USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=10 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 37 GLN : amide:sc= -5.29! C(o=-9.7!,f=-18!) USER MOD Set 1.2: A 38 GLN : amide:sc= -2.44 K(o=-9.7,f=-7) USER MOD Set 1.3: A 41 LYS NZ :NH3+ 168:sc= -2.01 (180deg=-0.691) USER MOD Single : A 17 GLN : amide:sc= -10.5! C(o=-10!,f=-18!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.619 K(o=-0.62,f=-2.2!) USER MOD Single : A 23 GLN : amide:sc= -4.91! C(o=-4.9!,f=-4.3!) USER MOD Single : A 28 THR OG1 : rot 140:sc= -0.278 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00462 USER MOD Single : A 34 GLN : amide:sc= -0.604 K(o=-0.6,f=-1.8!) USER MOD Single : A 43 SER OG : rot -79:sc= -0.765! USER MOD Single : A 44 ASN : amide:sc= -2.33! K(o=-2.3!,f=-0.31) USER MOD Single : A 46 ASN : amide:sc= -2.97! C(o=-3!,f=-1.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.074) 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= -0.0135 X(o=-0.014,f=-0.029) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 250 N GLN A 17 -34.263 -31.416 3.747 1.00 0.00 N ATOM 251 CA GLN A 17 -34.167 -30.687 5.010 1.00 0.00 C ATOM 252 C GLN A 17 -34.575 -29.234 4.811 1.00 0.00 C ATOM 253 O GLN A 17 -35.002 -28.565 5.753 1.00 0.00 O ATOM 254 CB GLN A 17 -32.738 -30.758 5.570 1.00 0.00 C ATOM 255 CG GLN A 17 -31.910 -29.551 5.106 1.00 0.00 C ATOM 256 CD GLN A 17 -31.867 -29.479 3.582 1.00 0.00 C ATOM 257 OE1 GLN A 17 -32.704 -30.071 2.904 1.00 0.00 O ATOM 258 NE2 GLN A 17 -30.927 -28.785 3.000 1.00 0.00 N ATOM 0 HA GLN A 17 -34.844 -31.152 5.726 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -32.770 -30.785 6.659 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -32.259 -31.681 5.242 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -32.341 -28.633 5.506 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -30.897 -29.626 5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -30.233 -28.294 3.563 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -30.887 -28.734 1.982 1.00 0.00 H new ATOM 267 N GLN A 18 -34.445 -28.751 3.582 1.00 0.00 N ATOM 268 CA GLN A 18 -34.808 -27.376 3.276 1.00 0.00 C ATOM 269 C GLN A 18 -36.236 -27.094 3.722 1.00 0.00 C ATOM 270 O GLN A 18 -36.524 -26.030 4.267 1.00 0.00 O ATOM 271 CB GLN A 18 -34.686 -27.118 1.774 1.00 0.00 C ATOM 272 CG GLN A 18 -33.254 -27.407 1.319 1.00 0.00 C ATOM 273 CD GLN A 18 -33.086 -27.024 -0.148 1.00 0.00 C ATOM 274 OE1 GLN A 18 -34.064 -26.706 -0.823 1.00 0.00 O ATOM 275 NE2 GLN A 18 -31.897 -27.037 -0.683 1.00 0.00 N ATOM 0 H GLN A 18 -34.094 -29.287 2.788 1.00 0.00 H new ATOM 0 HA GLN A 18 -34.127 -26.715 3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -35.386 -27.750 1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -34.948 -26.084 1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -32.549 -26.847 1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -33.026 -28.464 1.456 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -31.088 -27.301 -0.121 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -31.776 -26.783 -1.663 1.00 0.00 H new ATOM 284 N THR A 19 -37.126 -28.052 3.484 1.00 0.00 N ATOM 285 CA THR A 19 -38.524 -27.891 3.865 1.00 0.00 C ATOM 286 C THR A 19 -38.714 -28.200 5.340 1.00 0.00 C ATOM 287 O THR A 19 -39.393 -27.471 6.060 1.00 0.00 O ATOM 288 CB THR A 19 -39.415 -28.797 2.999 1.00 0.00 C ATOM 289 OG1 THR A 19 -40.507 -28.039 2.499 1.00 0.00 O ATOM 290 CG2 THR A 19 -39.952 -29.977 3.821 1.00 0.00 C ATOM 0 H THR A 19 -36.907 -28.940 3.033 1.00 0.00 H new ATOM 0 HA THR A 19 -38.816 -26.854 3.697 1.00 0.00 H new ATOM 0 HB THR A 19 -38.819 -29.188 2.174 1.00 0.00 H new ATOM 0 HG1 THR A 19 -41.077 -28.612 1.945 1.00 0.00 H new ATOM 0 HG21 THR A 19 -40.580 -30.605 3.189 1.00 0.00 H new ATOM 0 HG22 THR A 19 -39.117 -30.565 4.202 1.00 0.00 H new ATOM 0 HG23 THR A 19 -40.541 -29.600 4.657 1.00 0.00 H new ATOM 298 N PHE A 20 -38.104 -29.283 5.777 1.00 0.00 N ATOM 299 CA PHE A 20 -38.197 -29.692 7.170 1.00 0.00 C ATOM 300 C PHE A 20 -37.903 -28.505 8.078 1.00 0.00 C ATOM 301 O PHE A 20 -38.746 -28.085 8.867 1.00 0.00 O ATOM 302 CB PHE A 20 -37.202 -30.815 7.454 1.00 0.00 C ATOM 303 CG PHE A 20 -37.473 -31.382 8.823 1.00 0.00 C ATOM 304 CD1 PHE A 20 -37.159 -30.633 9.962 1.00 0.00 C ATOM 305 CD2 PHE A 20 -38.038 -32.654 8.954 1.00 0.00 C ATOM 306 CE1 PHE A 20 -37.408 -31.156 11.233 1.00 0.00 C ATOM 307 CE2 PHE A 20 -38.288 -33.178 10.227 1.00 0.00 C ATOM 308 CZ PHE A 20 -37.972 -32.428 11.364 1.00 0.00 C ATOM 0 H PHE A 20 -37.538 -29.897 5.191 1.00 0.00 H new ATOM 0 HA PHE A 20 -39.207 -30.053 7.365 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -37.292 -31.596 6.699 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -36.182 -30.435 7.400 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -36.724 -29.650 9.859 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -38.281 -33.231 8.074 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -37.165 -30.579 12.113 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -38.724 -34.160 10.331 1.00 0.00 H new ATOM 0 HZ PHE A 20 -38.164 -32.833 12.347 1.00 0.00 H new ATOM 318 N LEU A 21 -36.701 -27.961 7.950 1.00 0.00 N ATOM 319 CA LEU A 21 -36.305 -26.812 8.754 1.00 0.00 C ATOM 320 C LEU A 21 -37.271 -25.659 8.504 1.00 0.00 C ATOM 321 O LEU A 21 -37.679 -24.962 9.433 1.00 0.00 O ATOM 322 CB LEU A 21 -34.874 -26.385 8.407 1.00 0.00 C ATOM 323 CG LEU A 21 -33.904 -27.546 8.662 1.00 0.00 C ATOM 324 CD1 LEU A 21 -32.473 -27.097 8.355 1.00 0.00 C ATOM 325 CD2 LEU A 21 -33.990 -27.985 10.127 1.00 0.00 C ATOM 0 H LEU A 21 -35.987 -28.293 7.302 1.00 0.00 H new ATOM 0 HA LEU A 21 -36.336 -27.087 9.808 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -34.820 -26.078 7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -34.587 -25.522 9.008 1.00 0.00 H new ATOM 0 HG LEU A 21 -34.174 -28.382 8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -31.786 -27.923 8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -32.404 -26.790 7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -32.209 -26.257 8.998 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -33.299 -28.810 10.301 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -33.727 -27.148 10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -35.006 -28.310 10.350 1.00 0.00 H new ATOM 337 N ASN A 22 -37.657 -25.475 7.246 1.00 0.00 N ATOM 338 CA ASN A 22 -38.599 -24.417 6.910 1.00 0.00 C ATOM 339 C ASN A 22 -39.844 -24.571 7.771 1.00 0.00 C ATOM 340 O ASN A 22 -40.391 -23.592 8.281 1.00 0.00 O ATOM 341 CB ASN A 22 -38.978 -24.488 5.429 1.00 0.00 C ATOM 342 CG ASN A 22 -39.692 -23.207 5.015 1.00 0.00 C ATOM 343 OD1 ASN A 22 -40.509 -22.678 5.768 1.00 0.00 O ATOM 344 ND2 ASN A 22 -39.430 -22.673 3.854 1.00 0.00 N ATOM 0 H ASN A 22 -37.338 -26.035 6.455 1.00 0.00 H new ATOM 0 HA ASN A 22 -38.135 -23.449 7.099 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -38.084 -24.629 4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -39.623 -25.348 5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -39.903 -21.815 3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -38.752 -23.113 3.231 1.00 0.00 H new ATOM 351 N GLN A 23 -40.270 -25.819 7.952 1.00 0.00 N ATOM 352 CA GLN A 23 -41.431 -26.102 8.779 1.00 0.00 C ATOM 353 C GLN A 23 -41.167 -25.605 10.188 1.00 0.00 C ATOM 354 O GLN A 23 -41.955 -24.851 10.754 1.00 0.00 O ATOM 355 CB GLN A 23 -41.706 -27.611 8.825 1.00 0.00 C ATOM 356 CG GLN A 23 -41.899 -28.169 7.407 1.00 0.00 C ATOM 357 CD GLN A 23 -42.285 -27.059 6.432 1.00 0.00 C ATOM 358 OE1 GLN A 23 -41.457 -26.619 5.634 1.00 0.00 O ATOM 359 NE2 GLN A 23 -43.500 -26.582 6.445 1.00 0.00 N ATOM 0 H GLN A 23 -39.830 -26.641 7.539 1.00 0.00 H new ATOM 0 HA GLN A 23 -42.299 -25.598 8.353 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -40.876 -28.123 9.313 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -42.597 -27.806 9.423 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -40.979 -28.649 7.072 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -42.673 -28.936 7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -44.184 -26.948 7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -43.765 -25.843 5.793 1.00 0.00 H new ATOM 368 N LEU A 24 -40.039 -26.041 10.745 1.00 0.00 N ATOM 369 CA LEU A 24 -39.653 -25.651 12.088 1.00 0.00 C ATOM 370 C LEU A 24 -39.875 -24.162 12.286 1.00 0.00 C ATOM 371 O LEU A 24 -40.020 -23.689 13.407 1.00 0.00 O ATOM 372 CB LEU A 24 -38.188 -25.992 12.313 1.00 0.00 C ATOM 373 CG LEU A 24 -38.096 -27.401 12.893 1.00 0.00 C ATOM 374 CD1 LEU A 24 -36.651 -27.890 12.818 1.00 0.00 C ATOM 375 CD2 LEU A 24 -38.564 -27.377 14.351 1.00 0.00 C ATOM 0 H LEU A 24 -39.379 -26.665 10.281 1.00 0.00 H new ATOM 0 HA LEU A 24 -40.266 -26.193 12.808 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -37.638 -25.934 11.374 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -37.733 -25.273 12.994 1.00 0.00 H new ATOM 0 HG LEU A 24 -38.731 -28.078 12.321 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -36.585 -28.896 13.232 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -36.325 -27.904 11.778 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -36.010 -27.220 13.390 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -38.500 -28.381 14.770 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -37.929 -26.703 14.926 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -39.596 -27.030 14.396 1.00 0.00 H new ATOM 387 N ARG A 25 -39.909 -23.432 11.186 1.00 0.00 N ATOM 388 CA ARG A 25 -40.135 -21.998 11.247 1.00 0.00 C ATOM 389 C ARG A 25 -41.633 -21.698 11.244 1.00 0.00 C ATOM 390 O ARG A 25 -42.072 -20.657 11.730 1.00 0.00 O ATOM 391 CB ARG A 25 -39.472 -21.316 10.048 1.00 0.00 C ATOM 392 CG ARG A 25 -39.084 -19.883 10.417 1.00 0.00 C ATOM 393 CD ARG A 25 -38.751 -19.100 9.146 1.00 0.00 C ATOM 394 NE ARG A 25 -37.907 -19.901 8.265 1.00 0.00 N ATOM 395 CZ ARG A 25 -36.583 -19.782 8.283 1.00 0.00 C ATOM 396 NH1 ARG A 25 -36.016 -18.934 9.097 1.00 0.00 N ATOM 397 NH2 ARG A 25 -35.850 -20.510 7.487 1.00 0.00 N ATOM 0 H ARG A 25 -39.784 -23.805 10.245 1.00 0.00 H new ATOM 0 HA ARG A 25 -39.698 -21.614 12.169 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -38.587 -21.875 9.743 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -40.154 -21.310 9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -39.902 -19.400 10.951 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -38.225 -19.889 11.088 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -39.670 -18.825 8.629 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -38.241 -18.172 9.405 1.00 0.00 H new ATOM 0 HE ARG A 25 -38.341 -20.565 7.623 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -36.589 -18.363 9.719 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -35.000 -18.842 9.111 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -36.292 -21.172 6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -34.834 -20.417 7.502 1.00 0.00 H new ATOM 411 N GLU A 26 -42.401 -22.605 10.647 1.00 0.00 N ATOM 412 CA GLU A 26 -43.853 -22.429 10.528 1.00 0.00 C ATOM 413 C GLU A 26 -44.660 -22.975 11.720 1.00 0.00 C ATOM 414 O GLU A 26 -45.467 -22.249 12.300 1.00 0.00 O ATOM 415 CB GLU A 26 -44.347 -23.095 9.241 1.00 0.00 C ATOM 416 CG GLU A 26 -43.855 -22.301 8.028 1.00 0.00 C ATOM 417 CD GLU A 26 -44.853 -22.426 6.884 1.00 0.00 C ATOM 418 OE1 GLU A 26 -45.797 -23.187 7.028 1.00 0.00 O ATOM 419 OE2 GLU A 26 -44.662 -21.760 5.880 1.00 0.00 O ATOM 0 H GLU A 26 -42.047 -23.469 10.237 1.00 0.00 H new ATOM 0 HA GLU A 26 -44.022 -21.352 10.511 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -43.983 -24.121 9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -45.436 -23.143 9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -43.727 -21.252 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -42.879 -22.671 7.712 1.00 0.00 H new ATOM 426 N ILE A 27 -44.491 -24.259 12.052 1.00 0.00 N ATOM 427 CA ILE A 27 -45.281 -24.861 13.139 1.00 0.00 C ATOM 428 C ILE A 27 -45.169 -24.055 14.427 1.00 0.00 C ATOM 429 O ILE A 27 -46.171 -23.582 14.961 1.00 0.00 O ATOM 430 CB ILE A 27 -44.833 -26.305 13.440 1.00 0.00 C ATOM 431 CG1 ILE A 27 -44.029 -26.883 12.282 1.00 0.00 C ATOM 432 CG2 ILE A 27 -46.042 -27.203 13.689 1.00 0.00 C ATOM 433 CD1 ILE A 27 -42.553 -26.726 12.608 1.00 0.00 C ATOM 0 H ILE A 27 -43.832 -24.891 11.598 1.00 0.00 H new ATOM 0 HA ILE A 27 -46.314 -24.862 12.792 1.00 0.00 H new ATOM 0 HB ILE A 27 -44.208 -26.270 14.332 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -44.276 -27.934 12.134 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -44.271 -26.365 11.354 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -45.704 -28.218 13.900 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -46.607 -26.825 14.541 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -46.679 -27.209 12.805 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -41.955 -27.133 11.793 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -42.319 -25.669 12.737 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -42.325 -27.263 13.529 1.00 0.00 H new ATOM 445 N THR A 28 -43.952 -23.920 14.933 1.00 0.00 N ATOM 446 CA THR A 28 -43.737 -23.189 16.173 1.00 0.00 C ATOM 447 C THR A 28 -43.610 -21.694 15.902 1.00 0.00 C ATOM 448 O THR A 28 -43.523 -20.890 16.829 1.00 0.00 O ATOM 449 CB THR A 28 -42.484 -23.720 16.868 1.00 0.00 C ATOM 450 OG1 THR A 28 -41.763 -22.637 17.438 1.00 0.00 O ATOM 451 CG2 THR A 28 -41.608 -24.448 15.849 1.00 0.00 C ATOM 0 H THR A 28 -43.107 -24.302 14.510 1.00 0.00 H new ATOM 0 HA THR A 28 -44.596 -23.338 16.827 1.00 0.00 H new ATOM 0 HB THR A 28 -42.770 -24.415 17.658 1.00 0.00 H new ATOM 0 HG1 THR A 28 -41.416 -22.901 18.316 1.00 0.00 H new ATOM 0 HG21 THR A 28 -40.714 -24.827 16.343 1.00 0.00 H new ATOM 0 HG22 THR A 28 -42.165 -25.280 15.419 1.00 0.00 H new ATOM 0 HG23 THR A 28 -41.319 -23.756 15.057 1.00 0.00 H new ATOM 459 N GLY A 29 -43.619 -21.331 14.624 1.00 0.00 N ATOM 460 CA GLY A 29 -43.526 -19.929 14.235 1.00 0.00 C ATOM 461 C GLY A 29 -42.255 -19.276 14.767 1.00 0.00 C ATOM 462 O GLY A 29 -42.247 -18.084 15.075 1.00 0.00 O ATOM 0 H GLY A 29 -43.689 -21.984 13.844 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -43.547 -19.851 13.148 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -44.396 -19.390 14.610 1.00 0.00 H new ATOM 466 N ILE A 30 -41.179 -20.051 14.873 1.00 0.00 N ATOM 467 CA ILE A 30 -39.919 -19.504 15.372 1.00 0.00 C ATOM 468 C ILE A 30 -38.982 -19.161 14.216 1.00 0.00 C ATOM 469 O ILE A 30 -38.963 -19.846 13.196 1.00 0.00 O ATOM 470 CB ILE A 30 -39.243 -20.504 16.315 1.00 0.00 C ATOM 471 CG1 ILE A 30 -39.753 -20.267 17.740 1.00 0.00 C ATOM 472 CG2 ILE A 30 -37.724 -20.306 16.276 1.00 0.00 C ATOM 473 CD1 ILE A 30 -39.055 -21.224 18.709 1.00 0.00 C ATOM 0 H ILE A 30 -41.151 -21.040 14.626 1.00 0.00 H new ATOM 0 HA ILE A 30 -40.139 -18.589 15.922 1.00 0.00 H new ATOM 0 HB ILE A 30 -39.479 -21.521 16.001 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -39.565 -19.235 18.036 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -40.832 -20.418 17.779 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -37.247 -21.019 16.948 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -37.362 -20.466 15.260 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -37.481 -19.291 16.592 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -39.422 -21.050 19.720 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -39.265 -22.253 18.419 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -37.979 -21.051 18.679 1.00 0.00 H new ATOM 485 N ASN A 31 -38.205 -18.096 14.387 1.00 0.00 N ATOM 486 CA ASN A 31 -37.267 -17.671 13.353 1.00 0.00 C ATOM 487 C ASN A 31 -35.867 -18.200 13.651 1.00 0.00 C ATOM 488 O ASN A 31 -35.180 -18.698 12.759 1.00 0.00 O ATOM 489 CB ASN A 31 -37.235 -16.144 13.272 1.00 0.00 C ATOM 490 CG ASN A 31 -38.651 -15.586 13.372 1.00 0.00 C ATOM 491 OD1 ASN A 31 -39.523 -15.963 12.590 1.00 0.00 O ATOM 492 ND2 ASN A 31 -38.932 -14.706 14.292 1.00 0.00 N ATOM 0 H ASN A 31 -38.205 -17.515 15.225 1.00 0.00 H new ATOM 0 HA ASN A 31 -37.599 -18.076 12.397 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -36.619 -15.742 14.077 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -36.777 -15.831 12.334 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -39.877 -14.328 14.365 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -38.207 -14.395 14.939 1.00 0.00 H new ATOM 499 N ASP A 32 -35.451 -18.087 14.910 1.00 0.00 N ATOM 500 CA ASP A 32 -34.130 -18.559 15.316 1.00 0.00 C ATOM 501 C ASP A 32 -33.818 -19.902 14.665 1.00 0.00 C ATOM 502 O ASP A 32 -34.097 -20.958 15.231 1.00 0.00 O ATOM 503 CB ASP A 32 -34.073 -18.700 16.838 1.00 0.00 C ATOM 504 CG ASP A 32 -33.318 -17.523 17.444 1.00 0.00 C ATOM 505 OD1 ASP A 32 -32.341 -17.099 16.847 1.00 0.00 O ATOM 506 OD2 ASP A 32 -33.726 -17.061 18.498 1.00 0.00 O ATOM 0 H ASP A 32 -36.005 -17.676 15.662 1.00 0.00 H new ATOM 0 HA ASP A 32 -33.387 -17.831 14.991 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -35.083 -18.743 17.245 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -33.581 -19.635 17.106 1.00 0.00 H new ATOM 511 N THR A 33 -33.239 -19.852 13.469 1.00 0.00 N ATOM 512 CA THR A 33 -32.896 -21.069 12.741 1.00 0.00 C ATOM 513 C THR A 33 -31.901 -21.916 13.528 1.00 0.00 C ATOM 514 O THR A 33 -31.817 -23.129 13.332 1.00 0.00 O ATOM 515 CB THR A 33 -32.293 -20.710 11.381 1.00 0.00 C ATOM 516 OG1 THR A 33 -31.295 -19.712 11.555 1.00 0.00 O ATOM 517 CG2 THR A 33 -33.392 -20.180 10.459 1.00 0.00 C ATOM 0 H THR A 33 -32.999 -18.987 12.986 1.00 0.00 H new ATOM 0 HA THR A 33 -33.809 -21.647 12.599 1.00 0.00 H new ATOM 0 HB THR A 33 -31.845 -21.598 10.936 1.00 0.00 H new ATOM 0 HG1 THR A 33 -30.907 -19.482 10.685 1.00 0.00 H new ATOM 0 HG21 THR A 33 -32.962 -19.924 9.490 1.00 0.00 H new ATOM 0 HG22 THR A 33 -34.156 -20.946 10.326 1.00 0.00 H new ATOM 0 HG23 THR A 33 -33.842 -19.292 10.902 1.00 0.00 H new ATOM 525 N GLN A 34 -31.150 -21.276 14.418 1.00 0.00 N ATOM 526 CA GLN A 34 -30.169 -21.991 15.223 1.00 0.00 C ATOM 527 C GLN A 34 -30.853 -23.070 16.051 1.00 0.00 C ATOM 528 O GLN A 34 -30.381 -24.205 16.130 1.00 0.00 O ATOM 529 CB GLN A 34 -29.444 -21.014 16.149 1.00 0.00 C ATOM 530 CG GLN A 34 -28.442 -20.193 15.337 1.00 0.00 C ATOM 531 CD GLN A 34 -27.247 -21.059 14.953 1.00 0.00 C ATOM 532 OE1 GLN A 34 -27.313 -21.819 13.987 1.00 0.00 O ATOM 533 NE2 GLN A 34 -26.151 -20.990 15.658 1.00 0.00 N ATOM 0 H GLN A 34 -31.201 -20.273 14.599 1.00 0.00 H new ATOM 0 HA GLN A 34 -29.445 -22.461 14.557 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -30.163 -20.354 16.634 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -28.928 -21.559 16.939 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -28.922 -19.803 14.440 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -28.107 -19.334 15.919 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -26.098 -20.360 16.458 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -25.347 -21.566 15.409 1.00 0.00 H new ATOM 542 N ILE A 35 -31.974 -22.706 16.661 1.00 0.00 N ATOM 543 CA ILE A 35 -32.727 -23.645 17.479 1.00 0.00 C ATOM 544 C ILE A 35 -33.459 -24.652 16.599 1.00 0.00 C ATOM 545 O ILE A 35 -33.663 -25.802 16.991 1.00 0.00 O ATOM 546 CB ILE A 35 -33.734 -22.887 18.342 1.00 0.00 C ATOM 547 CG1 ILE A 35 -33.024 -21.727 19.046 1.00 0.00 C ATOM 548 CG2 ILE A 35 -34.326 -23.832 19.389 1.00 0.00 C ATOM 549 CD1 ILE A 35 -34.061 -20.740 19.586 1.00 0.00 C ATOM 0 H ILE A 35 -32.379 -21.772 16.605 1.00 0.00 H new ATOM 0 HA ILE A 35 -32.031 -24.183 18.122 1.00 0.00 H new ATOM 0 HB ILE A 35 -34.534 -22.499 17.712 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -32.409 -22.106 19.862 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -32.354 -21.222 18.350 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -35.044 -23.290 20.004 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -34.829 -24.660 18.889 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -33.528 -24.221 20.021 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -33.553 -19.916 20.086 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -34.657 -20.351 18.761 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -34.713 -21.249 20.296 1.00 0.00 H new ATOM 561 N LEU A 36 -33.851 -24.214 15.407 1.00 0.00 N ATOM 562 CA LEU A 36 -34.560 -25.087 14.478 1.00 0.00 C ATOM 563 C LEU A 36 -33.626 -26.155 13.918 1.00 0.00 C ATOM 564 O LEU A 36 -33.823 -27.348 14.150 1.00 0.00 O ATOM 565 CB LEU A 36 -35.132 -24.264 13.317 1.00 0.00 C ATOM 566 CG LEU A 36 -36.041 -23.138 13.848 1.00 0.00 C ATOM 567 CD1 LEU A 36 -37.080 -22.743 12.786 1.00 0.00 C ATOM 568 CD2 LEU A 36 -36.769 -23.593 15.119 1.00 0.00 C ATOM 0 H LEU A 36 -33.691 -23.267 15.063 1.00 0.00 H new ATOM 0 HA LEU A 36 -35.370 -25.573 15.022 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -34.318 -23.836 12.731 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -35.699 -24.912 12.649 1.00 0.00 H new ATOM 0 HG LEU A 36 -35.414 -22.277 14.079 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -37.714 -21.947 13.176 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -36.569 -22.393 11.889 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -37.695 -23.609 12.539 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -37.407 -22.787 15.481 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -37.381 -24.467 14.895 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -36.037 -23.849 15.885 1.00 0.00 H new ATOM 580 N GLN A 37 -32.609 -25.720 13.183 1.00 0.00 N ATOM 581 CA GLN A 37 -31.652 -26.650 12.595 1.00 0.00 C ATOM 582 C GLN A 37 -31.190 -27.664 13.635 1.00 0.00 C ATOM 583 O GLN A 37 -30.950 -28.831 13.323 1.00 0.00 O ATOM 584 CB GLN A 37 -30.445 -25.880 12.058 1.00 0.00 C ATOM 585 CG GLN A 37 -29.751 -25.154 13.210 1.00 0.00 C ATOM 586 CD GLN A 37 -28.573 -25.982 13.711 1.00 0.00 C ATOM 587 OE1 GLN A 37 -28.704 -26.729 14.680 1.00 0.00 O ATOM 588 NE2 GLN A 37 -27.421 -25.894 13.104 1.00 0.00 N ATOM 0 H GLN A 37 -32.426 -24.737 12.981 1.00 0.00 H new ATOM 0 HA GLN A 37 -32.138 -27.181 11.776 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -29.749 -26.565 11.574 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -30.765 -25.163 11.302 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -29.404 -24.176 12.878 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -30.458 -24.983 14.022 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -27.314 -25.274 12.301 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -26.628 -26.445 13.433 1.00 0.00 H new ATOM 597 N GLN A 38 -31.067 -27.203 14.873 1.00 0.00 N ATOM 598 CA GLN A 38 -30.630 -28.068 15.963 1.00 0.00 C ATOM 599 C GLN A 38 -31.734 -29.040 16.364 1.00 0.00 C ATOM 600 O GLN A 38 -31.461 -30.177 16.749 1.00 0.00 O ATOM 601 CB GLN A 38 -30.234 -27.222 17.175 1.00 0.00 C ATOM 602 CG GLN A 38 -29.477 -28.093 18.180 1.00 0.00 C ATOM 603 CD GLN A 38 -27.996 -28.146 17.814 1.00 0.00 C ATOM 604 OE1 GLN A 38 -27.179 -27.461 18.430 1.00 0.00 O ATOM 605 NE2 GLN A 38 -27.600 -28.924 16.844 1.00 0.00 N ATOM 0 H GLN A 38 -31.262 -26.240 15.147 1.00 0.00 H new ATOM 0 HA GLN A 38 -29.769 -28.640 15.617 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -29.610 -26.386 16.860 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -31.123 -26.798 17.642 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -29.597 -27.690 19.186 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -29.894 -29.100 18.188 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -28.279 -29.491 16.335 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -26.612 -28.966 16.595 1.00 0.00 H new ATOM 614 N ALA A 39 -32.981 -28.590 16.275 1.00 0.00 N ATOM 615 CA ALA A 39 -34.111 -29.436 16.637 1.00 0.00 C ATOM 616 C ALA A 39 -34.183 -30.658 15.726 1.00 0.00 C ATOM 617 O ALA A 39 -34.392 -31.778 16.193 1.00 0.00 O ATOM 618 CB ALA A 39 -35.416 -28.644 16.542 1.00 0.00 C ATOM 0 H ALA A 39 -33.233 -27.654 15.959 1.00 0.00 H new ATOM 0 HA ALA A 39 -33.970 -29.773 17.664 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -36.253 -29.287 16.815 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -35.376 -27.793 17.222 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -35.551 -28.286 15.521 1.00 0.00 H new ATOM 624 N LEU A 40 -34.010 -30.438 14.426 1.00 0.00 N ATOM 625 CA LEU A 40 -34.060 -31.537 13.470 1.00 0.00 C ATOM 626 C LEU A 40 -32.940 -32.534 13.741 1.00 0.00 C ATOM 627 O LEU A 40 -33.154 -33.746 13.726 1.00 0.00 O ATOM 628 CB LEU A 40 -33.923 -31.013 12.044 1.00 0.00 C ATOM 629 CG LEU A 40 -33.725 -32.198 11.099 1.00 0.00 C ATOM 630 CD1 LEU A 40 -34.529 -31.980 9.817 1.00 0.00 C ATOM 631 CD2 LEU A 40 -32.239 -32.331 10.752 1.00 0.00 C ATOM 0 H LEU A 40 -33.836 -29.521 14.015 1.00 0.00 H new ATOM 0 HA LEU A 40 -35.023 -32.034 13.583 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -34.813 -30.450 11.762 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -33.077 -30.329 11.973 1.00 0.00 H new ATOM 0 HG LEU A 40 -34.070 -33.109 11.589 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -34.384 -32.828 9.148 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -35.587 -31.889 10.062 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -34.190 -31.068 9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -32.097 -33.176 10.078 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -31.896 -31.418 10.266 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -31.665 -32.494 11.664 1.00 0.00 H new ATOM 643 N LYS A 41 -31.744 -32.012 13.983 1.00 0.00 N ATOM 644 CA LYS A 41 -30.591 -32.859 14.249 1.00 0.00 C ATOM 645 C LYS A 41 -30.860 -33.782 15.433 1.00 0.00 C ATOM 646 O LYS A 41 -30.368 -34.910 15.476 1.00 0.00 O ATOM 647 CB LYS A 41 -29.369 -31.980 14.541 1.00 0.00 C ATOM 648 CG LYS A 41 -28.081 -32.721 14.168 1.00 0.00 C ATOM 649 CD LYS A 41 -27.646 -33.609 15.333 1.00 0.00 C ATOM 650 CE LYS A 41 -26.507 -32.928 16.094 1.00 0.00 C ATOM 651 NZ LYS A 41 -26.910 -31.539 16.456 1.00 0.00 N ATOM 0 H LYS A 41 -31.549 -31.011 14.000 1.00 0.00 H new ATOM 0 HA LYS A 41 -30.399 -33.475 13.371 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -29.438 -31.050 13.977 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -29.349 -31.711 15.597 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -28.243 -33.327 13.276 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -27.294 -32.006 13.929 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -28.488 -33.789 16.001 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -27.320 -34.581 14.962 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -26.267 -33.494 16.994 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -25.606 -32.908 15.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -26.231 -31.148 17.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -26.921 -30.947 15.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -27.860 -31.552 16.880 1.00 0.00 H new ATOM 665 N ASP A 42 -31.631 -33.294 16.399 1.00 0.00 N ATOM 666 CA ASP A 42 -31.942 -34.085 17.584 1.00 0.00 C ATOM 667 C ASP A 42 -33.172 -34.971 17.372 1.00 0.00 C ATOM 668 O ASP A 42 -33.338 -35.979 18.058 1.00 0.00 O ATOM 669 CB ASP A 42 -32.178 -33.158 18.777 1.00 0.00 C ATOM 670 CG ASP A 42 -30.840 -32.668 19.320 1.00 0.00 C ATOM 671 OD1 ASP A 42 -29.965 -32.385 18.519 1.00 0.00 O ATOM 672 OD2 ASP A 42 -30.710 -32.582 20.530 1.00 0.00 O ATOM 0 H ASP A 42 -32.049 -32.363 16.386 1.00 0.00 H new ATOM 0 HA ASP A 42 -31.090 -34.737 17.779 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -32.791 -32.309 18.475 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -32.727 -33.686 19.557 1.00 0.00 H new ATOM 677 N SER A 43 -34.036 -34.592 16.432 1.00 0.00 N ATOM 678 CA SER A 43 -35.244 -35.373 16.173 1.00 0.00 C ATOM 679 C SER A 43 -34.982 -36.458 15.131 1.00 0.00 C ATOM 680 O SER A 43 -35.825 -37.322 14.896 1.00 0.00 O ATOM 681 CB SER A 43 -36.369 -34.455 15.704 1.00 0.00 C ATOM 682 OG SER A 43 -35.809 -33.309 15.086 1.00 0.00 O ATOM 0 H SER A 43 -33.926 -33.764 15.846 1.00 0.00 H new ATOM 0 HA SER A 43 -35.542 -35.859 17.102 1.00 0.00 H new ATOM 0 HB2 SER A 43 -37.016 -34.982 15.002 1.00 0.00 H new ATOM 0 HB3 SER A 43 -36.990 -34.160 16.550 1.00 0.00 H new ATOM 0 HG SER A 43 -35.506 -32.681 15.775 1.00 0.00 H new ATOM 688 N ASN A 44 -33.800 -36.413 14.529 1.00 0.00 N ATOM 689 CA ASN A 44 -33.410 -37.405 13.529 1.00 0.00 C ATOM 690 C ASN A 44 -34.261 -37.317 12.261 1.00 0.00 C ATOM 691 O ASN A 44 -34.332 -38.277 11.495 1.00 0.00 O ATOM 692 CB ASN A 44 -33.522 -38.813 14.119 1.00 0.00 C ATOM 693 CG ASN A 44 -32.676 -38.916 15.383 1.00 0.00 C ATOM 694 OD1 ASN A 44 -32.705 -39.937 16.070 1.00 0.00 O ATOM 695 ND2 ASN A 44 -31.916 -37.914 15.732 1.00 0.00 N ATOM 0 H ASN A 44 -33.093 -35.701 14.714 1.00 0.00 H new ATOM 0 HA ASN A 44 -32.377 -37.194 13.252 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -34.563 -39.038 14.349 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -33.190 -39.550 13.388 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -31.345 -37.976 16.575 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -31.893 -37.069 15.162 1.00 0.00 H new ATOM 702 N GLY A 45 -34.880 -36.165 12.023 1.00 0.00 N ATOM 703 CA GLY A 45 -35.687 -35.991 10.817 1.00 0.00 C ATOM 704 C GLY A 45 -37.189 -36.092 11.091 1.00 0.00 C ATOM 705 O GLY A 45 -37.983 -36.218 10.158 1.00 0.00 O ATOM 0 H GLY A 45 -34.841 -35.351 12.636 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -35.467 -35.019 10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -35.404 -36.746 10.084 1.00 0.00 H new ATOM 709 N ASN A 46 -37.582 -36.019 12.359 1.00 0.00 N ATOM 710 CA ASN A 46 -39.001 -36.083 12.705 1.00 0.00 C ATOM 711 C ASN A 46 -39.481 -34.699 13.151 1.00 0.00 C ATOM 712 O ASN A 46 -38.865 -34.066 14.009 1.00 0.00 O ATOM 713 CB ASN A 46 -39.235 -37.123 13.802 1.00 0.00 C ATOM 714 CG ASN A 46 -38.490 -38.410 13.465 1.00 0.00 C ATOM 715 OD1 ASN A 46 -37.267 -38.473 13.593 1.00 0.00 O ATOM 716 ND2 ASN A 46 -39.159 -39.446 13.038 1.00 0.00 N ATOM 0 H ASN A 46 -36.951 -35.917 13.154 1.00 0.00 H new ATOM 0 HA ASN A 46 -39.573 -36.387 11.829 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -38.893 -36.735 14.762 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -40.301 -37.325 13.902 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -38.669 -40.311 12.809 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -40.172 -39.391 12.933 1.00 0.00 H new ATOM 723 N LEU A 47 -40.561 -34.221 12.533 1.00 0.00 N ATOM 724 CA LEU A 47 -41.091 -32.888 12.834 1.00 0.00 C ATOM 725 C LEU A 47 -41.693 -32.808 14.234 1.00 0.00 C ATOM 726 O LEU A 47 -41.218 -32.048 15.075 1.00 0.00 O ATOM 727 CB LEU A 47 -42.166 -32.521 11.804 1.00 0.00 C ATOM 728 CG LEU A 47 -42.083 -31.029 11.460 1.00 0.00 C ATOM 729 CD1 LEU A 47 -42.077 -30.199 12.746 1.00 0.00 C ATOM 730 CD2 LEU A 47 -40.804 -30.748 10.667 1.00 0.00 C ATOM 0 H LEU A 47 -41.085 -34.733 11.824 1.00 0.00 H new ATOM 0 HA LEU A 47 -40.258 -32.187 12.788 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -42.034 -33.118 10.901 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -43.154 -32.756 12.200 1.00 