USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=9 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 19 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 23 GLN : amide:sc= -7.62! K(o=-7.6!,f=-2) USER MOD Single : A 17 GLN : amide:sc= -3.57! C(o=-3.6!,f=-6!) USER MOD Single : A 18 GLN : amide:sc= -0.0309 X(o=-0.031,f=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 130:sc= -6.96! USER MOD Single : A 31 ASN : amide:sc= -1.2! K(o=-1.2!,f=-0.049) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00403 USER MOD Single : A 34 GLN : amide:sc= -0.382 K(o=-0.38,f=-2.8!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.997 K(o=-1,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 174:sc= -2.98! USER MOD Single : A 44 ASN : amide:sc= -6.96! C(o=-7!,f=-7.5!) USER MOD Single : A 46 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0948 X(o=-0.095,f=-0.095) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -85:sc= 0.0245 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 130 SER OG : rot 92:sc= 0.223 USER MOD Single : A 136 SER OG : rot -3:sc= 0.634! USER MOD ----------------------------------------------------------------- ATOM 250 N GLN A 17 -40.596 17.596 -5.763 1.00 0.00 N ATOM 251 CA GLN A 17 -41.451 18.590 -6.401 1.00 0.00 C ATOM 252 C GLN A 17 -40.956 20.000 -6.100 1.00 0.00 C ATOM 253 O GLN A 17 -41.202 20.933 -6.865 1.00 0.00 O ATOM 254 CB GLN A 17 -42.892 18.441 -5.913 1.00 0.00 C ATOM 255 CG GLN A 17 -43.650 17.493 -6.845 1.00 0.00 C ATOM 256 CD GLN A 17 -43.015 16.108 -6.810 1.00 0.00 C ATOM 257 OE1 GLN A 17 -41.814 15.967 -7.040 1.00 0.00 O ATOM 258 NE2 GLN A 17 -43.754 15.070 -6.533 1.00 0.00 N ATOM 0 HA GLN A 17 -41.415 18.425 -7.478 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -42.904 18.054 -4.894 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -43.382 19.414 -5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -44.695 17.431 -6.542 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -43.636 17.883 -7.863 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -44.749 15.189 -6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -43.337 14.140 -6.507 1.00 0.00 H new ATOM 267 N GLN A 18 -40.261 20.149 -4.977 1.00 0.00 N ATOM 268 CA GLN A 18 -39.741 21.451 -4.581 1.00 0.00 C ATOM 269 C GLN A 18 -38.824 22.019 -5.660 1.00 0.00 C ATOM 270 O GLN A 18 -39.068 23.105 -6.186 1.00 0.00 O ATOM 271 CB GLN A 18 -38.966 21.326 -3.267 1.00 0.00 C ATOM 272 CG GLN A 18 -39.942 21.051 -2.120 1.00 0.00 C ATOM 273 CD GLN A 18 -39.784 22.113 -1.037 1.00 0.00 C ATOM 274 OE1 GLN A 18 -40.745 22.803 -0.697 1.00 0.00 O ATOM 275 NE2 GLN A 18 -38.621 22.284 -0.470 1.00 0.00 N ATOM 0 H GLN A 18 -40.046 19.390 -4.330 1.00 0.00 H new ATOM 0 HA GLN A 18 -40.584 22.129 -4.446 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -38.236 20.519 -3.339 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -38.409 22.243 -3.073 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -40.966 21.051 -2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -39.755 20.062 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -37.826 21.711 -0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -38.507 22.991 0.257 1.00 0.00 H new ATOM 284 N THR A 19 -37.768 21.281 -5.984 1.00 0.00 N ATOM 285 CA THR A 19 -36.822 21.726 -7.001 1.00 0.00 C ATOM 286 C THR A 19 -37.430 21.587 -8.386 1.00 0.00 C ATOM 287 O THR A 19 -37.280 22.460 -9.242 1.00 0.00 O ATOM 288 CB THR A 19 -35.523 20.913 -6.895 1.00 0.00 C ATOM 289 OG1 THR A 19 -34.410 21.790 -6.986 1.00 0.00 O ATOM 290 CG2 THR A 19 -35.448 19.874 -8.018 1.00 0.00 C ATOM 0 H THR A 19 -37.546 20.379 -5.561 1.00 0.00 H new ATOM 0 HA THR A 19 -36.591 22.778 -6.836 1.00 0.00 H new ATOM 0 HB THR A 19 -35.509 20.394 -5.936 1.00 0.00 H new ATOM 0 HG1 THR A 19 -33.580 21.274 -6.917 1.00 0.00 H new ATOM 0 HG21 THR A 19 -34.521 19.307 -7.928 1.00 0.00 H new ATOM 0 HG22 THR A 19 -36.298 19.195 -7.943 1.00 0.00 H new ATOM 0 HG23 THR A 19 -35.472 20.379 -8.983 1.00 0.00 H new ATOM 298 N PHE A 20 -38.120 20.484 -8.585 1.00 0.00 N ATOM 299 CA PHE A 20 -38.771 20.211 -9.860 1.00 0.00 C ATOM 300 C PHE A 20 -39.608 21.408 -10.288 1.00 0.00 C ATOM 301 O PHE A 20 -39.371 22.010 -11.334 1.00 0.00 O ATOM 302 CB PHE A 20 -39.677 18.991 -9.723 1.00 0.00 C ATOM 303 CG PHE A 20 -39.959 18.414 -11.085 1.00 0.00 C ATOM 304 CD1 PHE A 20 -41.048 18.882 -11.827 1.00 0.00 C ATOM 305 CD2 PHE A 20 -39.136 17.408 -11.604 1.00 0.00 C ATOM 306 CE1 PHE A 20 -41.317 18.342 -13.088 1.00 0.00 C ATOM 307 CE2 PHE A 20 -39.405 16.871 -12.865 1.00 0.00 C ATOM 308 CZ PHE A 20 -40.496 17.337 -13.607 1.00 0.00 C ATOM 0 H PHE A 20 -38.248 19.757 -7.881 1.00 0.00 H new ATOM 0 HA PHE A 20 -38.005 20.020 -10.611 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -39.201 18.241 -9.091 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -40.611 19.272 -9.236 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -41.681 19.660 -11.426 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -38.295 17.048 -11.031 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -42.159 18.701 -13.661 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -38.770 16.095 -13.268 1.00 0.00 H new ATOM 0 HZ PHE A 20 -40.704 16.920 -14.581 1.00 0.00 H new ATOM 318 N LEU A 21 -40.589 21.744 -9.462 1.00 0.00 N ATOM 319 CA LEU A 21 -41.469 22.871 -9.744 1.00 0.00 C ATOM 320 C LEU A 21 -40.658 24.152 -9.862 1.00 0.00 C ATOM 321 O LEU A 21 -40.795 24.896 -10.833 1.00 0.00 O ATOM 322 CB LEU A 21 -42.511 23.018 -8.634 1.00 0.00 C ATOM 323 CG LEU A 21 -43.642 22.010 -8.856 1.00 0.00 C ATOM 324 CD1 LEU A 21 -44.384 21.775 -7.539 1.00 0.00 C ATOM 325 CD2 LEU A 21 -44.620 22.560 -9.900 1.00 0.00 C ATOM 0 H LEU A 21 -40.796 21.253 -8.592 1.00 0.00 H new ATOM 0 HA LEU A 21 -41.981 22.686 -10.688 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -42.047 22.852 -7.662 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -42.910 24.032 -8.628 1.00 0.00 H new ATOM 0 HG LEU A 21 -43.223 21.068 -9.210 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -45.189 21.057 -7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -43.690 21.383 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -44.802 22.717 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -45.425 21.842 -10.058 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -45.038 23.502 -9.546 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -44.093 22.727 -10.840 1.00 0.00 H new ATOM 337 N ASN A 22 -39.800 24.400 -8.877 1.00 0.00 N ATOM 338 CA ASN A 22 -38.966 25.593 -8.905 1.00 0.00 C ATOM 339 C ASN A 22 -38.382 25.763 -10.299 1.00 0.00 C ATOM 340 O ASN A 22 -38.330 26.869 -10.839 1.00 0.00 O ATOM 341 CB ASN A 22 -37.834 25.466 -7.884 1.00 0.00 C ATOM 342 CG ASN A 22 -37.272 26.845 -7.558 1.00 0.00 C ATOM 343 OD1 ASN A 22 -36.396 27.342 -8.267 1.00 0.00 O ATOM 344 ND2 ASN A 22 -37.725 27.497 -6.524 1.00 0.00 N ATOM 0 H ASN A 22 -39.666 23.801 -8.063 1.00 0.00 H new ATOM 0 HA ASN A 22 -39.572 26.463 -8.652 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -38.204 24.990 -6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -37.045 24.827 -8.280 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -37.354 28.421 -6.301 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -38.450 27.084 -5.938 1.00 0.00 H new ATOM 351 N GLN A 23 -37.963 24.647 -10.882 1.00 0.00 N ATOM 352 CA GLN A 23 -37.402 24.666 -12.226 1.00 0.00 C ATOM 353 C GLN A 23 -38.472 25.083 -13.228 1.00 0.00 C ATOM 354 O GLN A 23 -38.268 26.000 -14.022 1.00 0.00 O ATOM 355 CB GLN A 23 -36.870 23.276 -12.598 1.00 0.00 C ATOM 356 CG GLN A 23 -35.352 23.241 -12.415 1.00 0.00 C ATOM 357 CD GLN A 23 -35.003 23.319 -10.934 1.00 0.00 C ATOM 358 OE1 GLN A 23 -34.281 22.466 -10.420 1.00 0.00 O ATOM 359 NE2 GLN A 23 -35.477 24.298 -10.211 1.00 0.00 N ATOM 0 H GLN A 23 -38.001 23.724 -10.449 1.00 0.00 H new ATOM 0 HA GLN A 23 -36.581 25.382 -12.251 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -37.339 22.517 -11.972 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -37.127 23.042 -13.631 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -34.947 22.325 -12.845 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -34.894 24.073 -12.949 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -36.076 25.005 -10.639 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -35.249 24.356 -9.219 1.00 0.00 H new ATOM 368 N LEU A 24 -39.611 24.393 -13.183 1.00 0.00 N ATOM 369 CA LEU A 24 -40.718 24.674 -14.088 1.00 0.00 C ATOM 370 C LEU A 24 -40.944 26.173 -14.217 1.00 0.00 C ATOM 371 O LEU A 24 -41.411 26.650 -15.248 1.00 0.00 O ATOM 372 CB LEU A 24 -41.978 23.997 -13.564 1.00 0.00 C ATOM 373 CG LEU A 24 -42.074 22.598 -14.174 1.00 0.00 C ATOM 374 CD1 LEU A 24 -43.174 21.801 -13.473 1.00 0.00 C ATOM 375 CD2 LEU A 24 -42.398 22.717 -15.663 1.00 0.00 C ATOM 0 H LEU A 24 -39.789 23.633 -12.526 1.00 0.00 H new ATOM 0 HA LEU A 24 -40.475 24.283 -15.076 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -41.948 23.933 -12.476 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -42.859 24.584 -13.825 1.00 0.00 H new ATOM 0 HG LEU A 24 -41.123 22.082 -14.046 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -43.238 20.805 -13.912 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -42.941 21.716 -12.412 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -44.128 22.313 -13.595 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -42.467 21.721 -16.101 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -43.349 23.235 -15.788 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -41.610 23.279 -16.163 1.00 0.00 H new ATOM 387 N ARG A 25 -40.596 26.911 -13.177 1.00 0.00 N ATOM 388 CA ARG A 25 -40.744 28.358 -13.202 1.00 0.00 C ATOM 389 C ARG A 25 -39.492 28.995 -13.807 1.00 0.00 C ATOM 390 O ARG A 25 -39.522 30.129 -14.283 1.00 0.00 O ATOM 391 CB ARG A 25 -40.959 28.879 -11.775 1.00 0.00 C ATOM 392 CG ARG A 25 -41.019 30.409 -11.779 1.00 0.00 C ATOM 393 CD ARG A 25 -39.826 30.971 -11.003 1.00 0.00 C ATOM 394 NE ARG A 25 -39.971 32.412 -10.822 1.00 0.00 N ATOM 395 CZ ARG A 25 -40.454 32.921 -9.693 1.00 0.00 C ATOM 396 NH1 ARG A 25 -40.833 32.131 -8.726 1.00 0.00 N ATOM 397 NH2 ARG A 25 -40.554 34.216 -9.552 1.00 0.00 N ATOM 0 H ARG A 25 -40.211 26.537 -12.310 1.00 0.00 H new ATOM 0 HA ARG A 25 -41.607 28.622 -13.813 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -41.884 28.472 -11.366 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -40.149 28.540 -11.130 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -41.007 30.781 -12.804 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -41.952 30.748 -11.328 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -39.752 30.482 -10.032 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -38.901 30.756 -11.539 1.00 0.00 H new ATOM 0 HE ARG A 25 -39.696 33.041 -11.577 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -40.759 31.120 -8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -41.203 32.525 -7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -40.262 34.835 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -40.925 34.608 -8.686 1.00 0.00 H new ATOM 411 N GLU A 26 -38.384 28.260 -13.742 1.00 0.00 N ATOM 412 CA GLU A 26 -37.099 28.760 -14.243 1.00 0.00 C ATOM 413 C GLU A 26 -36.847 28.480 -15.735 1.00 0.00 C ATOM 414 O GLU A 26 -36.557 29.404 -16.495 1.00 0.00 O ATOM 415 CB GLU A 26 -35.962 28.148 -13.421 1.00 0.00 C ATOM 416 CG GLU A 26 -34.909 29.217 -13.133 1.00 0.00 C ATOM 417 CD GLU A 26 -34.614 30.015 -14.399 1.00 0.00 C ATOM 418 OE1 GLU A 26 -34.511 29.404 -15.450 1.00 0.00 O ATOM 419 OE2 GLU A 26 -34.496 31.224 -14.299 1.00 0.00 O ATOM 0 H GLU A 26 -38.346 27.319 -13.349 1.00 0.00 H new ATOM 0 HA GLU A 26 -37.135 29.844 -14.136 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -36.351 27.745 -12.486 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -35.513 27.317 -13.964 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -35.262 29.884 -12.347 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -33.995 28.749 -12.767 1.00 0.00 H new ATOM 426 N ILE A 27 -36.896 27.208 -16.144 1.00 0.00 N ATOM 427 CA ILE A 27 -36.600 26.854 -17.544 1.00 0.00 C ATOM 428 C ILE A 27 -37.441 27.662 -18.519 1.00 0.00 C ATOM 429 O ILE A 27 -36.913 28.371 -19.376 1.00 0.00 O ATOM 430 CB ILE A 27 -36.868 25.363 -17.821 1.00 0.00 C ATOM 431 CG1 ILE A 27 -36.895 24.560 -16.525 1.00 0.00 C ATOM 432 CG2 ILE A 27 -35.788 24.789 -18.732 1.00 0.00 C ATOM 433 CD1 ILE A 27 -38.350 24.345 -16.129 1.00 0.00 C ATOM 0 H ILE A 27 -37.132 26.418 -15.543 1.00 0.00 H new ATOM 0 HA ILE A 27 -35.543 27.078 -17.690 1.00 0.00 H new ATOM 0 HB ILE A 27 -37.841 25.290 -18.308 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -36.392 23.602 -16.661 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -36.361 25.091 -15.737 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -35.992 23.735 -18.918 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -35.784 25.330 -19.678 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -34.815 24.891 -18.252 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -38.394 23.772 -15.203 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -38.833 25.311 -15.981 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -38.865 23.798 -16.919 1.00 0.00 H new ATOM 445 N THR A 28 -38.751 27.528 -18.395 1.00 0.00 N ATOM 446 CA THR A 28 -39.667 28.225 -19.282 1.00 0.00 C ATOM 447 C THR A 28 -39.860 29.660 -18.817 1.00 0.00 C ATOM 448 O THR A 28 -40.385 30.500 -19.548 1.00 0.00 O ATOM 449 CB THR A 28 -41.007 27.486 -19.299 1.00 0.00 C ATOM 450 OG1 THR A 28 -42.068 28.425 -19.391 1.00 0.00 O ATOM 451 CG2 THR A 28 -41.147 26.671 -18.010 1.00 0.00 C ATOM 0 H THR A 28 -39.203 26.945 -17.691 1.00 0.00 H new ATOM 0 HA THR A 28 -39.253 28.246 -20.290 1.00 0.00 H new ATOM 0 HB THR A 28 -41.047 26.818 -20.159 1.00 0.00 H new ATOM 0 HG1 THR A 28 -42.676 28.161 -20.113 1.00 0.00 H new ATOM 0 HG21 THR A 28 -42.100 26.142 -18.016 1.00 0.00 H new ATOM 0 HG22 THR A 28 -40.332 25.950 -17.945 1.00 0.00 H new ATOM 0 HG23 THR A 28 -41.109 27.340 -17.150 1.00 0.00 H new ATOM 459 N GLY A 29 -39.422 29.932 -17.595 1.00 0.00 N ATOM 460 CA GLY A 29 -39.541 31.270 -17.028 1.00 0.00 C ATOM 461 C GLY A 29 -41.005 31.630 -16.840 1.00 0.00 C ATOM 462 O GLY A 29 -41.394 32.792 -16.962 1.00 0.00 O ATOM 0 H GLY A 29 -38.983 29.248 -16.979 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -39.022 31.315 -16.071 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -39.062 31.996 -17.685 1.00 0.00 H new ATOM 466 N ILE A 30 -41.813 30.617 -16.560 1.00 0.00 N ATOM 467 CA ILE A 30 -43.243 30.823 -16.376 1.00 0.00 C ATOM 468 C ILE A 30 -43.558 31.115 -14.910 1.00 0.00 C ATOM 469 O ILE A 30 -42.832 30.692 -14.011 1.00 0.00 O ATOM 470 CB ILE A 30 -43.996 29.574 -16.846 1.00 0.00 C ATOM 471 CG1 ILE A 30 -44.373 29.691 -18.335 1.00 0.00 C ATOM 472 CG2 ILE A 30 -45.276 29.404 -16.025 1.00 0.00 C ATOM 473 CD1 ILE A 30 -43.359 30.541 -19.109 1.00 0.00 C ATOM 0 H ILE A 30 -41.506 29.650 -16.456 1.00 0.00 H new ATOM 0 HA ILE A 30 -43.562 31.682 -16.967 1.00 0.00 H new ATOM 0 HB ILE A 30 -43.344 28.711 -16.710 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -44.427 28.696 -18.777 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -45.365 30.134 -18.426 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -45.809 28.515 -16.362 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -45.021 29.296 -14.971 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -45.912 30.280 -16.157 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -43.658 30.601 -20.155 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -43.325 