743 1.00 0.00 O ATOM 451 CG2 THR A 28 -17.434 -53.640 26.191 1.00 0.00 C ATOM 0 H THR A 28 -19.100 -54.118 27.631 1.00 0.00 H new ATOM 0 HA THR A 28 -19.367 -56.452 25.922 1.00 0.00 H new ATOM 0 HB THR A 28 -18.780 -54.490 24.753 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.024 -56.474 24.955 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.978 -52.959 25.472 1.00 0.00 H new ATOM 0 HG22 THR A 28 -18.226 -53.121 26.731 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.677 -53.981 26.897 1.00 0.00 H new ATOM 459 N GLY A 29 -17.480 -56.623 28.409 1.00 0.00 N ATOM 460 CA GLY A 29 -16.504 -57.445 29.120 1.00 0.00 C ATOM 461 C GLY A 29 -15.068 -57.117 28.707 1.00 0.00 C ATOM 462 O GLY A 29 -14.162 -57.927 28.908 1.00 0.00 O ATOM 0 H GLY A 29 -18.039 -56.012 29.005 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.616 -57.293 30.194 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.706 -58.498 28.924 1.00 0.00 H new ATOM 466 N ILE A 30 -14.857 -55.934 28.135 1.00 0.00 N ATOM 467 CA ILE A 30 -13.513 -55.540 27.711 1.00 0.00 C ATOM 468 C ILE A 30 -12.593 -55.383 28.918 1.00 0.00 C ATOM 469 O ILE A 30 -13.057 -55.229 30.043 1.00 0.00 O ATOM 470 CB ILE A 30 -13.568 -54.224 26.934 1.00 0.00 C ATOM 471 CG1 ILE A 30 -14.054 -54.488 25.504 1.00 0.00 C ATOM 472 CG2 ILE A 30 -12.174 -53.598 26.891 1.00 0.00 C ATOM 473 CD1 ILE A 30 -13.101 -55.457 24.799 1.00 0.00 C ATOM 0 H ILE A 30 -15.584 -55.241 27.956 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.117 -56.323 27.065 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.259 -53.542 27.430 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.061 -54.905 25.524 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.108 -53.551 24.950 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -12.213 -52.660 26.337 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.830 -53.405 27.907 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.483 -54.282 26.398 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -13.453 -55.640 23.784 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.102 -55.023 24.764 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.069 -56.399 25.347 1.00 0.00 H new ATOM 485 N ASN A 31 -11.284 -55.428 28.679 1.00 0.00 N ATOM 486 CA ASN A 31 -10.317 -55.297 29.767 1.00 0.00 C ATOM 487 C ASN A 31 -9.451 -54.053 29.592 1.00 0.00 C ATOM 488 O ASN A 31 -9.394 -53.198 30.476 1.00 0.00 O ATOM 489 CB ASN A 31 -9.421 -56.535 29.811 1.00 0.00 C ATOM 490 CG ASN A 31 -9.041 -56.857 31.252 1.00 0.00 C ATOM 491 OD1 ASN A 31 -8.863 -55.949 32.065 1.00 0.00 O ATOM 492 ND2 ASN A 31 -8.904 -58.100 31.618 1.00 0.00 N ATOM 0 H ASN A 31 -10.872 -55.553 27.754 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.871 -55.202 30.701 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.939 -57.384 29.365 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.522 -56.364 29.219 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.649 -58.323 32.580 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.052 -58.850 30.943 1.00 0.00 H new ATOM 499 N ASP A 32 -8.772 -53.960 28.453 1.00 0.00 N ATOM 500 CA ASP A 32 -7.908 -52.815 28.184 1.00 0.00 C ATOM 501 C ASP A 32 -8.640 -51.509 28.477 1.00 0.00 C ATOM 502 O ASP A 32 -9.583 -51.146 27.776 1.00 0.00 O ATOM 503 CB ASP A 32 -7.454 -52.831 26.725 1.00 0.00 C ATOM 504 CG ASP A 32 -5.991 -52.413 26.628 1.00 0.00 C ATOM 505 OD1 ASP A 32 -5.673 -51.330 27.094 1.00 0.00 O ATOM 506 OD2 ASP A 32 -5.211 -53.180 26.090 1.00 0.00 O ATOM 0 H ASP A 32 -8.802 -54.656 27.708 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.036 -52.884 28.835 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.584 -53.829 26.306 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.073 -52.155 26.136 1.00 0.00 H new ATOM 511 N THR A 33 -8.199 -50.809 29.516 1.00 0.00 N ATOM 512 CA THR A 33 -8.821 -49.544 29.892 1.00 0.00 C ATOM 513 C THR A 33 -8.476 -48.452 28.884 1.00 0.00 C ATOM 514 O THR A 33 -9.164 -47.435 28.798 1.00 0.00 O ATOM 515 CB THR A 33 -8.343 -49.124 31.285 1.00 0.00 C ATOM 516 OG1 THR A 33 -6.936 -48.929 31.260 1.00 0.00 O ATOM 517 CG2 THR A 33 -8.694 -50.216 32.296 1.00 0.00 C ATOM 0 H THR A 33 -7.419 -51.093 30.109 1.00 0.00 H new ATOM 0 HA THR A 33 -9.902 -49.682 29.902 1.00 0.00 H new ATOM 0 HB THR A 33 -8.833 -48.195 31.575 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.627 -48.658 32.150 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.354 -49.917 33.287 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.774 -50.363 32.312 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.205 -51.147 32.010 1.00 0.00 H new ATOM 525 N GLN A 34 -7.408 -48.669 28.123 1.00 0.00 N ATOM 526 CA GLN A 34 -6.984 -47.694 27.127 1.00 0.00 C ATOM 527 C GLN A 34 -7.966 -47.656 25.962 1.00 0.00 C ATOM 528 O GLN A 34 -8.327 -46.586 25.474 1.00 0.00 O ATOM 529 CB GLN A 34 -5.590 -48.051 26.611 1.00 0.00 C ATOM 530 CG GLN A 34 -4.600 -48.026 27.775 1.00 0.00 C ATOM 531 CD GLN A 34 -3.694 -49.250 27.713 1.00 0.00 C ATOM 532 OE1 GLN A 34 -3.494 -49.844 26.568 1.00 0.00 O flip ATOM 533 NE2 GLN A 34 -3.157 -49.679 28.734 1.00 0.00 N flip ATOM 0 H GLN A 34 -6.825 -49.504 28.177 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.958 -46.710 27.596 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.602 -49.039 26.150 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.282 -47.343 25.841 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.000 -47.117 27.734 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.139 -48.010 28.722 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.315 -49.213 29.628 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.554 -50.500 28.687 1.00 0.00 H new ATOM 542 N ILE A 35 -8.393 -48.833 25.521 1.00 0.00 N ATOM 543 CA ILE A 35 -9.334 -48.926 24.413 1.00 0.00 C ATOM 544 C ILE A 35 -10.653 -48.248 24.772 1.00 0.00 C ATOM 545 O ILE A 35 -11.248 -47.555 23.947 1.00 0.00 O ATOM 546 CB ILE A 35 -9.584 -50.394 24.067 1.00 0.00 C ATOM 547 CG1 ILE A 35 -8.278 -51.031 23.588 1.00 0.00 C ATOM 548 CG2 ILE A 35 -10.633 -50.486 