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 33 THR OG1 : rot 71:sc= 0.933 USER MOD Set 1.2: A 34 GLN : amide:sc= -0.0528 K(o=0.88,f=-4.5!) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 22 ASN : amide:sc= -0.909 K(o=-1.8,f=-3.9!) USER MOD Set 2.3: A 23 GLN : amide:sc= -0.91 K(o=-1.8,f=-3.8!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 28 THR OG1 : rot 180:sc= -2.06! USER MOD Single : A 31 ASN : amide:sc= -4.8! C(o=-4.8!,f=-12!) USER MOD Single : A 37 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.43) USER MOD Single : A 38 GLN : amide:sc= -1.7! C(o=-1.7!,f=-1.9!) USER MOD Single : A 41 LYS NZ :NH3+ 153:sc= -0.212 (180deg=-1.62!) USER MOD Single : A 43 SER OG : rot 166:sc= -2.74! USER MOD Single : A 44 ASN : amide:sc= -7.91! C(o=-7.9!,f=-8.8!) USER MOD Single : A 46 ASN : amide:sc= -4.49! K(o=-4.5!,f=-0.31) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.32) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0817 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 48:sc= 0.953 USER MOD ----------------------------------------------------------------- ATOM 250 N GLN A 17 -9.695 -68.628 34.670 1.00 0.00 N ATOM 251 CA GLN A 17 -9.898 -67.485 35.554 1.00 0.00 C ATOM 252 C GLN A 17 -11.383 -67.256 35.808 1.00 0.00 C ATOM 253 O GLN A 17 -11.794 -66.951 36.928 1.00 0.00 O ATOM 254 CB GLN A 17 -9.294 -66.228 34.927 1.00 0.00 C ATOM 255 CG GLN A 17 -7.876 -66.017 35.458 1.00 0.00 C ATOM 256 CD GLN A 17 -7.366 -64.643 35.038 1.00 0.00 C ATOM 257 OE1 GLN A 17 -8.014 -63.954 34.250 1.00 0.00 O ATOM 258 NE2 GLN A 17 -6.235 -64.201 35.518 1.00 0.00 N ATOM 0 HA GLN A 17 -9.406 -67.696 36.503 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.275 -66.325 33.841 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.912 -65.361 35.159 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.869 -66.101 36.545 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.215 -66.794 35.074 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.700 -64.773 36.171 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.887 -63.283 35.240 1.00 0.00 H new ATOM 267 N GLN A 18 -12.183 -67.397 34.757 1.00 0.00 N ATOM 268 CA GLN A 18 -13.622 -67.194 34.868 1.00 0.00 C ATOM 269 C GLN A 18 -14.239 -68.166 35.871 1.00 0.00 C ATOM 270 O GLN A 18 -15.082 -67.778 36.679 1.00 0.00 O ATOM 271 CB GLN A 18 -14.279 -67.384 33.500 1.00 0.00 C ATOM 272 CG GLN A 18 -13.797 -66.288 32.545 1.00 0.00 C ATOM 273 CD GLN A 18 -14.885 -65.234 32.367 1.00 0.00 C ATOM 274 OE1 GLN A 18 -15.163 -64.465 33.288 1.00 0.00 O ATOM 275 NE2 GLN A 18 -15.520 -65.151 31.230 1.00 0.00 N ATOM 0 H GLN A 18 -11.861 -67.650 33.823 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.795 -66.178 35.222 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.030 -68.366 33.098 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.364 -67.345 33.597 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.892 -65.825 32.937 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.540 -66.723 31.579 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.288 -65.789 30.469 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.248 -64.448 31.103 1.00 0.00 H new ATOM 284 N THR A 19 -13.823 -69.426 35.813 1.00 0.00 N ATOM 285 CA THR A 19 -14.361 -70.432 36.725 1.00 0.00 C ATOM 286 C THR A 19 -13.674 -70.358 38.078 1.00 0.00 C ATOM 287 O THR A 19 -14.314 -70.459 39.125 1.00 0.00 O ATOM 288 CB THR A 19 -14.196 -71.834 36.119 1.00 0.00 C ATOM 289 OG1 THR A 19 -15.404 -72.561 36.284 1.00 0.00 O ATOM 290 CG2 THR A 19 -13.052 -72.590 36.808 1.00 0.00 C ATOM 0 H THR A 19 -13.125 -69.773 35.155 1.00 0.00 H new ATOM 0 HA THR A 19 -15.422 -70.232 36.872 1.00 0.00 H new ATOM 0 HB THR A 19 -13.961 -71.732 35.060 1.00 0.00 H new ATOM 0 HG1 THR A 19 -15.303 -73.456 35.897 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.951 -73.581 36.364 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.121 -72.038 36.678 1.00 0.00 H new ATOM 0 HG23 THR A 19 -13.270 -72.689 37.871 1.00 0.00 H new ATOM 298 N PHE A 20 -12.371 -70.184 38.041 1.00 0.00 N ATOM 299 CA PHE A 20 -11.584 -70.100 39.263 1.00 0.00 C ATOM 300 C PHE A 20 -12.101 -68.978 40.157 1.00 0.00 C ATOM 301 O PHE A 20 -12.465 -69.203 41.313 1.00 0.00 O ATOM 302 CB PHE A 20 -10.116 -69.843 38.921 1.00 0.00 C ATOM 303 CG PHE A 20 -9.293 -69.924 40.181 1.00 0.00 C ATOM 304 CD1 PHE A 20 -9.275 -68.846 41.074 1.00 0.00 C ATOM 305 CD2 PHE A 20 -8.552 -71.078 40.460 1.00 0.00 C ATOM 306 CE1 PHE A 20 -8.517 -68.922 42.246 1.00 0.00 C ATOM 307 CE2 PHE A 20 -7.793 -71.154 41.633 1.00 0.00 C ATOM 308 CZ PHE A 20 -7.776 -70.076 42.525 1.00 0.00 C ATOM 0 H PHE A 20 -11.829 -70.097 37.181 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.674 -71.046 39.796 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.765 -70.577 38.195 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.004 -68.861 38.461 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.847 -67.956 40.857 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.566 -71.909 39.771 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.503 -68.091 42.936 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.221 -72.044 41.850 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.190 -70.135 43.430 1.00 0.00 H new ATOM 318 N LEU A 21 -12.133 -67.772 39.608 1.00 0.00 N ATOM 319 CA LEU A 21 -12.608 -66.615 40.355 1.00 0.00 C ATOM 320 C LEU A 21 -14.084 -66.781 40.695 1.00 0.00 C ATOM 321 O LEU A 21 -14.519 -66.447 41.798 1.00 0.00 O ATOM 322 CB LEU A 21 -12.403 -65.337 39.535 1.00 0.00 C ATOM 323 CG LEU A 21 -10.935 -65.223 39.109 1.00 0.00 C ATOM 324 CD1 LEU A 21 -10.791 -64.102 38.074 1.00 0.00 C ATOM 325 CD2 LEU A 21 -10.066 -64.898 40.328 1.00 0.00 C ATOM 0 H LEU A 21 -11.837 -67.569 38.653 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.037 -66.538 41.280 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.046 -65.351 38.655 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.689 -64.466 40.125 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.612 -66.169 38.675 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.748 -64.019 37.770 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.406 -64.330 37.203 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.117 -63.159 38.512 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.023 -64.818 40.021 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.389 -63.953 40.764 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.166 -65.692 41.068 1.00 0.00 H new ATOM 337 N ASN A 22 -14.852 -67.310 39.746 1.00 0.00 N ATOM 338 CA ASN A 22 -16.276 -67.526 39.968 1.00 0.00 C ATOM 339 C ASN A 22 -16.476 -68.402 41.197 1.00 0.00 C ATOM 340 O ASN A 22 -17.370 -68.162 42.009 1.00 0.00 O ATOM 341 CB ASN A 22 -16.902 -68.201 38.746 1.00 0.00 C ATOM 342 CG ASN A 22 -18.343 -68.600 39.049 1.00 0.00 C ATOM 343 OD1 ASN A 22 -18.583 -69.492 39.863 1.00 0.00 O ATOM 344 ND2 ASN A 22 -19.321 -67.990 38.438 1.00 0.00 N ATOM 0 H ASN A 22 -14.516 -67.594 38.826 1.00 0.00 H new ATOM 0 HA ASN A 22 -16.760 -66.563 40.128 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.876 -67.523 37.893 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.323 -69.082 38.471 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -20.287 -68.252 38.634 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -19.120 -67.251 37.764 1.00 0.00 H new ATOM 351 N GLN A 23 -15.628 -69.416 41.330 1.00 0.00 N ATOM 352 CA GLN A 23 -15.709 -70.323 42.472 1.00 0.00 C ATOM 353 C GLN A 23 -15.594 -69.537 43.773 1.00 0.00 C ATOM 354 O GLN A 23 -16.384 -69.730 44.698 1.00 0.00 O ATOM 355 CB GLN A 23 -14.589 -71.367 42.408 1.00 0.00 C ATOM 356 CG GLN A 23 -15.167 -72.717 41.980 1.00 0.00 C ATOM 357 CD GLN A 23 -15.640 -72.650 40.532 1.00 0.00 C ATOM 358 OE1 GLN A 23 -16.630 -71.981 40.232 1.00 0.00 O ATOM 359 NE2 GLN A 23 -14.991 -73.310 39.612 1.00 0.00 N ATOM 0 H GLN A 23 -14.882 -69.631 40.668 1.00 0.00 H new ATOM 0 HA GLN A 23 -16.672 -70.832 42.439 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.822 -71.049 41.702 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.108 -71.459 43.382 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.412 -73.495 42.088 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -15.999 -72.988 42.630 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -14.172 -73.863 39.863 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -15.303 -73.273 38.642 1.00 0.00 H new ATOM 368 N LEU A 24 -14.605 -68.649 43.836 1.00 0.00 N ATOM 369 CA LEU A 24 -14.396 -67.837 45.031 1.00 0.00 C ATOM 370 C LEU A 24 -15.694 -67.154 45.451 1.00 0.00 C ATOM 371 O LEU A 24 -16.139 -67.279 46.589 1.00 0.00 O ATOM 372 CB LEU A 24 -13.330 -66.774 44.768 1.00 0.00 C ATOM 373 CG LEU A 24 -11.940 -67.382 44.954 1.00 0.00 C ATOM 374 CD1 LEU A 24 -10.904 -66.519 44.229 1.00 0.00 C ATOM 375 CD2 LEU A 24 -11.599 -67.437 46.448 1.00 0.00 C ATOM 0 H LEU A 24 -13.942 -68.474 43.081 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.064 -68.495 45.833 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.434 -66.383 43.756 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.464 -65.934 45.449 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.929 -68.391 44.541 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.913 -66.952 44.361 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.143 -66.479 43.166 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.917 -65.510 44.642 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.608 -67.871 46.579 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.611 -66.429 46.861 