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 33 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 37 GLN : amide:sc= -1.96! C(o=-2!,f=-3.5!) USER MOD Single : A 17 GLN : amide:sc= -1.65! C(o=-1.7!,f=-2.7!) USER MOD Single : A 18 GLN : amide:sc= -3.18! C(o=-3.2!,f=-9.9!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.000343 X(o=-0.00034,f=0) USER MOD Single : A 23 GLN : amide:sc= -12.4! C(o=-12!,f=-6.6!) USER MOD Single : A 28 THR OG1 : rot 0:sc= 0.177! USER MOD Single : A 31 ASN : amide:sc= -1.83! C(o=-1.8!,f=-7!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.068) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 14:sc= -4.6! USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.115 K(o=-0.11,f=-2.4!) USER MOD Single : A 109 SER OG : rot 180:sc= 0.00971 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.4!) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot -88:sc= 0.512 USER MOD ----------------------------------------------------------------- ATOM 250 N GLN A 17 -17.466 -30.138 42.009 1.00 0.00 N ATOM 251 CA GLN A 17 -17.825 -29.242 43.104 1.00 0.00 C ATOM 252 C GLN A 17 -18.151 -27.847 42.576 1.00 0.00 C ATOM 253 O GLN A 17 -18.952 -27.123 43.165 1.00 0.00 O ATOM 254 CB GLN A 17 -16.682 -29.148 44.118 1.00 0.00 C ATOM 255 CG GLN A 17 -16.688 -30.383 45.024 1.00 0.00 C ATOM 256 CD GLN A 17 -16.033 -31.561 44.310 1.00 0.00 C ATOM 257 OE1 GLN A 17 -14.989 -32.049 44.746 1.00 0.00 O ATOM 258 NE2 GLN A 17 -16.586 -32.051 43.235 1.00 0.00 N ATOM 0 HA GLN A 17 -18.708 -29.651 43.595 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -15.727 -29.072 43.597 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -16.790 -28.245 44.719 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -16.155 -30.167 45.950 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -17.712 -30.638 45.298 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -17.450 -31.645 42.876 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -16.154 -32.840 42.754 1.00 0.00 H new ATOM 267 N GLN A 18 -17.523 -27.473 41.465 1.00 0.00 N ATOM 268 CA GLN A 18 -17.757 -26.159 40.877 1.00 0.00 C ATOM 269 C GLN A 18 -19.219 -26.004 40.470 1.00 0.00 C ATOM 270 O GLN A 18 -19.908 -25.096 40.932 1.00 0.00 O ATOM 271 CB GLN A 18 -16.861 -25.966 39.654 1.00 0.00 C ATOM 272 CG GLN A 18 -15.530 -25.349 40.088 1.00 0.00 C ATOM 273 CD GLN A 18 -14.976 -26.104 41.291 1.00 0.00 C ATOM 274 OE1 GLN A 18 -15.254 -27.290 41.462 1.00 0.00 O ATOM 275 NE2 GLN A 18 -14.201 -25.484 42.139 1.00 0.00 N ATOM 0 H GLN A 18 -16.855 -28.054 40.959 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.519 -25.402 41.624 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.687 -26.923 39.163 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.354 -25.320 38.927 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.817 -25.386 39.265 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.672 -24.298 40.341 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.972 -24.501 41.995 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.825 -25.983 42.945 1.00 0.00 H new ATOM 284 N THR A 19 -19.686 -26.896 39.602 1.00 0.00 N ATOM 285 CA THR A 19 -21.068 -26.844 39.143 1.00 0.00 C ATOM 286 C THR A 19 -22.006 -27.318 40.244 1.00 0.00 C ATOM 287 O THR A 19 -23.121 -26.820 40.396 1.00 0.00 O ATOM 288 CB THR A 19 -21.229 -27.708 37.880 1.00 0.00 C ATOM 289 OG1 THR A 19 -21.822 -26.931 36.850 1.00 0.00 O ATOM 290 CG2 THR A 19 -22.111 -28.928 38.168 1.00 0.00 C ATOM 0 H THR A 19 -19.133 -27.656 39.206 1.00 0.00 H new ATOM 0 HA THR A 19 -21.326 -25.814 38.896 1.00 0.00 H new ATOM 0 HB THR A 19 -20.244 -28.055 37.566 1.00 0.00 H new ATOM 0 HG1 THR A 19 -21.924 -27.479 36.044 1.00 0.00 H new ATOM 0 HG21 THR A 19 -22.212 -29.526 37.262 1.00 0.00 H new ATOM 0 HG22 THR A 19 -21.653 -29.531 38.952 1.00 0.00 H new ATOM 0 HG23 THR A 19 -23.096 -28.596 38.495 1.00 0.00 H new ATOM 298 N PHE A 20 -21.529 -28.282 41.005 1.00 0.00 N ATOM 299 CA PHE A 20 -22.302 -28.843 42.106 1.00 0.00 C ATOM 300 C PHE A 20 -22.818 -27.741 43.026 1.00 0.00 C ATOM 301 O PHE A 20 -24.025 -27.583 43.209 1.00 0.00 O ATOM 302 CB PHE A 20 -21.421 -29.795 42.913 1.00 0.00 C ATOM 303 CG PHE A 20 -22.279 -30.784 43.663 1.00 0.00 C ATOM 304 CD1 PHE A 20 -23.181 -30.337 44.638 1.00 0.00 C ATOM 305 CD2 PHE A 20 -22.165 -32.152 43.390 1.00 0.00 C ATOM 306 CE1 PHE A 20 -23.967 -31.258 45.337 1.00 0.00 C ATOM 307 CE2 PHE A 20 -22.950 -33.072 44.092 1.00 0.00 C ATOM 308 CZ PHE A 20 -23.851 -32.624 45.063 1.00 0.00 C ATOM 0 H PHE A 20 -20.606 -28.698 40.884 1.00 0.00 H new ATOM 0 HA PHE A 20 -23.154 -29.380 41.689 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -20.739 -30.324 42.247 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -20.807 -29.229 43.614 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -23.269 -29.282 44.849 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -21.471 -32.497 42.638 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -24.663 -30.915 46.088 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -22.860 -34.128 43.884 1.00 0.00 H new ATOM 0 HZ PHE A 20 -24.459 -33.335 45.603 1.00 0.00 H new ATOM 318 N LEU A 21 -21.892 -26.993 43.611 1.00 0.00 N ATOM 319 CA LEU A 21 -22.253 -25.917 44.527 1.00 0.00 C ATOM 320 C LEU A 21 -22.956 -24.782 43.787 1.00 0.00 C ATOM 321 O LEU A 21 -23.825 -24.112 44.348 1.00 0.00 O ATOM 322 CB LEU A 21 -20.999 -25.389 45.231 1.00 0.00 C ATOM 323 CG LEU A 21 -20.238 -26.559 45.864 1.00 0.00 C ATOM 324 CD1 LEU A 21 -18.950 -26.045 46.515 1.00 0.00 C ATOM 325 CD2 LEU A 21 -21.115 -27.224 46.928 1.00 0.00 C ATOM 0 H LEU A 21 -20.889 -27.110 43.469 1.00 0.00 H new ATOM 0 HA LEU A 21 -22.943 -26.316 45.271 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -20.360 -24.869 44.517 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -21.277 -24.665 45.997 1.00 0.00 H new ATOM 0 HG LEU A 21 -19.988 -27.286 45.091 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -18.411 -26.879 46.964 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -18.323 -25.573 45.758 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -19.198 -25.316 47.286 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -20.573 -28.056 47.378 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -21.367 -26.496 47.699 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -22.030 -27.594 46.466 1.00 0.00 H new ATOM 337 N ASN A 22 -22.587 -24.570 42.528 1.00 0.00 N ATOM 338 CA ASN A 22 -23.205 -23.512 41.736 1.00 0.00 C ATOM 339 C ASN A 22 -24.707 -23.753 41.618 1.00 0.00 C ATOM 340 O ASN A 22 -25.508 -22.824 41.731 1.00 0.00 O ATOM 341 CB ASN A 22 -22.579 -23.461 40.341 1.00 0.00 C ATOM 342 CG ASN A 22 -22.766 -22.074 39.737 1.00 0.00 C ATOM 343 OD1 ASN A 22 -21.848 -21.253 39.768 1.00 0.00 O ATOM 344 ND2 ASN A 22 -23.906 -21.760 39.185 1.00 0.00 N ATOM 0 H ASN A 22 -21.872 -25.109 42.039 1.00 0.00 H new ATOM 0 HA ASN A 22 -23.035 -22.559 42.237 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -21.517 -23.701 40.401 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -23.040 -24.212 39.699 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -24.038 -20.834 38.778 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -24.665 -22.441 39.160 1.00 0.00 H new ATOM 351 N GLN A 23 -25.080 -25.010 41.399 1.00 0.00 N ATOM 352 CA GLN A 23 -26.490 -25.374 41.277 1.00 0.00 C ATOM 353 C GLN A 23 -27.196 -25.187 42.612 1.00 0.00 C ATOM 354 O GLN A 23 -28.251 -24.557 42.692 1.00 0.00 O ATOM 355 CB GLN A 23 -26.627 -26.835 40.844 1.00 0.00 C ATOM 356 CG GLN A 23 -26.850 -26.903 39.333 1.00 0.00 C ATOM 357 CD GLN A 23 -25.862 -25.990 38.618 1.00 0.00 C ATOM 358 OE1 GLN A 23 -26.133 -25.524 37.510 1.00 0.00 O ATOM 359 NE2 GLN A 23 -24.724 -25.703 39.187 1.00 0.00 N ATOM 0 H GLN A 23 -24.431 -25.791 41.303 1.00 0.00 H new ATOM 0 HA GLN A 23 -26.946 -24.728 40.526 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -25.729 -27.391 41.115 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -27.461 -27.303 41.366 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -26.727 -27.929 38.985 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -27.871 -26.605 39.094 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -24.501 -26.089 40.104 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -24.057 -25.092 38.715 1.00 0.00 H new ATOM 368 N LEU A 24 -26.598 -25.747 43.658 1.00 0.00 N ATOM 369 CA LEU A 24 -27.160 -25.650 44.995 1.00 0.00 C ATOM 370 C LEU A 24 -27.603 -24.219 45.281 1.00 0.00 C ATOM 371 O LEU A 24 -28.563 -23.990 46.010 1.00 0.00 O ATOM 372 CB LEU A 24 -26.114 -26.088 46.019 1.00 0.00 C ATOM 373 CG LEU A 24 -26.231 -27.594 46.260 1.00 0.00 C ATOM 374 CD1 LEU A 24 -25.132 -28.044 47.223 1.00 0.00 C ATOM 375 CD2 LEU A 24 -27.602 -27.909 46.866 1.00 0.00 C ATOM 0 H LEU A 24 -25.725 -26.272 43.603 1.00 0.00 H new ATOM 0 HA LEU A 24 -28.031 -26.302 45.064 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -25.114 -25.844 45.660 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -26.258 -25.548 46.955 1.00 0.00 H new ATOM 0 HG LEU A 24 -26.122 -28.123 45.313 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -25.216 -29.117 47.395 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -24.156 -27.820 46.792 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -25.240 -27.516 48.170 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -27.686 -28.982 47.038 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -27.712 -27.380 47.813 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -28.386 -27.589 46.179 1.00 0.00 H new ATOM 387 N ARG A 25 -26.900 -23.258 44.702 1.00 0.00 N ATOM 388 CA ARG A 25 -27.246 -21.856 44.895 1.00 0.00 C ATOM 389 C ARG A 25 -28.281 -21.413 43.861 1.00 0.00 C ATOM 390 O ARG A 25 -28.955 -20.399 44.036 1.00 0.00 O ATOM 391 CB ARG A 25 -25.993 -20.985 44.769 1.00 0.00 C ATOM 392 CG ARG A 25 -26.392 -19.575 44.324 1.00 0.00 C ATOM 393 CD ARG A 25 -25.210 -18.622 44.507 1.00 0.00 C ATOM 394 NE ARG A 25 -25.589 -17.270 44.112 1.00 0.00 N ATOM 395 CZ ARG A 25 -25.551 -16.890 42.839 1.00 0.00 C ATOM 396 NH1 ARG A 25 -25.168 -17.732 41.920 1.00 0.00 N ATOM 397 NH2 ARG A 25 -25.897 -15.675 42.509 1.00 0.00 N ATOM 0 H ARG A 25 -26.093 -23.419 44.099 1.00 0.00 H new ATOM 0 HA ARG A 25 -27.670 -21.740 45.892 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -25.470 -20.942 45.724 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -25.303 -21.424 44.048 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -26.703 -19.587 43.279 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -27.245 -19.227 44.906 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -24.886 -18.628 45.548 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -24.364 -18.960 43.908 1.00 0.00 H new ATOM 0 HE ARG A 25 -25.888 -16.605 44.825 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -24.898 -18.681 42.178 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -25.138 -17.442 40.943 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -26.197 -15.017 43.228 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -25.868 -15.384 41.532 1.00 0.00 H new ATOM 411 N GLU A 26 -28.367 -22.159 42.762 1.00 0.00 N ATOM 412 CA GLU A 26 -29.285 -21.816 41.675 1.00 0.00 C ATOM 413 C GLU A 26 -30.690 -22.398 41.854 1.00 0.00 C ATOM 414 O GLU A 26 -31.676 -21.660 41.839 1.00 0.00 O ATOM 415 CB GLU A 26 -28.707 -22.310 40.347 1.00 0.00 C ATOM 416 CG GLU A 26 -29.271 -21.471 39.198 1.00 0.00 C ATOM 417 CD GLU A 26 -29.517 -22.353 37.977 1.00 0.00 C ATOM 418 OE1 GLU A 26 -30.351 -23.238 38.068 1.00 0.00 O ATOM 419 OE2 GLU A 26 -28.866 -22.130 36.970 1.00 0.00 O ATOM 0 H GLU A 26 -27.815 -23.002 42.599 1.00 0.00 H new ATOM 0 HA GLU A 26 -29.386 -20.731 41.685 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -27.619 -22.239 40.363 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -28.955 -23.361 40.199 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -30.202 -20.996 39.507 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -28.574 -20.672 38.945 1.00 0.00 H new ATOM 426 N ILE A 27 -30.788 -23.721 41.967 1.00 0.00 N ATOM 427 CA ILE A 27 -32.098 -24.368 42.080 1.00 0.00 C ATOM 428 C ILE A 27 -32.850 -23.955 43.326 1.00 0.00 C ATOM 429 O ILE A 27 -34.052 -23.701 43.271 1.00 0.00 O ATOM 430 CB ILE A 27 -31.973 -25.903 42.026 1.00 0.00 C ATOM 431 CG1 ILE A 27 -31.774 -26.530 43.412 1.00 0.00 C ATOM 432 CG2 ILE A 27 -30.781 -26.279 41.177 1.00 0.00 C ATOM 433 CD1 ILE A 27 -30.341 -26.285 43.890 1.00 0.00 C ATOM 0 H ILE A 27 -29.992 -24.359 41.983 1.00 0.00 H new ATOM 0 HA ILE A 27 -32.675 -24.028 41.220 1.00 0.00 H new ATOM 0 HB ILE A 27 -32.906 -26.280 41.607 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -32.482 -26.101 44.121 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -31.975 -27.600 43.369 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -30.690 -27.365 41.137 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -30.915 -25.889 40.168 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -29.876 -25.855 41.612 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -30.204 -26.732 44.875 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.641 -26.736 43.187 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.156 -25.213 43.950 1.00 0.00 H new ATOM 445 N THR A 28 -32.168 -23.919 44.453 1.00 0.00 N ATOM 446 CA THR A 28 -32.847 -23.568 45.683 1.00 0.00 C ATOM 447 C THR A 28 -32.612 -22.106 46.060 1.00 0.00 C ATOM 448 O THR A 28 -33.177 -21.607 47.035 1.00 0.00 O ATOM 449 CB THR A 28 -32.437 -24.518 46.812 1.00 0.00 C ATOM 450 OG1 THR A 28 -32.866 -23.990 48.058 1.00 0.00 O ATOM 451 CG2 THR A 28 -30.924 -24.721 46.829 1.00 0.00 C ATOM 0 H THR A 28 -31.173 -24.122 44.543 1.00 0.00 H new ATOM 0 HA THR A 28 -33.919 -23.681 45.521 1.00 0.00 H new ATOM 0 HB THR A 28 -32.911 -25.485 46.641 1.00 0.00 H new ATOM 0 HG1 THR A 28 -33.330 -23.140 47.911 1.00 0.00 H new ATOM 0 HG21 THR A 28 -30.657 -25.399 47.639 1.00 0.00 H new ATOM 0 HG22 THR A 28 -30.603 -25.147 45.878 1.00 0.00 H new ATOM 0 HG23 THR A 28 -30.430 -23.761 46.981 1.00 0.00 H new ATOM 459 N GLY A 29 -31.803 -21.416 45.263 1.00 0.00 N ATOM 460 CA GLY A 29 -31.526 -19.999 45.494 1.00 0.00 C ATOM 461 C GLY A 29 -30.806 -19.754 46.817 1.00 0.00 C ATOM 462 O GLY A 29 -30.805 -18.633 47.326 1.00 0.00 O ATOM 0 H GLY A 29 -31.327 -21.812 44.452 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -30.918 -19.613 44.676 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -32.463 -19.442 45.485 1.00 0.00 H new ATOM 466 N ILE A 30 -30.188 -20.790 47.368 1.00 0.00 N ATOM 467 CA ILE A 30 -29.467 -20.639 48.626 1.00 0.00 C ATOM 468 C ILE A 30 -28.103 -20.001 48.373 1.00 0.00 C ATOM 469 O ILE A 30 -27.239 -20.598 47.731 1.00 0.00 O ATOM 470 CB ILE A 30 -29.280 -22.000 49.294 1.00 0.00 C ATOM 471 CG1 ILE A 30 -30.649 -22.621 49.593 1.00 0.00 C ATOM 472 CG2 ILE A 30 -28.498 -21.830 50.596 1.00 0.00 C ATOM 473 CD1 ILE A 30 -31.216 -22.042 50.892 1.00 0.00 C ATOM 0 H ILE A 30 -30.170 -21.730 46.972 1.00 0.00 H new ATOM 0 HA ILE A 30 -30.049 -19.995 49.286 1.00 0.00 H new ATOM 0 HB ILE A 30 -28.726 -22.657 48.623 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -31.334 -22.425 48.768 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -30.555 -23.704 49.678 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -28.366 -22.802 51.071 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -27.522 -21.396 50.380 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -29.048 -21.170 51.267 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -32.189 -22.489 51.096 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -30.536 -22.261 51.715 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -31.327 -20.962 50.791 1.00 0.00 H new ATOM 485 N ASN A 31 -27.920 -18.784 48.874 1.00 0.00 N ATOM 486 CA ASN A 31 -26.659 -18.072 48.688 1.00 0.00 C ATOM 487 C ASN A 31 -25.586 -18.618 49.624 1.00 0.00 C ATOM 488 O ASN A 31 -24.481 -18.945 49.191 1.00 0.00 O ATOM 489 CB ASN A 31 -26.858 -16.575 48.945 1.00 0.00 C ATOM 490 CG ASN A 31 -26.569 -16.248 50.408 1.00 0.00 C ATOM 491 OD1 ASN A 31 -27.315 -16.659 51.295 1.00 0.00 O ATOM 492 ND2 ASN A 31 -25.522 -15.530 50.712 1.00 0.00 N ATOM 0 H ASN A 31 -28.622 -18.272 49.408 1.00 0.00 H new ATOM 0 HA ASN A 31 -26.331 -18.221 47.659 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -26.198 -15.997 48.298 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -27.880 -16.288 48.696 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -25.321 -15.309 51.687 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -24.905 -15.190 49.974 1.00 0.00 H new ATOM 499 N ASP A 32 -25.916 -18.713 50.908 1.00 0.00 N ATOM 500 CA ASP A 32 -24.966 -19.222 51.892 1.00 0.00 C ATOM 501 C ASP A 32 -24.211 -20.420 51.328 1.00 0.00 C ATOM 502 O ASP A 32 -24.750 -21.523 51.247 1.00 0.00 O ATOM 503 CB ASP A 32 -25.697 -19.630 53.171 1.00 0.00 C ATOM 504 CG ASP A 32 -26.667 -18.531 53.594 1.00 0.00 C ATOM 505 OD1 ASP A 32 -27.713 -18.421 52.975 1.00 0.00 O ATOM 506 OD2 ASP A 32 -26.351 -17.817 54.532 1.00 0.00 O ATOM 0 H ASP A 32 -26.824 -18.447 51.289 1.00 0.00 H new ATOM 0 HA ASP A 32 -24.254 -18.431 52.125 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -26.239 -20.561 53.008 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -24.976 -19.816 53.967 1.00 0.00 H new ATOM 511 N THR A 33 -22.961 -20.193 50.938 1.00 0.00 N ATOM 512 CA THR A 33 -22.140 -21.259 50.379 1.00 0.00 C ATOM 513 C THR A 33 -21.730 -22.252 51.465 1.00 0.00 C ATOM 514 O THR A 33 -21.491 -23.427 51.185 1.00 0.00 O ATOM 515 CB THR A 33 -20.890 -20.664 49.728 1.00 0.00 C ATOM 516 OG1 THR A 33 -20.342 -21.602 48.811 1.00 0.00 O ATOM 517 CG2 THR A 33 -19.856 -20.339 50.807 1.00 0.00 C ATOM 0 H THR A 33 -22.497 -19.286 50.998 1.00 0.00 H new ATOM 0 HA THR A 33 -22.726 -21.788 49.627 1.00 0.00 H new ATOM 0 HB THR A 33 -21.157 -19.750 49.197 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.542 -21.221 48.392 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.966 -19.915 50.342 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.277 -19.619 51.509 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.588 -21.251 51.340 1.00 0.00 H new ATOM 525 N GLN A 34 -21.654 -21.773 52.704 1.00 0.00 N ATOM 526 CA GLN A 34 -21.273 -22.629 53.821 1.00 0.00 C ATOM 527 C GLN A 34 -22.252 -23.790 53.963 1.00 0.00 C ATOM 528 O GLN A 34 -21.850 -24.927 54.211 1.00 0.00 O ATOM 529 CB GLN A 34 -21.253 -21.818 55.119 1.00 0.00 C ATOM 530 CG GLN A 34 -20.046 -20.879 55.119 1.00 0.00 C ATOM 531 CD GLN A 34 -20.233 -19.791 56.172 1.00 0.00 C ATOM 532 OE1 GLN A 34 -20.746 -18.714 55.869 1.00 0.00 O ATOM 533 NE2 GLN A 34 -19.846 -20.011 57.399 1.00 0.00 N ATOM 0 H GLN A 34 -21.850 -20.805 52.958 1.00 0.00 H new ATOM 0 HA GLN A 34 -20.277 -23.027 53.625 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -22.174 -21.243 55.214 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -21.205 -22.488 55.977 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -19.136 -21.443 55.324 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -19.926 -20.427 54.134 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -19.421 -20.904 57.647 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -19.968 -19.289 58.110 1.00 0.00 H new ATOM 542 N ILE A 35 -23.539 -23.494 53.808 1.00 0.00 N ATOM 543 CA ILE A 35 -24.568 -24.520 53.925 1.00 0.00 C ATOM 544 C ILE A 35 -24.479 -25.507 52.767 1.00 0.00 C ATOM 545 O ILE A 35 -24.537 -26.720 52.970 1.00 0.00 O ATOM 546 CB ILE A 35 -25.956 -23.876 53.944 1.00 0.00 C ATOM 547 CG1 ILE A 35 -25.926 -22.635 54.837 1.00 0.00 C ATOM 548 CG2 ILE A 35 -26.975 -24.873 54.499 1.00 0.00 C ATOM 549 CD1 ILE A 35 -25.467 -23.026 56.242 1.00 0.00 C ATOM 0 H ILE A 35 -23.892 -22.559 53.603 1.00 0.00 H new ATOM 0 HA ILE A 35 -24.407 -25.058 54.859 1.00 0.00 H new ATOM 0 HB ILE A 35 -26.239 -23.593 52.930 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -25.251 -21.889 54.417 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -26.916 -22.181 54.880 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -27.963 -24.414 54.512 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -26.996 -25.761 53.868 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -26.693 -25.155 55.513 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -25.446 -22.141 56.877 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -26.159 -23.757 56.661 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -24.468 -23.460 56.191 1.00 0.00 H new ATOM 561 N LEU A 36 -24.336 -24.987 51.552 1.00 0.00 N ATOM 562 CA LEU A 36 -24.241 -25.847 50.380 1.00 0.00 C ATOM 563 C LEU A 36 -22.983 -26.704 50.457 1.00 0.00 C ATOM 564 O LEU A 36 -23.065 -27.931 50.500 1.00 0.00 O ATOM 565 CB LEU A 36 -24.227 -25.006 49.099 1.00 0.00 C ATOM 566 CG LEU A 36 -25.305 -23.920 49.183 1.00 0.00 C ATOM 567 CD1 LEU A 36 -25.174 -22.975 47.986 1.00 0.00 C ATOM 568 CD2 LEU A 36 -26.696 -24.566 49.169 1.00 0.00 C ATOM 0 H LEU A 36 -24.284 -23.988 51.355 1.00 0.00 H new ATOM 0 HA LEU A 36 -25.113 -26.501 50.358 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -23.247 -24.549 48.963 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -24.405 -25.643 48.232 1.00 0.00 H new ATOM 0 HG LEU A 36 -25.176 -23.359 50.109 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -25.941 -22.203 48.046 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -24.189 -22.509 47.996 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -25.299 -23.539 47.062 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -27.458 -23.789 49.229 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -26.825 -25.131 48.246 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -26.794 -25.237 50.022 1.00 0.00 H new ATOM 580 N GLN A 37 -21.820 -26.060 50.498 1.00 0.00 N ATOM 581 CA GLN A 37 -20.572 -26.807 50.594 1.00 0.00 C ATOM 582 C GLN A 37 -20.739 -27.920 51.616 1.00 0.00 C ATOM 583 O GLN A 37 -20.114 -28.978 51.519 1.00 0.00 O ATOM 584 CB GLN A 37 -19.431 -25.880 51.021 1.00 0.00 C ATOM 585 CG GLN A 37 -19.257 -24.765 49.986 1.00 0.00 C ATOM 586 CD GLN A 37 -17.889 -24.881 49.320 1.00 0.00 C ATOM 587 OE1 GLN A 37 -17.304 -25.962 49.286 1.00 0.00 O ATOM 588 NE2 GLN A 37 -17.342 -23.822 48.785 1.00 0.00 N ATOM 0 H GLN A 37 -21.716 -25.046 50.467 1.00 0.00 H new ATOM 0 HA GLN A 37 -20.329 -27.232 49.620 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -19.645 -25.451 52.000 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -18.505 -26.447 51.118 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -20.043 -24.829 49.234 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -19.355 -23.792 50.467 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -17.829 -22.926 48.814 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.428 -23.891 48.338 1.00 0.00 H new ATOM 597 N GLN A 38 -21.607 -27.669 52.590 1.00 0.00 N ATOM 598 CA GLN A 38 -21.879 -28.646 53.634 1.00 0.00 C ATOM 599 C GLN A 38 -22.830 -29.718 53.113 1.00 0.00 C ATOM 600 O GLN A 38 -22.745 -30.881 53.509 1.00 0.00 O ATOM 601 CB GLN A 38 -22.498 -27.951 54.851 1.00 0.00 C ATOM 602 CG GLN A 38 -22.366 -28.848 56.087 1.00 0.00 C ATOM 603 CD GLN A 38 -22.183 -27.988 57.334 1.00 0.00 C ATOM 604 OE1 GLN A 38 -21.716 -28.478 58.363 1.00 0.00 O ATOM 605 NE2 GLN A 38 -22.523 -26.728 57.303 1.00 0.00 N ATOM 0 H GLN A 38 -22.132 -26.799 52.677 1.00 0.00 H new ATOM 0 HA GLN A 38 -20.941 -29.117 53.929 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -22.001 -26.997 55.028 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -23.549 -27.732 54.660 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -23.254 -29.471 56.191 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -21.516 -29.521 55.970 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -22.909 -26.325 56.449 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -22.402 -26.147 58.132 1.00 0.00 H new ATOM 614 N ALA A 39 -23.726 -29.324 52.209 1.00 0.00 N ATOM 615 CA ALA A 39 -24.666 -30.270 51.634 1.00 0.00 C ATOM 616 C ALA A 39 -23.912 -31.231 50.727 1.00 0.00 C ATOM 617 O ALA A 39 -24.252 -32.406 50.630 1.00 0.00 O ATOM 618 CB ALA A 39 -25.745 -29.531 50.836 1.00 0.00 C ATOM 0 H ALA A 39 -23.817 -28.368 51.866 1.00 0.00 H new ATOM 0 HA ALA A 39 -25.153 -30.827 52.434 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -26.442 -30.253 50.411 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -26.284 -28.851 51.496 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -25.278 -28.962 50.032 1.00 0.00 H new ATOM 624 N LEU A 40 -22.870 -30.717 50.078 1.00 0.00 N ATOM 625 CA LEU A 40 -22.051 -31.530 49.189 1.00 0.00 C ATOM 626 C LEU A 40 -21.307 -32.599 49.991 1.00 0.00 C ATOM 627 O LEU A 40 -21.147 -33.733 49.540 1.00 0.00 O ATOM 628 CB LEU A 40 -21.044 -30.633 48.458 1.00 0.00 C ATOM 629 CG LEU A 40 -20.154 -31.468 47.527 1.00 0.00 C ATOM 630 CD1 LEU A 40 -19.097 -32.216 48.343 1.00 0.00 C ATOM 631 CD2 LEU A 40 -21.009 -32.474 46.756 1.00 0.00 C ATOM 0 H LEU A 40 -22.575 -29.743 50.152 1.00 0.00 H new ATOM 0 HA LEU A 40 -22.695 -32.022 48.460 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.575 -29.876 47.880 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -20.426 -30.104 49.184 1.00 0.00 H new ATOM 0 HG LEU A 40 -19.657 -30.800 46.823 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -18.471 -32.806 47.674 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -18.478 -31.498 48.881 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -19.589 -32.878 49.056 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -20.372 -33.064 46.097 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -21.515 -33.136 47.459 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -21.751 -31.941 46.162 1.00 0.00 H new ATOM 643 N LYS A 41 -20.851 -32.223 51.182 1.00 0.00 N ATOM 644 CA LYS A 41 -20.114 -33.145 52.043 1.00 0.00 C ATOM 645 C LYS A 41 -21.023 -34.232 52.631 1.00 0.00 C ATOM 646 O LYS A 41 -20.637 -35.399 52.691 1.00 0.00 O ATOM 647 CB LYS A 41 -19.453 -32.362 53.181 1.00 0.00 C ATOM 648 CG LYS A 41 -18.254 -31.577 52.629 1.00 0.00 C ATOM 649 CD LYS A 41 -16.963 -32.403 52.744 1.00 0.00 C ATOM 650 CE LYS A 41 -15.910 -31.596 53.506 1.00 0.00 C ATOM 651 NZ LYS A 41 -15.378 -30.517 52.625 1.00 0.00 N ATOM 0 H LYS A 41 -20.978 -31.289 51.573 1.00 0.00 H new ATOM 0 HA LYS A 41 -19.358 -33.638 51.432 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.172 -31.679 53.633 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -19.125 -33.045 53.965 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -18.433 -31.316 51.586 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.143 -30.641 53.177 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.163 -33.341 53.262 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.593 -32.660 51.751 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.348 -31.163 54.405 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.099 -32.249 53.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.662 -29.968 53.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.945 -30.941 51.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.155 -29.889 52.338 1.00 0.00 H new ATOM 665 N ASP A 42 -22.218 -33.848 53.077 1.00 0.00 N ATOM 666 CA ASP A 42 -23.145 -34.814 53.671 1.00 0.00 C ATOM 667 C ASP A 42 -24.000 -35.496 52.606 1.00 0.00 C ATOM 668 O ASP A 42 -24.503 -36.600 52.812 1.00 0.00 O ATOM 669 CB ASP A 42 -24.052 -34.113 54.682 1.00 0.00 C ATOM 670 CG ASP A 42 -23.293 -33.887 55.986 1.00 0.00 C ATOM 671 OD1 ASP A 42 -23.315 -34.775 56.821 1.00 0.00 O ATOM 672 OD2 ASP A 42 -22.701 -32.830 56.128 1.00 0.00 O ATOM 0 H ASP A 42 -22.565 -32.890 53.040 1.00 0.00 H new ATOM 0 HA ASP A 42 -22.552 -35.578 54.174 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -24.393 -33.159 54.279 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.940 -34.717 54.867 1.00 0.00 H new ATOM 677 N SER A 43 -24.163 -34.829 51.473 1.00 0.00 N ATOM 678 CA SER A 43 -24.964 -35.369 50.379 1.00 0.00 C ATOM 679 C SER A 43 -24.354 -36.662 49.849 1.00 0.00 C ATOM 680 O SER A 43 -25.067 -37.545 49.370 1.00 0.00 O ATOM 681 CB SER A 43 -25.025 -34.350 49.246 1.00 0.00 C ATOM 682 OG SER A 43 -23.725 -33.824 49.033 1.00 0.00 O ATOM 0 H SER A 43 -23.753 -33.914 51.285 1.00 0.00 H new ATOM 0 HA SER A 43 -25.966 -35.579 50.755 1.00 0.00 H new ATOM 0 HB2 SER A 43 -25.396 -34.820 48.335 1.00 0.00 H new ATOM 0 HB3 SER A 43 -25.720 -33.548 49.496 1.00 0.00 H new ATOM 0 HG SER A 43 -23.065 -34.388 49.488 1.00 0.00 H new ATOM 688 N ASN A 44 -23.034 -36.767 49.940 1.00 0.00 N ATOM 689 CA ASN A 44 -22.337 -37.956 49.469 1.00 0.00 C ATOM 690 C ASN A 44 -22.077 -37.879 47.965 1.00 0.00 C ATOM 691 O ASN A 44 -21.731 -38.878 47.336 1.00 0.00 O ATOM 692 CB ASN A 44 -23.162 -39.205 49.787 1.00 0.00 C ATOM 693 CG ASN A 44 -22.246 -40.324 50.274 1.00 0.00 C ATOM 694 OD1 ASN A 44 -21.513 -40.915 49.481 1.00 0.00 O ATOM 695 ND2 ASN A 44 -22.243 -40.649 51.538 1.00 0.00 N ATOM 0 H ASN A 44 -22.428 -36.047 50.333 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.377 -38.013 49.982 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -23.906 -38.975 50.549 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -23.705 -39.528 48.899 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.632 -41.395 51.871 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -22.852 -40.157 52.192 1.00 0.00 H new ATOM 702 N GLY A 45 -22.234 -36.686 47.393 1.00 0.00 N ATOM 703 CA GLY A 45 -22.000 -36.499 45.963 1.00 0.00 C ATOM 704 C GLY A 45 -23.310 -36.419 45.184 1.00 0.00 C ATOM 705 O GLY A 45 -23.305 -36.341 43.954 1.00 0.00 O ATOM 0 H GLY A 45 -22.519 -35.843 47.892 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.426 -35.586 45.804 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -21.399 -37.324 45.581 1.00 0.00 H new ATOM 709 N ASN A 46 -24.428 -36.424 45.899 1.00 0.00 N ATOM 710 CA ASN A 46 -25.735 -36.333 45.255 1.00 0.00 C ATOM 711 C ASN A 46 -26.261 -34.906 45.360 1.00 0.00 C ATOM 712 O ASN A 46 -26.244 -34.309 46.432 1.00 0.00 O ATOM 713 CB ASN A 46 -26.716 -37.303 45.913 1.00 0.00 C ATOM 714 CG ASN A 46 -26.733 -38.623 45.150 1.00 0.00 C ATOM 715 OD1 ASN A 46 -26.182 -39.620 45.618 1.00 0.00 O ATOM 716 ND2 ASN A 46 -27.333 -38.689 43.993 1.00 0.00 N ATOM 0 H ASN A 46 -24.458 -36.489 46.916 1.00 0.00 H new ATOM 0 HA ASN A 46 -25.633 -36.600 44.203 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -26.429 -37.476 46.950 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -27.716 -36.869 45.927 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -27.346 -39.567 43.475 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -27.789 -37.862 43.607 1.00 0.00 H new ATOM 723 N LEU A 47 -26.698 -34.347 44.239 1.00 0.00 N ATOM 724 CA LEU A 47 -27.189 -32.971 44.239 1.00 0.00 C ATOM 725 C LEU A 47 -28.664 -32.894 44.618 1.00 0.00 C ATOM 726 O LEU A 47 -29.011 -32.293 45.631 1.00 0.00 O ATOM 727 CB LEU A 47 -26.985 -32.338 42.863 1.00 0.00 C ATOM 728 CG LEU A 47 -26.756 -30.835 43.029 1.00 0.00 C ATOM 729 CD1 LEU A 47 -26.340 -30.226 41.689 1.00 0.00 C ATOM 730 CD2 LEU A 47 -28.049 -30.174 43.509 