22.956 1.00 0.00 C ATOM 549 CD1 ILE A 35 -8.429 -52.553 23.557 1.00 0.00 C ATOM 0 H ILE A 35 -8.105 -49.730 25.911 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.905 -48.418 23.549 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.945 -50.920 24.951 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.024 -50.661 22.595 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.460 -50.750 24.252 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.811 -51.533 22.709 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.563 -50.030 23.295 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.273 -49.961 22.071 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.497 -53.004 23.215 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.662 -52.916 24.558 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.235 -52.825 22.875 1.00 0.00 H new ATOM 561 N LEU A 36 -11.102 -48.448 26.007 1.00 0.00 N ATOM 562 CA LEU A 36 -12.352 -47.844 26.456 1.00 0.00 C ATOM 563 C LEU A 36 -12.268 -46.324 26.376 1.00 0.00 C ATOM 564 O LEU A 36 -13.021 -45.691 25.637 1.00 0.00 O ATOM 565 CB LEU A 36 -12.663 -48.266 27.897 1.00 0.00 C ATOM 566 CG LEU A 36 -12.539 -49.787 28.044 1.00 0.00 C ATOM 567 CD1 LEU A 36 -13.118 -50.220 29.394 1.00 0.00 C ATOM 568 CD2 LEU A 36 -13.314 -50.487 26.923 1.00 0.00 C ATOM 0 H LEU A 36 -10.626 -49.016 26.707 1.00 0.00 H new ATOM 0 HA LEU A 36 -13.152 -48.191 25.802 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.978 -47.770 28.584 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.670 -47.949 28.167 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.486 -50.063 27.985 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.030 -51.301 29.498 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.568 -49.732 30.199 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.169 -49.935 29.447 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.220 -51.567 27.035 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.366 -50.206 26.978 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.908 -50.186 25.957 1.00 0.00 H new ATOM 580 N GLN A 37 -11.347 -45.743 27.135 1.00 0.00 N ATOM 581 CA GLN A 37 -11.180 -44.295 27.128 1.00 0.00 C ATOM 582 C GLN A 37 -11.238 -43.782 25.695 1.00 0.00 C ATOM 583 O GLN A 37 -11.640 -42.647 25.441 1.00 0.00 O ATOM 584 CB GLN A 37 -9.842 -43.910 27.777 1.00 0.00 C ATOM 585 CG GLN A 37 -8.778 -43.682 26.699 1.00 0.00 C ATOM 586 CD GLN A 37 -7.397 -43.584 27.340 1.00 0.00 C ATOM 587 OE1 GLN A 37 -7.229 -42.906 28.354 1.00 0.00 O ATOM 588 NE2 GLN A 37 -6.393 -44.224 26.806 1.00 0.00 N ATOM 0 H GLN A 37 -10.712 -46.244 27.756 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.986 -43.840 27.704 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.965 -43.006 28.373 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.519 -44.699 28.456 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.797 -44.501 25.979 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.998 -42.768 26.148 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.535 -44.785 25.966 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.467 -44.163 27.229 1.00 0.00 H new ATOM 597 N GLN A 38 -10.845 -44.642 24.764 1.00 0.00 N ATOM 598 CA GLN A 38 -10.864 -44.289 23.352 1.00 0.00 C ATOM 599 C GLN A 38 -12.295 -44.334 22.826 1.00 0.00 C ATOM 600 O GLN A 38 -12.706 -43.487 22.033 1.00 0.00 O ATOM 601 CB GLN A 38 -9.993 -45.268 22.562 1.00 0.00 C ATOM 602 CG GLN A 38 -9.204 -44.509 21.493 1.00 0.00 C ATOM 603 CD GLN A 38 -7.956 -43.883 22.107 1.00 0.00 C ATOM 604 OE1 GLN A 38 -7.771 -43.926 23.323 1.00 0.00 O ATOM 605 NE2 GLN A 38 -7.082 -43.300 21.332 1.00 0.00 N ATOM 0 H GLN A 38 -10.511 -45.585 24.961 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.470 -43.280 23.231 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.308 -45.785 23.234 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.617 -46.030 22.095 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.921 -45.188 20.688 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.829 -43.733 21.051 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.237 -43.265 20.324 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.244 -42.879 21.734 1.00 0.00 H new ATOM 614 N ALA A 39 -13.051 -45.327 23.289 1.00 0.00 N ATOM 615 CA ALA A 39 -14.440 -45.480 22.877 1.00 0.00 C ATOM 616 C ALA A 39 -15.276 -44.328 23.419 1.00 0.00 C ATOM 617 O ALA A 39 -16.168 -43.819 22.742 1.00 0.00 O ATOM 618 CB ALA A 39 -14.984 -46.812 23.392 1.00 0.00 C ATOM 0 H ALA A 39 -12.725 -46.034 23.947 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.494 -45.469 21.788 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.023 -46.925 23.083 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.392 -47.630 22.981 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -14.925 -46.833 24.480 1.00 0.00 H new ATOM 624 N LEU A 40 -14.966 -43.912 24.643 1.00 0.00 N ATOM 625 CA LEU A 40 -15.677 -42.804 25.270 1.00 0.00 C ATOM 626 C LEU A 40 -15.459 -41.539 24.446 1.00 0.00 C ATOM 627 O LEU A 40 -16.362 -40.719 24.287 1.00 0.00 O ATOM 628 CB LEU A 40 -15.149 -42.617 26.706 1.00 0.00 C ATOM 629 CG LEU A 40 -15.577 -41.264 27.303 1.00 0.00 C ATOM 630 CD1 LEU A 40 -14.813 -40.123 26.627 1.00 0.00 C ATOM 631 CD2 LEU A 40 -17.084 -41.055 27.124 1.00 0.00 C ATOM 0 H LEU A 40 -14.231 -44.323 25.218 1.00 0.00 H new ATOM 0 HA LEU A 40 -16.746 -43.014 25.312 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -15.519 -43.425 27.337 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -14.061 -42.685 26.705 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.345 -41.267 28.368 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.124 -39.171 27.058 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.743 -40.259 26.783 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.027 -40.125 25.558 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -17.371 -40.094 27.551 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.330 -41.068 26.062 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.625 -41.854 27.631 1.00 