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.335 -68.051 46.967 1.00 0.00 H new ATOM 387 N ARG A 25 -16.307 -66.442 44.521 1.00 0.00 N ATOM 388 CA ARG A 25 -17.556 -65.758 44.801 1.00 0.00 C ATOM 389 C ARG A 25 -18.609 -66.770 45.214 1.00 0.00 C ATOM 390 O ARG A 25 -19.657 -66.417 45.753 1.00 0.00 O ATOM 391 CB ARG A 25 -18.028 -64.996 43.559 1.00 0.00 C ATOM 392 CG ARG A 25 -19.241 -64.135 43.916 1.00 0.00 C ATOM 393 CD ARG A 25 -20.518 -64.763 43.347 1.00 0.00 C ATOM 394 NE ARG A 25 -20.403 -66.218 43.312 1.00 0.00 N ATOM 395 CZ ARG A 25 -20.502 -66.899 42.171 1.00 0.00 C ATOM 396 NH1 ARG A 25 -20.702 -66.275 41.040 1.00 0.00 N ATOM 397 NH2 ARG A 25 -20.397 -68.199 42.182 1.00 0.00 N ATOM 0 H ARG A 25 -15.961 -66.323 43.569 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.399 -65.047 45.613 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.223 -64.368 43.177 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -18.288 -65.698 42.766 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -19.324 -64.041 44.999 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -19.112 -63.129 43.517 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -21.374 -64.475 43.957 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -20.700 -64.383 42.342 1.00 0.00 H new ATOM 0 HE ARG A 25 -20.243 -66.726 44.182 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -20.784 -65.258 41.026 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -20.776 -66.805 40.172 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -20.240 -68.691 43.062 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -20.472 -68.724 41.311 1.00 0.00 H new ATOM 411 N GLU A 26 -18.331 -68.032 44.918 1.00 0.00 N ATOM 412 CA GLU A 26 -19.273 -69.100 45.222 1.00 0.00 C ATOM 413 C GLU A 26 -19.198 -69.579 46.678 1.00 0.00 C ATOM 414 O GLU A 26 -20.211 -69.585 47.377 1.00 0.00 O ATOM 415 CB GLU A 26 -19.030 -70.286 44.288 1.00 0.00 C ATOM 416 CG GLU A 26 -20.347 -71.029 44.056 1.00 0.00 C ATOM 417 CD GLU A 26 -20.120 -72.211 43.118 1.00 0.00 C ATOM 418 OE1 GLU A 26 -19.363 -73.095 43.485 1.00 0.00 O ATOM 419 OE2 GLU A 26 -20.708 -72.215 42.050 1.00 0.00 O ATOM 0 H GLU A 26 -17.467 -68.340 44.471 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.270 -68.687 45.071 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.624 -69.938 43.338 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.291 -70.960 44.722 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.748 -71.380 45.007 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.086 -70.351 43.629 1.00 0.00 H new ATOM 426 N ILE A 27 -18.022 -70.027 47.122 1.00 0.00 N ATOM 427 CA ILE A 27 -17.897 -70.553 48.486 1.00 0.00 C ATOM 428 C ILE A 27 -17.816 -69.471 49.546 1.00 0.00 C ATOM 429 O ILE A 27 -18.471 -69.569 50.584 1.00 0.00 O ATOM 430 CB ILE A 27 -16.682 -71.488 48.611 1.00 0.00 C ATOM 431 CG1 ILE A 27 -15.377 -70.722 48.855 1.00 0.00 C ATOM 432 CG2 ILE A 27 -16.523 -72.260 47.326 1.00 0.00 C ATOM 433 CD1 ILE A 27 -14.964 -69.983 47.578 1.00 0.00 C ATOM 0 H ILE A 27 -17.162 -70.038 46.574 1.00 0.00 H new ATOM 0 HA ILE A 27 -18.814 -71.114 48.667 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.866 -72.143 49.463 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -15.508 -70.012 49.671 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.590 -71.413 49.157 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.664 -72.926 47.405 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.422 -72.848 47.141 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.368 -71.565 46.501 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -14.036 -69.440 47.756 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.815 -70.703 46.773 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.747 -69.280 47.295 1.00 0.00 H new ATOM 445 N THR A 28 -16.989 -68.469 49.325 1.00 0.00 N ATOM 446 CA THR A 28 -16.836 -67.442 50.327 1.00 0.00 C ATOM 447 C THR A 28 -17.794 -66.272 50.088 1.00 0.00 C ATOM 448 O THR A 28 -17.881 -65.348 50.898 1.00 0.00 O ATOM 449 CB THR A 28 -15.378 -66.999 50.390 1.00 0.00 C ATOM 450 OG1 THR A 28 -15.249 -65.869 51.240 1.00 0.00 O ATOM 451 CG2 THR A 28 -14.869 -66.672 48.989 1.00 0.00 C ATOM 0 H THR A 28 -16.427 -68.347 48.482 1.00 0.00 H new ATOM 0 HA THR A 28 -17.105 -67.854 51.299 1.00 0.00 H new ATOM 0 HB THR A 28 -14.777 -67.812 50.798 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.310 -65.592 51.276 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.827 -66.357 49.045 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.947 -67.557 48.358 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.469 -65.868 48.562 1.00 0.00 H new ATOM 459 N GLY A 29 -18.545 -66.352 48.992 1.00 0.00 N ATOM 460 CA GLY A 29 -19.544 -65.333 48.661 1.00 0.00 C ATOM 461 C GLY A 29 -18.950 -63.946 48.419 1.00 0.00 C ATOM 462 O GLY A 29 -19.666 -63.034 48.005 1.00 0.00 O ATOM 0 H GLY A 29 -18.482 -67.113 48.315 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.088 -65.646 47.770 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.270 -65.271 49.472 1.00 0.00 H new ATOM 466 N ILE A 30 -17.662 -63.769 48.677 1.00 0.00 N ATOM 467 CA ILE A 30 -17.047 -62.461 48.468 1.00 0.00 C ATOM 468 C ILE A 30 -17.194 -62.034 47.012 1.00 0.00 C ATOM 469 O ILE A 30 -16.415 -62.443 46.150 1.00 0.00 O ATOM 470 CB ILE A 30 -15.572 -62.500 48.856 1.00 0.00 C ATOM 471 CG1 ILE A 30 -15.449 -63.076 50.264 1.00 0.00 C ATOM 472 CG2 ILE A 30 -14.999 -61.082 48.834 1.00 0.00 C ATOM 473 CD1 ILE A 30 -16.271 -62.232 51.238 1.00 0.00 C ATOM 0 H ILE A 30 -17.033 -64.494 49.023 1.00 0.00 H new ATOM 0 HA ILE A 30 -17.556 -61.734 49.100 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.020 -63.121 48.150 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.799 -64.108 50.277 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.404 -63.090 50.572 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.945 -61.111 49.111 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.099 -60.665 47.832 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -15.544 -60.458 49.543 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.182 -62.645 52.243 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.901 -61.207 51.233 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -17.318 -62.241 50.934 1.00 0.00 H new ATOM 485 N ASN A 31 -18.207 -61.215 46.747 1.00 0.00 N ATOM 486 CA ASN A 31 -18.464 -60.741 45.392 1.00 0.00 C ATOM 487 C ASN A 31 -17.587 -59.540 45.054 1.00 0.00 C ATOM 488 O ASN A 31 -18.019 -58.625 44.354 1.00 0.00 O ATOM 489 CB ASN A 31 -19.938 -60.357 45.246 1.00 0.00 C ATOM 490 CG ASN A 31 -20.812 -61.347 46.008 1.00 0.00 C ATOM 491 OD1 ASN A 31 -20.529 -62.544 46.021 1.00 0.00 O ATOM 492 ND2 ASN A 31 -21.867 -60.918 46.647 1.00 0.00 N ATOM 0 H ASN A 31 -18.860 -60.867 47.449 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.224 -61.548 44.700 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -20.099 -59.349 45.627 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -20.218 -60.348 44.192 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -22.457 -61.576 47.157 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -22.101 -59.925 46.636 1.00 0.00 H new ATOM 499 N ASP A 32 -16.354 -59.552 45.545 1.00 0.00 N ATOM 500 CA ASP A 32 -15.430 -58.459 45.273 1.00 0.00 C ATOM 501 C ASP A 32 -14.365 -58.908 44.280 1.00 0.00 C ATOM 502 O ASP A 32 -13.280 -59.340 44.669 1.00 0.00 O ATOM 503 CB ASP A 32 -14.763 -58.001 46.568 1.00 0.00 C ATOM 504 CG ASP A 32 -15.564 -56.867 47.196 1.00 0.00 C ATOM 505 OD1 ASP A 32 -16.778 -56.886 47.075 1.00 0.00 O ATOM 506 OD2 ASP A 32 -14.952 -55.994 47.791 1.00 0.00 O ATOM 0 H ASP A 32 -15.974 -60.298 46.127 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.990 -57.627 44.845 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.692 -58.836 47.265 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.745 -57.669 46.364 1.00 0.00 H new ATOM 511 N THR A 33 -14.686 -58.805 42.995 1.00 0.00 N ATOM 512 CA THR A 33 -13.758 -59.209 41.944 1.00 0.00 C ATOM 513 C THR A 33 -12.347 -58.719 42.243 1.00 0.00 C ATOM 514 O THR A 33 -11.369 -59.413 41.963 1.00 0.00 O ATOM 515 CB THR A 33 -14.221 -58.642 40.601 1.00 0.00 C ATOM 516 OG1 THR A 33 -14.203 -57.222 40.655 1.00 0.00 O ATOM 517 CG2 THR A 33 -15.642 -59.126 40.307 1.00 0.00 C ATOM 0 H THR A 33 -15.579 -58.446 42.656 1.00 0.00 H new ATOM 0 HA THR A 33 -13.744 -60.298 41.901 1.00 0.00 H new ATOM 0 HB THR A 33 -13.551 -58.983 39.811 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.275 -56.907 40.677 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.973 -58.723 39.350 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.654 -60.215 40.265 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.313 -58.786 41.096 1.00 0.00 H new ATOM 525 N GLN A 34 -12.248 -57.524 42.808 1.00 0.00 N ATOM 526 CA GLN A 34 -10.953 -56.953 43.135 1.00 0.00 C ATOM 527 C GLN A 34 -10.183 -57.871 44.074 1.00 0.00 C ATOM 528 O GLN A 34 -9.001 -58.145 43.860 1.00 0.00 O ATOM 529 CB GLN A 34 -11.147 -55.589 43.795 1.00 0.00 C ATOM 530 CG GLN A 34 -11.189 -54.506 42.717 1.00 0.00 C ATOM 531 CD GLN A 34 -12.467 -54.633 41.896 1.00 0.00 C ATOM 532 OE1 GLN A 34 -12.548 -55.468 40.995 1.00 0.00 O ATOM 533 NE2 GLN A 34 -13.478 -53.847 42.154 1.00 0.00 N ATOM 0 H GLN A 34 -13.046 -56.935 43.048 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.380 -56.838 42.215 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -12.072 -55.580 44.372 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.334 -55.391 44.493 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.141 -53.520 43.179 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.319 -54.596 42.066 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.409 -53.156 42.901 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.336 -53.925 41.609 1.00 0.00 H new ATOM 542 N ILE A 35 -10.855 -58.342 45.118 1.00 0.00 N ATOM 543 CA ILE A 35 -10.214 -59.222 46.082 1.00 0.00 C ATOM 544 C ILE A 35 -10.062 -60.629 45.509 1.00 0.00 C ATOM 545 O ILE A 35 -9.092 -61.326 45.807 1.00 0.00 O ATOM 546 CB ILE A 35 -11.024 -59.269 47.380 1.00 0.00 C ATOM 547 CG1 ILE A 35 -10.644 -58.074 48.261 1.00 0.00 C ATOM 548 CG2 ILE A 35 -10.710 -60.567 48.130 1.00 0.00 C ATOM 549 CD1 ILE A 35 -11.203 -56.782 47.660 1.00 0.00 C ATOM 0 H ILE A 35 -11.833 -58.131 45.316 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.222 -58.826 46.299 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.088 -59.229 47.145 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.035 -58.215 49.268 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.560 -58.005 48.347 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -11.286 -60.602 49.055 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.974 -61.421 47.506 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.646 -60.604 48.364 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.928 -55.938 48.292 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.790 -56.637 46.662 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.289 -56.850 47.597 1.00 0.00 H new ATOM 561 N LEU A 36 -11.017 -61.038 44.679 1.00 0.00 N ATOM 562 CA LEU A 36 -10.960 -62.362 44.067 1.00 0.00 C ATOM 563 C LEU A 36 -9.763 -62.451 43.127 1.00 0.00 C ATOM 564 O LEU A 36 -8.846 -63.242 43.347 1.00 0.00 O ATOM 565 CB LEU A 36 -12.246 -62.643 43.280 1.00 0.00 C ATOM 566 CG LEU A 36 -13.477 -62.472 44.179 1.00 0.00 C ATOM 567 CD1 LEU A 36 -14.630 -63.318 43.632 1.00 0.00 C ATOM 568 CD2 LEU A 36 -13.154 -62.932 45.601 1.00 0.00 C ATOM 0 H LEU A 36 -11.830 -60.480 44.417 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.857 -63.104 44.859 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.313 -61.965 42.429 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.220 -63.656 42.879 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.761 -61.420 44.194 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.505 -63.197 44.271 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.871 -62.993 42.620 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.335 -64.367 43.616 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.034 -62.807 46.232 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.864 -63.983 45.587 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.334 -62.335 45.999 1.00 0.00 H new ATOM 580 N GLN A 37 -9.778 -61.628 42.084 1.00 0.00 N ATOM 581 CA GLN A 37 -8.686 -61.617 41.120 1.00 0.00 C ATOM 582 C GLN A 37 -7.350 -61.479 41.843 1.00 0.00 C ATOM 583 O GLN A 37 -6.320 -61.946 41.359 1.00 0.00 O ATOM 584 CB GLN A 37 -8.865 -60.460 40.136 1.00 0.00 C ATOM 585 CG GLN A 37 -8.479 -59.150 40.817 1.00 0.00 C ATOM 586 CD GLN A 37 -9.138 -57.975 40.101 1.00 0.00 C ATOM 587 OE1 GLN A 37 -10.351 -57.977 39.892 1.00 0.00 O ATOM 588 NE2 GLN A 37 -8.408 -56.967 39.711 1.00 0.00 N ATOM 0 H GLN A 37 -10.528 -60.965 41.886 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.696 -62.557 40.569 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.246 -60.620 39.253 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.899 -60.415 39.796 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.788 -59.169 41.862 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.396 -59.031 40.807 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.403 -56.968 39.885 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.842 -56.178 39.232 1.00 0.00 H new ATOM 597 N GLN A 38 -7.378 -60.839 43.009 1.00 0.00 N ATOM 598 CA GLN A 38 -6.165 -60.654 43.797 1.00 0.00 C ATOM 599 C GLN A 38 -5.818 -61.942 44.536 1.00 0.00 C ATOM 600 O GLN A 38 -4.651 -62.318 44.635 1.00 0.00 O ATOM 601 CB GLN A 38 -6.358 -59.519 44.806 1.00 0.00 C ATOM 602 CG GLN A 38 -5.139 -59.441 45.728 1.00 0.00 C ATOM 603 CD GLN A 38 -5.367 -60.304 46.966 1.00 0.00 C ATOM 604 OE1 GLN A 38 -6.393 -60.172 47.634 1.00 0.00 O ATOM 605 NE2 GLN A 38 -4.467 -61.182 47.312 1.00 0.00 N ATOM 0 H GLN A 38 -8.221 -60.443 43.426 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.348 -60.397 43.122 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.492 -58.572 44.283 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.261 -59.690 45.393 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.249 -59.779 45.197 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.961 -58.407 46.023 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.618 -61.289 46.756 