0.00 H new ATOM 0 HG LEU A 47 -42.949 -30.756 10.857 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -42.018 -29.140 12.495 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -42.993 -30.389 13.306 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -41.216 -30.476 13.354 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -40.751 -29.686 10.426 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -39.936 -31.028 11.265 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -40.812 -31.329 9.745 1.00 0.00 H new ATOM 742 N GLU A 48 -42.742 -33.582 14.479 1.00 0.00 N ATOM 743 CA GLU A 48 -43.394 -33.564 15.784 1.00 0.00 C ATOM 744 C GLU A 48 -42.362 -33.587 16.901 1.00 0.00 C ATOM 745 O GLU A 48 -42.638 -33.176 18.028 1.00 0.00 O ATOM 746 CB GLU A 48 -44.337 -34.757 15.910 1.00 0.00 C ATOM 747 CG GLU A 48 -45.580 -34.484 15.064 1.00 0.00 C ATOM 748 CD GLU A 48 -46.262 -35.797 14.692 1.00 0.00 C ATOM 749 OE1 GLU A 48 -46.000 -36.787 15.354 1.00 0.00 O ATOM 750 OE2 GLU A 48 -47.036 -35.791 13.749 1.00 0.00 O ATOM 0 H GLU A 48 -43.156 -34.223 13.802 1.00 0.00 H new ATOM 0 HA GLU A 48 -43.971 -32.644 15.872 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -43.842 -35.668 15.573 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -44.615 -34.912 16.953 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -46.273 -33.850 15.617 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -45.302 -33.941 14.161 1.00 0.00 H new ATOM 757 N LEU A 49 -41.169 -34.057 16.573 1.00 0.00 N ATOM 758 CA LEU A 49 -40.087 -34.120 17.544 1.00 0.00 C ATOM 759 C LEU A 49 -39.292 -32.834 17.505 1.00 0.00 C ATOM 760 O LEU A 49 -38.892 -32.312 18.541 1.00 0.00 O ATOM 761 CB LEU A 49 -39.179 -35.303 17.238 1.00 0.00 C ATOM 762 CG LEU A 49 -39.985 -36.586 17.378 1.00 0.00 C ATOM 763 CD1 LEU A 49 -40.574 -36.652 18.786 1.00 0.00 C ATOM 764 CD2 LEU A 49 -41.119 -36.576 16.350 1.00 0.00 C ATOM 0 H LEU A 49 -40.925 -34.400 15.644 1.00 0.00 H new ATOM 0 HA LEU A 49 -40.509 -34.250 18.541 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -38.776 -35.219 16.229 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -38.330 -35.314 17.921 1.00 0.00 H new ATOM 0 HG LEU A 49 -39.345 -37.452 17.208 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -41.154 -37.569 18.895 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -39.767 -36.643 19.519 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -41.222 -35.791 18.950 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -41.702 -37.492 16.443 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -41.764 -35.715 16.528 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -40.699 -36.513 15.346 1.00 0.00 H new ATOM 776 N ALA A 50 -39.085 -32.315 16.302 1.00 0.00 N ATOM 777 CA ALA A 50 -38.360 -31.068 16.152 1.00 0.00 C ATOM 778 C ALA A 50 -39.164 -29.961 16.811 1.00 0.00 C ATOM 779 O ALA A 50 -38.652 -29.223 17.645 1.00 0.00 O ATOM 780 CB ALA A 50 -38.144 -30.753 14.673 1.00 0.00 C ATOM 0 H ALA A 50 -39.405 -32.734 15.429 1.00 0.00 H new ATOM 0 HA ALA A 50 -37.382 -31.151 16.626 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -37.599 -29.814 14.577 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -37.570 -31.555 14.210 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -39.110 -30.664 14.175 1.00 0.00 H new ATOM 786 N VAL A 51 -40.442 -29.881 16.451 1.00 0.00 N ATOM 787 CA VAL A 51 -41.329 -28.886 17.035 1.00 0.00 C ATOM 788 C VAL A 51 -41.392 -29.088 18.537 1.00 0.00 C ATOM 789 O VAL A 51 -41.224 -28.150 19.316 1.00 0.00 O ATOM 790 CB VAL A 51 -42.730 -29.038 16.447 1.00 0.00 C ATOM 791 CG1 VAL A 51 -43.364 -30.341 16.939 1.00 0.00 C ATOM 792 CG2 VAL A 51 -43.596 -27.856 16.881 1.00 0.00 C ATOM 0 H VAL A 51 -40.882 -30.490 15.762 1.00 0.00 H new ATOM 0 HA VAL A 51 -40.949 -27.889 16.813 1.00 0.00 H new ATOM 0 HB VAL A 51 -42.660 -29.062 15.359 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -44.363 -30.442 16.515 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -42.750 -31.185 16.626 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -43.431 -30.325 18.027 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -44.596 -27.964 16.461 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -43.660 -27.832 17.969 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -43.151 -26.928 16.523 1.00 0.00 H new ATOM 802 N ALA A 52 -41.628 -30.330 18.926 1.00 0.00 N ATOM 803 CA ALA A 52 -41.707 -30.681 20.328 1.00 0.00 C ATOM 804 C ALA A 52 -40.376 -30.385 21.002 1.00 0.00 C ATOM 805 O ALA A 52 -40.327 -29.997 22.163 1.00 0.00 O ATOM 806 CB ALA A 52 -42.046 -32.161 20.454 1.00 0.00 C ATOM 0 H ALA A 52 -41.768 -31.112 18.286 1.00 0.00 H new ATOM 0 HA ALA A 52 -42.485 -30.093 20.815 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -42.107 -32.432 21.508 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -43.004 -32.357 19.973 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -41.270 -32.754 19.971 1.00 0.00 H new ATOM 812 N PHE A 53 -39.295 -30.564 20.259 1.00 0.00 N ATOM 813 CA PHE A 53 -37.969 -30.296 20.799 1.00 0.00 C ATOM 814 C PHE A 53 -37.864 -28.841 21.246 1.00 0.00 C ATOM 815 O PHE A 53 -37.099 -28.516 22.155 1.00 0.00 O ATOM 816 CB PHE A 53 -36.900 -30.586 19.748 1.00 0.00 C ATOM 817 CG PHE A 53 -36.129 -31.823 20.142 1.00 0.00 C ATOM 818 CD1 PHE A 53 -35.350 -31.818 21.305 1.00 0.00 C ATOM 819 CD2 PHE A 53 -36.196 -32.974 19.350 1.00 0.00 C ATOM 820 CE1 PHE A 53 -34.639 -32.965 21.677 1.00 0.00 C ATOM 821 CE2 PHE A 53 -35.485 -34.121 19.720 1.00 0.00 C ATOM 822 CZ PHE A 53 -34.707 -34.117 20.883 1.00 0.00 C ATOM 0 H PHE A 53 -39.307 -30.889 19.292 1.00 0.00 H new ATOM 0 HA PHE A 53 -37.810 -30.947 21.659 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -37.364 -30.729 18.772 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -36.223 -29.736 19.658 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -35.297 -30.929 21.916 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -36.797 -32.977 18.453 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -34.039 -32.962 22.575 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -35.537 -35.009 19.108 1.00 0.00 H new ATOM 0 HZ PHE A 53 -34.159 -35.003 21.169 1.00 0.00 H new ATOM 832 N LEU A 54 -38.634 -27.967 20.602 1.00 0.00 N ATOM 833 CA LEU A 54 -38.615 -26.550 20.947 1.00 0.00 C ATOM 834 C LEU A 54 -39.477 -26.290 22.179 1.00 0.00 C ATOM 835 O LEU A 54 -39.006 -25.733 23.170 1.00 0.00 O ATOM 836 CB LEU A 54 -39.123 -25.715 19.769 1.00 0.00 C ATOM 837 CG LEU A 54 -37.987 -25.534 18.747 1.00 0.00 C ATOM 838 CD1 LEU A 54 -37.798 -26.820 17.944 1.00 0.00 C ATOM 839 CD2 LEU A 54 -38.318 -24.391 17.782 1.00 0.00 C ATOM 0 H LEU A 54 -39.273 -28.213 19.846 1.00 0.00 H new ATOM 0 HA LEU A 54 -37.588 -26.261 21.171 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -39.975 -26.207 19.300 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -39.470 -24.743 20.120 1.00 0.00 H new ATOM 0 HG LEU A 54 -37.071 -25.299 19.289 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -36.992 -26.684 17.223 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -37.546 -27.637 18.620 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -38.721 -27.058 17.416 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -37.506 -24.274 17.064 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -39.242 -24.620 17.250 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -38.442 -23.465 18.344 1.00 0.00 H new ATOM 851 N THR A 55 -40.739 -26.703 22.112 1.00 0.00 N ATOM 852 CA THR A 55 -41.652 -26.516 23.236 1.00 0.00 C ATOM 853 C THR A 55 -41.551 -27.695 24.195 1.00 0.00 C ATOM 854 O THR A 55 -41.482 -27.519 25.411 1.00 0.00 O ATOM 855 CB THR A 55 -43.091 -26.388 22.730 1.00 0.00 C ATOM 856 OG1 THR A 55 -43.979 -26.383 23.840 1.00 0.00 O ATOM 857 CG2 THR