1.00 0.00 C ATOM 0 H LEU A 47 -26.724 -34.813 43.332 1.00 0.00 H new ATOM 0 HA LEU A 47 -26.617 -32.423 44.988 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -26.131 -32.795 42.362 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -27.857 -32.518 42.234 1.00 0.00 H new ATOM 0 HG LEU A 47 -25.966 -30.669 43.762 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -26.178 -29.155 41.811 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -25.418 -30.696 41.346 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -27.127 -30.392 40.954 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -27.888 -29.103 43.628 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -28.838 -30.343 42.776 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -28.344 -30.605 44.466 1.00 0.00 H new ATOM 742 N GLU A 48 -29.527 -33.499 43.802 1.00 0.00 N ATOM 743 CA GLU A 48 -30.963 -33.473 44.065 1.00 0.00 C ATOM 744 C GLU A 48 -31.233 -33.676 45.542 1.00 0.00 C ATOM 745 O GLU A 48 -32.130 -33.058 46.115 1.00 0.00 O ATOM 746 CB GLU A 48 -31.672 -34.571 43.273 1.00 0.00 C ATOM 747 CG GLU A 48 -32.485 -33.936 42.146 1.00 0.00 C ATOM 748 CD GLU A 48 -33.090 -35.021 41.261 1.00 0.00 C ATOM 749 OE1 GLU A 48 -33.883 -35.797 41.766 1.00 0.00 O ATOM 750 OE2 GLU A 48 -32.747 -35.062 40.091 1.00 0.00 O ATOM 0 H GLU A 48 -29.258 -34.009 42.960 1.00 0.00 H new ATOM 0 HA GLU A 48 -31.345 -32.500 43.756 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -30.942 -35.268 42.862 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -32.326 -35.145 43.930 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -33.276 -33.314 42.564 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -31.847 -33.283 41.550 1.00 0.00 H new ATOM 757 N LEU A 49 -30.450 -34.543 46.152 1.00 0.00 N ATOM 758 CA LEU A 49 -30.605 -34.819 47.563 1.00 0.00 C ATOM 759 C LEU A 49 -29.910 -33.728 48.367 1.00 0.00 C ATOM 760 O LEU A 49 -30.310 -33.425 49.491 1.00 0.00 O ATOM 761 CB LEU A 49 -30.055 -36.213 47.878 1.00 0.00 C ATOM 762 CG LEU A 49 -29.052 -36.162 49.029 1.00 0.00 C ATOM 763 CD1 LEU A 49 -28.766 -37.586 49.507 1.00 0.00 C ATOM 764 CD2 LEU A 49 -27.756 -35.526 48.534 1.00 0.00 C ATOM 0 H LEU A 49 -29.704 -35.066 45.694 1.00 0.00 H new ATOM 0 HA LEU A 49 -31.659 -34.815 47.840 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -30.876 -36.881 48.137 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -29.575 -36.627 46.991 1.00 0.00 H new ATOM 0 HG LEU A 49 -29.460 -35.573 49.851 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -28.051 -37.557 50.329 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.692 -38.048 49.848 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -28.351 -38.169 48.685 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -27.035 -35.486 49.351 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -27.347 -36.121 47.718 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -27.959 -34.515 48.180 1.00 0.00 H new ATOM 776 N ALA A 50 -28.894 -33.102 47.768 1.00 0.00 N ATOM 777 CA ALA A 50 -28.209 -32.012 48.444 1.00 0.00 C ATOM 778 C ALA A 50 -29.163 -30.828 48.511 1.00 0.00 C ATOM 779 O ALA A 50 -29.523 -30.370 49.588 1.00 0.00 O ATOM 780 CB ALA A 50 -26.927 -31.605 47.716 1.00 0.00 C ATOM 0 H ALA A 50 -28.538 -33.328 46.839 1.00 0.00 H new ATOM 0 HA ALA A 50 -27.920 -32.340 49.443 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -26.447 -30.788 48.254 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -26.249 -32.457 47.669 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -27.171 -31.279 46.705 1.00 0.00 H new ATOM 786 N VAL A 51 -29.621 -30.365 47.352 1.00 0.00 N ATOM 787 CA VAL A 51 -30.579 -29.276 47.342 1.00 0.00 C ATOM 788 C VAL A 51 -31.608 -29.578 48.399 1.00 0.00 C ATOM 789 O VAL A 51 -32.002 -28.726 49.195 1.00 0.00 O ATOM 790 CB VAL A 51 -31.290 -29.193 45.999 1.00 0.00 C ATOM 791 CG1 VAL A 51 -31.694 -30.586 45.531 1.00 0.00 C ATOM 792 CG2 VAL A 51 -32.542 -28.341 46.163 1.00 0.00 C ATOM 0 H VAL A 51 -29.351 -30.718 46.434 1.00 0.00 H new ATOM 0 HA VAL A 51 -30.064 -28.333 47.525 1.00 0.00 H new ATOM 0 HB VAL A 51 -30.620 -28.751 45.261 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -32.202 -30.514 44.569 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -30.804 -31.207 45.426 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -32.365 -31.035 46.263 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -33.063 -28.272 45.208 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -33.199 -28.798 46.903 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -32.261 -27.342 46.496 1.00 0.00 H new ATOM 802 N ALA A 52 -32.024 -30.829 48.379 1.00 0.00 N ATOM 803 CA ALA A 52 -33.001 -31.329 49.309 1.00 0.00 C ATOM 804 C ALA A 52 -32.476 -31.221 50.742 1.00 0.00 C ATOM 805 O ALA A 52 -33.248 -31.056 51.676 1.00 0.00 O ATOM 806 CB ALA A 52 -33.309 -32.776 48.944 1.00 0.00 C ATOM 0 H ALA A 52 -31.689 -31.525 47.713 1.00 0.00 H new ATOM 0 HA ALA A 52 -33.915 -30.737 49.253 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -34.049 -33.177 49.637 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -33.702 -32.819 47.928 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -32.396 -33.369 49.005 1.00 0.00 H new ATOM 812 N PHE A 53 -31.160 -31.284 50.916 1.00 0.00 N ATOM 813 CA PHE A 53 -30.589 -31.155 52.254 1.00 0.00 C ATOM 814 C PHE A 53 -30.884 -29.758 52.792 1.00 0.00 C ATOM 815 O PHE A 53 -31.005 -29.554 54.001 1.00 0.00 O ATOM 816 CB PHE A 53 -29.073 -31.361 52.225 1.00 0.00 C ATOM 817 CG PHE A 53 -28.686 -32.643 52.917 1.00 0.00 C ATOM 818 CD1 PHE A 53 -29.160 -33.872 52.445 1.00 0.00 C ATOM 819 CD2 PHE A 53 -27.829 -32.601 54.022 1.00 0.00 C ATOM 820 CE1 PHE A 53 -28.779 -35.059 53.081 1.00 0.00 C ATOM 821 CE2 PHE A 53 -27.446 -33.786 54.657 1.00 0.00 C ATOM 822 CZ PHE A 53 -27.921 -35.017 54.188 1.00 0.00 C ATOM 0 H PHE A 53 -30.481 -31.420 50.167 1.00 0.00 H new ATOM 0 HA PHE A 53 -31.036 -31.916 52.894 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -28.726 -31.383 51.192 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -28.579 -30.519 52.710 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -29.820 -33.905 51.590 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -27.463 -31.652 54.385 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -29.146 -36.008 52.718 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -26.784 -33.752 55.509 1.00 0.00 H new ATOM 0 HZ PHE A 53 -27.626 -35.933 54.679 1.00 0.00 H new ATOM 832 N LEU A 54 -30.993 -28.795 51.875 1.00 0.00 N ATOM 833 CA LEU A 54 -31.266 -27.412 52.254 1.00 0.00 C ATOM 834 C LEU A 54 -32.732 -27.249 52.639 1.00 0.00 C ATOM 835 O LEU A 54 -33.050 -26.830 53.752 1.00 0.00 O ATOM 836 CB LEU A 54 -30.941 -26.472 51.085 1.00 0.00 C ATOM 837 CG LEU A 54 -29.429 -26.451 50.816 1.00 0.00 C ATOM 838 CD1 LEU A 54 -28.660 -26.189 52.112 1.00 0.00 C ATOM 839 CD2 LEU A 54 -29.001 -27.795 50.232 1.00 0.00 C ATOM 0 H LEU A 54 -30.897 -28.948 50.871 1.00 0.00 H new ATOM 0 HA LEU A 54 -30.640 -27.158 53.109 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -31.471 -26.798 50.190 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -31.290 -25.465 51.313 1.00 0.00 H new ATOM 0 HG LEU A 54 -29.206 -25.652 50.109 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -27.590 -26.177 51.904 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -28.960 -25.226 52.525 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -28.881 -26.977 52.832 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -27.928 -27.783 50.040 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -29.234 -28.590 50.940 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -29.535 -27.973 49.298 1.00 0.00 H new ATOM 851 N THR A 55 -33.620 -27.590 51.712 1.00 0.00 N ATOM 852 CA THR A 55 -35.052 -27.487 51.964 1.00 0.00 C ATOM 853 C THR A 55 -35.564 -28.794 52.559 1.00 0.00 C ATOM 854 O THR A 55 -36.311 -28.797 53.535 1.00 0.00 O ATOM 855 CB THR A 55 -35.792 -27.182 50.659 1.00 0.00 C ATOM 856 OG1 THR A 55 -37.193 -27.254 50.882 1.00 0.00 O ATOM 857 CG2 THR A 55 -35.388 -28.201 49.592 1.00 0.00 C ATOM 0 H THR A 55 -33.376 -27.938 50.785 1.00 0.00 H new ATOM 0 HA THR A 55 -35.233 -26.677 52.670 1.00 0.00 H new ATOM 0 HB THR A 55 -35.531 -26.180 50.318 1.00 0.00 H new ATOM 0 HG1 THR A 55 -37.668 -27.057 50.047 1.00 0.00 H new ATOM 0 HG21 THR A 55 -35.915 -27.983 48.663 1.00 0.00 H new ATOM 0 HG22 THR A 55 -34.313 -28.142 49.422 1.00 0.00 H new ATOM 0 HG23 THR A 55 -35.648 -29.204 49.930 1.00 0.00 H new ATOM 1533 N ASP A 101 37.541 -6.254 -4.191 1.00 0.00 N ATOM 1534 CA ASP A 101 38.298 -5.176 -3.568 1.00 0.00 C ATOM 1535 C ASP A 101 39.587 -5.719 -2.959 1.00 0.00 C ATOM 1536 O ASP A 101 40.546 -4.978 -2.744 1.00 0.00 O ATOM 1537 CB ASP A 101 37.456 -4.509 -2.479 1.00 0.00 C ATOM 1538 CG ASP A 101 38.002 -3.118 -2.177 1.00 0.00 C ATOM 1539 OD1 ASP A 101 39.160 -3.025 -1.807 1.00 0.00 O ATOM 1540 OD2 ASP A 101 37.254 -2.165 -2.322 1.00 0.00 O ATOM 0 HA ASP A 101 38.549 -4.439 -4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 101 36.418 -4.439 -2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 101 37.468 -5.118 -1.575 1.00 0.00 H new ATOM 1545 N LEU A 102 39.604 -7.020 -2.682 1.00 0.00 N ATOM 1546 CA LEU A 102 40.786 -7.643 -2.101 1.00 0.00 C ATOM 1547 C LEU A 102 41.943 -7.580 -3.071 1.00 0.00 C ATOM 1548 O LEU A 102 43.024 -7.091 -2.740 1.00 0.00 O ATOM 1549 CB LEU A 102 40.494 -9.098 -1.727 1.00 0.00 C ATOM 1550 CG LEU A 102 41.745 -9.730 -1.109 1.00 0.00 C ATOM 1551 CD1 LEU A 102 41.516 -9.961 0.386 1.00 0.00 C ATOM 1552 CD2 LEU A 102 42.032 -11.070 -1.793 1.00 0.00 C ATOM 0 H LEU A 102 38.823 -7.655 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 102 41.054 -7.096 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 102 39.665 -9.143 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 102 40.191 -9.658 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 102 42.594 -9.061 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 102 42.406 -10.411 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 102 41.312 -9.008 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 102 40.666 -10.629 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 102 42.922 -11.520 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 102 41.182 -11.738 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 102 42.196 -10.907 -2.858 1.00 0.00 H new ATOM 1564 N GLN A 103 41.703 -8.052 -4.273 1.00 0.00 N ATOM 1565 CA GLN A 103 42.731 -8.020 -5.296 1.00 0.00 C ATOM 1566 C GLN A 103 43.394 -6.655 -5.266 1.00 0.00 C ATOM 1567 O GLN A 103 44.503 -6.462 -5.769 1.00 0.00 O ATOM 1568 CB GLN A 103 42.103 -8.250 -6.667 1.00 0.00 C ATOM 1569 CG GLN A 103 42.377 -9.684 -7.124 1.00 0.00 C ATOM 1570 CD GLN A 103 43.794 -9.797 -7.675 1.00 0.00 C ATOM 1571 OE1 GLN A 103 44.403 -8.790 -8.036 1.00 0.00 O ATOM 1572 NE2 GLN A 103 44.357 -10.971 -7.763 1.00 0.00 N ATOM 0 H GLN A 103 40.815 -8.459 -4.568 1.00 0.00 H new ATOM 0 HA GLN A 103 43.467 -8.802 -5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 103 41.029 -8.072 -6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 103 42.512 -7.543 -7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 103 42.248 -10.371 -6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 103 41.657 -9.974 -7.889 1.00 0.00 H new ATOM 0 HE21 GLN A 103 43.850 -11.804 -7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 103 45.304 -11.056 -8.132 1.00 0.00 H new ATOM 1581 N ARG A 104 42.693 -5.711 -4.647 1.00 0.00 N ATOM 1582 CA ARG A 104 43.195 -4.350 -4.522 1.00 0.00 C ATOM 1583 C ARG A 104 44.111 -4.246 -3.313 1.00 0.00 C ATOM 1584 O ARG A 104 45.105 -3.523 -3.337 1.00 0.00 O ATOM 1585 CB ARG A 104 42.031 -3.369 -4.370 1.00 0.00 C ATOM 1586 CG ARG A 104 42.429 -2.011 -4.944 1.00 0.00 C ATOM 1587 CD ARG A 104 42.197 -2.013 -6.453 1.00 0.00 C ATOM 1588 NE ARG A 104 40.769 -2.074 -6.744 1.00 0.00 N ATOM 1589 CZ ARG A 104 40.329 -2.269 -7.983 1.00 0.00 C ATOM 1590 NH1 ARG A 104 41.181 -2.394 -8.964 1.00 0.00 N ATOM 1591 NH2 ARG A 104 39.047 -2.329 -8.218 1.00 0.00 N ATOM 0 H ARG A 104 41.777 -5.864 -4.225 1.00 0.00 H new ATOM 0 HA ARG A 104 43.755 -4.099 -5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 104 41.151 -3.750 -4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 104 41.763 -3.267 -3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 104 41.844 -1.220 -4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 104 43.477 -1.804 -4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 104 42.627 -1.115 -6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 104 42.704 -2.865 -6.905 1.00 0.00 H new ATOM 0 HE ARG A 104 40.097 -1.965 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 104 42.183 -2.342 -8.779 1.00 0.00 H new ATOM 0 HH12 ARG A 104 40.845 -2.544 -9.915 1.00 0.00 H new ATOM 0 HH21 ARG A 104 38.383 -2.226 -7.451 1.00 0.00 H new ATOM 0 HH22 ARG A 104 38.709 -2.479 -9.169 1.00 0.00 H new ATOM 1605 N ALA A 105 43.776 -4.983 -2.260 1.00 0.00 N ATOM 1606 CA ALA A 105 44.588 -4.974 -1.051 1.00 0.00 C ATOM 1607 C ALA A 105 45.993 -5.470 -1.376 1.00 0.00 C ATOM 1608 O ALA A 105 46.987 -4.922 -0.895 1.00 0.00 O ATOM 1609 CB ALA A 105 43.955 -5.870 0.014 1.00 0.00 C ATOM 0 H ALA A 105 42.956 -5.588 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 105 44.644 -3.956 -0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.570 -5.856 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 105 42.956 -5.503 0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 105 43.887 -6.890 -0.363 1.00 0.00 H new ATOM 1615 N ILE A 106 46.065 -6.502 -2.213 1.00 0.00 N ATOM 1616 CA ILE A 106 47.353 -7.055 -2.614 1.00 0.00 C ATOM 1617 C ILE A 106 48.096 -6.053 -3.470 1.00 0.00 C ATOM 1618 O ILE A 106 49.307 -5.872 -3.347 1.00 0.00 O ATOM 1619 CB ILE A 106 47.164 -8.353 -3.402 1.00 0.00 C ATOM 1620 CG1 ILE A 106 45.847 -9.024 -3.000 1.00 0.00 C ATOM 1621 CG2 ILE A 106 48.327 -9.300 -3.105 1.00 0.00 C ATOM 1622 CD1 ILE A 106 45.846 -9.286 -1.493 1.00 0.00 C ATOM 0 H ILE A 106 45.255 -6.967 -2.622 1.00 0.00 H new ATOM 0 HA ILE A 106 47.929 -7.271 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 106 47.137 -8.124 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 106 45.005 -8.387 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 106 45.724 -9.961 -3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 106 48.195 -10.226 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 106 49.265 -8.828 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 106 48.352 -9.522 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 106 44.909 -9.763 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 106 46.679 -9.940 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 106 45.949 -8.341 -0.959 1.00 0.00 H new ATOM 1634 N ALA A 107 47.343 -5.407 -4.332 1.00 0.00 N ATOM 1635 CA ALA A 107 47.893 -4.405 -5.228 1.00 0.00 C ATOM 1636 C ALA A 107 48.342 -3.180 -4.437 1.00 0.00 C ATOM 1637 O ALA A 107 49.328 -2.528 -4.785 1.00 0.00 O ATOM 1638 CB ALA A 107 46.843 -3.996 -6.262 1.00 0.00 C ATOM 0 H ALA A 107 46.339 -5.557 -4.434 1.00 0.00 H new ATOM 0 HA ALA A 107 48.755 -4.830 -5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 107 47.264 -3.244 -6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 107 46.543 -4.869 -6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 107 45.973 -3.582 -5.753 1.00 0.00 H new ATOM 1644 N LEU A 108 47.614 -2.881 -3.366 1.00 0.00 N ATOM 1645 CA LEU A 108 47.943 -1.739 -2.525 1.00 0.00 C ATOM 1646 C LEU A 108 49.355 -1.884 -1.973 1.00 0.00 C ATOM 1647 