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.612 -61.762 48.138 1.00 0.00 H new ATOM 614 N ALA A 39 -6.844 -62.621 45.044 1.00 0.00 N ATOM 615 CA ALA A 39 -6.638 -63.872 45.760 1.00 0.00 C ATOM 616 C ALA A 39 -5.943 -64.883 44.856 1.00 0.00 C ATOM 617 O ALA A 39 -5.057 -65.616 45.293 1.00 0.00 O ATOM 618 CB ALA A 39 -7.982 -64.425 46.232 1.00 0.00 C ATOM 0 H ALA A 39 -7.818 -62.327 44.973 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.006 -63.686 46.628 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.823 -65.361 46.767 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.459 -63.704 46.896 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.624 -64.605 45.370 1.00 0.00 H new ATOM 624 N LEU A 40 -6.345 -64.902 43.590 1.00 0.00 N ATOM 625 CA LEU A 40 -5.753 -65.812 42.617 1.00 0.00 C ATOM 626 C LEU A 40 -4.301 -65.417 42.346 1.00 0.00 C ATOM 627 O LEU A 40 -3.414 -66.268 42.277 1.00 0.00 O ATOM 628 CB LEU A 40 -6.564 -65.757 41.315 1.00 0.00 C ATOM 629 CG LEU A 40 -5.885 -66.588 40.220 1.00 0.00 C ATOM 630 CD1 LEU A 40 -4.643 -65.854 39.707 1.00 0.00 C ATOM 631 CD2 LEU A 40 -5.485 -67.958 40.779 1.00 0.00 C ATOM 0 H LEU A 40 -7.077 -64.299 43.214 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.770 -66.827 43.013 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.572 -66.133 41.492 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.663 -64.723 40.985 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.583 -66.730 39.395 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.164 -66.449 38.929 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.935 -64.887 39.297 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.944 -65.703 40.530 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.003 -68.544 39.996 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.793 -67.824 41.610 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.374 -68.482 41.129 1.00 0.00 H new ATOM 643 N LYS A 41 -4.068 -64.118 42.201 1.00 0.00 N ATOM 644 CA LYS A 41 -2.729 -63.612 41.940 1.00 0.00 C ATOM 645 C LYS A 41 -1.725 -64.235 42.900 1.00 0.00 C ATOM 646 O LYS A 41 -0.607 -64.573 42.510 1.00 0.00 O ATOM 647 CB LYS A 41 -2.711 -62.088 42.093 1.00 0.00 C ATOM 648 CG LYS A 41 -2.128 -61.449 40.831 1.00 0.00 C ATOM 649 CD LYS A 41 -3.049 -61.730 39.642 1.00 0.00 C ATOM 650 CE LYS A 41 -3.332 -60.425 38.897 1.00 0.00 C ATOM 651 NZ LYS A 41 -2.056 -59.682 38.693 1.00 0.00 N ATOM 0 H LYS A 41 -4.788 -63.398 42.260 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.450 -63.879 40.921 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.722 -61.718 42.266 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.116 -61.807 42.962 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.018 -60.374 40.973 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.133 -61.848 40.635 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.583 -62.451 38.970 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.983 -62.173 39.988 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.800 -60.637 37.935 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.034 -59.814 39.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.135 -59.081 37.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.864 -59.087 39.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.277 -60.359 38.565 1.00 0.00 H new ATOM 665 N ASP A 42 -2.123 -64.380 44.160 1.00 0.00 N ATOM 666 CA ASP A 42 -1.235 -64.959 45.156 1.00 0.00 C ATOM 667 C ASP A 42 -1.351 -66.482 45.180 1.00 0.00 C ATOM 668 O ASP A 42 -0.351 -67.186 45.317 1.00 0.00 O ATOM 669 CB ASP A 42 -1.559 -64.396 46.540 1.00 0.00 C ATOM 670 CG ASP A 42 -0.274 -64.224 47.344 1.00 0.00 C ATOM 671 OD1 ASP A 42 0.609 -65.052 47.195 1.00 0.00 O ATOM 672 OD2 ASP A 42 -0.194 -63.267 48.097 1.00 0.00 O ATOM 0 H ASP A 42 -3.042 -64.108 44.510 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.212 -64.696 44.887 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.068 -63.437 46.442 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.240 -65.066 47.065 1.00 0.00 H new ATOM 677 N SER A 43 -2.577 -66.980 45.053 1.00 0.00 N ATOM 678 CA SER A 43 -2.814 -68.421 45.073 1.00 0.00 C ATOM 679 C SER A 43 -2.141 -69.106 43.888 1.00 0.00 C ATOM 680 O SER A 43 -1.834 -70.297 43.942 1.00 0.00 O ATOM 681 CB SER A 43 -4.314 -68.698 45.023 1.00 0.00 C ATOM 682 OG SER A 43 -4.593 -69.540 43.913 1.00 0.00 O ATOM 0 H SER A 43 -3.417 -66.413 44.936 1.00 0.00 H new ATOM 0 HA SER A 43 -2.389 -68.819 45.994 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.640 -69.174 45.948 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.867 -67.763 44.934 1.00 0.00 H new ATOM 0 HG SER A 43 -5.500 -69.902 43.997 1.00 0.00 H new ATOM 688 N ASN A 44 -1.914 -68.349 42.825 1.00 0.00 N ATOM 689 CA ASN A 44 -1.271 -68.891 41.631 