31.544 -18.683 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -42.372 30.083 -19.039 1.00 0.00 H new ATOM 485 N ASN A 31 -44.645 31.846 -14.682 1.00 0.00 N ATOM 486 CA ASN A 31 -45.050 32.200 -13.325 1.00 0.00 C ATOM 487 C ASN A 31 -46.250 31.368 -12.885 1.00 0.00 C ATOM 488 O ASN A 31 -46.329 30.942 -11.735 1.00 0.00 O ATOM 489 CB ASN A 31 -45.407 33.686 -13.253 1.00 0.00 C ATOM 490 CG ASN A 31 -45.239 34.192 -11.825 1.00 0.00 C ATOM 491 OD1 ASN A 31 -45.318 35.395 -11.578 1.00 0.00 O ATOM 492 ND2 ASN A 31 -45.013 33.339 -10.863 1.00 0.00 N ATOM 0 H ASN A 31 -45.258 32.203 -15.415 1.00 0.00 H new ATOM 0 HA ASN A 31 -44.214 31.994 -12.656 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -44.767 34.256 -13.927 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -46.434 33.838 -13.583 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -44.902 33.669 -9.904 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -44.948 32.342 -11.070 1.00 0.00 H new ATOM 499 N ASP A 32 -47.183 31.142 -13.803 1.00 0.00 N ATOM 500 CA ASP A 32 -48.369 30.358 -13.484 1.00 0.00 C ATOM 501 C ASP A 32 -47.972 29.063 -12.787 1.00 0.00 C ATOM 502 O ASP A 32 -47.807 28.026 -13.429 1.00 0.00 O ATOM 503 CB ASP A 32 -49.146 30.037 -14.762 1.00 0.00 C ATOM 504 CG ASP A 32 -50.054 31.207 -15.128 1.00 0.00 C ATOM 505 OD1 ASP A 32 -50.963 31.488 -14.364 1.00 0.00 O ATOM 506 OD2 ASP A 32 -49.825 31.805 -16.166 1.00 0.00 O ATOM 0 H ASP A 32 -47.142 31.486 -14.762 1.00 0.00 H new ATOM 0 HA ASP A 32 -49.003 30.942 -12.816 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -48.452 29.835 -15.578 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -49.741 29.135 -14.619 1.00 0.00 H new ATOM 511 N THR A 33 -47.814 29.135 -11.470 1.00 0.00 N ATOM 512 CA THR A 33 -47.428 27.965 -10.688 1.00 0.00 C ATOM 513 C THR A 33 -48.466 26.856 -10.815 1.00 0.00 C ATOM 514 O THR A 33 -48.174 25.690 -10.551 1.00 0.00 O ATOM 515 CB THR A 33 -47.272 28.354 -9.216 1.00 0.00 C ATOM 516 OG1 THR A 33 -48.398 29.119 -8.809 1.00 0.00 O ATOM 517 CG2 THR A 33 -45.999 29.183 -9.040 1.00 0.00 C ATOM 0 H THR A 33 -47.946 29.986 -10.923 1.00 0.00 H new ATOM 0 HA THR A 33 -46.478 27.595 -11.074 1.00 0.00 H new ATOM 0 HB THR A 33 -47.204 27.454 -8.606 1.00 0.00 H new ATOM 0 HG1 THR A 33 -48.301 29.368 -7.866 1.00 0.00 H new ATOM 0 HG21 THR A 33 -45.887 29.460 -7.992 1.00 0.00 H new ATOM 0 HG22 THR A 33 -45.136 28.596 -9.354 1.00 0.00 H new ATOM 0 HG23 THR A 33 -46.065 30.085 -9.649 1.00 0.00 H new ATOM 525 N GLN A 34 -49.679 27.224 -11.216 1.00 0.00 N ATOM 526 CA GLN A 34 -50.753 26.247 -11.368 1.00 0.00 C ATOM 527 C GLN A 34 -50.455 25.281 -12.512 1.00 0.00 C ATOM 528 O GLN A 34 -50.554 24.062 -12.353 1.00 0.00 O ATOM 529 CB GLN A 34 -52.077 26.967 -11.640 1.00 0.00 C ATOM 530 CG GLN A 34 -52.657 27.495 -10.324 1.00 0.00 C ATOM 531 CD GLN A 34 -53.804 26.602 -9.861 1.00 0.00 C ATOM 532 OE1 GLN A 34 -54.411 25.897 -10.667 1.00 0.00 O ATOM 533 NE2 GLN A 34 -54.141 26.593 -8.599 1.00 0.00 N ATOM 0 H GLN A 34 -49.942 28.184 -11.440 1.00 0.00 H new ATOM 0 HA GLN A 34 -50.828 25.677 -10.442 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -51.918 27.791 -12.335 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -52.783 26.284 -12.112 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -51.879 27.526 -9.561 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -53.013 28.517 -10.458 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -53.637 27.178 -7.932 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -54.908 26.001 -8.280 1.00 0.00 H new ATOM 542 N ILE A 35 -50.097 25.832 -13.669 1.00 0.00 N ATOM 543 CA ILE A 35 -49.799 25.009 -14.834 1.00 0.00 C ATOM 544 C ILE A 35 -48.580 24.125 -14.586 1.00 0.00 C ATOM 545 O ILE A 35 -48.486 23.022 -15.124 1.00 0.00 O ATOM 546 CB ILE A 35 -49.543 25.900 -16.050 1.00 0.00 C ATOM 547 CG1 ILE A 35 -50.880 26.325 -16.661 1.00 0.00 C ATOM 548 CG2 ILE A 35 -48.733 25.123 -17.090 1.00 0.00 C ATOM 549 CD1 ILE A 35 -50.829 27.810 -17.021 1.00 0.00 C ATOM 0 H ILE A 35 -50.007 26.836 -13.823 1.00 0.00 H new ATOM 0 HA ILE A 35 -50.660 24.367 -15.022 1.00 0.00 H new ATOM 0 HB ILE A 35 -48.986 26.785 -15.741 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -51.090 25.732 -17.551 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -51.690 26.139 -15.955 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -48.550 25.758 -17.957 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -47.781 24.818 -16.656 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -49.290 24.239 -17.399 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -51.782 28.112 -17.456 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -50.639 28.396 -16.122 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -50.030 27.982 -17.742 1.00 0.00 H new ATOM 561 N LEU A 36 -47.647 24.612 -13.774 1.00 0.00 N ATOM 562 CA LEU A 36 -46.443 23.844 -13.478 1.00 0.00 C ATOM 563 C LEU A 36 -46.792 22.553 -12.744 1.00 0.00 C ATOM 564 O LEU A 36 -46.533 21.458 -13.241 1.00 0.00 O ATOM 565 CB LEU A 36 -45.477 24.670 -12.624 1.00 0.00 C ATOM 566 CG LEU A 36 -45.273 26.059 -13.248 1.00 0.00 C ATOM 567 CD1 LEU A 36 -43.997 26.702 -12.688 1.00 0.00 C ATOM 568 CD2 LEU A 36 -45.155 25.945 -14.772 1.00 0.00 C ATOM 0 H LEU A 36 -47.699 25.521 -13.315 1.00 0.00 H new ATOM 0 HA LEU A 36 -45.963 23.595 -14.425 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -45.870 24.772 -11.612 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -44.520 24.155 -12.544 1.00 0.00 H new ATOM 0 HG LEU A 36 -46.134 26.680 -13.000 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -43.859 27.686 -13.135 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -44.085 26.804 -11.606 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -43.139 26.073 -12.924 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -45.011 26.937 -15.201 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -44.304 25.313 -15.025 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -46.067 25.504 -15.176 1.00 0.00 H new ATOM 580 N GLN A 37 -47.381 22.687 -11.561 1.00 0.00 N ATOM 581 CA GLN A 37 -47.758 21.514 -10.777 1.00 0.00 C ATOM 582 C GLN A 37 -48.511 20.531 -11.660 1.00 0.00 C ATOM 583 O GLN A 37 -48.497 19.321 -11.426 1.00 0.00 O ATOM 584 CB GLN A 37 -48.646 21.900 -9.586 1.00 0.00 C ATOM 585 CG GLN A 37 -48.517 23.394 -9.280 1.00 0.00 C ATOM 586 CD GLN A 37 -48.721 23.638 -7.788 1.00 0.00 C ATOM 587 OE1 GLN A 37 -47.892 24.282 -7.145 1.00 0.00 O ATOM 588 NE2 GLN A 37 -49.783 23.162 -7.197 1.00 0.00 N ATOM 0 H GLN A 37 -47.606 23.582 -11.127 1.00 0.00 H new ATOM 0 HA GLN A 37 -46.845 21.057 -10.395 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -49.685 21.657 -9.807 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -48.361 21.318 -8.710 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -47.534 23.753 -9.585 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -49.254 23.956 -9.853 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -50.468 22.629 -7.732 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -49.927 23.323 -6.200 1.00 0.00 H new ATOM 597 N GLN A 38 -49.163 21.066 -12.684 1.00 0.00 N ATOM 598 CA GLN A 38 -49.923 20.239 -13.613 1.00 0.00 C ATOM 599 C GLN A 38 -48.992 19.596 -14.635 1.00 0.00 C ATOM 600 O GLN A 38 -49.179 18.441 -15.020 1.00 0.00 O ATOM 601 CB GLN A 38 -50.969 21.089 -14.335 1.00 0.00 C ATOM 602 CG GLN A 38 -52.325 20.913 -13.652 1.00 0.00 C ATOM 603 CD GLN A 38 -53.403 21.665 -14.427 1.00 0.00 C ATOM 604 OE1 GLN A 38 -54.593 21.396 -14.255 1.00 0.00 O ATOM 605 NE2 GLN A 38 -53.056 22.594 -15.274 1.00 0.00 N ATOM 0 H GLN A 38 -49.181 22.064 -12.892 1.00 0.00 H new ATOM 0 HA GLN A 38 -50.424 19.454 -13.047 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -50.675 22.138 -14.319 