A 55 -43.422 -27.569 21.817 1.00 0.00 C ATOM 0 H THR A 55 -41.150 -27.165 21.301 1.00 0.00 H new ATOM 0 HA THR A 55 -41.375 -25.602 23.762 1.00 0.00 H new ATOM 0 HB THR A 55 -43.199 -25.459 22.170 1.00 0.00 H new ATOM 0 HG1 THR A 55 -44.902 -26.300 23.520 1.00 0.00 H new ATOM 0 HG21 THR A 55 -44.447 -27.475 21.458 1.00 0.00 H new ATOM 0 HG22 THR A 55 -42.739 -27.575 20.967 1.00 0.00 H new ATOM 0 HG23 THR A 55 -43.316 -28.500 22.374 1.00 0.00 H new ATOM 1533 N ASP A 101 37.655 -6.233 -3.701 1.00 0.00 N ATOM 1534 CA ASP A 101 38.281 -5.410 -2.673 1.00 0.00 C ATOM 1535 C ASP A 101 39.644 -5.975 -2.285 1.00 0.00 C ATOM 1536 O ASP A 101 40.530 -5.240 -1.849 1.00 0.00 O ATOM 1537 CB ASP A 101 37.382 -5.343 -1.436 1.00 0.00 C ATOM 1538 CG ASP A 101 37.490 -3.966 -0.789 1.00 0.00 C ATOM 1539 OD1 ASP A 101 37.312 -2.987 -1.493 1.00 0.00 O ATOM 1540 OD2 ASP A 101 37.751 -3.912 0.403 1.00 0.00 O ATOM 0 HA ASP A 101 38.420 -4.407 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 101 36.348 -5.542 -1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 101 37.673 -6.114 -0.722 1.00 0.00 H new ATOM 1545 N LEU A 102 39.807 -7.286 -2.441 1.00 0.00 N ATOM 1546 CA LEU A 102 41.070 -7.927 -2.097 1.00 0.00 C ATOM 1547 C LEU A 102 42.108 -7.674 -3.171 1.00 0.00 C ATOM 1548 O LEU A 102 43.206 -7.189 -2.892 1.00 0.00 O ATOM 1549 CB LEU A 102 40.871 -9.430 -1.907 1.00 0.00 C ATOM 1550 CG LEU A 102 42.170 -10.058 -1.399 1.00 0.00 C ATOM 1551 CD1 LEU A 102 41.998 -10.477 0.061 1.00 0.00 C ATOM 1552 CD2 LEU A 102 42.508 -11.286 -2.245 1.00 0.00 C ATOM 0 H LEU A 102 39.090 -7.917 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 102 41.426 -7.497 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 102 40.064 -9.614 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 102 40.577 -9.890 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 102 42.978 -9.331 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 102 42.924 -10.924 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 102 41.758 -9.602 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 102 41.189 -11.204 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 102 43.434 -11.734 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 102 41.700 -12.013 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 102 42.632 -10.988 -3.286 1.00 0.00 H new ATOM 1564 N GLN A 103 41.748 -7.983 -4.398 1.00 0.00 N ATOM 1565 CA GLN A 103 42.655 -7.758 -5.508 1.00 0.00 C ATOM 1566 C GLN A 103 43.277 -6.383 -5.334 1.00 0.00 C ATOM 1567 O GLN A 103 44.324 -6.067 -5.903 1.00 0.00 O ATOM 1568 CB GLN A 103 41.886 -7.813 -6.829 1.00 0.00 C ATOM 1569 CG GLN A 103 42.358 -9.011 -7.658 1.00 0.00 C ATOM 1570 CD GLN A 103 41.736 -10.297 -7.122 1.00 0.00 C ATOM 1571 OE1 GLN A 103 40.513 -10.415 -7.056 1.00 0.00 O ATOM 1572 NE2 GLN A 103 42.511 -11.273 -6.733 1.00 0.00 N ATOM 0 H GLN A 103 40.846 -8.386 -4.653 1.00 0.00 H new ATOM 0 HA GLN A 103 43.428 -8.526 -5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 103 40.817 -7.893 -6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 103 42.040 -6.890 -7.388 1.00 0.00 H new ATOM 0 HG2 GLN A 103 42.081 -8.872 -8.703 1.00 0.00 H new ATOM 0 HG3 GLN A 103 43.445 -9.082 -7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 103 43.525 -11.173 -6.789 1.00 0.00 H new ATOM 0 HE22 GLN A 103 42.103 -12.136 -6.373 1.00 0.00 H new ATOM 1581 N ARG A 104 42.610 -5.577 -4.513 1.00 0.00 N ATOM 1582 CA ARG A 104 43.073 -4.228 -4.227 1.00 0.00 C ATOM 1583 C ARG A 104 44.078 -4.254 -3.082 1.00 0.00 C ATOM 1584 O ARG A 104 45.071 -3.534 -3.098 1.00 0.00 O ATOM 1585 CB ARG A 104 41.886 -3.335 -3.845 1.00 0.00 C ATOM 1586 CG ARG A 104 41.853 -2.086 -4.734 1.00 0.00 C ATOM 1587 CD ARG A 104 41.079 -2.392 -6.018 1.00 0.00 C ATOM 1588 NE ARG A 104 41.405 -1.413 -7.050 1.00 0.00 N ATOM 1589 CZ ARG A 104 40.472 -0.934 -7.869 1.00 0.00 C ATOM 1590 NH1 ARG A 104 39.235 -1.341 -7.767 1.00 0.00 N ATOM 1591 NH2 ARG A 104 40.793 -0.057 -8.781 1.00 0.00 N ATOM 0 H ARG A 104 41.747 -5.837 -4.035 1.00 0.00 H new ATOM 0 HA ARG A 104 43.553 -3.826 -5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 104 40.955 -3.891 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 104 41.964 -3.043 -2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 104 41.382 -1.260 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 104 42.868 -1.772 -4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 104 41.323 -3.395 -6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 104 40.008 -2.377 -5.818 1.00 0.00 H new ATOM 0 HE ARG A 104 42.368 -1.089 -7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 104 38.981 -2.029 -7.058 1.00 0.00 H new ATOM 0 HH12 ARG A 104 38.523 -0.971 -8.397 1.00 0.00 H new ATOM 0 HH21 ARG A 104 41.759 0.261 -8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 104 40.078 0.311 -9.409 1.00 0.00 H new ATOM 1605 N ALA A 105 43.811 -5.096 -2.089 1.00 0.00 N ATOM 1606 CA ALA A 105 44.700 -5.211 -0.942 1.00 0.00 C ATOM 1607 C ALA A 105 46.140 -5.411 -1.400 1.00 0.00 C ATOM 1608 O ALA A 105 47.026 -4.631 -1.052 1.00 0.00 O ATOM 1609 CB ALA A 105 44.273 -6.391 -0.067 1.00 0.00 C ATOM 0 H ALA A 105 42.992 -5.704 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 105 44.639 -4.289 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.943 -6.470 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.253 -6.233 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 105 44.318 -7.311 -0.650 1.00 0.00 H new ATOM 1615 N ILE A 106 46.368 -6.461 -2.184 1.00 0.00 N ATOM 1616 CA ILE A 106 47.709 -6.750 -2.682 1.00 0.00 C ATOM 1617 C ILE A 106 48.170 -5.655 -3.613 1.00 0.00 C ATOM 1618 O ILE A 106 49.231 -5.062 -3.433 1.00 0.00 O ATOM 1619 CB ILE A 106 47.735 -8.083 -3.431 1.00 0.00 C ATOM 1620 CG1 ILE A 106 46.501 -8.907 -3.062 1.00 0.00 C ATOM 1621 CG2 ILE A 106 48.998 -8.856 -3.049 1.00 0.00 C ATOM 1622 CD1 ILE A 106 45.368 -8.595 -4.038 1.00 0.00 C ATOM 0 H ILE A 106 45.650 -7.120 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 106 48.378 -6.808 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 106 47.733 -7.894 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 106 46.739 -9.970 -3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 106 46.190 -8.679 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 106 49.018 -9.807 -3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 106 49.878 -8.271 -3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 106 49.000 -9.042 -1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 106 44.489 -9.183 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 106 45.124 -7.534 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 106 45.681 -8.846 -5.051 1.00 0.00 H new ATOM 1634 N ALA A 107 47.355 -5.410 -4.609 1.00 0.00 N ATOM 1635 CA ALA A 107 47.661 -4.387 -5.603 1.00 0.00 C ATOM 1636 C ALA A 107 48.193 -3.125 -4.926 1.00 0.00 C ATOM 1637 O ALA A 107 49.323 -2.701 -5.178 1.00 0.00 O ATOM 1638 CB ALA A 107 46.404 -4.044 -6.405 1.00 0.00 C ATOM 0 H ALA A 107 46.473 -5.899 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 107 48.425 -4.778 -6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 107 46.642 -3.279 -7.145 1.00 0.00 H new ATOM 0 HB2 ALA A 107 46.040 -4.938 -6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 107 45.633 -3.670 -5.731 1.00 0.00 H new ATOM 1644 N LEU A 108 47.377 -2.537 -4.060 1.00 0.00 N ATOM 1645 CA LEU A 108 47.776 -1.330 -3.345 1.00 0.00 C ATOM 1646 C LEU A 108 49.168 -1.503 -2.752 1.00 0.00 C ATOM 1647 O LEU A 108 49.981 -0.579 -2.773 1.00 0.00 O ATOM 1648 CB LEU A 108 46.779 -1.031 -2.225 1.00 0.00 C ATOM 1649 CG LEU A 108 46.386 0.448 -2.266 1.00 0.00 C ATOM 1650 CD1 LEU A 108 45.383 0.740 -1.148 1.00 0.00 C ATOM 1651 CD2 LEU A 108 47.633 1.312 -2.069 1.00 0.00 C ATOM 0 H LEU A 108 46.440 -2.873 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 108 47.789 -0.498 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 108 45.893 -1.656 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 108 47.220 -1.274 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 108 45.933 0.677 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 108 45.103 1.793 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 108 44.494 0.124 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 108 45.836 0.511 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 108 47.354 2.365 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 108 48.086 1.083 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 108 48.349 1.104 -2.864 1.00 0.00 H new ATOM 1663 N SER A 109 49.436 -2.693 -2.224 1.00 0.00 N ATOM 1664 CA SER A 109 50.736 -2.971 -1.628 1.00 0.00 C ATOM 1665 C SER A 109 51.815 -3.009 -2.699 1.00 0.00 C ATOM 1666 O SER A 109 52.883 -2.420 -2.535 1.00 0.00 O ATOM 1667 CB SER A 109 50.701 -4.301 -0.877 1.00 0.00 C ATOM 1668 OG SER A 109 51.273 -4.128 0.412 1.00 0.00 O ATOM 0 H SER A 109 48.778 -3.472 -2.197 1.00 0.00 H new ATOM 0 HA SER A 109 50.969 -2.173 -0.924 1.00 0.00 H new ATOM 0 HB2 SER A 109 49.674 -4.654 -0.787 1.00 0.00 H new ATOM 0 HB3 SER A 109 51.251 -5.060 -1.433 1.00 0.00 H new ATOM 0 HG SER A 109 51.250 -4.979 0.897 1.00 0.00 H new ATOM 1674 N LEU A 110 51.530 -3.690 -3.802 1.00 0.00 N ATOM 1675 CA LEU A 110 52.493 -3.767 -4.887 1.00 0.00 C ATOM 1676 C LEU A 110 53.003 -2.368 -5.191 1.00 0.00 C ATOM 1677 O LEU A 110 54.058 -2.190 -5.798 1.00 0.00 O ATOM 1678 CB LEU A 110 51.833 -4.360 -6.135 1.00 0.00 C ATOM 1679 CG LEU A 110 52.390 -5.761 -6.398 1.00 0.00 C ATOM 1680 CD1 LEU A 110 51.789 -6.748 -5.397 1.00 0.00 C ATOM 1681 CD2 LEU A 110 52.026 -6.194 -7.821 1.00 0.00 C ATOM 0 H LEU A 110 50.655 -4.188 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 110 53.323 -4.409 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 110 50.753 -4.408 -5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 110 52.018 -3.717 -6.996 1.00 0.00 H new ATOM 0 HG LEU A 110 53.474 -5.747 -6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 110 52.187 -7.745 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 110 52.046 -6.440 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 110 50.705 -6.763 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 110 52.422 -7.192 -8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 110 50.942 -6.207 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 110 52.455 -5.492 -8.536 1.00 0.00 H new ATOM 1693 N ALA A 111 52.237 -1.376 -4.745 1.00 0.00 N ATOM 1694 CA ALA A 111 52.607 0.019 -4.954 1.00 0.00 C ATOM 1695 C ALA A 111 53.481 0.510 -3.806 1.00 0.00 C ATOM 1696 O ALA A 111 54.612 0.949 -4.013 1.00 0.00 O ATOM 1697 CB ALA A 111 51.351 0.884 -5.045 1.00 0.00 C ATOM 0 H ALA A 111 51.361 -1.512 -4.240 1.00 0.00 H new ATOM 0 HA ALA A 111 53.167 0.095 -5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 111 51.636 1.924 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 111 50.737 0.547 -5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 111 50.783 0.799 -4.119 1.00 0.00 H new ATOM 1703 N GLU A 112 52.947 0.426 -2.592 1.00 0.00 N ATOM 1704 CA GLU A 112 53.686 0.858 -1.414 1.00 0.00 C ATOM 1705 C GLU A 112 55.080 0.248 -1.421 1.00 0.00 C ATOM 1706 O GLU A 112 55.990 0.738 -0.752 1.00 0.00 O ATOM 1707 CB GLU A 112 52.944 0.431 -0.147 1.00 0.00 C ATOM 1708 CG GLU A 112 51.492 0.907 -0.223 1.00 0.00 C ATOM 1709 CD GLU A 112 51.444 2.368 -0.655 1.00 0.00 C ATOM 1710 OE1 GLU A 112 51.726 3.220 0.171 1.00 0.00 O ATOM 1711 OE2 GLU A 112 51.125 2.614 -1.807 1.00 0.00 O ATOM 0 H GLU A 112 52.012 0.065 -2.400 1.00 0.00 H new ATOM 0 HA GLU A 112 53.771 1.945 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 112 52.978 -0.653 -0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 112 53.431 0.853 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 112 50.936 0.292 -0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 112 51.011 0.790 0.748 1.00 0.00 H new ATOM 1718 N SER A 113 55.242 -0.822 -2.192 1.00 0.00 N ATOM 1719 CA SER A 113 56.532 -1.491 -2.290 1.00 0.00 C ATOM 1720 C SER A 113 57.350 -0.883 -3.421 1.00 0.00 C ATOM 1721 O SER A 113 58.495 -0.478 -3.223 1.00 0.00 O ATOM 1722 CB SER A 113 56.330 -2.986 -2.542 1.00 0.00 C ATOM 1723 OG SER A 113 56.685 -3.289 -3.884 1.00 0.00 O ATOM 0 H SER A 113 54.501 -1.241 -2.754 1.00 0.00 H new ATOM 0 HA SER A 113 57.069 -1.358 -1.351 1.00 0.00 H new ATOM 0 HB2 SER A 113 56.941 -3.568 -1.852 1.00 0.00 H new ATOM 0 HB3 SER A 113 55.291 -3.260 -2.358 1.00 0.00 H new ATOM 0 HG SER A 113 56.558 -4.247 -4.048 1.00 0.00 H new ATOM 1902 N GLU A 125 82.180 4.519 -3.627 1.00 0.00 N ATOM 1903 CA GLU A 125 83.082 5.606 -3.990 1.00 0.00 C ATOM 1904 C GLU A 125 84.385 5.511 -3.201 1.00 0.00 C ATOM 1905 O GLU A 125 85.456 5.833 -3.716 1.00 0.00 O ATOM 1906 CB GLU A 125 82.413 6.956 -3.718 1.00 0.00 C ATOM 1907 CG GLU A 125 81.052 6.997 -4.416 1.00 0.00 C ATOM 1908 CD GLU A 125 79.948 6.629 -3.431 1.00 0.00 C ATOM 1909 OE1 GLU A 125 80.204 5.811 -2.563 1.00 0.00 O ATOM 1910 OE2 GLU A 125 78.862 7.170 -3.559 1.00 0.00 O ATOM 0 HA GLU A 125 83.309 5.522 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 125 82.289 7.103 -2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 125 83.045 7.767 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 125 80.872 7.993 -4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 125 81.045 6.305 -5.258 1.00 0.00 H new ATOM 1917 N GLU A 126 84.289 5.067 -1.951 1.00 0.00 N ATOM 1918 CA GLU A 126 85.471 4.933 -1.108 1.00 0.00 C ATOM 1919 C GLU A 126 86.412 3.875 -1.674 1.00 0.00 C ATOM 1920 O GLU A 126 87.593 4.136 -1.901 1.00 0.00 O ATOM 1921 CB GLU A 126 85.059 4.544 0.313 1.00 0.00 C ATOM 1922 CG GLU A 126 84.666 5.801 1.092 1.00 0.00 C ATOM 1923 CD GLU A 126 83.377 6.384 0.524 1.00 0.00 C ATOM 1924 OE1 GLU A 126 83.452 7.057 -0.491 1.00 0.00 O ATOM 1925 OE2 GLU A 126 82.334 6.148 1.112 1.00 0.00 O ATOM 0 H GLU A 126 83.413 4.796 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 126 85.989 5.892 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 126 84.223 3.846 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 126 85.881 4.034 0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 126 84.532 5.559 2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 126 85.465 6.540 1.034 1.00 0.00 H new ATOM 1932 N GLN A 127 85.876 2.681 -1.909 1.00 0.00 N ATOM 1933 CA GLN A 127 86.675 1.594 -2.458 1.00 0.00 C ATOM 1934 C GLN A 127 87.145 1.946 -3.865 1.00 0.00 C ATOM 1935 O GLN A 127 88.257 1.602 -4.263 1.00 0.00 O ATOM 1936 CB GLN A 127 85.854 0.303 -2.496 1.00 0.00 C ATOM 1937 CG GLN A 127 84.576 0.529 -3.305 1.00 0.00 C ATOM 1938 CD GLN A 127 84.578 -0.358 -4.545 1.00 0.00 C ATOM 1939 OE1 GLN A 127 84.594 -1.585 -4.432 1.00 0.00 O ATOM 1940 NE2 GLN A 127 84.561 0.190 -5.729 1.00 0.00 N ATOM 0 H GLN A 127 84.900 2.444 -1.729 1.00 0.00 H new ATOM 0 HA GLN A 127 87.545 1.444 -1.819 1.00 0.00 H new ATOM 0 HB2 GLN A 127 86.441 -0.500 -2.942 1.00 0.00 H new ATOM 0 HB3 GLN A 127 85.604 -0.010 -1.482 1.00 0.00 H new ATOM 0 HG2 GLN A 127 83.703 0.307 -2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 127 84.502 1.576 -3.598 1.00 0.00 H new ATOM 0 HE21 GLN A 127 84.548 1.206 -5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 127 84.561 -0.397 -6.563 1.00 0.00 H new ATOM 1949 N ALA A 128 86.289 2.640 -4.610 1.00 0.00 N ATOM 1950 CA ALA A 128 86.629 3.041 -5.969 1.00 0.00 C ATOM 1951 C ALA A 128 87.882 3.910 -5.963 1.00 0.00 C ATOM 1952 O ALA A 128 88.961 3.462 -6.349 1.00 0.00 O ATOM 1953 CB ALA A 128 85.467 3.815 -6.591 1.00 0.00 C ATOM 0 H ALA A 128 85.363 2.934 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 