O LEU A 108 50.114 -0.916 -1.918 1.00 0.00 O ATOM 1648 CB LEU A 108 46.945 -1.636 -1.367 1.00 0.00 C ATOM 1649 CG LEU A 108 46.213 -0.293 -1.435 1.00 0.00 C ATOM 1650 CD1 LEU A 108 45.085 -0.271 -0.400 1.00 0.00 C ATOM 1651 CD2 LEU A 108 47.200 0.841 -1.139 1.00 0.00 C ATOM 0 H LEU A 108 46.797 -3.411 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 108 47.887 -0.833 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 108 46.228 -2.455 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 108 47.467 -1.729 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 108 45.792 -0.159 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 108 44.565 0.685 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 108 44.383 -1.078 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 108 45.504 -0.405 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 108 46.680 1.798 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 108 47.621 0.706 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 108 48.002 0.827 -1.877 1.00 0.00 H new ATOM 1663 N SER A 109 49.707 -3.101 -1.569 1.00 0.00 N ATOM 1664 CA SER A 109 51.036 -3.354 -1.031 1.00 0.00 C ATOM 1665 C SER A 109 52.068 -3.327 -2.146 1.00 0.00 C ATOM 1666 O SER A 109 53.102 -2.668 -2.032 1.00 0.00 O ATOM 1667 CB SER A 109 51.072 -4.708 -0.319 1.00 0.00 C ATOM 1668 OG SER A 109 49.828 -4.929 0.333 1.00 0.00 O ATOM 0 H SER A 109 49.097 -3.918 -1.604 1.00 0.00 H new ATOM 0 HA SER A 109 51.273 -2.571 -0.311 1.00 0.00 H new ATOM 0 HB2 SER A 109 51.266 -5.505 -1.037 1.00 0.00 H new ATOM 0 HB3 SER A 109 51.885 -4.729 0.407 1.00 0.00 H new ATOM 0 HG SER A 109 49.847 -5.796 0.789 1.00 0.00 H new ATOM 1674 N LEU A 110 51.776 -4.030 -3.233 1.00 0.00 N ATOM 1675 CA LEU A 110 52.685 -4.052 -4.367 1.00 0.00 C ATOM 1676 C LEU A 110 53.093 -2.627 -4.707 1.00 0.00 C ATOM 1677 O LEU A 110 54.095 -2.391 -5.385 1.00 0.00 O ATOM 1678 CB LEU A 110 51.997 -4.693 -5.572 1.00 0.00 C ATOM 1679 CG LEU A 110 52.915 -5.753 -6.186 1.00 0.00 C ATOM 1680 CD1 LEU A 110 52.764 -7.067 -5.419 1.00 0.00 C ATOM 1681 CD2 LEU A 110 52.529 -5.973 -7.651 1.00 0.00 C ATOM 0 H LEU A 110 50.928 -4.585 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 110 53.570 -4.636 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 110 51.055 -5.147 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 110 51.758 -3.931 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 110 53.950 -5.415 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 110 53.418 -7.821 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 110 53.037 -6.912 -4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 110 51.730 -7.406 -5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 110 53.182 -6.728 -8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 110 51.494 -6.311 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 110 52.636 -5.037 -8.200 1.00 0.00 H new ATOM 1693 N ALA A 111 52.300 -1.678 -4.221 1.00 0.00 N ATOM 1694 CA ALA A 111 52.570 -0.266 -4.464 1.00 0.00 C ATOM 1695 C ALA A 111 53.557 0.267 -3.435 1.00 0.00 C ATOM 1696 O ALA A 111 54.583 0.850 -3.787 1.00 0.00 O ATOM 1697 CB ALA A 111 51.269 0.532 -4.386 1.00 0.00 C ATOM 0 H ALA A 111 51.469 -1.860 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 111 53.002 -0.159 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 111 51.477 1.586 -4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 111 50.571 0.165 -5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 111 50.829 0.415 -3.395 1.00 0.00 H new ATOM 1703 N GLU A 112 53.244 0.058 -2.161 1.00 0.00 N ATOM 1704 CA GLU A 112 54.117 0.517 -1.091 1.00 0.00 C ATOM 1705 C GLU A 112 55.556 0.126 -1.398 1.00 0.00 C ATOM 1706 O GLU A 112 56.502 0.714 -0.874 1.00 0.00 O ATOM 1707 CB GLU A 112 53.686 -0.104 0.238 1.00 0.00 C ATOM 1708 CG GLU A 112 52.698 0.829 0.940 1.00 0.00 C ATOM 1709 CD GLU A 112 53.444 1.744 1.905 1.00 0.00 C ATOM 1710 OE1 GLU A 112 54.134 1.225 2.767 1.00 0.00 O ATOM 1711 OE2 GLU A 112 53.318 2.949 1.765 1.00 0.00 O ATOM 0 H GLU A 112 52.400 -0.422 -1.847 1.00 0.00 H new ATOM 0 HA GLU A 112 54.047 1.602 -1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 112 53.224 -1.076 0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 112 54.556 -0.273 0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 112 52.160 1.425 0.202 1.00 0.00 H new ATOM 0 HG3 GLU A 112 51.954 0.244 1.481 1.00 0.00 H new ATOM 1718 N SER A 113 55.710 -0.870 -2.262 1.00 0.00 N ATOM 1719 CA SER A 113 57.034 -1.333 -2.648 1.00 0.00 C ATOM 1720 C SER A 113 57.548 -0.519 -3.824 1.00 0.00 C ATOM 1721 O SER A 113 58.634 0.059 -3.762 1.00 0.00 O ATOM 1722 CB SER A 113 56.986 -2.814 -3.024 1.00 0.00 C ATOM 1723 OG SER A 113 56.409 -3.550 -1.954 1.00 0.00 O ATOM 0 H SER A 113 54.939 -1.369 -2.705 1.00 0.00 H new ATOM 0 HA SER A 113 57.710 -1.204 -1.803 1.00 0.00 H new ATOM 0 HB2 SER A 113 56.401 -2.952 -3.933 1.00 0.00 H new ATOM 0 HB3 SER A 113 57.991 -3.181 -3.233 1.00 0.00 H new ATOM 0 HG SER A 113 56.375 -4.500 -2.192 1.00 0.00 H new ATOM 1902 N GLU A 125 74.829 14.769 -11.873 1.00 0.00 N ATOM 1903 CA GLU A 125 76.193 15.054 -11.448 1.00 0.00 C ATOM 1904 C GLU A 125 77.185 14.185 -12.218 1.00 0.00 C ATOM 1905 O GLU A 125 78.305 14.610 -12.499 1.00 0.00 O ATOM 1906 CB GLU A 125 76.337 14.800 -9.945 1.00 0.00 C ATOM 1907 CG GLU A 125 76.628 13.321 -9.698 1.00 0.00 C ATOM 1908 CD GLU A 125 78.122 13.056 -9.841 1.00 0.00 C ATOM 1909 OE1 GLU A 125 78.843 13.993 -10.143 1.00 0.00 O ATOM 1910 OE2 GLU A 125 78.524 11.921 -9.647 1.00 0.00 O ATOM 0 HA GLU A 125 76.410 16.102 -11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 125 77.142 15.412 -9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 125 75.423 15.092 -9.428 1.00 0.00 H new ATOM 0 HG2 GLU A 125 76.293 13.037 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 125 76.071 12.708 -10.407 1.00 0.00 H new ATOM 1917 N GLU A 126 76.763 12.971 -12.563 1.00 0.00 N ATOM 1918 CA GLU A 126 77.624 12.061 -13.308 1.00 0.00 C ATOM 1919 C GLU A 126 77.995 12.672 -14.654 1.00 0.00 C ATOM 1920 O GLU A 126 79.083 12.433 -15.181 1.00 0.00 O ATOM 1921 CB GLU A 126 76.909 10.726 -13.530 1.00 0.00 C ATOM 1922 CG GLU A 126 77.907 9.579 -13.361 1.00 0.00 C ATOM 1923 CD GLU A 126 78.166 9.323 -11.881 1.00 0.00 C ATOM 1924 OE1 GLU A 126 78.258 10.288 -11.139 1.00 0.00 O ATOM 1925 OE2 GLU A 126 78.270 8.165 -11.509 1.00 0.00 O ATOM 0 H GLU A 126 75.840 12.599 -12.341 1.00 0.00 H new ATOM 0 HA GLU A 126 78.533 11.890 -12.731 1.00 0.00 H new ATOM 0 HB2 GLU A 126 76.090 10.617 -12.819 1.00 0.00 H new ATOM 0 HB3 GLU A 126 76.471 10.697 -14.528 1.00 0.00 H new ATOM 0 HG2 GLU A 126 77.518 8.676 -13.831 1.00 0.00 H new ATOM 0 HG3 GLU A 126 78.842 9.823 -13.865 1.00 0.00 H new ATOM 1932 N GLN A 127 77.082 13.467 -15.202 1.00 0.00 N ATOM 1933 CA GLN A 127 77.318 14.118 -16.484 1.00 0.00 C ATOM 1934 C GLN A 127 78.320 15.257 -16.327 1.00 0.00 C ATOM 1935 O GLN A 127 79.157 15.487 -17.201 1.00 0.00 O ATOM 1936 CB GLN A 127 76.002 14.666 -17.038 1.00 0.00 C ATOM 1937 CG GLN A 127 76.147 14.936 -18.537 1.00 0.00 C ATOM 1938 CD GLN A 127 75.463 16.248 -18.904 1.00 0.00 C ATOM 1939 OE1 GLN A 127 75.472 17.196 -18.118 1.00 0.00 O ATOM 1940 NE2 GLN A 127 74.866 16.361 -20.060 1.00 0.00 N ATOM 0 H GLN A 127 76.177 13.675 -14.781 1.00 0.00 H new ATOM 0 HA GLN A 127 77.726 13.383 -17.177 1.00 0.00 H new ATOM 0 HB2 GLN A 127 75.197 13.952 -16.863 1.00 0.00 H new ATOM 0 HB3 GLN A 127 75.732 15.585 -16.518 1.00 0.00 H new ATOM 0 HG2 GLN A 127 77.202 14.980 -18.806 1.00 0.00 H new ATOM 0 HG3 GLN A 127 75.707 14.117 -19.106 1.00 0.00 H new ATOM 0 HE21 GLN A 127 74.860 15.575 -20.710 1.00 0.00 H new ATOM 0 HE22 GLN A 127 74.406 17.236 -20.313 1.00 0.00 H new ATOM 1949 N ALA A 128 78.229 15.967 -15.206 1.00 0.00 N ATOM 