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -51.035 20.792 -15.382 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -52.578 19.854 -13.596 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -52.276 21.284 -12.628 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -52.070 22.814 -15.414 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -53.771 23.100 -15.797 1.00 0.00 H new ATOM 614 N ALA A 39 -47.983 20.349 -15.067 1.00 0.00 N ATOM 615 CA ALA A 39 -47.028 19.837 -16.039 1.00 0.00 C ATOM 616 C ALA A 39 -46.255 18.666 -15.447 1.00 0.00 C ATOM 617 O ALA A 39 -46.044 17.652 -16.109 1.00 0.00 O ATOM 618 CB ALA A 39 -46.059 20.945 -16.452 1.00 0.00 C ATOM 0 H ALA A 39 -47.809 21.306 -14.761 1.00 0.00 H new ATOM 0 HA ALA A 39 -47.571 19.493 -16.919 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -45.348 20.554 -17.179 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -46.617 21.769 -16.897 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -45.521 21.303 -15.575 1.00 0.00 H new ATOM 624 N LEU A 40 -45.846 18.810 -14.190 1.00 0.00 N ATOM 625 CA LEU A 40 -45.108 17.751 -13.513 1.00 0.00 C ATOM 626 C LEU A 40 -45.985 16.508 -13.409 1.00 0.00 C ATOM 627 O LEU A 40 -45.526 15.390 -13.640 1.00 0.00 O ATOM 628 CB LEU A 40 -44.677 18.236 -12.116 1.00 0.00 C ATOM 629 CG LEU A 40 -44.332 17.062 -11.179 1.00 0.00 C ATOM 630 CD1 LEU A 40 -45.608 16.330 -10.756 1.00 0.00 C ATOM 631 CD2 LEU A 40 -43.380 16.077 -11.868 1.00 0.00 C ATOM 0 H LEU A 40 -46.012 19.642 -13.624 1.00 0.00 H new ATOM 0 HA LEU A 40 -44.214 17.499 -14.083 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -43.811 18.891 -12.211 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -45.478 18.829 -11.675 1.00 0.00 H new ATOM 0 HG LEU A 40 -43.838 17.468 -10.296 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -45.351 15.503 -10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -46.268 17.022 -10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -46.116 15.943 -11.640 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -43.150 15.257 -11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -43.853 15.682 -12.767 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -42.458 16.592 -12.140 1.00 0.00 H new ATOM 643 N LYS A 41 -47.256 16.714 -13.075 1.00 0.00 N ATOM 644 CA LYS A 41 -48.188 15.602 -12.957 1.00 0.00 C ATOM 645 C LYS A 41 -48.149 14.756 -14.223 1.00 0.00 C ATOM 646 O LYS A 41 -48.314 13.538 -14.174 1.00 0.00 O ATOM 647 CB LYS A 41 -49.607 16.128 -12.724 1.00 0.00 C ATOM 648 CG LYS A 41 -49.768 16.519 -11.253 1.00 0.00 C ATOM 649 CD LYS A 41 -50.634 15.481 -10.535 1.00 0.00 C ATOM 650 CE LYS A 41 -51.035 16.020 -9.160 1.00 0.00 C ATOM 651 NZ LYS A 41 -52.456 16.470 -9.195 1.00 0.00 N ATOM 0 H LYS A 41 -47.659 17.631 -12.884 1.00 0.00 H new ATOM 0 HA LYS A 41 -47.896 14.985 -12.107 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -49.797 16.990 -13.364 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -50.338 15.365 -12.991 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -48.791 16.584 -10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -50.227 17.505 -11.177 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -51.523 15.261 -11.126 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -50.085 14.546 -10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -50.906 15.246 -8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -50.387 16.850 -8.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -52.727 16.836 -8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -52.565 17.221 -9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -53.068 15.667 -9.443 1.00 0.00 H new ATOM 665 N ASP A 42 -47.921 15.412 -15.358 1.00 0.00 N ATOM 666 CA ASP A 42 -47.852 14.708 -16.631 1.00 0.00 C ATOM 667 C ASP A 42 -46.434 14.195 -16.886 1.00 0.00 C ATOM 668 O ASP A 42 -46.243 13.059 -17.319 1.00 0.00 O ATOM 669 CB ASP A 42 -48.278 15.634 -17.772 1.00 0.00 C ATOM 670 CG ASP A 42 -49.610 16.298 -17.442 1.00 0.00 C ATOM 671 OD1 ASP A 42 -49.814 16.635 -16.288 1.00 0.00 O ATOM 672 OD2 ASP A 42 -50.409 16.462 -18.351 1.00 0.00 O ATOM 0 H ASP A 42 -47.782 16.421 -15.421 1.00 0.00 H new ATOM 0 HA ASP A 42 -48.532 13.857 -16.588 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -47.515 16.395 -17.937 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -48.366 15.065 -18.698 1.00 0.00 H new ATOM 677 N SER A 43 -45.446 15.044 -16.616 1.00 0.00 N ATOM 678 CA SER A 43 -44.046 14.675 -16.817 1.00 0.00 C ATOM 679 C SER A 43 -43.647 13.555 -15.861 1.00 0.00 C ATOM 680 O SER A 43 -42.779 12.739 -16.169 1.00 0.00 O ATOM 681 CB SER A 43 -43.152 15.892 -16.581 1.00 0.00 C ATOM 682 OG SER A 43 -42.234 15.604 -15.535 1.00 0.00 O ATOM 0 H SER A 43 -45.587 15.989 -16.259 1.00 0.00 H new ATOM 0 HA SER A 43 -43.922 14.324 -17.841 1.00 0.00 H new ATOM 0 HB2 SER A 43 -42.613 16.144 -17.494 1.00 0.00 H new ATOM 0 HB3 SER A 43 -43.759 16.759 -16.319 1.00 0.00 H new ATOM 0 HG SER A 43 -41.593 16.341 -15.450 1.00 0.00 H new ATOM 688 N ASN A 44 -44.295 13.528 -14.704 1.00 0.00 N ATOM 689 CA ASN A 44 -44.027 12.511 -13.692 1.00 0.00 C ATOM 690 C ASN A 44 -42.531 12.352 -13.420 1.00 0.00 C ATOM 691 O ASN A 44 -42.004 11.241 -13.455 1.00 0.00 O ATOM 692 CB ASN A 44 -44.614 11.166 -14.133 1.00 0.00 C ATOM 693 CG ASN A 44 -44.090 10.785 -15.512 1.00 0.00 C ATOM 694 OD1 ASN A 44 -43.118 10.036 -15.624 1.00 0.00 O ATOM 695 ND2 ASN A 44 -44.680 11.253 -16.577 1.00 0.00 N ATOM 0 H ASN A 44 -45.014 14.202 -14.441 1.00 0.00 H new ATOM 0 HA ASN A 44 -44.501 12.839 -12.767 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -44.351 10.393 -13.411 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -45.702 11.226 -14.154 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -44.337 10.999 -17.503 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -45.485 11.873 -16.483 1.00 0.00 H new ATOM 702 N GLY A 45 -41.857 13.459 -13.115 1.00 0.00 N ATOM 703 CA GLY A 45 -40.428 13.404 -12.802 1.00 0.00 C ATOM 704 C GLY A 45 -39.555 13.843 -13.974 1.00 0.00 C ATOM 705 O GLY A 45 -38.346 14.016 -13.819 1.00 0.00 O ATOM 0 H GLY A 45 -42.268 14.392 -13.078 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -40.223 14.041 -11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -40.161 12.387 -12.516 1.00 0.00 H new ATOM 709 N ASN A 46 -40.158 14.020 -15.140 1.00 0.00 N ATOM 710 CA ASN A 46 -39.401 14.439 -16.315 1.00 0.00 C ATOM 711 C ASN A 46 -39.494 15.957 -16.490 1.00 0.00 C ATOM 712 O ASN A 46 -40.578 16.502 -16.696 1.00 0.00 O ATOM 713 CB ASN A 46 -39.936 13.718 -17.551 1.00 0.00 C ATOM 714 CG ASN A 46 -39.639 12.226 -17.450 1.00 0.00 C ATOM 715 OD1 ASN A 46 -40.042 11.575 -16.486 1.00 0.00 O ATOM 716 ND2 ASN A 46 -38.953 11.642 -18.394 1.00 0.00 N ATOM 0 H ASN A 46 -41.156 13.883 -15.300 1.00 0.00 H new ATOM 0 HA ASN A 46 -38.352 14.177 -16.182 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -41.010 13.879 -17.640 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -39.477 14.129 -18.450 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -38.750 10.644 -18.334 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -38.620 12.183 -19.192 1.00 0.00 H new ATOM 723 N LEU A 47 -38.350 16.633 -16.384 1.00 0.00 N ATOM 724 CA LEU A 47 -38.311 18.094 -16.499 1.00 0.00 C ATOM 725 C LEU A 47 -38.409 18.542 -17.952 1.00 0.00 C ATOM 726 O LEU A 47 -39.380 19.192 -18.340 1.00 0.00 O ATOM 727 CB LEU A 47 -37.006 18.618 -15.890 1.00 0.00 C ATOM 728 CG LEU A 47 -37.200 20.049 -15.375 1.00 0.00 C ATOM 729 CD1 LEU A 47 -37.893 20.899 -16.442 1.00 0.00 C ATOM 730 CD2 LEU A 47 -38.058 20.026 -14.106 1.00 0.00 C ATOM 0 H LEU A 47 -37.442 16.197 -16.220 1.00 0.00 H new ATOM 0 HA LEU A 47 -39.168 18.500 -15.961 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -36.691 17.969 -15.073 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -36.213 