0.00 H new ATOM 643 N LYS A 41 -14.248 -41.399 23.916 1.00 0.00 N ATOM 644 CA LYS A 41 -13.897 -40.243 23.104 1.00 0.00 C ATOM 645 C LYS A 41 -14.797 -40.142 21.875 1.00 0.00 C ATOM 646 O LYS A 41 -15.255 -39.057 21.519 1.00 0.00 O ATOM 647 CB LYS A 41 -12.438 -40.351 22.659 1.00 0.00 C ATOM 648 CG LYS A 41 -11.876 -38.954 22.395 1.00 0.00 C ATOM 649 CD LYS A 41 -11.271 -38.397 23.686 1.00 0.00 C ATOM 650 CE LYS A 41 -10.028 -39.207 24.060 1.00 0.00 C ATOM 651 NZ LYS A 41 -10.347 -40.106 25.205 1.00 0.00 N ATOM 0 H LYS A 41 -13.493 -42.074 24.036 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.036 -39.346 23.708 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.849 -40.851 23.428 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.367 -40.959 21.757 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.117 -38.997 21.614 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.666 -38.294 22.036 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.008 -37.348 23.553 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.003 -38.442 24.492 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.693 -39.794 23.205 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.211 -38.537 24.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.538 -40.138 25.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.183 -39.745 25.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.544 -41.064 24.850 1.00 0.00 H new ATOM 665 N ASP A 42 -15.037 -41.275 21.225 1.00 0.00 N ATOM 666 CA ASP A 42 -15.873 -41.294 20.031 1.00 0.00 C ATOM 667 C ASP A 42 -17.354 -41.241 20.395 1.00 0.00 C ATOM 668 O ASP A 42 -18.123 -40.488 19.797 1.00 0.00 O ATOM 669 CB ASP A 42 -15.596 -42.561 19.220 1.00 0.00 C ATOM 670 CG ASP A 42 -15.718 -42.263 17.729 1.00 0.00 C ATOM 671 OD1 ASP A 42 -16.518 -41.413 17.378 1.00 0.00 O ATOM 672 OD2 ASP A 42 -15.008 -42.892 16.961 1.00 0.00 O ATOM 0 H ASP A 42 -14.668 -42.185 21.502 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.629 -40.414 19.436 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -14.597 -42.935 19.444 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.300 -43.344 19.502 1.00 0.00 H new ATOM 677 N SER A 43 -17.749 -42.055 21.367 1.00 0.00 N ATOM 678 CA SER A 43 -19.145 -42.105 21.790 1.00 0.00 C ATOM 679 C SER A 43 -19.573 -40.795 22.446 1.00 0.00 C ATOM 680 O SER A 43 -20.730 -40.388 22.342 1.00 0.00 O ATOM 681 CB SER A 43 -19.337 -43.253 22.775 1.00 0.00 C ATOM 682 OG SER A 43 -18.814 -42.877 24.043 1.00 0.00 O ATOM 0 H SER A 43 -17.128 -42.685 21.874 1.00 0.00 H new ATOM 0 HA SER A 43 -19.764 -42.262 20.906 1.00 0.00 H new ATOM 0 HB2 SER A 43 -20.395 -43.498 22.864 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.832 -44.148 22.411 1.00 0.00 H new ATOM 0 HG SER A 43 -19.353 -43.284 24.753 1.00 0.00 H new ATOM 688 N ASN A 44 -18.633 -40.133 23.109 1.00 0.00 N ATOM 689 CA ASN A 44 -18.924 -38.860 23.765 1.00 0.00 C ATOM 690 C ASN A 44 -19.881 -39.037 24.946 1.00 0.00 C ATOM 691 O ASN A 44 -20.842 -38.281 25.094 1.00 0.00 O ATOM 692 CB ASN A 44 -19.530 -37.882 22.756 1.00 0.00 C ATOM 693 CG ASN A 44 -18.803 -36.544 22.824 1.00 0.00 C ATOM 694 OD1 ASN A 44 -19.437 -35.490 22.799 1.00 0.00 O ATOM 695 ND2 ASN A 44 -17.501 -36.524 22.910 1.00 0.00 N ATOM 0 H ASN A 44 -17.669 -40.452 23.208 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.985 -38.463 24.149 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -19.457 -38.294 21.749 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -20.590 -37.740 22.966 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -17.007 -35.633 22.957 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -16.978 -37.399 22.931 1.00 0.00 H new ATOM 702 N GLY A 45 -19.603 -40.022 25.796 1.00 0.00 N ATOM 703 CA GLY A 45 -20.438 -40.263 26.973 1.00 0.00 C ATOM 704 C GLY A 45 -21.512 -41.313 26.707 1.00 0.00 C ATOM 705 O GLY A 45 -22.123 -41.833 27.641 1.00 0.00 O ATOM 0 H GLY A 45 -18.815 -40.661 25.695 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.810 -40.589 27.802 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.911 -39.330 27.279 1.00 0.00 H new ATOM 709 N ASN A 46 -21.736 -41.628 25.439 1.00 0.00 N ATOM 710 CA ASN A 46 -22.737 -42.626 25.080 1.00 0.00 C ATOM 711 C ASN A 46 -22.154 -44.026 25.272 1.00 0.00 C ATOM 712 O ASN A 46 -21.094 -44.342 24.737 1.00 0.00 O ATOM 713 CB ASN A 46 -23.177 -42.411 23.631 1.00 0.00 C ATOM 714 CG ASN A 46 -23.934 -41.093 23.505 1.00 0.00 C ATOM 715 OD1 ASN A 46 -24.903 -40.861 24.226 1.00 0.00 O ATOM 716 ND2 ASN A 46 -23.548 -40.211 22.622 1.00 0.00 N ATOM 0 H ASN A 46 -21.244 -41.213 24.648 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.610 -42.524 25.724 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.306 -42.404 22.975 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -23.812 -43.237 23.309 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -24.050 -39.328 22.530 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -22.744 -40.405 22.025 1.00 0.00 H new ATOM 723 N LEU A 47 -22.837 -44.856 26.060 1.00 0.00 N ATOM 724 CA LEU A 47 -22.341 -46.207 26.332 1.00 0.00 C ATOM 725 C LEU A 47 -22.761 -47.180 25.242 1.00 0.00 C ATOM 726 O LEU A 47 -21.914 -47.732 24.541 1.00 0.00 O ATOM 727 CB LEU A 47 -22.854 -46.701 27.690 1.00 0.00 C ATOM 728 CG LEU A 47 -22.161 -48.020 28.059 1.00 0.00 C ATOM 729 CD1 LEU A 47 -20.648 -47.806 28.159 1.00 0.00 C ATOM 730 CD2 LEU A 47 -22.682 -48.516 29.410 1.00 0.00 C ATOM 0 H LEU A 47 -23.720 -44.624 26.515 1.00 0.00 H new ATOM 0 HA LEU A 47 -21.252 -46.161 26.352 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -22.661 -45.951 28.457 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -23.934 -46.845 27.651 1.00 0.00 H new ATOM 0 HG LEU A 47 -22.375 -48.758 27.286 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -20.164 -48.747 28.421 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -20.266 -47.456 27.200 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -20.436 -47.062 28.927 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -22.188 -49.453 29.669 