1950 CA ALA A 128 79.134 17.080 -14.944 1.00 0.00 C ATOM 1951 C ALA A 128 80.570 16.583 -14.820 1.00 0.00 C ATOM 1952 O ALA A 128 81.422 16.905 -15.649 1.00 0.00 O ATOM 1953 CB ALA A 128 78.726 17.794 -13.654 1.00 0.00 C ATOM 0 H ALA A 128 77.544 15.793 -14.471 1.00 0.00 H new ATOM 0 HA ALA A 128 79.073 17.778 -15.779 1.00 0.00 H new ATOM 0 HB1 ALA A 128 79.407 18.624 -13.466 1.00 0.00 H new ATOM 0 HB2 ALA A 128 77.710 18.175 -13.755 1.00 0.00 H new ATOM 0 HB3 ALA A 128 78.770 17.093 -12.821 1.00 0.00 H new ATOM 1959 N ILE A 129 80.833 15.795 -13.781 1.00 0.00 N ATOM 1960 CA ILE A 129 82.170 15.257 -13.562 1.00 0.00 C ATOM 1961 C ILE A 129 82.733 14.686 -14.860 1.00 0.00 C ATOM 1962 O ILE A 129 83.941 14.734 -15.097 1.00 0.00 O ATOM 1963 CB ILE A 129 82.123 14.160 -12.498 1.00 0.00 C ATOM 1964 CG1 ILE A 129 80.961 13.212 -12.801 1.00 0.00 C ATOM 1965 CG2 ILE A 129 81.921 14.790 -11.119 1.00 0.00 C ATOM 1966 CD1 ILE A 129 81.429 11.765 -12.642 1.00 0.00 C ATOM 0 H ILE A 129 80.143 15.517 -13.083 1.00 0.00 H new ATOM 0 HA ILE A 129 82.817 16.065 -13.221 1.00 0.00 H new ATOM 0 HB ILE A 129 83.061 13.605 -12.506 1.00 0.00 H new ATOM 0 HG12 ILE A 129 80.129 13.412 -12.126 1.00 0.00 H new ATOM 0 HG13 ILE A 129 80.597 13.378 -13.815 1.00 0.00 H new ATOM 0 HG21 ILE A 129 81.888 14.006 -10.362 1.00 0.00 H new ATOM 0 HG22 ILE A 129 82.747 15.467 -10.904 1.00 0.00 H new ATOM 0 HG23 ILE A 129 80.984 15.346 -11.107 1.00 0.00 H new ATOM 0 HD11 ILE A 129 80.601 11.089 -12.858 1.00 0.00 H new ATOM 0 HD12 ILE A 129 82.248 11.569 -13.335 1.00 0.00 H new ATOM 0 HD13 ILE A 129 81.772 11.604 -11.620 1.00 0.00 H new ATOM 1978 N SER A 130 81.852 14.145 -15.694 1.00 0.00 N ATOM 1979 CA SER A 130 82.270 13.564 -16.964 1.00 0.00 C ATOM 1980 C SER A 130 82.884 14.630 -17.867 1.00 0.00 C ATOM 1981 O SER A 130 83.853 14.370 -18.579 1.00 0.00 O ATOM 1982 CB SER A 130 81.070 12.926 -17.665 1.00 0.00 C ATOM 1983 OG SER A 130 81.525 12.164 -18.775 1.00 0.00 O ATOM 0 H SER A 130 80.849 14.097 -15.515 1.00 0.00 H new ATOM 0 HA SER A 130 83.021 12.800 -16.763 1.00 0.00 H new ATOM 0 HB2 SER A 130 80.525 12.287 -16.970 1.00 0.00 H new ATOM 0 HB3 SER A 130 80.377 13.698 -17.999 1.00 0.00 H new ATOM 0 HG SER A 130 80.758 11.752 -19.226 1.00 0.00 H new ATOM 1989 N ARG A 131 82.312 15.829 -17.831 1.00 0.00 N ATOM 1990 CA ARG A 131 82.812 16.928 -18.650 1.00 0.00 C ATOM 1991 C ARG A 131 84.213 17.331 -18.202 1.00 0.00 C ATOM 1992 O ARG A 131 85.077 17.633 -19.026 1.00 0.00 O ATOM 1993 CB ARG A 131 81.870 18.128 -18.541 1.00 0.00 C ATOM 1994 CG ARG A 131 82.369 19.262 -19.440 1.00 0.00 C ATOM 1995 CD ARG A 131 81.764 20.586 -18.974 1.00 0.00 C ATOM 1996 NE ARG A 131 82.127 21.660 -19.893 1.00 0.00 N ATOM 1997 CZ ARG A 131 82.356 22.894 -19.455 1.00 0.00 C ATOM 1998 NH1 ARG A 131 82.266 23.163 -18.180 1.00 0.00 N ATOM 1999 NH2 ARG A 131 82.672 23.838 -20.299 1.00 0.00 N ATOM 0 H ARG A 131 81.508 16.064 -17.249 1.00 0.00 H new ATOM 0 HA ARG A 131 82.857 16.597 -19.688 1.00 0.00 H new ATOM 0 HB2 ARG A 131 80.861 17.837 -18.833 1.00 0.00 H new ATOM 0 HB3 ARG A 131 81.817 18.468 -17.507 1.00 0.00 H new ATOM 0 HG2 ARG A 131 83.457 19.315 -19.406 1.00 0.00 H new ATOM 0 HG3 ARG A 131 82.092 19.068 -20.476 1.00 0.00 H new ATOM 0 HD2 ARG A 131 80.679 20.498 -18.917 1.00 0.00 H new ATOM 0 HD3 ARG A 131 82.118 20.822 -17.970 1.00 0.00 H new ATOM 0 HE ARG A 131 82.206 21.460 -20.890 1.00 0.00 H new ATOM 0 HH11 ARG A 131 82.020 22.426 -17.519 1.00 0.00 H new ATOM 0 HH12 ARG A 131 82.442 24.110 -17.845 1.00 0.00 H new ATOM 0 HH21 ARG A 131 82.743 23.629 -21.295 1.00 0.00 H new ATOM 0 HH22 ARG A 131 82.848 24.785 -19.963 1.00 0.00 H new ATOM 2013 N VAL A 132 84.430 17.333 -16.892 1.00 0.00 N ATOM 2014 CA VAL A 132 85.731 17.701 -16.343 1.00 0.00 C ATOM 2015 C VAL A 132 86.825 16.798 -16.902 1.00 0.00 C ATOM 2016 O VAL A 132 87.788 17.273 -17.505 1.00 0.00 O ATOM 2017 CB VAL A 132 85.706 17.586 -14.819 1.00 0.00 C ATOM 2018 CG1 VAL A 132 87.117 17.793 -14.267 1.00 0.00 C ATOM 2019 CG2 VAL A 132 84.774 18.655 -14.243 1.00 0.00 C ATOM 0 H VAL A 132 83.728 17.086 -16.194 1.00 0.00 H new ATOM 0 HA VAL A 132 85.944 18.731 -16.628 1.00 0.00 H new ATOM 0 HB VAL A 132 85.347 16.597 -14.536 1.00 0.00 H new ATOM 0 HG11 VAL A 132 87.098 17.711 -13.180 1.00 0.00 H new ATOM 0 HG12 VAL A 132 87.783 17.034 -14.677 1.00 0.00 H new ATOM 0 HG13 VAL A 132 87.477 18.782 -14.550 1.00 0.00 H new ATOM 0 HG21 VAL A 132 84.755 18.574 -13.156 1.00 0.00 H new ATOM 0 HG22 VAL A 132 85.135 19.644 -14.527 1.00 0.00 H new ATOM 0 HG23 VAL A 132 83.767 18.510 -14.635 1.00 0.00 H new ATOM 2029 N LEU A 133 86.669 15.494 -16.697 1.00 0.00 N ATOM 2030 CA LEU A 133 87.650 14.529 -17.181 1.00 0.00 C ATOM 2031 C LEU A 133 87.989 14.793 -18.646 1.00 0.00 C ATOM 2032 O LEU A 133 89.145 15.038 -18.990 1.00 0.00 O ATOM 2033 CB LEU A 133 87.099 13.109 -17.032 1.00 0.00 C ATOM 2034 CG LEU A 133 87.488 12.549 -15.662 1.00 0.00 C ATOM 2035 CD1 LEU A 133 86.736 13.309 -14.566 1.00 0.00 C ATOM 2036 CD2 LEU A 133 87.120 11.064 -15.597 1.00 0.00 C ATOM 0 H LEU A 133 85.878 15.083 -16.202 1.00 0.00 H new ATOM 0 HA LEU A 133 88.558 14.634 -16.587 1.00 0.00 H new ATOM 0 HB2 LEU A 133 86.014 13.116 -17.139 1.00 0.00 H new ATOM 0 HB3 LEU A 133 87.493 12.470 -17.823 1.00 0.00 H new ATOM 0 HG LEU A 133 88.561 12.666 -15.513 1.00 0.00 H new ATOM 0 HD11 LEU A 133 87.013 12.910 -13.590 1.00 0.00 H new ATOM 0 HD12 LEU A 133 86.996 14.366 -14.613 1.00 0.00 H new ATOM 0 HD13 LEU A 133 85.662 13.193 -14.714 1.00 0.00 H new ATOM 0 HD21 LEU A 133 87.396 10.663 -14.622 1.00 0.00 H new ATOM 0 HD22 LEU A 133 86.046 10.948 -15.746 1.00 0.00 H new ATOM 0 HD23 LEU A 133 87.655 10.522 -16.377 1.00 0.00 H new ATOM 2048 N GLU A 134 86.974 14.735 -19.503 1.00 0.00 N ATOM 2049 CA GLU A 134 87.175 14.963 -20.931 1.00 0.00 C ATOM 2050 C GLU A 134 87.907 16.280 -21.173 1.00 0.00 C ATOM 2051 O GLU A 134 88.978 16.302 -21.780 1.00 0.00 O ATOM 2052 CB GLU A 134 85.826 14.994 -21.653 1.00 0.00 C ATOM 2053 CG GLU A 134 85.124 13.647 -21.479 1.00 0.00 C ATOM 2054 CD GLU A 134 84.027 13.493 -22.528 1.00 0.00 C ATOM 2055 OE1 GLU A 134 83.105 14.292 -22.516 1.00 0.00 O ATOM 2056 OE2 GLU A 134 84.125 12.576 -23.328 1.00 0.00 O ATOM 0 H GLU A 134 86.010 14.534 -19.237 1.00 0.00 H new ATOM 0 HA GLU A 134 87.781 14.146 -21.322 1.00 0.00 H new ATOM 0 HB2 GLU A 134 85.205 15.795 -21.251 1.00 0.00 H new ATOM 0 HB3 GLU A 134 85.973 15.205 -22.712 1.00 0.00 H new ATOM 0 HG2 GLU A 134 85.846 12.836 -21.574 1.00 0.00 H new ATOM 0 HG3 GLU A 134 84.695 13.577 -20.479 1.00 0.00 H new ATOM 2063 N ALA A 135 87.321 17.374 -20.700 1.00 0.00 N ATOM 2064 CA ALA A 135 87.924 18.689 -20.878 1.00 0.00 C ATOM 2065 C ALA A 135 89.380 18.685 -20.422 1.00 0.00 C ATOM 2066 O ALA A 135 90.215 19.402 -20.975 1.00 0.00 O ATOM 2067 CB ALA A 135 87.140 19.736 -20.083 1.00 0.00 C ATOM 0 H ALA A 135 86.435 17.377 -20.194 1.00 0.00 H new ATOM 0 HA ALA A 135 87.892 18.938 -21.939 1.00 0.00 H new ATOM 0 HB1 ALA A 135 87.597 20.716 -20.222 1.00 0.00 H new ATOM 0 HB2 ALA A 135 86.109 19.764 -20.436 1.00 0.00 H new ATOM 0 HB3 ALA A 135 87.155 19.475 -19.025 1.00 0.00 H new ATOM 2073 N SER A 136 89.682 17.878 -19.410 1.00 0.00 N ATOM 2074 CA SER A 136 91.044 17.801 -18.891 1.00 0.00 C ATOM 2075 C SER A 136 91.827 16.687 -19.582 1.00 0.00 C ATOM 2076 O SER A 136 93.026 16.525 -19.353 1.00 0.00 O ATOM 2077 CB SER A 136 91.019 17.550 -17.384 1.00 0.00 C ATOM 2078 OG SER A 136 90.049 16.555 -17.088 1.00 0.00 O ATOM 0 H SER A 136 89.010 17.274 -18.937 1.00 0.00 H new ATOM 0 HA SER A 136 91.538 18.752 -19.092 1.00 0.00 H new ATOM 0 HB2 SER A 136 92.002 17.228 -17.041 1.00 0.00 H new ATOM 0 HB3 SER A 136 90.783 18.473 -16.854 1.00 0.00 H new ATOM 0 HG SER A 136 89.177 16.980 -16.949 1.00 0.00 H new