128 86.821 2.146 -6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 128 85.729 4.111 -7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 128 84.580 3.182 -6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 128 85.262 4.705 -5.995 1.00 0.00 H new ATOM 1959 N ILE A 129 87.733 5.154 -5.517 1.00 0.00 N ATOM 1960 CA ILE A 129 88.865 6.070 -5.463 1.00 0.00 C ATOM 1961 C ILE A 129 90.138 5.317 -5.095 1.00 0.00 C ATOM 1962 O ILE A 129 91.204 5.571 -5.656 1.00 0.00 O ATOM 1963 CB ILE A 129 88.603 7.170 -4.430 1.00 0.00 C ATOM 1964 CG1 ILE A 129 87.645 8.214 -5.015 1.00 0.00 C ATOM 1965 CG2 ILE A 129 89.924 7.845 -4.057 1.00 0.00 C ATOM 1966 CD1 ILE A 129 88.253 8.825 -6.280 1.00 0.00 C ATOM 0 H ILE A 129 86.850 5.547 -5.191 1.00 0.00 H new ATOM 0 HA ILE A 129 88.991 6.523 -6.447 1.00 0.00 H new ATOM 0 HB ILE A 129 88.154 6.728 -3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 129 86.686 7.751 -5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 129 87.451 8.995 -4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 129 89.738 8.628 -3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 129 90.604 7.105 -3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 129 90.373 8.284 -4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 129 87.568 9.566 -6.692 1.00 0.00 H new ATOM 0 HD12 ILE A 129 89.201 9.304 -6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 129 88.424 8.040 -7.017 1.00 0.00 H new ATOM 1978 N SER A 130 90.020 4.386 -4.153 1.00 0.00 N ATOM 1979 CA SER A 130 91.170 3.599 -3.723 1.00 0.00 C ATOM 1980 C SER A 130 91.652 2.697 -4.853 1.00 0.00 C ATOM 1981 O SER A 130 92.726 2.909 -5.417 1.00 0.00 O ATOM 1982 CB SER A 130 90.797 2.745 -2.511 1.00 0.00 C ATOM 1983 OG SER A 130 91.880 1.880 -2.196 1.00 0.00 O ATOM 0 H SER A 130 89.147 4.160 -3.676 1.00 0.00 H new ATOM 0 HA SER A 130 91.973 4.284 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 130 90.567 3.384 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 130 89.901 2.162 -2.724 1.00 0.00 H new ATOM 0 HG SER A 130 91.645 1.332 -1.418 1.00 0.00 H new ATOM 1989 N ARG A 131 90.848 1.690 -5.179 1.00 0.00 N ATOM 1990 CA ARG A 131 91.195 0.757 -6.244 1.00 0.00 C ATOM 1991 C ARG A 131 91.782 1.501 -7.442 1.00 0.00 C ATOM 1992 O ARG A 131 92.827 1.119 -7.970 1.00 0.00 O ATOM 1993 CB ARG A 131 89.950 -0.019 -6.680 1.00 0.00 C ATOM 1994 CG ARG A 131 90.300 -0.962 -7.834 1.00 0.00 C ATOM 1995 CD ARG A 131 91.187 -2.097 -7.321 1.00 0.00 C ATOM 1996 NE ARG A 131 90.646 -2.641 -6.081 1.00 0.00 N ATOM 1997 CZ ARG A 131 89.568 -3.418 -6.083 1.00 0.00 C ATOM 1998 NH1 ARG A 131 88.970 -3.703 -7.208 1.00 0.00 N ATOM 1999 NH2 ARG A 131 89.106 -3.894 -4.960 1.00 0.00 N ATOM 0 H ARG A 131 89.956 1.500 -4.723 1.00 0.00 H new ATOM 0 HA ARG A 131 91.943 0.062 -5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 131 89.554 -0.590 -5.840 1.00 0.00 H new ATOM 0 HB3 ARG A 131 89.169 0.675 -6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 131 89.389 -1.369 -8.273 1.00 0.00 H new ATOM 0 HG3 ARG A 131 90.815 -0.413 -8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 131 91.254 -2.884 -8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 131 92.199 -1.729 -7.154 1.00 0.00 H new ATOM 0 HE ARG A 131 91.103 -2.421 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 131 89.330 -3.329 -8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 131 88.143 -4.299 -7.209 1.00 0.00 H new ATOM 0 HH21 ARG A 131 89.572 -3.670 -4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 131 88.279 -4.490 -4.961 1.00 0.00 H new ATOM 2013 N VAL A 132 91.102 2.561 -7.869 1.00 0.00 N ATOM 2014 CA VAL A 132 91.565 3.345 -9.008 1.00 0.00 C ATOM 2015 C VAL A 132 92.977 3.869 -8.763 1.00 0.00 C ATOM 2016 O VAL A 132 93.910 3.528 -9.490 1.00 0.00 O ATOM 2017 CB VAL A 132 90.615 4.518 -9.257 1.00 0.00 C ATOM 2018 CG1 VAL A 132 90.947 5.167 -10.602 1.00 0.00 C ATOM 2019 CG2 VAL A 132 89.172 4.008 -9.283 1.00 0.00 C ATOM 0 H VAL A 132 90.235 2.894 -7.447 1.00 0.00 H new ATOM 0 HA VAL A 132 91.580 2.700 -9.886 1.00 0.00 H new ATOM 0 HB VAL A 132 90.729 5.253 -8.460 1.00 0.00 H new ATOM 0 HG11 VAL A 132 90.270 6.003 -10.780 1.00 0.00 H new ATOM 0 HG12 VAL A 132 91.975 5.529 -10.587 1.00 0.00 H new ATOM 0 HG13 VAL A 132 90.833 4.432 -11.399 1.00 0.00 H new ATOM 0 HG21 VAL A 132 88.494 4.843 -9.460 1.00 0.00 H new ATOM 0 HG22 VAL A 132 89.060 3.274 -10.081 1.00 0.00 H new ATOM 0 HG23 VAL A 132 88.933 3.544 -8.326 1.00 0.00 H new ATOM 2029 N LEU A 133 93.127 4.699 -7.735 1.00 0.00 N ATOM 2030 CA LEU A 133 94.433 5.262 -7.407 1.00 0.00 C ATOM 2031 C LEU A 133 95.521 4.200 -7.542 1.00 0.00 C ATOM 2032 O LEU A 133 96.644 4.495 -7.947 1.00 0.00 O ATOM 2033 CB LEU A 133 94.421 5.811 -5.976 1.00 0.00 C ATOM 2034 CG LEU A 133 94.804 7.293 -5.989 1.00 0.00 C ATOM 2035 CD1 LEU A 133 96.145 7.471 -6.702 1.00 0.00 C ATOM 2036 CD2 LEU A 133 93.725 8.092 -6.724 1.00 0.00 C ATOM 0 H LEU A 133 92.369 4.995 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 133 94.646 6.073 -8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 133 93.432 5.685 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 133 95.120 5.250 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 133 94.889 7.653 -4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 133 96.415 8.527 -6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 133 96.914 6.903 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 133 96.063 7.110 -7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 133 93.997 9.147 -6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 133 93.639 7.730 -7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 133 92.770 7.968 -6.214 1.00 0.00 H new ATOM 2048 N GLU A 134 95.176 2.961 -7.202 1.00 0.00 N ATOM 2049 CA GLU A 134 96.130 1.860 -7.289 1.00 0.00 C ATOM 2050 C GLU A 134 96.583 1.657 -8.732 1.00 0.00 C ATOM 2051 O GLU A 134 97.778 1.560 -9.010 1.00 0.00 O ATOM 2052 CB GLU A 134 95.490 0.571 -6.768 1.00 0.00 C ATOM 2053 CG GLU A 134 96.585 -0.426 -6.382 1.00 0.00 C ATOM 2054 CD GLU A 134 95.992 -1.552 -5.542 1.00 0.00 C ATOM 2055 OE1 GLU A 134 95.106 -2.230 -6.036 1.00 0.00 O ATOM 2056 OE2 GLU A 134 96.433 -1.721 -4.418 1.00 0.00 O ATOM 0 H GLU A 134 94.250 2.696 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 134 96.998 2.107 -6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 134 94.861 0.788 -5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 134 94.844 0.139 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 134 97.048 -0.836 -7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 134 97.370 0.082 -5.822 1.00 0.00 H new ATOM 2063 N ALA A 135 95.621 1.592 -9.646 1.00 0.00 N ATOM 2064 CA ALA A 135 95.934 1.399 -11.057 1.00 0.00 C ATOM 2065 C ALA A 135 96.828 2.524 -11.571 1.00 0.00 C ATOM 2066 O ALA A 135 97.461 2.398 -12.618 1.00 0.00 O ATOM 2067 CB ALA A 135 94.644 1.353 -11.879 1.00 0.00 C ATOM 0 H ALA A 135 94.626 1.669 -9.438 1.00 0.00 H new ATOM 0 HA ALA A 135 96.466 0.453 -11.163 1.00 0.00 H new ATOM 0 HB1 ALA A 135 94.888 1.209 -12.931 1.00 0.00 H new ATOM 0 HB2 ALA A 135 94.022 0.527 -11.534 1.00 0.00 H new ATOM 0 HB3 ALA A 135 94.102 2.291 -11.758 1.00 0.00 H new ATOM 2073 N SER A 136 96.874 3.624 -10.826 1.00 0.00 N ATOM 2074 CA SER A 136 97.696 4.765 -11.217 1.00 0.00 C ATOM 2075 C SER A 136 99.115 4.609 -10.682 1.00 0.00 C ATOM 2076 O SER A 136 100.088 4.742 -11.424 1.00 0.00 O ATOM 2077 CB SER A 136 97.086 6.059 -10.679 1.00 0.00 C ATOM 2078 OG SER A 136 95.749 6.178 -11.144 1.00 0.00 O ATOM 0 H SER A 136 96.357 3.750 -9.956 1.00 0.00 H new ATOM 0 HA SER A 136 97.731 4.807 -12.306 1.00 0.00 H new ATOM 0 HB2 SER A 136 97.105 6.058 -9.589 1.00 0.00 H new ATOM 0 HB3 SER A 136 97.675 6.916 -11.007 1.00 0.00 H new ATOM 0 HG SER A 136 95.355 7.006 -10.799 1.00 0.00 H new