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -22.472 -47.771 30.177 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -23.758 -48.679 29.348 1.00 0.00 H new ATOM 742 N GLU A 48 -24.064 -47.381 25.081 1.00 0.00 N ATOM 743 CA GLU A 48 -24.531 -48.284 24.044 1.00 0.00 C ATOM 744 C GLU A 48 -23.712 -48.027 22.795 1.00 0.00 C ATOM 745 O GLU A 48 -23.604 -48.871 21.905 1.00 0.00 O ATOM 746 CB GLU A 48 -26.011 -48.059 23.754 1.00 0.00 C ATOM 747 CG GLU A 48 -26.677 -49.412 23.513 1.00 0.00 C ATOM 748 CD GLU A 48 -28.177 -49.230 23.309 1.00 0.00 C ATOM 749 OE1 GLU A 48 -28.569 -48.164 22.862 1.00 0.00 O ATOM 750 OE2 GLU A 48 -28.913 -50.158 23.603 1.00 0.00 O ATOM 0 H GLU A 48 -24.796 -46.943 25.640 1.00 0.00 H new ATOM 0 HA GLU A 48 -24.412 -49.316 24.374 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -26.486 -47.548 24.592 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -26.131 -47.418 22.880 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -26.239 -49.891 22.637 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -26.495 -50.072 24.361 1.00 0.00 H new ATOM 757 N LEU A 49 -23.125 -46.841 22.764 1.00 0.00 N ATOM 758 CA LEU A 49 -22.287 -46.426 21.659 1.00 0.00 C ATOM 759 C LEU A 49 -20.873 -46.906 21.887 1.00 0.00 C ATOM 760 O LEU A 49 -20.277 -47.536 21.018 1.00 0.00 O ATOM 761 CB LEU A 49 -22.306 -44.912 21.555 1.00 0.00 C ATOM 762 CG LEU A 49 -23.605 -44.506 20.886 1.00 0.00 C ATOM 763 CD1 LEU A 49 -23.575 -44.992 19.438 1.00 0.00 C ATOM 764 CD2 LEU A 49 -24.768 -45.174 21.626 1.00 0.00 C ATOM 0 H LEU A 49 -23.218 -46.144 23.503 1.00 0.00 H new ATOM 0 HA LEU A 49 -22.665 -46.857 20.732 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -22.229 -44.461 22.544 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -21.452 -44.559 20.976 1.00 0.00 H new ATOM 0 HG LEU A 49 -23.729 -43.423 20.911 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -24.502 -44.709 18.940 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -22.731 -44.538 18.919 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -23.470 -46.077 19.420 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -25.709 -44.891 21.155 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -24.652 -46.257 21.583 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -24.771 -44.850 22.667 1.00 0.00 H new ATOM 776 N ALA A 50 -20.350 -46.630 23.073 1.00 0.00 N ATOM 777 CA ALA A 50 -19.013 -47.075 23.400 1.00 0.00 C ATOM 778 C ALA A 50 -18.971 -48.589 23.265 1.00 0.00 C ATOM 779 O ALA A 50 -18.191 -49.131 22.485 1.00 0.00 O ATOM 780 CB ALA A 50 -18.633 -46.659 24.819 1.00 0.00 C ATOM 0 H ALA A 50 -20.825 -46.109 23.810 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.296 -46.615 22.720 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -17.624 -47.005 25.042 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -18.671 -45.573 24.902 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -19.333 -47.102 25.528 1.00 0.00 H new ATOM 786 N VAL A 51 -19.853 -49.269 24.000 1.00 0.00 N ATOM 787 CA VAL A 51 -19.928 -50.720 23.921 1.00 0.00 C ATOM 788 C VAL A 51 -20.002 -51.134 22.467 1.00 0.00 C ATOM 789 O VAL A 51 -19.287 -52.028 22.019 1.00 0.00 O ATOM 790 CB VAL A 51 -21.174 -51.223 24.646 1.00 0.00 C ATOM 791 CG1 VAL A 51 -22.401 -51.029 23.754 1.00 0.00 C ATOM 792 CG2 VAL A 51 -21.011 -52.709 24.961 1.00 0.00 C ATOM 0 H VAL A 51 -20.515 -48.841 24.647 1.00 0.00 H new ATOM 0 HA VAL A 51 -19.043 -51.149 24.391 1.00 0.00 H new ATOM 0 HB VAL A 51 -21.305 -50.662 25.571 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -23.289 -51.389 24.274 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -22.519 -49.970 23.523 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -22.270 -51.590 22.828 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -21.899 -53.071 25.479 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -20.880 -53.265 24.033 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -20.137 -52.853 25.596 1.00 0.00 H new ATOM 802 N ALA A 52 -20.873 -50.455 21.738 1.00 0.00 N ATOM 803 CA ALA A 52 -21.050 -50.726 20.329 1.00 0.00 C ATOM 804 C ALA A 52 -19.736 -50.497 19.601 1.00 0.00 C ATOM 805 O ALA A 52 -19.397 -51.224 18.672 1.00 0.00 O ATOM 806 CB ALA A 52 -22.136 -49.810 19.772 1.00 0.00 C ATOM 0 H ALA A 52 -21.468 -49.711 22.104 1.00 0.00 H new ATOM 0 HA ALA A 52 -21.354 -51.763 20.185 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -22.272 -50.012 18.709 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -23.072 -49.993 20.299 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -21.840 -48.770 19.909 1.00 0.00 H new ATOM 812 N PHE A 53 -18.989 -49.488 20.048 1.00 0.00 N ATOM 813 CA PHE A 53 -17.697 -49.181 19.440 1.00 0.00 C ATOM 814 C PHE A 53 -16.726 -50.335 19.654 1.00 0.00 C ATOM 815 O PHE A 53 -15.909 -50.643 18.786 1.00 0.00 O ATOM 816 CB PHE A 53 -17.111 -47.907 20.051 1.00 0.00 C ATOM 817 CG PHE A 53 -17.238 -46.767 19.072 1.00 0.00 C ATOM 818 CD1 PHE A 53 -16.484 -46.768 17.893 1.00 0.00 C ATOM 819 CD2 PHE A 53 -18.112 -45.709 19.343 1.00 0.00 C ATOM 820 CE1 PHE A 53 -16.604 -45.711 16.985 1.00 0.00 C ATOM 821 CE2 PHE A 53 -18.233 -44.651 18.435 1.00 0.00 C ATOM 822 CZ PHE A 53 -17.479 -44.652 17.255 1.00 0.00 C ATOM 0 H PHE A 53 -19.253 -48.876 20.820 1.00 0.00 H new ATOM 0 HA PHE A 53 -17.849 -49.030 18.371 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -17.632 -47.663 20.977 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -16.063 -48.064 20.307 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.809 -47.585 17.684 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.693 -45.709 20.253 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -16.022 -45.712 16.075 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -18.908 -43.834 18.644 1.00 0.00 H new ATOM 0 HZ PHE A 53 -17.572 -43.836 16.554 1.00 0.00 H new ATOM 832 N LEU A 54 -16.822 -50.970 20.817 1.00 0.00 N ATOM 833 CA LEU A 54 -15.950 -52.088 21.141 1.00 0.00 C ATOM 834 C LEU A 54 -16.295 -53.291 20.275 1.00 0.00 C ATOM 835 O LEU A 54 -15.449 -53.817 19.551 1.00 0.00 O ATOM 836 CB LEU A 