18.597 -16.638 1.00 0.00 H new ATOM 0 HG LEU A 47 -36.225 20.481 -15.150 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -38.027 21.914 -16.068 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -37.280 20.922 -17.343 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -38.866 20.467 -16.676 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -38.195 21.044 -13.741 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -39.030 19.588 -14.332 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -37.560 19.430 -13.341 1.00 0.00 H new ATOM 742 N GLU A 48 -37.416 18.184 -18.758 1.00 0.00 N ATOM 743 CA GLU A 48 -37.437 18.552 -20.163 1.00 0.00 C ATOM 744 C GLU A 48 -38.839 18.329 -20.696 1.00 0.00 C ATOM 745 O GLU A 48 -39.238 18.887 -21.719 1.00 0.00 O ATOM 746 CB GLU A 48 -36.438 17.707 -20.955 1.00 0.00 C ATOM 747 CG GLU A 48 -36.126 18.397 -22.286 1.00 0.00 C ATOM 748 CD GLU A 48 -34.768 17.936 -22.806 1.00 0.00 C ATOM 749 OE1 GLU A 48 -34.215 17.015 -22.225 1.00 0.00 O ATOM 750 OE2 GLU A 48 -34.301 18.510 -23.774 1.00 0.00 O ATOM 0 H GLU A 48 -36.599 17.647 -18.466 1.00 0.00 H new ATOM 0 HA GLU A 48 -37.155 19.599 -20.271 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -35.522 17.573 -20.379 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -36.849 16.714 -21.136 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -36.902 18.166 -23.016 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -36.126 19.479 -22.153 1.00 0.00 H new ATOM 757 N LEU A 49 -39.572 17.493 -19.975 1.00 0.00 N ATOM 758 CA LEU A 49 -40.936 17.158 -20.335 1.00 0.00 C ATOM 759 C LEU A 49 -41.909 18.154 -19.735 1.00 0.00 C ATOM 760 O LEU A 49 -42.727 18.720 -20.447 1.00 0.00 O ATOM 761 CB LEU A 49 -41.256 15.761 -19.828 1.00 0.00 C ATOM 762 CG LEU A 49 -40.525 14.748 -20.700 1.00 0.00 C ATOM 763 CD1 LEU A 49 -41.172 14.728 -22.082 1.00 0.00 C ATOM 764 CD2 LEU A 49 -39.055 15.164 -20.833 1.00 0.00 C ATOM 0 H LEU A 49 -39.237 17.032 -19.129 1.00 0.00 H new ATOM 0 HA LEU A 49 -41.034 17.192 -21.420 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -40.948 15.656 -18.788 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -42.331 15.583 -19.862 1.00 0.00 H new ATOM 0 HG LEU A 49 -40.584 13.757 -20.249 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -40.656 14.006 -22.715 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -42.221 14.445 -21.989 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -41.102 15.719 -22.531 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -38.527 14.442 -21.456 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -38.996 16.151 -21.292 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -38.595 15.195 -19.845 1.00 0.00 H new ATOM 776 N ALA A 50 -41.815 18.372 -18.425 1.00 0.00 N ATOM 777 CA ALA A 50 -42.705 19.321 -17.775 1.00 0.00 C ATOM 778 C ALA A 50 -42.671 20.639 -18.532 1.00 0.00 C ATOM 779 O ALA A 50 -43.712 21.209 -18.851 1.00 0.00 O ATOM 780 CB ALA A 50 -42.291 19.545 -16.320 1.00 0.00 C ATOM 0 H ALA A 50 -41.145 17.914 -17.807 1.00 0.00 H new ATOM 0 HA ALA A 50 -43.717 18.917 -17.782 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -42.971 20.258 -15.854 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -42.332 18.599 -15.780 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -41.275 19.938 -16.287 1.00 0.00 H new ATOM 786 N VAL A 51 -41.462 21.103 -18.843 1.00 0.00 N ATOM 787 CA VAL A 51 -41.303 22.341 -19.593 1.00 0.00 C ATOM 788 C VAL A 51 -41.917 22.174 -20.966 1.00 0.00 C ATOM 789 O VAL A 51 -42.885 22.845 -21.324 1.00 0.00 O ATOM 790 CB VAL A 51 -39.821 22.676 -19.745 1.00 0.00 C ATOM 791 CG1 VAL A 51 -39.081 21.507 -20.389 1.00 0.00 C ATOM 792 CG2 VAL A 51 -39.662 23.919 -20.620 1.00 0.00 C ATOM 0 H VAL A 51 -40.588 20.643 -18.589 1.00 0.00 H new ATOM 0 HA VAL A 51 -41.800 23.149 -19.057 1.00 0.00 H new ATOM 0 HB VAL A 51 -39.400 22.866 -18.758 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -38.025 21.757 -20.492 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -39.184 20.621 -19.762 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -39.504 21.306 -21.373 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -38.603 24.156 -20.727 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -40.092 23.729 -21.603 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -40.177 24.760 -20.155 1.00 0.00 H new ATOM 802 N ALA A 52 -41.350 21.248 -21.720 1.00 0.00 N ATOM 803 CA ALA A 52 -41.837 20.957 -23.047 1.00 0.00 C ATOM 804 C ALA A 52 -43.353 20.808 -23.004 1.00 0.00 C ATOM 805 O ALA A 52 -44.045 21.068 -23.987 1.00 0.00 O ATOM 806 CB ALA A 52 -41.183 19.670 -23.538 1.00 0.00 C ATOM 0 H ALA A 52 -40.550 20.686 -21.430 1.00 0.00 H new ATOM 0 HA ALA A 52 -41.587 21.767 -23.732 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -41.543 19.439 -24.541 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -40.101 19.798 -23.561 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -41.437 18.852 -22.864 1.00 0.00 H new ATOM 812 N PHE A 53 -43.859 20.402 -21.842 1.00 0.00 N ATOM 813 CA PHE A 53 -45.296 20.239 -21.655 1.00 0.00 C ATOM 814 C PHE A 53 -45.993 21.592 -21.749 1.00 0.00 C ATOM 815 O PHE A 53 -47.088 21.701 -22.300 1.00 0.00 O ATOM 816 CB PHE A 53 -45.591 19.605 -20.289 1.00 0.00 C ATOM 817 CG PHE A 53 -46.320 18.297 -20.485 1.00 0.00 C ATOM 818 CD1 PHE A 53 -47.688 18.297 -20.785 1.00 0.00 C ATOM 819 CD2 PHE A 53 -45.629 17.083 -20.372 1.00 0.00 C ATOM 820 CE1 PHE A 53 -48.365 17.087 -20.970 1.00 0.00 C ATOM 821 CE2 PHE A 53 -46.307 15.872 -20.557 1.00 0.00 C ATOM 822 CZ PHE A 53 -47.675 15.874 -20.856 1.00 0.00 C ATOM 0 H PHE A 53 -43.297 20.181 -21.020 1.00 0.00 H new ATOM 0 HA PHE A 53 -45.673 19.583 -22.440 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -44.661 19.437 -19.746 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -46.195 20.282 -19.685 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -48.221 19.232 -20.874 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -44.574 17.082 -20.142 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -49.420 17.088 -21.201 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -45.775 14.936 -20.469 1.00 0.00 H new ATOM 0 HZ PHE A 53 -48.198 14.940 -20.999 1.00 0.00 H new ATOM 832 N LEU A 54 -45.348 22.624 -21.210 1.00 0.00 N ATOM 833 CA LEU A 54 -45.914 23.966 -21.243 1.00 0.00 C ATOM 834 C LEU A 54 -45.902 24.509 -22.667 1.00 0.00 C ATOM 835 O LEU A 54 -46.944 24.880 -23.210 1.00 0.00 O ATOM 836 CB LEU A 54 -45.111 24.896 -20.329 1.00 0.00 C ATOM 837 CG LEU A 54 -45.560 24.691 -18.871 1.00 0.00 C ATOM 838 CD1 LEU A 54 -44.973 23.389 -18.320 1.00 0.00 C ATOM 839 CD2 LEU A 54 -45.078 25.859 -18.005 1.00 0.00 C ATOM 0 H LEU A 54 -44.441 22.556 -20.749 1.00 0.00 H new ATOM 0 HA LEU A 54 -46.944 23.919 -20.891 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -44.045 24.688 -20.426 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -45.261 25.934 -20.625 1.00 0.00 H new ATOM 0 HG LEU A 54 -46.649 24.641 -18.847 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -45.296 23.252 -17.288 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -45.320 22.550 -18.923 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -43.885 23.437 -18.356 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -45.400 25.706 -16.975 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -43.990 25.914 -18.041 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -45.500 26.790 -18.382 1.00 0.00 H new ATOM 851 N THR A 55 -44.719 24.546 -23.270 1.00 0.00 N ATOM 852 CA THR A 55 -44.581 25.038 -24.637 1.00 0.00 C ATOM 853 C THR A 55 -44.966 23.944 -25.628 1.00 0.00 C ATOM 854 O THR A 55 -45.772 24.166 -26.530 1.00 0.00 O ATOM 855 CB THR A 55 -43.139 25.473 -24.892 1.00 0.00 C ATOM 856 OG1 THR A 55 -42.854 25.372 -26.281 1.00 0.00 O ATOM 857 CG2 THR A 55 -42.185 