1.00 0.00 C ATOM 690 C ASN A 44 -1.943 -70.184 41.169 1.00 0.00 C ATOM 691 O ASN A 44 -1.267 -71.133 40.774 1.00 0.00 O ATOM 692 CB ASN A 44 0.214 -69.151 41.908 1.00 0.00 C ATOM 693 CG ASN A 44 0.397 -70.479 42.637 1.00 0.00 C ATOM 694 OD1 ASN A 44 0.358 -70.525 43.867 1.00 0.00 O ATOM 695 ND2 ASN A 44 0.605 -71.569 41.948 1.00 0.00 N ATOM 0 H ASN A 44 -2.163 -67.362 42.762 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.373 -68.154 40.835 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.768 -69.165 40.969 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.625 -68.340 42.509 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.735 -72.459 42.429 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.637 -71.530 40.929 1.00 0.00 H new ATOM 702 N GLY A 45 -3.273 -70.214 41.197 1.00 0.00 N ATOM 703 CA GLY A 45 -4.004 -71.399 40.751 1.00 0.00 C ATOM 704 C GLY A 45 -4.520 -72.229 41.923 1.00 0.00 C ATOM 705 O GLY A 45 -5.187 -73.245 41.723 1.00 0.00 O ATOM 0 H GLY A 45 -3.860 -69.444 41.518 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.843 -71.093 40.126 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.353 -72.014 40.130 1.00 0.00 H new ATOM 709 N ASN A 46 -4.222 -71.796 43.141 1.00 0.00 N ATOM 710 CA ASN A 46 -4.683 -72.518 44.324 1.00 0.00 C ATOM 711 C ASN A 46 -5.963 -71.876 44.859 1.00 0.00 C ATOM 712 O ASN A 46 -5.988 -70.686 45.162 1.00 0.00 O ATOM 713 CB ASN A 46 -3.593 -72.505 45.395 1.00 0.00 C ATOM 714 CG ASN A 46 -2.411 -73.357 44.943 1.00 0.00 C ATOM 715 OD1 ASN A 46 -1.677 -73.893 45.774 1.00 0.00 O ATOM 716 ND2 ASN A 46 -2.186 -73.521 43.668 1.00 0.00 N ATOM 0 H ASN A 46 -3.671 -70.960 43.337 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.898 -73.552 44.054 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.265 -71.482 45.580 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.990 -72.888 46.335 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.401 -74.094 43.358 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.795 -73.076 42.981 1.00 0.00 H new ATOM 723 N LEU A 47 -7.031 -72.661 44.962 1.00 0.00 N ATOM 724 CA LEU A 47 -8.303 -72.127 45.444 1.00 0.00 C ATOM 725 C LEU A 47 -8.365 -72.138 46.963 1.00 0.00 C ATOM 726 O LEU A 47 -8.475 -71.084 47.590 1.00 0.00 O ATOM 727 CB LEU A 47 -9.474 -72.931 44.876 1.00 0.00 C ATOM 728 CG LEU A 47 -10.773 -72.162 45.126 1.00 0.00 C ATOM 729 CD1 LEU A 47 -10.759 -70.858 44.327 1.00 0.00 C ATOM 730 CD2 LEU A 47 -11.969 -73.010 44.688 1.00 0.00 C ATOM 0 H LEU A 47 -7.044 -73.653 44.723 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.377 -71.095 45.102 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.334 -73.097 43.808 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.521 -73.913 45.347 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.857 -71.939 46.190 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.685 -70.312 44.506 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.911 -70.248 44.640 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.671 -71.083 43.264 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -12.892 -72.458 44.868 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -11.884 -73.238 43.625 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.985 -73.939 45.258 1.00 0.00 H new ATOM 742 N GLU A 48 -8.287 -73.322 47.559 1.00 0.00 N ATOM 743 CA GLU A 48 -8.330 -73.408 49.009 1.00 0.00 C ATOM 744 C GLU A 48 -7.462 -72.305 49.587 1.00 0.00 C ATOM 745 O GLU A 48 -7.629 -71.892 50.734 1.00 0.00 O ATOM 746 CB GLU A 48 -7.836 -74.776 49.482 1.00 0.00 C ATOM 747 CG GLU A 48 -9.036 -75.605 49.940 1.00 0.00 C ATOM 748 CD GLU A 48 -8.567 -76.920 50.552 1.00 0.00 C ATOM 749 OE1 GLU A 48 -7.365 -77.108 50.651 1.00 0.00 O ATOM 750 OE2 GLU A 48 -9.414 -77.720 50.913 1.00 0.00 O ATOM 0 H GLU A 48 -8.196 -74.214 47.073 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.358 -73.287 49.351 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.311 -75.287 48.675 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.125 -74.658 50.300 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.618 -75.043 50.671 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.694 -75.804 49.094 1.00 0.00 H new ATOM 757 N LEU A 49 -6.544 -71.827 48.759 1.00 0.00 N ATOM 758 CA LEU A 49 -5.642 -70.758 49.145 1.00 0.00 C ATOM 759 C LEU A 49 -6.267 -69.417 48.807 1.00 0.00 C ATOM 760 O LEU A 49 -6.167 -68.463 49.576 1.00 0.00 O ATOM 761 CB LEU A 49 -4.316 -70.913 48.408 1.00 0.00 C ATOM 762 CG LEU A 49 -3.578 -72.123 48.972 1.00 0.00 C ATOM 763 CD1 LEU A 49 -3.137 -71.808 50.399 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.518 -73.335 48.989 1.00 0.00 C ATOM 0 H LEU A 49 -6.406 -72.168 47.808 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.461 -70.808 50.219 