54 -16.121 -52.463 22.613 1.00 0.00 C ATOM 837 CG LEU A 54 -15.266 -51.557 23.501 1.00 0.00 C ATOM 838 CD1 LEU A 54 -13.793 -51.687 23.117 1.00 0.00 C ATOM 839 CD2 LEU A 54 -15.701 -50.101 23.352 1.00 0.00 C ATOM 0 H LEU A 54 -17.493 -50.729 21.547 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.917 -51.794 20.953 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -17.170 -52.375 22.897 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.836 -53.504 22.764 1.00 0.00 H new ATOM 0 HG LEU A 54 -15.400 -51.865 24.538 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.192 -51.038 23.755 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.473 -52.721 23.247 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.661 -51.395 22.075 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.083 -49.469 23.990 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.585 -49.791 22.313 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.746 -50.002 23.646 1.00 0.00 H new ATOM 851 N THR A 55 -17.549 -53.720 20.356 1.00 0.00 N ATOM 852 CA THR A 55 -18.011 -54.859 19.578 1.00 0.00 C ATOM 853 C THR A 55 -18.300 -54.439 18.142 1.00 0.00 C ATOM 854 O THR A 55 -17.861 -55.089 17.194 1.00 0.00 O ATOM 855 CB THR A 55 -19.279 -55.438 20.207 1.00 0.00 C ATOM 856 OG1 THR A 55 -19.699 -56.574 19.464 1.00 0.00 O ATOM 857 CG2 THR A 55 -20.381 -54.379 20.195 1.00 0.00 C ATOM 0 H THR A 55 -18.261 -53.297 20.951 1.00 0.00 H new ATOM 0 HA THR A 55 -17.229 -55.618 19.574 1.00 0.00 H new ATOM 0 HB THR A 55 -19.074 -55.735 21.236 1.00 0.00 H new ATOM 0 HG1 THR A 55 -20.511 -56.947 19.867 1.00 0.00 H new ATOM 0 HG21 THR A 55 -21.286 -54.790 20.643 1.00 0.00 H new ATOM 0 HG22 THR A 55 -20.056 -53.509 20.766 1.00 0.00 H new ATOM 0 HG23 THR A 55 -20.588 -54.081 19.167 1.00 0.00 H new ATOM 1533 N ASP A 101 37.520 -7.279 -3.817 1.00 0.00 N ATOM 1534 CA ASP A 101 38.243 -6.063 -3.468 1.00 0.00 C ATOM 1535 C ASP A 101 39.600 -6.402 -2.861 1.00 0.00 C ATOM 1536 O ASP A 101 40.490 -5.552 -2.793 1.00 0.00 O ATOM 1537 CB ASP A 101 37.430 -5.232 -2.472 1.00 0.00 C ATOM 1538 CG ASP A 101 38.335 -4.219 -1.779 1.00 0.00 C ATOM 1539 OD1 ASP A 101 39.079 -4.622 -0.901 1.00 0.00 O ATOM 1540 OD2 ASP A 101 38.268 -3.055 -2.136 1.00 0.00 O ATOM 0 HA ASP A 101 38.397 -5.484 -4.379 1.00 0.00 H new ATOM 0 HB2 ASP A 101 36.622 -4.716 -2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 101 36.968 -5.885 -1.732 1.00 0.00 H new ATOM 1545 N LEU A 102 39.760 -7.647 -2.421 1.00 0.00 N ATOM 1546 CA LEU A 102 41.022 -8.065 -1.826 1.00 0.00 C ATOM 1547 C LEU A 102 42.141 -7.912 -2.836 1.00 0.00 C ATOM 1548 O LEU A 102 43.261 -7.535 -2.491 1.00 0.00 O ATOM 1549 CB LEU A 102 40.927 -9.512 -1.316 1.00 0.00 C ATOM 1550 CG LEU A 102 41.741 -10.453 -2.212 1.00 0.00 C ATOM 1551 CD1 LEU A 102 43.236 -10.237 -1.959 1.00 0.00 C ATOM 1552 CD2 LEU A 102 41.376 -11.904 -1.892 1.00 0.00 C ATOM 0 H LEU A 102 39.044 -8.372 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 102 41.241 -7.427 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 102 41.295 -9.567 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 102 39.884 -9.829 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 102 41.516 -10.242 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 102 43.813 -10.907 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 102 43.498 -9.204 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 102 43.462 -10.447 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 102 41.954 -12.574 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 102 41.601 -12.114 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 102 40.312 -12.060 -2.073 1.00 0.00 H new ATOM 1564 N GLN A 103 41.817 -8.168 -4.086 1.00 0.00 N ATOM 1565 CA GLN A 103 42.791 -8.014 -5.149 1.00 0.00 C ATOM 1566 C GLN A 103 43.314 -6.590 -5.100 1.00 0.00 C ATOM 1567 O GLN A 103 44.378 -6.270 -5.633 1.00 0.00 O ATOM 1568 CB GLN A 103 42.130 -8.275 -6.500 1.00 0.00 C ATOM 1569 CG GLN A 103 42.951 -9.300 -7.286 1.00 0.00 C ATOM 1570 CD GLN A 103 42.224 -9.675 -8.574 1.00 0.00 C ATOM 1571 OE1 GLN A 103 42.709 -9.389 -9.667 1.00 0.00 O ATOM 1572 NE2 GLN A 103 41.081 -10.303 -8.506 1.00 0.00 N ATOM 0 H GLN A 103 40.895 -8.481 -4.391 1.00 0.00 H new ATOM 0 HA GLN A 103 43.608 -8.724 -5.020 1.00 0.00 H new ATOM 0 HB2 GLN A 103 41.114 -8.643 -6.354 1.00 0.00 H new ATOM 0 HB3 GLN A 103 42.054 -7.346 -7.064 1.00 0.00 H new ATOM 0 HG2 GLN A 103 43.933 -8.889 -7.520 1.00 0.00 H new ATOM 0 HG3 GLN A 103 43.114 -10.190 -6.679 1.00 0.00 H new ATOM 0 HE21 GLN A 103 40.682 -10.539 -7.597 1.00 0.00 H new ATOM 0 HE22 GLN A 103 40.587 -10.558 -9.361 1.00 0.00 H new ATOM 1581 N ARG A 104 42.539 -5.745 -4.429 1.00 0.00 N ATOM 1582 CA ARG A 104 42.893 -4.343 -4.275 1.00 0.00 C ATOM 1583 C ARG A 104 43.876 -4.187 -3.125 1.00 0.00 C ATOM 1584 O ARG A 104 44.809 -3.386 -3.192 1.00 0.00 O ATOM 1585 CB ARG A 104 41.636 -3.515 -4.001 1.00 0.00 C ATOM 1586 CG ARG A 104 41.819 -2.103 -4.559 1.00 0.00 C ATOM 1587 CD ARG A 104 40.705 -1.197 -4.028 1.00 0.00 C ATOM 1588 NE ARG A 104 39.476 -1.964 -3.848 1.00 0.00 N ATOM 1589 CZ ARG A 104 38.293 -1.479 -4.221 1.00 0.00 C ATOM 1590 NH1 ARG A 104 38.205 -0.286 -4.746 1.00 0.00 N ATOM 1591 NH2 ARG A 104 37.215 -2.197 -4.057 1.00 0.00 N ATOM 0 H ARG A 104 41.660 -6.009 -3.983 1.00 0.00 H new ATOM 0 HA ARG A 104 43.357 -3.988 -5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 104 40.769 -3.989 -4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 104 41.444 -3.471 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 104 42.793 -1.709 -4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 104 41.796 -2.125 -5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 104 41.008 -0.753 -3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 104 40.531 -0.376 -4.723 1.00 0.00 H new ATOM 0 HE ARG A 104 39.524 -2.892 -3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 104 39.045 0.279 -4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 104 37.296 0.080 -5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 104 37.280 -3.127 -3.644 