24.574 -24.104 1.00 0.00 C ATOM 0 H THR A 55 -43.846 24.243 -22.838 1.00 0.00 H new ATOM 0 HA THR A 55 -45.244 25.893 -24.770 1.00 0.00 H new ATOM 0 HB THR A 55 -43.008 26.506 -24.569 1.00 0.00 H new ATOM 0 HG1 THR A 55 -41.930 25.652 -26.446 1.00 0.00 H new ATOM 0 HG21 THR A 55 -41.157 24.886 -24.287 1.00 0.00 H new ATOM 0 HG22 THR A 55 -42.405 24.655 -23.039 1.00 0.00 H new ATOM 0 HG23 THR A 55 -42.313 23.540 -24.423 1.00 0.00 H new ATOM 1533 N ASP A 101 37.988 -5.717 -4.480 1.00 0.00 N ATOM 1534 CA ASP A 101 38.326 -5.225 -3.150 1.00 0.00 C ATOM 1535 C ASP A 101 39.644 -5.824 -2.670 1.00 0.00 C ATOM 1536 O ASP A 101 40.586 -5.097 -2.348 1.00 0.00 O ATOM 1537 CB ASP A 101 37.212 -5.579 -2.163 1.00 0.00 C ATOM 1538 CG ASP A 101 37.279 -4.658 -0.950 1.00 0.00 C ATOM 1539 OD1 ASP A 101 38.009 -4.978 -0.026 1.00 0.00 O ATOM 1540 OD2 ASP A 101 36.599 -3.645 -0.961 1.00 0.00 O ATOM 0 HA ASP A 101 38.434 -4.142 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 101 36.241 -5.484 -2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 101 37.311 -6.618 -1.847 1.00 0.00 H new ATOM 1545 N LEU A 102 39.713 -7.152 -2.622 1.00 0.00 N ATOM 1546 CA LEU A 102 40.934 -7.811 -2.174 1.00 0.00 C ATOM 1547 C LEU A 102 42.040 -7.619 -3.188 1.00 0.00 C ATOM 1548 O LEU A 102 43.182 -7.328 -2.832 1.00 0.00 O ATOM 1549 CB LEU A 102 40.689 -9.302 -1.930 1.00 0.00 C ATOM 1550 CG LEU A 102 40.383 -10.003 -3.255 1.00 0.00 C ATOM 1551 CD1 LEU A 102 41.656 -10.667 -3.787 1.00 0.00 C ATOM 1552 CD2 LEU A 102 39.311 -11.070 -3.026 1.00 0.00 C ATOM 0 H LEU A 102 38.954 -7.781 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 102 41.241 -7.356 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 102 41.566 -9.752 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 102 39.857 -9.434 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 102 40.024 -9.273 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 102 41.439 -11.167 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 102 42.423 -9.909 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 102 42.014 -11.399 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 102 39.090 -11.572 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 102 39.673 -11.800 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 102 38.405 -10.599 -2.644 1.00 0.00 H new ATOM 1564 N GLN A 103 41.688 -7.747 -4.449 1.00 0.00 N ATOM 1565 CA GLN A 103 42.659 -7.546 -5.507 1.00 0.00 C ATOM 1566 C GLN A 103 43.357 -6.221 -5.255 1.00 0.00 C ATOM 1567 O GLN A 103 44.449 -5.958 -5.759 1.00 0.00 O ATOM 1568 CB GLN A 103 41.957 -7.509 -6.863 1.00 0.00 C ATOM 1569 CG GLN A 103 42.698 -8.415 -7.847 1.00 0.00 C ATOM 1570 CD GLN A 103 42.423 -9.878 -7.515 1.00 0.00 C ATOM 1571 OE1 GLN A 103 41.283 -10.332 -7.605 1.00 0.00 O ATOM 1572 NE2 GLN A 103 43.407 -10.646 -7.136 1.00 0.00 N ATOM 0 H GLN A 103 40.749 -7.986 -4.766 1.00 0.00 H new ATOM 0 HA GLN A 103 43.381 -8.363 -5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 103 40.923 -7.837 -6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 103 41.930 -6.488 -7.243 1.00 0.00 H new ATOM 0 HG2 GLN A 103 42.378 -8.198 -8.866 1.00 0.00 H new ATOM 0 HG3 GLN A 103 43.769 -8.218 -7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 103 44.351 -10.267 -7.062 1.00 0.00 H new ATOM 0 HE22 GLN A 103 43.232 -11.626 -6.913 1.00 0.00 H new ATOM 1581 N ARG A 104 42.698 -5.399 -4.448 1.00 0.00 N ATOM 1582 CA ARG A 104 43.226 -4.091 -4.092 1.00 0.00 C ATOM 1583 C ARG A 104 44.153 -4.213 -2.891 1.00 0.00 C ATOM 1584 O ARG A 104 45.123 -3.470 -2.758 1.00 0.00 O ATOM 1585 CB ARG A 104 42.075 -3.142 -3.754 1.00 0.00 C ATOM 1586 CG ARG A 104 42.446 -1.718 -4.176 1.00 0.00 C ATOM 1587 CD ARG A 104 41.369 -0.744 -3.697 1.00 0.00 C ATOM 1588 NE ARG A 104 40.757 -0.068 -4.835 1.00 0.00 N ATOM 1589 CZ ARG A 104 39.651 0.654 -4.690 1.00 0.00 C ATOM 1590 NH1 ARG A 104 39.089 0.757 -3.516 1.00 0.00 N ATOM 1591 NH2 ARG A 104 39.127 1.260 -5.719 1.00 0.00 N ATOM 0 H ARG A 104 41.795 -5.617 -4.027 1.00 0.00 H new ATOM 0 HA ARG A 104 43.786 -3.694 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 104 41.166 -3.459 -4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 104 41.866 -3.173 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 104 43.413 -1.443 -3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 104 42.544 -1.663 -5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 104 40.608 -1.282 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 104 41.808 -0.009 -3.022 1.00 0.00 H new ATOM 0 HE ARG A 104 41.185 -0.151 -5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 104 39.499 0.283 -2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 104 38.240 1.311 -3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 104 39.566 1.180 -6.636 1.00 0.00 H new ATOM 0 HH22 ARG A 104 38.278 1.814 -5.607 1.00 0.00 H new ATOM 1605 N ALA A 105 43.833 -5.159 -2.017 1.00 0.00 N ATOM 1606 CA ALA A 105 44.628 -5.384 -0.816 1.00 0.00 C ATOM 1607 C ALA A 105 46.091 -5.663 -1.159 1.00 0.00 C ATOM 1608 O ALA A 105 46.990 -4.968 -0.680 1.00 0.00 O ATOM 1609 CB ALA A 105 44.054 -6.563 -0.030 1.00 0.00 C ATOM 0 H ALA A 105 43.031 -5.781 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 105 44.587 -4.478 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.651 -6.728 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.025 -6.344 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 105 44.076 -7.459 -0.650 1.00 0.00 H new ATOM 1615 N ILE A 106 46.332 -6.684 -1.977 1.00 0.00 N ATOM 1616 CA ILE A 106 47.704 -7.033 -2.345 1.00 0.00 C ATOM 1617 C ILE A 106 48.252 -6.084 -3.396 1.00 0.00 C ATOM 1618 O ILE A 106 49.444 -5.776 -3.413 1.00 0.00 O ATOM 1619 CB ILE A 106 47.787 -8.476 -2.858 1.00 0.00 C ATOM 1620 CG1 ILE A 106 46.383 -9.003 -3.162 1.00 0.00 C ATOM 1621 CG2 ILE A 106 48.442 -9.361 -1.795 1.00 0.00 C ATOM 1622 CD1 ILE A 106 45.809 -8.260 -4.369 1.00 0.00 C ATOM 0 H ILE A 106 45.612 -7.275 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 106 48.312 -6.943 -1.444 1.00 0.00 H new ATOM 0 HB ILE A 106 48.384 -8.496 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 106 46.421 -10.073 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 106 45.736 -8.865 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 106 48.500 -10.386 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 106 49.446 -8.993 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 106 47.847 -9.335 -0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 106 44.809 -8.635 -4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 106 45.756 -7.194 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 106 46.452 -8.420 -5.234 1.00 0.00 H new ATOM 1634 N ALA A 107 47.378 -5.627 -4.264 1.00 0.00 N ATOM 1635 CA ALA A 107 47.778 -4.710 -5.318 1.00 0.00 C ATOM 1636 C ALA A 107 48.300 -3.409 -4.717 1.00 0.00 C ATOM 1637 O ALA A 107 49.453 -3.033 -4.932 1.00 0.00 O ATOM 1638 CB ALA A 107 46.600 -4.415 -6.246 1.00 0.00 C ATOM 0 H ALA A 107 46.388 -5.872 -4.265 1.00 0.00 H new ATOM 0 HA ALA A 107 48.574 -5.179 -5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 107 46.917 -3.727 -7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 107 46.252 -5.344 -6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 107 45.790 -3.964 -5.673 1.00 0.00 H new ATOM 1644 N LEU A 108 47.447 -2.728 -3.955 1.00 0.00 N ATOM 1645 CA LEU A 108 47.845 -1.475 -3.326 1.00 0.00 C ATOM 1646 C LEU A 108 49.121 -1.676 -2.516 1.00 0.00 C ATOM 1647 O LEU A 108 49.979 -0.794 -2.461 1.00 0.00 O ATOM 1648 CB LEU A 108 46.729 -0.960 -2.414 1.00 0.00 C ATOM 1649 CG LEU A 108 46.686 0.568 -2.480 1.00 0.00 C ATOM 1650 CD1 LEU A 108 46.134 1.007 -3.837 1.00 0.00 C ATOM 1651 CD2 LEU A 108 45.781 1.104 -1.366 1.00 0.00 C ATOM 0 H LEU A 108 46.489 -3.019 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 