1.00 0.00 H new ATOM 0 HH22 ARG A 104 36.308 -1.828 -4.342 1.00 0.00 H new ATOM 1605 N ALA A 105 43.664 -4.969 -2.071 1.00 0.00 N ATOM 1606 CA ALA A 105 44.543 -4.924 -0.912 1.00 0.00 C ATOM 1607 C ALA A 105 45.980 -5.203 -1.337 1.00 0.00 C ATOM 1608 O ALA A 105 46.898 -4.461 -0.983 1.00 0.00 O ATOM 1609 CB ALA A 105 44.098 -5.961 0.123 1.00 0.00 C ATOM 0 H ALA A 105 42.896 -5.636 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 105 44.489 -3.930 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.761 -5.921 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.077 -5.745 0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 105 44.138 -6.957 -0.319 1.00 0.00 H new ATOM 1615 N ILE A 106 46.167 -6.269 -2.109 1.00 0.00 N ATOM 1616 CA ILE A 106 47.498 -6.623 -2.586 1.00 0.00 C ATOM 1617 C ILE A 106 48.041 -5.511 -3.461 1.00 0.00 C ATOM 1618 O ILE A 106 49.215 -5.148 -3.387 1.00 0.00 O ATOM 1619 CB ILE A 106 47.459 -7.928 -3.389 1.00 0.00 C ATOM 1620 CG1 ILE A 106 46.281 -8.792 -2.928 1.00 0.00 C ATOM 1621 CG2 ILE A 106 48.765 -8.697 -3.179 1.00 0.00 C ATOM 1622 CD1 ILE A 106 46.407 -9.079 -1.430 1.00 0.00 C ATOM 0 H ILE A 106 45.423 -6.896 -2.415 1.00 0.00 H new ATOM 0 HA ILE A 106 48.147 -6.763 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 106 47.338 -7.692 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 106 45.340 -8.280 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 106 46.263 -9.728 -3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 106 48.737 -9.625 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 106 49.604 -8.088 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 106 48.886 -8.926 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 106 45.567 -9.694 -1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 106 47.340 -9.609 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 106 46.403 -8.139 -0.878 1.00 0.00 H new ATOM 1634 N ALA A 107 47.161 -4.980 -4.280 1.00 0.00 N ATOM 1635 CA ALA A 107 47.513 -3.898 -5.186 1.00 0.00 C ATOM 1636 C ALA A 107 48.096 -2.721 -4.412 1.00 0.00 C ATOM 1637 O ALA A 107 49.140 -2.178 -4.777 1.00 0.00 O ATOM 1638 CB ALA A 107 46.275 -3.436 -5.956 1.00 0.00 C ATOM 0 H ALA A 107 46.188 -5.279 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 107 48.261 -4.267 -5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 107 46.548 -2.626 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 107 45.873 -4.269 -6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 107 45.520 -3.083 -5.253 1.00 0.00 H new ATOM 1644 N LEU A 108 47.411 -2.331 -3.342 1.00 0.00 N ATOM 1645 CA LEU A 108 47.859 -1.216 -2.517 1.00 0.00 C ATOM 1646 C LEU A 108 49.280 -1.448 -2.018 1.00 0.00 C ATOM 1647 O LEU A 108 50.060 -0.505 -1.876 1.00 0.00 O ATOM 1648 CB LEU A 108 46.920 -1.045 -1.322 1.00 0.00 C ATOM 1649 CG LEU A 108 46.822 0.437 -0.958 1.00 0.00 C ATOM 1650 CD1 LEU A 108 46.046 1.180 -2.046 1.00 0.00 C ATOM 1651 CD2 LEU A 108 46.090 0.583 0.379 1.00 0.00 C ATOM 0 H LEU A 108 46.546 -2.770 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 108 47.846 -0.312 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 108 45.932 -1.437 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 108 47.290 -1.616 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 108 47.824 0.859 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 108 45.976 2.236 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 108 46.564 1.074 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 108 45.044 0.760 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 108 46.019 1.639 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 108 45.088 0.162 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 108 46.641 0.053 1.155 1.00 0.00 H new ATOM 1663 N SER A 109 49.613 -2.706 -1.748 1.00 0.00 N ATOM 1664 CA SER A 109 50.947 -3.036 -1.261 1.00 0.00 C ATOM 1665 C SER A 109 51.948 -3.038 -2.405 1.00 0.00 C ATOM 1666 O SER A 109 53.003 -2.411 -2.318 1.00 0.00 O ATOM 1667 CB SER A 109 50.936 -4.404 -0.577 1.00 0.00 C ATOM 1668 OG SER A 109 50.043 -4.366 0.528 1.00 0.00 O ATOM 0 H SER A 109 48.987 -3.504 -1.856 1.00 0.00 H new ATOM 0 HA SER A 109 51.246 -2.278 -0.537 1.00 0.00 H new ATOM 0 HB2 SER A 109 50.627 -5.175 -1.283 1.00 0.00 H new ATOM 0 HB3 SER A 109 51.940 -4.664 -0.240 1.00 0.00 H new ATOM 0 HG SER A 109 50.031 -5.241 0.969 1.00 0.00 H new ATOM 1674 N LEU A 110 51.610 -3.732 -3.482 1.00 0.00 N ATOM 1675 CA LEU A 110 52.493 -3.781 -4.635 1.00 0.00 C ATOM 1676 C LEU A 110 52.944 -2.370 -4.981 1.00 0.00 C ATOM 1677 O LEU A 110 53.934 -2.174 -5.684 1.00 0.00 O ATOM 1678 CB LEU A 110 51.757 -4.394 -5.827 1.00 0.00 C ATOM 1679 CG LEU A 110 52.623 -5.473 -6.488 1.00 0.00 C ATOM 1680 CD1 LEU A 110 53.887 -4.833 -7.068 1.00 0.00 C ATOM 1681 CD2 LEU A 110 53.014 -6.529 -5.449 1.00 0.00 C ATOM 0 H LEU A 110 50.744 -4.261 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 110 53.362 -4.396 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 110 50.813 -4.827 -5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 110 51.515 -3.617 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 110 52.057 -5.948 -7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 110 54.501 -5.601 -7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 110 53.608 -4.087 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 110 54.452 -4.355 -6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 110 53.629 -7.294 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 110 53.577 -6.057 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 110 52.114 -6.988 -5.041 1.00 0.00 H new ATOM 1693 N ALA A 111 52.202 -1.392 -4.473 1.00 0.00 N ATOM 1694 CA ALA A 111 52.523 0.009 -4.722 1.00 0.00 C ATOM 1695 C ALA A 111 53.485 0.531 -3.663 1.00 0.00 C ATOM 1696 O ALA A 111 54.587 0.989 -3.976 1.00 0.00 O ATOM 1697 CB ALA A 111 51.246 0.847 -4.707 1.00 0.00 C ATOM 0 H ALA A 111 51.379 -1.542 -3.890 1.00 0.00 H new ATOM 0 HA ALA A 111 52.997 0.086 -5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 111 51.494 1.892 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 111 50.568 0.491 -5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 111 50.763 0.757 -3.734 1.00 0.00 H new ATOM 1703 N GLU A 112 53.067 0.450 -2.403 1.00 0.00 N ATOM 1704 CA GLU A 112 53.906 0.909 -1.307 1.00 0.00 C ATOM 1705 C GLU A 112 55.313 0.379 -1.502 1.00 0.00 C ATOM 1706 O GLU A 112 56.293 0.971 -1.046 1.00 0.00 O ATOM 1707 CB GLU A 112 53.341 0.411 0.023 1.00 0.00 C ATOM 1708 CG GLU A 112 53.895 -0.981 0.342 1.00 0.00 C ATOM 1709 CD GLU A 112 55.210 -0.860 1.107 1.00 0.00 C ATOM 1710 OE1 GLU A 112 55.159 -0.560 2.287 1.00 0.00 O ATOM 1711 OE2 GLU A 112 56.247 -1.071 0.500 1.00 0.00 O ATOM 0 H GLU A 112 52.162 0.075 -2.120 1.00 0.00 H new ATOM 0 HA GLU A 112 53.926 1.999 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 112 53.602 1.106 0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 112 52.253 0.375 -0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 112 53.172 -1.542 0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 112 54.052 -1.539 -0.581 1.00 0.00 H new ATOM 1718 N SER A 113 55.395 -0.740 -2.201 1.00 0.00 N ATOM 1719 CA SER A 113 56.676 -1.364 -2.486 1.00 0.00 C ATOM 1720 C SER A 113 57.293 -0.741 -3.732 1.00 0.00 C ATOM 1721 O SER A 113 58.485 -0.436 -3.759 1.00 0.00 O ATOM 1722 CB SER A 113 56.496 -2.867 -2.694 1.00 0.00 C ATOM 1723 OG SER A 113 57.741 -3.442 -3.067 1.00 0.00 O ATOM 0 H SER A 113 54.589 -1.236 -2.582 1.00 0.00 H new ATOM 0 HA SER A 113 57.341 -1.201 -1.638 1.00 0.00 H new ATOM 0 HB2 SER A 113 56.128 -3.331 -1.779 1.00 0.00 H new ATOM 0 HB3 SER A 113 55.751 -3.052 -3.467 1.00 0.00 H new ATOM 0 HG SER A 113 57.629 -4.407 -3.200 1.00 0.00 H new ATOM 1902 N GLU A 125 58.887 17.150 -14.236 1.00 0.00 N ATOM 1903 CA GLU A 125 59.065 18.594 -14.338 1.00 0.00 C ATOM 1904 C GLU A 125 60.473 18.993 -13.908 1.00 0.00 C ATOM 1905 O GLU A 125 61.150 19.756 -14.597 1.00 0.00 O ATOM 1906 CB GLU A 125 58.038 19.310 -13.460 1.00 0.00 C ATOM 1907 CG GLU A 125 56.679 18.622 -13.601 1.00 0.00 C ATOM 1908 CD GLU A 125 55.643 19.327 -12.731 1.00 0.00 C ATOM 1909 OE1 GLU A 125 55.089 20.313 -13.187 1.00 0.00 O ATOM 1910 OE2 GLU A 125 55.420 18.870 -11.621 1.00 0.00 O ATOM 0 HA GLU A 125 58.920 18.886 -15.378 1.00 0.00 H new ATOM 0 HB2 GLU A 125 58.360 19.294 -12.419 1.00 0.00 H new ATOM 0 HB3 GLU A 125 57.960 20.357 -13.753 1.00 0.00 H new ATOM 0 HG2 GLU A 125 56.361 18.637 -14.644 1.00 0.00 H new ATOM 0 HG3 GLU A 125 56.760 17.575 -13.308 1.00 0.00 H new ATOM 1917 N GLU A 126 60.905 18.474 -12.765 1.00 0.00 N ATOM 1918 CA GLU A 126 62.235 18.783 -12.251 1.00 0.00 C ATOM 1919 C GLU A 126 63.298 18.500 -13.308 1.00 0.00 C ATOM 1920 O GLU A 126 64.309 19.196 -13.388 1.00 0.00 O ATOM 1921 CB GLU A 126 62.517 17.946 -10.998 1.00 0.00 C ATOM 1922 CG GLU A 126 62.851 18.871 -9.825 1.00 0.00 C ATOM 1923 CD GLU A 126 63.362 18.053 -8.643 1.00 0.00 C ATOM 1924 OE1 GLU A 126 62.977 16.901 -8.535 1.00 0.00 O ATOM 1925 OE2 GLU A 126 64.129 18.592 -7.863 1.00 0.00 O ATOM 0 H GLU A 126 60.359 17.842 -12.180 1.00 0.00 H new ATOM 0 HA GLU A 126 62.270 19.842 -11.995 1.00 0.00 H new ATOM 0 HB2 GLU A 126 61.649 17.333 -10.755 1.00 0.00 H new ATOM 0 HB3 GLU A 126 63.347 17.264 -11.184 1.00 0.00 H new ATOM 0 HG2 GLU A 126 63.605 19.598 -10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 126 61.965 19.434 -9.532 1.00 0.00 H new ATOM 1932 N GLN A 127 63.064 17.471 -14.116 1.00 0.00 N ATOM 1933 CA GLN A 127 64.011 17.104 -15.164 1.00 0.00 C ATOM 1934 C GLN A 127 64.097 18.199 -16.224 1.00 0.00 C ATOM 1935 O GLN A 127 65.178 18.713 -16.512 1.00 0.00 O ATOM 1936 CB GLN A 127 63.583 15.790 -15.821 1.00 0.00 C ATOM 1937 CG GLN A 127 64.546 15.448 -16.957 1.00 0.00 C ATOM 1938 CD GLN A 127 64.229 14.063 -17.510 1.00 0.00 C ATOM 1939 OE1 GLN A 127 63.853 13.930 -18.675 1.00 0.00 O ATOM 1940 NE2 GLN A 127 64.356 13.017 -16.739 1.00 0.00 N ATOM 0 H GLN A 127 62.234 16.880 -14.067 1.00 0.00 H new ATOM 0 HA GLN A 127 64.993 16.980 -14.707 1.00 0.00 H new ATOM 0 HB2 GLN A 127 63.576 14.988 -15.083 1.00 0.00 H new ATOM 0 HB3 GLN A 127 62.567 15.878 -16.206 1.00 0.00 H new ATOM 0 HG2 GLN A 127 64.466 16.192 -17.749 1.00 0.00 H new ATOM 0 HG3 GLN A 127 65.574 15.478 -16.595 1.00 0.00 H new ATOM 0 HE21 GLN A 127 64.668 13.129 -15.774 1.00 0.00 H new ATOM 0 HE22 GLN A 127 64.144 12.088 -17.101 1.00 0.00 H new ATOM 1949 N ALA A 128 62.952 18.550 -16.801 1.00 0.00 N ATOM 1950 CA ALA A 128 62.912 19.584 -17.830 1.00 0.00 C ATOM 1951 C ALA A 128 63.750 20.789 -17.414 1.00 0.00 C ATOM 1952 O ALA A 128 64.752 21.110 -18.052 1.00 0.00 O ATOM 1953 CB ALA A 128 61.466 20.021 -18.071 1.00 0.00 C ATOM 0 H ALA A 128 62.046 18.138 -16.576 1.00 0.00 H new ATOM 0 HA ALA A 128 63.326 19.172 -18.751 1.00 0.00 H new ATOM 0 HB1 ALA A 128 61.443 20.793 -18.840 1.00 0.00 H new ATOM 0 HB2 ALA A 128 60.877 19.164 -18.399 1.00 0.00 H new ATOM 0 HB3 ALA A 128 61.047 20.417 -17.146 1.00 0.00 H new ATOM 1959 N ILE A 129 63.331 21.453 -16.342 1.00 0.00 N ATOM 1960 CA ILE A 129 64.051 22.622 -15.850 1.00 0.00 C ATOM 1961 C ILE A 129 65.555 22.364 -15.852 1.00 0.00 C ATOM 1962 O ILE A 129 66.347 23.248 -16.181 1.00 0.00 O ATOM 1963 CB ILE A 129 63.580 22.962 -14.431 1.00 0.00 C ATOM 1964 CG1 ILE A 129 62.393 23.924 -14.508 1.00 0.00 C ATOM 1965 CG2 ILE A 129 64.718 23.624 -13.650 1.00 0.00 C ATOM 1966 CD1 ILE A 129 61.281 23.303 -15.357 1.00 0.00 C ATOM 0 H ILE A 129 62.503 21.204 -15.801 1.00 0.00 H new ATOM 0 HA ILE A 129 63.843 23.464 -16.510 1.00 0.00 H new ATOM 0 HB ILE A 129 63.280 22.046 -13.923 1.00 0.00 H new ATOM 0 HG12 ILE A 129 62.022 24.140 -13.506 1.00 0.00 H new ATOM 0 HG13 ILE A 129 62.709 24.873 -14.942 1.00 0.00 H new ATOM 0 HG21 ILE A 129 64.377 23.863 -12.643 1.00 0.00 H new ATOM 0 HG22 ILE A 129 65.566 22.941 -13.594 1.00 0.00 H new ATOM 0 HG23 ILE A 129 65.023 24.540 -14.157 1.00 0.00 H new ATOM 0 HD11 ILE A 129 60.437 23.990 -15.410 1.00 0.00 H new ATOM 0 HD12 ILE A 129 61.656 23.110 -16.362 1.00 0.00 H new ATOM 0 HD13 ILE A 129 60.958 22.366 -14.904 1.00 0.00 H new ATOM 1978 N SER A 130 65.943 21.148 -15.480 1.00 0.00 N ATOM 1979 CA