108 48.031 -0.739 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 108 45.770 -1.376 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 108 46.902 -1.286 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 108 47.694 0.963 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 108 46.104 2.096 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 108 46.777 0.628 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 108 45.127 0.611 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 108 45.751 2.193 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 108 44.774 0.707 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 108 46.174 0.794 -0.398 1.00 0.00 H new ATOM 1663 N SER A 109 49.251 -2.847 -1.899 1.00 0.00 N ATOM 1664 CA SER A 109 50.442 -3.139 -1.112 1.00 0.00 C ATOM 1665 C SER A 109 51.659 -3.168 -2.021 1.00 0.00 C ATOM 1666 O SER A 109 52.647 -2.467 -1.781 1.00 0.00 O ATOM 1667 CB SER A 109 50.293 -4.480 -0.394 1.00 0.00 C ATOM 1668 OG SER A 109 51.581 -5.046 -0.188 1.00 0.00 O ATOM 0 H SER A 109 48.559 -3.596 -1.928 1.00 0.00 H new ATOM 0 HA SER A 109 50.570 -2.358 -0.362 1.00 0.00 H new ATOM 0 HB2 SER A 109 49.787 -4.340 0.561 1.00 0.00 H new ATOM 0 HB3 SER A 109 49.676 -5.156 -0.986 1.00 0.00 H new ATOM 0 HG SER A 109 51.491 -5.906 0.274 1.00 0.00 H new ATOM 1674 N LEU A 110 51.576 -3.956 -3.085 1.00 0.00 N ATOM 1675 CA LEU A 110 52.672 -4.029 -4.032 1.00 0.00 C ATOM 1676 C LEU A 110 53.099 -2.618 -4.382 1.00 0.00 C ATOM 1677 O LEU A 110 54.201 -2.383 -4.876 1.00 0.00 O ATOM 1678 CB LEU A 110 52.221 -4.752 -5.299 1.00 0.00 C ATOM 1679 CG LEU A 110 53.447 -5.237 -6.076 1.00 0.00 C ATOM 1680 CD1 LEU A 110 53.845 -6.633 -5.590 1.00 0.00 C ATOM 1681 CD2 LEU A 110 53.112 -5.294 -7.568 1.00 0.00 C ATOM 0 H LEU A 110 50.773 -4.544 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 110 53.504 -4.578 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 110 51.584 -5.598 -5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 110 51.626 -4.082 -5.920 1.00 0.00 H new ATOM 0 HG LEU A 110 54.276 -4.548 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 110 54.718 -6.976 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 110 54.083 -6.594 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 110 53.018 -7.324 -5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 110 53.984 -5.639 -8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 110 52.283 -5.983 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 110 52.830 -4.300 -7.916 1.00 0.00 H new ATOM 1693 N ALA A 111 52.202 -1.678 -4.103 1.00 0.00 N ATOM 1694 CA ALA A 111 52.471 -0.272 -4.372 1.00 0.00 C ATOM 1695 C ALA A 111 53.483 0.260 -3.370 1.00 0.00 C ATOM 1696 O ALA A 111 54.520 0.806 -3.751 1.00 0.00 O ATOM 1697 CB ALA A 111 51.183 0.542 -4.279 1.00 0.00 C ATOM 0 H ALA A 111 51.287 -1.864 -3.693 1.00 0.00 H new ATOM 0 HA ALA A 111 52.875 -0.181 -5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 111 51.400 1.591 -4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 111 50.465 0.171 -5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 111 50.763 0.446 -3.278 1.00 0.00 H new ATOM 1703 N GLU A 112 53.188 0.085 -2.086 1.00 0.00 N ATOM 1704 CA GLU A 112 54.100 0.541 -1.050 1.00 0.00 C ATOM 1705 C GLU A 112 55.511 0.104 -1.409 1.00 0.00 C ATOM 1706 O GLU A 112 56.497 0.699 -0.970 1.00 0.00 O ATOM 1707 CB GLU A 112 53.706 -0.050 0.305 1.00 0.00 C ATOM 1708 CG GLU A 112 52.246 0.293 0.612 1.00 0.00 C ATOM 1709 CD GLU A 112 52.146 1.715 1.155 1.00 0.00 C ATOM 1710 OE1 GLU A 112 52.024 2.627 0.353 1.00 0.00 O ATOM 1711 OE2 GLU A 112 52.190 1.870 2.364 1.00 0.00 O ATOM 0 H GLU A 112 52.338 -0.362 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 112 54.052 1.628 -0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 112 53.841 -1.132 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 112 54.355 0.344 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 112 51.644 0.197 -0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 112 51.844 -0.412 1.340 1.00 0.00 H new ATOM 1718 N SER A 113 55.591 -0.937 -2.230 1.00 0.00 N ATOM 1719 CA SER A 113 56.878 -1.454 -2.670 1.00 0.00 C ATOM 1720 C SER A 113 57.352 -0.687 -3.898 1.00 0.00 C ATOM 1721 O SER A 113 58.517 -0.299 -3.989 1.00 0.00 O ATOM 1722 CB SER A 113 56.762 -2.940 -3.004 1.00 0.00 C ATOM 1723 OG SER A 113 57.183 -3.154 -4.344 1.00 0.00 O ATOM 0 H SER A 113 54.783 -1.436 -2.602 1.00 0.00 H new ATOM 0 HA SER A 113 57.602 -1.327 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 113 57.375 -3.527 -2.320 1.00 0.00 H new ATOM 0 HB3 SER A 113 55.732 -3.274 -2.876 1.00 0.00 H new ATOM 0 HG SER A 113 56.431 -2.996 -4.952 1.00 0.00 H new ATOM 1902 N GLU A 125 80.122 1.457 -7.501 1.00 0.00 N ATOM 1903 CA GLU A 125 80.263 0.554 -6.365 1.00 0.00 C ATOM 1904 C GLU A 125 81.484 -0.345 -6.541 1.00 0.00 C ATOM 1905 O GLU A 125 82.218 -0.604 -5.587 1.00 0.00 O ATOM 1906 CB GLU A 125 79.007 -0.308 -6.227 1.00 0.00 C ATOM 1907 CG GLU A 125 79.094 -1.136 -4.944 1.00 0.00 C ATOM 1908 CD GLU A 125 78.218 -0.512 -3.862 1.00 0.00 C ATOM 1909 OE1 GLU A 125 77.191 0.047 -4.207 1.00 0.00 O ATOM 1910 OE2 GLU A 125 78.590 -0.601 -2.703 1.00 0.00 O ATOM 0 HA GLU A 125 80.395 1.152 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 125 78.120 0.325 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 125 78.908 -0.966 -7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 125 78.773 -2.159 -5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 125 80.128 -1.186 -4.603 1.00 0.00 H new ATOM 1917 N GLU A 126 81.694 -0.815 -7.765 1.00 0.00 N ATOM 1918 CA GLU A 126 82.829 -1.683 -8.057 1.00 0.00 C ATOM 1919 C GLU A 126 84.141 -0.982 -7.721 1.00 0.00 C ATOM 1920 O GLU A 126 85.078 -1.604 -7.222 1.00 0.00 O ATOM 1921 CB GLU A 126 82.819 -2.068 -9.538 1.00 0.00 C ATOM 1922 CG GLU A 126 81.512 -2.788 -9.870 1.00 0.00 C ATOM 1923 CD GLU A 126 80.500 -1.796 -10.434 1.00 0.00 C ATOM 1924 OE1 GLU A 126 80.718 -0.605 -10.282 1.00 0.00 O ATOM 1925 OE2 GLU A 126 79.520 -2.241 -11.011 1.00 0.00 O ATOM 0 H GLU A 126 81.097 -0.611 -8.567 1.00 0.00 H new ATOM 0 HA GLU A 126 82.745 -2.581 -7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 126 82.923 -1.177 -10.157 1.00 0.00 H new ATOM 0 HB3 GLU A 126 83.669 -2.713 -9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 126 81.698 -3.582 -10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 126 81.110 -3.261 -8.974 1.00 0.00 H new ATOM 1932 N GLN A 127 84.198 0.317 -7.995 1.00 0.00 N ATOM 1933 CA GLN A 127 85.400 1.094 -7.717 1.00 0.00 C ATOM 1934 C GLN A 127 85.550 1.328 -6.218 1.00 0.00 C ATOM 1935 O GLN A 127 86.658 1.300 -5.682 1.00 0.00 O ATOM 1936 CB GLN A 127 85.328 2.438 -8.444 1.00 0.00 C ATOM 1937 CG GLN A 127 85.426 2.205 -9.952 1.00 0.00 C ATOM 1938 CD GLN A 127 84.673 3.300 -10.700 1.00 0.00 C ATOM 1939 OE1 GLN A 127 83.446 3.376 -10.625 1.00 0.00 O ATOM 1940 NE2 GLN A 127 85.338 4.158 -11.424 1.00 0.00 N ATOM 0 H GLN A 127 83.432 0.851 -8.406 1.00 0.00 H new ATOM 0 HA GLN A 127 86.266 0.535 -8.072 1.00 0.00 H new ATOM 0 HB2 GLN A 127 84.394 2.945 -8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 127 86.138 3.088 -8.112 1.00 0.00 H new ATOM 0 HG2 GLN A 127 86.472 2.196 -10.260 1.00 0.00 H new ATOM 0 HG3 GLN A 127 85.011 1.229 -10.205 1.00 0.00 H new ATOM 0 HE21 GLN A 127 86.354 4.094 -11.485 1.00 0.00 H new ATOM 0 HE22 GLN A 127 84.842 4.893 -11.928 1.00 0.00 H new ATOM 1949 N ALA A 128 84.428 1.561 -5.547 1.00 0.00 N ATOM 1950 CA ALA A 128 84.444 1.801 -4.108 1.00 0.00 C ATOM 1951 C ALA A 128 85.022 0.598 -3.367 1.00 0.00 C ATOM 1952 O ALA A 128 85.968 0.732 -2.591 1.00 0.00 O ATOM 1953 CB ALA A 128 83.024 2.072 -3.608 1.00 0.00 C ATOM 0 H ALA A 128 83.501 1.589 -5.972 1.00 0.00 H new ATOM 0 HA ALA A 128 85.072 2.670 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 128 83.045 2.250 -2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 128 82.622 2.950 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 128 82.393 1.209 -3.821 1.00 0.00 H new ATOM 1959 N ILE A 129 84.445 -0.574 -3.609 1.00 0.00 N ATOM 1960 CA ILE A 129 84.911 -1.793 -2.955 1.00 0.00 C ATOM 1961 C ILE A 129 86.376 -2.054 -3.288 1.00 0.00 C ATOM 1962 O ILE A 129 87.137 -2.535 -2.448 1.00 0.00 O ATOM 1963 CB ILE A 129 84.067 -2.985 -3.407 1.00 0.00 C ATOM 1964 CG1 ILE A 129 84.137 -3.105 -4.931 1.00 0.00 C ATOM 1965 CG2 ILE A 129 82.613 -2.776 -2.976 1.00 0.00 C ATOM 1966 CD1 ILE A 129 83.335 -4.326 -5.387 1.00 0.00 C ATOM 0 H ILE A 129 83.661 -0.706 -4.247 1.00 0.00 H new ATOM 0 HA ILE A 129 84.811 -1.663 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 129 84.450 -3.898 -2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 129 83.740 -2.202 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 129 85.175 -3.199 -5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 129 82.012 -3.626 -3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 129 82.564 -2.688 -1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 129 82.226 -1.864 -3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 129 83.386 -4.410 -6.473 1.00 0.00 H new ATOM 0 HD12 ILE A 129 83.752 -5.225 -4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 129 82.295 -4.214 -5.080 1.00 0.00 H new ATOM 1978 N SER A 130 86.764 -1.737 -4.518 1.00 0.00 N ATOM 1979 CA SER A 130 88.140 -1.944 -4.952 1.00 0.00 C ATOM 1980 C SER A 130 89.094 -1.078 -4.135 1.00 0.00 C ATOM 1981 O SER A 130 89.804 -1.575 -3.262 1.00 0.00 O ATOM 1982 CB SER A 130 88.277 -1.600 -6.434 1.00 0.00 C ATOM 1983 OG SER A 130 87.887 -2.724 -7.213 1.00 0.00 O ATOM 0 H SER A 130 86.150 -1.338 -5.228 1.00 0.00 H new ATOM 0 HA SER A 130 88.397 -2.992 -4.798 1.00 0.00 H new ATOM 0 HB2 SER A 130 87.655 -0.739 -6.679 1.00 0.00 H new ATOM 0 HB3 SER A 130 89.307 -1.324 -6.662 1.00 0.00 H new ATOM 0 HG SER A 130 86.932 -2.659 -7.425 1.00 0.00 H new ATOM 1989 N ARG A 131 89.103 0.220 -4.422 1.00 0.00 N ATOM 1990 CA ARG A 131 89.974 1.143 -3.703 1.00 0.00 C ATOM 1991 C ARG A 131 90.135 0.701 -2.254 1.00 0.00 C ATOM 1992 O ARG A 131 91.225 0.320 -1.828 1.00 0.00 O ATOM 1993 CB ARG A 131 89.386 2.555 -3.743 1.00 0.00 C ATOM 1994 CG ARG A 131 90.521 3.581 -3.748 1.00 0.00 C ATOM 1995 CD ARG A 131 90.811 4.011 -5.186 1.00 0.00 C ATOM 1996 NE ARG A 131 89.656 4.705 -5.747 1.00 0.00 N ATOM 1997 CZ ARG A 131 89.296 4.533 -7.016 1.00 0.00 C ATOM 1998 NH1 ARG A 131 89.985 3.741 -7.793 1.00 0.00 N ATOM 1999 NH2 ARG A 131 88.252 5.159 -7.486 1.00 0.00 N ATOM 0 H ARG A 131 88.523 0.653 -5.140 1.00 0.00 H new ATOM 0 HA ARG A 131 90.952 1.143 -4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 131 88.767 2.677 -4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 131 88.740 2.716 -2.880 1.00 0.00 H new ATOM 0 HG2 ARG A 131 90.246 4.447 -3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 131 91.416 3.152 -3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 131 91.683 4.664 -5.209 1.00 0.00 H new ATOM 0 HD3 ARG A 131 91.050 3.138 -5.793 1.00 0.00 H new ATOM 0 HE ARG A 131 89.114 5.334 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 131 90.802 3.252 -7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 131 89.706 3.611 -8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 131 87.714 5.779 -6.881 1.00 0.00 H new ATOM 0 HH22 ARG A 131 87.974 5.029 -8.459 1.00 0.00 H new ATOM 2013 N VAL A 132 89.040 0.750 -1.502 1.00 0.00 N ATOM 2014 CA VAL A 132 89.070 0.347 -0.103 1.00 0.00 C ATOM 2015 C VAL A 132 89.951 -0.883 0.080 1.00 0.00 C ATOM 2016 O VAL A 132 90.952 -0.842 0.795 1.00 0.00 O ATOM 2017 CB VAL A 132 87.652 0.037 0.381 1.00 0.00 C ATOM 2018 CG1 VAL A 132 87.710 -0.561 1.787 1.00 0.00 C ATOM 2019 CG2 VAL A 132 86.830 1.327 0.410 1.00 0.00 C ATOM 0 H VAL A 132 88.128 1.062 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 132 89.483 1.167 0.484 1.00 0.00 H new ATOM 0 HB VAL A 132 87.186 -0.677 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 132 86.699 -0.781 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 132 88.295 -1.480 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 132 88.177 0.152 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 132 85.820 1.107 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 132 87.297 2.041 1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 132 86.787 1.753 -0.592 1.00 0.00 H new ATOM 2029 N LEU A 133 89.571 -1.978 -0.573 1.00 0.00 N ATOM 2030 CA LEU A 133 90.332 -3.217 -0.478 1.00 0.00 C ATOM 2031 C LEU A 133 91.826 -2.921 -0.383 1.00 0.00 C ATOM 2032 O LEU A 133 92.509 -3.412 0.516 1.00 0.00 O ATOM 2033 CB LEU A 133 90.061 -4.094 -1.704 1.00 0.00 C ATOM 2034 CG LEU A 133 89.687 -5.507 -1.251 1.00 0.00 C ATOM 2035 CD1 LEU A 133 89.190 -6.314 -2.453 1.00 0.00 C ATOM 2036 CD2 LEU A 133 90.917 -6.192 -0.650 1.00 0.00 C ATOM 0 H LEU A 133 88.746 -2.031 -1.170 1.00 0.00 H new ATOM 0 HA LEU A 133 90.018 -3.745 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 133 89.254 -3.666 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 133 90.944 -4.127 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 133 88.899 -5.451 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 133 88.924 -7.321 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 133 88.314 -5.827 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 133 89.978 -6.370 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 133 90.651 -7.199 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 133 91.705 -6.248 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 133 91.271 -5.618 0.206 1.00 0.00 H new ATOM 2048 N GLU A 134 92.323 -2.115 -1.314 1.00 0.00 N ATOM 2049 CA GLU A 134 93.737 -1.757 -1.325 1.00 0.00 C ATOM 2050 C GLU A 134 94.101 -0.971 -0.069 1.00 0.00 C ATOM 2051 O GLU A 134 94.890 -1.433 0.757 1.00 0.00 O ATOM 2052 CB GLU A 134 94.054 -0.916 -2.564 1.00 0.00 C ATOM 2053 CG GLU A 134 93.856 -1.761 -3.824 1.00 0.00 C ATOM 2054 CD GLU A 134 93.555 -0.859 -5.016 1.00 0.00 C ATOM 2055 OE1 GLU A 134 93.823 0.327 -4.916 1.00 0.00 O ATOM 2056 OE2 GLU A 134 93.063 -1.367 -6.009 1.00 0.00 O ATOM 0 H GLU A 134 91.773 -1.700 -2.066 1.00 0.00 H new ATOM 0 HA GLU A 134 94.324 -2.675 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 134 93.406 -0.040 -2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 134 95.080 -0.552 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 134 94.752 -2.350 -4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 134 93.037 -2.465 -3.675 1.00 0.00 H new ATOM 2063 N ALA A 135 93.522 0.217 0.069 1.00 0.00 N ATOM 2064 CA ALA A 135 93.791 1.061 1.227 1.00 0.00 C ATOM 2065 C ALA A 135 93.313 0.386 2.510 1.00 0.00 C ATOM 2066 O ALA A 135 93.290 1.002 3.575 1.00 0.00 O ATOM 2067 CB ALA A 135 93.085 2.410 1.066 1.00 0.00 C ATOM 0 H ALA A 135 92.867 0.616 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 135 94.868 1.218 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 135 93.291 3.035 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 135 93.450 2.907 0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 135 92.010 2.250 0.981 1.00 0.00 H new ATOM 2073 N SER A 136 92.934 -0.883 2.399 1.00 0.00 N ATOM 2074 CA SER A 136 92.462 -1.632 3.558 1.00 0.00 C ATOM 2075 C SER A 136 93.250 -2.927 3.718 1.00 0.00 C ATOM 2076 O SER A 136 93.152 -3.602 4.742 1.00 0.00 O ATOM 2077 CB SER A 136 90.976 -1.957 3.403 1.00 0.00 C ATOM 2078 OG SER A 136 90.604 -2.926 4.374 1.00 0.00 O ATOM 0 H SER A 136 92.944 -1.411 1.526 1.00 0.00 H new ATOM 0 HA SER A 136 92.609 -1.017 4.446 1.00 0.00 H new ATOM 0 HB2 SER A 136 90.379 -1.053 3.527 1.00 0.00 H new ATOM 0 HB3 SER A 136 90.777 -2.335 2.400 1.00 0.00 H new ATOM 0 HG SER A 136 91.396 -3.201 4.882 1.00 0.00 H new