SER A 130 67.356 20.783 -15.440 1.00 0.00 C ATOM 1980 C SER A 130 67.953 20.772 -16.844 1.00 0.00 C ATOM 1981 O SER A 130 69.054 21.276 -17.067 1.00 0.00 O ATOM 1982 CB SER A 130 67.519 19.403 -14.802 1.00 0.00 C ATOM 1983 OG SER A 130 66.236 18.877 -14.487 1.00 0.00 O ATOM 0 H SER A 130 65.304 20.403 -15.204 1.00 0.00 H new ATOM 0 HA SER A 130 67.885 21.526 -14.843 1.00 0.00 H new ATOM 0 HB2 SER A 130 68.042 18.733 -15.485 1.00 0.00 H new ATOM 0 HB3 SER A 130 68.126 19.476 -13.900 1.00 0.00 H new ATOM 0 HG SER A 130 65.864 19.360 -13.719 1.00 0.00 H new ATOM 1989 N ARG A 131 67.221 20.191 -17.790 1.00 0.00 N ATOM 1990 CA ARG A 131 67.690 20.117 -19.169 1.00 0.00 C ATOM 1991 C ARG A 131 68.142 21.490 -19.656 1.00 0.00 C ATOM 1992 O ARG A 131 69.105 21.605 -20.414 1.00 0.00 O ATOM 1993 CB ARG A 131 66.572 19.595 -20.072 1.00 0.00 C ATOM 1994 CG ARG A 131 67.036 19.614 -21.531 1.00 0.00 C ATOM 1995 CD ARG A 131 68.315 18.786 -21.675 1.00 0.00 C ATOM 1996 NE ARG A 131 68.460 18.318 -23.051 1.00 0.00 N ATOM 1997 CZ ARG A 131 68.177 17.062 -23.391 1.00 0.00 C ATOM 1998 NH1 ARG A 131 67.752 16.215 -22.493 1.00 0.00 N ATOM 1999 NH2 ARG A 131 68.321 16.676 -24.631 1.00 0.00 N ATOM 0 H ARG A 131 66.307 19.768 -17.628 1.00 0.00 H new ATOM 0 HA ARG A 131 68.538 19.434 -19.209 1.00 0.00 H new ATOM 0 HB2 ARG A 131 66.299 18.581 -19.780 1.00 0.00 H new ATOM 0 HB3 ARG A 131 65.680 20.211 -19.956 1.00 0.00 H new ATOM 0 HG2 ARG A 131 66.256 19.211 -22.176 1.00 0.00 H new ATOM 0 HG3 ARG A 131 67.217 20.640 -21.852 1.00 0.00 H new ATOM 0 HD2 ARG A 131 69.180 19.387 -21.395 1.00 0.00 H new ATOM 0 HD3 ARG A 131 68.285 17.935 -20.995 1.00 0.00 H new ATOM 0 HE ARG A 131 68.785 18.967 -23.767 1.00 0.00 H new ATOM 0 HH11 ARG A 131 67.635 16.514 -21.525 1.00 0.00 H new ATOM 0 HH12 ARG A 131 67.537 15.254 -22.760 1.00 0.00 H new ATOM 0 HH21 ARG A 131 68.649 17.336 -25.336 1.00 0.00 H new ATOM 0 HH22 ARG A 131 68.105 15.715 -24.894 1.00 0.00 H new ATOM 2013 N VAL A 132 67.440 22.531 -19.215 1.00 0.00 N ATOM 2014 CA VAL A 132 67.779 23.893 -19.614 1.00 0.00 C ATOM 2015 C VAL A 132 69.022 24.374 -18.870 1.00 0.00 C ATOM 2016 O VAL A 132 70.052 24.658 -19.481 1.00 0.00 O ATOM 2017 CB VAL A 132 66.609 24.832 -19.314 1.00 0.00 C ATOM 2018 CG1 VAL A 132 66.842 26.178 -20.002 1.00 0.00 C ATOM 2019 CG2 VAL A 132 65.311 24.213 -19.836 1.00 0.00 C ATOM 0 H VAL A 132 66.640 22.458 -18.587 1.00 0.00 H new ATOM 0 HA VAL A 132 67.983 23.898 -20.685 1.00 0.00 H new ATOM 0 HB VAL A 132 66.534 24.983 -18.237 1.00 0.00 H new ATOM 0 HG11 VAL A 132 66.008 26.846 -19.787 1.00 0.00 H new ATOM 0 HG12 VAL A 132 67.766 26.621 -19.631 1.00 0.00 H new ATOM 0 HG13 VAL A 132 66.919 26.028 -21.079 1.00 0.00 H new ATOM 0 HG21 VAL A 132 64.477 24.882 -19.622 1.00 0.00 H new ATOM 0 HG22 VAL A 132 65.388 24.061 -20.913 1.00 0.00 H new ATOM 0 HG23 VAL A 132 65.142 23.254 -19.345 1.00 0.00 H new ATOM 2029 N LEU A 133 68.916 24.462 -17.548 1.00 0.00 N ATOM 2030 CA LEU A 133 70.034 24.911 -16.726 1.00 0.00 C ATOM 2031 C LEU A 133 71.333 24.244 -17.165 1.00 0.00 C ATOM 2032 O LEU A 133 72.377 24.891 -17.252 1.00 0.00 O ATOM 2033 CB LEU A 133 69.761 24.584 -15.255 1.00 0.00 C ATOM 2034 CG LEU A 133 68.919 25.698 -14.632 1.00 0.00 C ATOM 2035 CD1 LEU A 133 68.281 25.196 -13.335 1.00 0.00 C ATOM 2036 CD2 LEU A 133 69.813 26.902 -14.324 1.00 0.00 C ATOM 0 H LEU A 133 68.072 24.230 -17.025 1.00 0.00 H new ATOM 0 HA LEU A 133 70.138 25.989 -16.849 1.00 0.00 H new ATOM 0 HB2 LEU A 133 69.239 23.631 -15.174 1.00 0.00 H new ATOM 0 HB3 LEU A 133 70.702 24.479 -14.714 1.00 0.00 H new ATOM 0 HG LEU A 133 68.137 25.993 -15.331 1.00 0.00 H new ATOM 0 HD11 LEU A 133 67.681 25.992 -12.893 1.00 0.00 H new ATOM 0 HD12 LEU A 133 67.644 24.339 -13.551 1.00 0.00 H new ATOM 0 HD13 LEU A 133 69.063 24.900 -12.636 1.00 0.00 H new ATOM 0 HD21 LEU A 133 69.213 27.696 -13.880 1.00 0.00 H new ATOM 0 HD22 LEU A 133 70.596 26.605 -13.626 1.00 0.00 H new ATOM 0 HD23 LEU A 133 70.268 27.263 -15.247 1.00 0.00 H new ATOM 2048 N GLU A 134 71.264 22.945 -17.437 1.00 0.00 N ATOM 2049 CA GLU A 134 72.442 22.197 -17.863 1.00 0.00 C ATOM 2050 C GLU A 134 72.923 22.673 -19.232 1.00 0.00 C ATOM 2051 O GLU A 134 74.101 22.983 -19.412 1.00 0.00 O ATOM 2052 CB GLU A 134 72.114 20.702 -17.927 1.00 0.00 C ATOM 2053 CG GLU A 134 73.033 19.930 -16.976 1.00 0.00 C ATOM 2054 CD GLU A 134 74.428 19.810 -17.580 1.00 0.00 C ATOM 2055 OE1 GLU A 134 74.630 20.327 -18.667 1.00 0.00 O ATOM 2056 OE2 GLU A 134 75.276 19.204 -16.946 1.00 0.00 O ATOM 0 H GLU A 134 70.410 22.391 -17.371 1.00 0.00 H new ATOM 0 HA GLU A 134 73.236 22.367 -17.136 1.00 0.00 H new ATOM 0 HB2 GLU A 134 71.072 20.537 -17.655 1.00 0.00 H new ATOM 0 HB3 GLU A 134 72.239 20.336 -18.946 1.00 0.00 H new ATOM 0 HG2 GLU A 134 73.087 20.441 -16.015 1.00 0.00 H new ATOM 0 HG3 GLU A 134 72.623 18.938 -16.787 1.00 0.00 H new ATOM 2063 N ALA A 135 72.008 22.720 -20.195 1.00 0.00 N ATOM 2064 CA ALA A 135 72.356 23.149 -21.546 1.00 0.00 C ATOM 2065 C ALA A 135 72.550 24.660 -21.607 1.00 0.00 C ATOM 2066 O ALA A 135 72.746 25.225 -22.683 1.00 0.00 O ATOM 2067 CB ALA A 135 71.255 22.734 -22.525 1.00 0.00 C ATOM 0 H ALA A 135 71.028 22.469 -20.068 1.00 0.00 H new ATOM 0 HA ALA A 135 73.294 22.668 -21.824 1.00 0.00 H new ATOM 0 HB1 ALA A 135 71.522 23.058 -23.531 1.00 0.00 H new ATOM 0 HB2 ALA A 135 71.144 21.650 -22.510 1.00 0.00 H new ATOM 0 HB3 ALA A 135 70.314 23.199 -22.232 1.00 0.00 H new ATOM 2073 N SER A 136 72.494 25.313 -20.451 1.00 0.00 N ATOM 2074 CA SER A 136 72.668 26.761 -20.397 1.00 0.00 C ATOM 2075 C SER A 136 73.691 27.145 -19.333 1.00 0.00 C ATOM 2076 O SER A 136 73.922 28.329 -19.085 1.00 0.00 O ATOM 2077 CB SER A 136 71.333 27.438 -20.091 1.00 0.00 C ATOM 2078 OG SER A 136 71.389 28.017 -18.793 1.00 0.00 O ATOM 0 H SER A 136 72.331 24.869 -19.547 1.00 0.00 H new ATOM 0 HA SER A 136 73.032 27.096 -21.368 1.00 0.00 H new ATOM 0 HB2 SER A 136 71.122 28.205 -20.836 1.00 0.00 H new ATOM 0 HB3 SER A 136 70.522 26.711 -20.143 1.00 0.00 H new ATOM 0 HG SER A 136 70.535 28.454 -18.593 1.00 0.00 H new