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.491 -71.042 47.340 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.711 -70.014 48.526 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.710 -72.348 48.353 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.608 -72.666 50.814 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.475 -70.942 50.393 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.013 -71.591 51.011 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.990 -74.199 49.392 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.384 -73.115 49.613 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.849 -73.553 47.974 1.00 0.00 H new ATOM 776 N ALA A 50 -6.932 -69.359 47.657 1.00 0.00 N ATOM 777 CA ALA A 50 -7.591 -68.133 47.243 1.00 0.00 C ATOM 778 C ALA A 50 -8.752 -67.854 48.189 1.00 0.00 C ATOM 779 O ALA A 50 -8.814 -66.793 48.805 1.00 0.00 O ATOM 780 CB ALA A 50 -8.094 -68.252 45.803 1.00 0.00 C ATOM 0 H ALA A 50 -7.026 -70.138 47.005 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.880 -67.308 47.282 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.585 -67.324 45.511 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.252 -68.442 45.138 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.805 -69.076 45.733 1.00 0.00 H new ATOM 786 N VAL A 51 -9.651 -68.826 48.337 1.00 0.00 N ATOM 787 CA VAL A 51 -10.771 -68.663 49.251 1.00 0.00 C ATOM 788 C VAL A 51 -10.232 -68.282 50.613 1.00 0.00 C ATOM 789 O VAL A 51 -10.623 -67.275 51.203 1.00 0.00 O ATOM 790 CB VAL A 51 -11.546 -69.973 49.369 1.00 0.00 C ATOM 791 CG1 VAL A 51 -10.640 -71.070 49.920 1.00 0.00 C ATOM 792 CG2 VAL A 51 -12.730 -69.778 50.313 1.00 0.00 C ATOM 0 H VAL A 51 -9.625 -69.718 47.844 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.438 -67.888 48.874 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.903 -70.265 48.381 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.202 -72.000 50.000 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.794 -71.214 49.248 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.276 -70.780 50.906 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.285 -70.712 50.399 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.366 -69.481 51.296 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.386 -69.002 49.919 1.00 0.00 H new ATOM 802 N ALA A 52 -9.307 -69.099 51.083 1.00 0.00 N ATOM 803 CA ALA A 52 -8.668 -68.874 52.359 1.00 0.00 C ATOM 804 C ALA A 52 -8.115 -67.456 52.410 1.00 0.00 C ATOM 805 O ALA A 52 -8.288 -66.742 53.394 1.00 0.00 O ATOM 806 CB ALA A 52 -7.543 -69.889 52.523 1.00 0.00 C ATOM 0 H ALA A 52 -8.982 -69.931 50.591 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.387 -68.993 53.169 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.049 -69.733 53.482 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.955 -70.898 52.486 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.819 -69.763 51.718 1.00 0.00 H new ATOM 812 N PHE A 53 -7.460 -67.052 51.330 1.00 0.00 N ATOM 813 CA PHE A 53 -6.893 -65.711 51.252 1.00 0.00 C ATOM 814 C PHE A 53 -7.928 -64.665 51.657 1.00 0.00 C ATOM 815 O PHE A 53 -7.577 -63.590 52.143 1.00 0.00 O ATOM 816 CB PHE A 53 -6.414 -65.432 49.828 1.00 0.00 C ATOM 817 CG PHE A 53 -4.907 -65.361 49.798 1.00 0.00 C ATOM 818 CD1 PHE A 53 -4.242 -64.314 50.448 1.00 0.00 C ATOM 819 CD2 PHE A 53 -4.173 -66.343 49.122 1.00 0.00 C ATOM 820 CE1 PHE A 53 -2.843 -64.251 50.421 1.00 0.00 C ATOM 821 CE2 PHE A 53 -2.775 -66.279 49.095 1.00 0.00 C ATOM 822 CZ PHE A 53 -2.110 -65.233 49.745 1.00 0.00 C ATOM 0 H PHE A 53 -7.308 -67.628 50.502 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.049 -65.653 51.939 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.763 -66.217 49.157 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.838 -64.494 49.469 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.807 -63.556 50.970 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.686 -67.151 48.621 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.330 -63.444 50.922 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.210 -67.037 48.573 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.031 -65.184 49.725 1.00 0.00 H new ATOM 832 N LEU A 54 -9.203 -64.983 51.451 1.00 0.00 N ATOM 833 CA LEU A 54 -10.275 -64.054 51.800 1.00 0.00 C ATOM 834 C LEU A 54 -10.670 -64.211 53.264 1.00 0.00 C ATOM 835 O LEU A 54 -10.710 -63.236 54.012 1.00 0.00 O ATOM 836 CB LEU A 54 -11.496 -64.305 50.916 1.00 0.00 C ATOM 837 CG LEU A 54 -11.222 -63.765 49.504 1.00 0.00 C ATOM 838 CD1 LEU A 54 -10.306 -64.727 48.749 1.00 0.00 C ATOM 839 CD2 LEU A 54 -12.535 -63.633 48.731 1.00 0.00 C ATOM 0 H LEU A 54 -9.517 -65.866 51.049 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.911 -63.039 51.639 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.715 -65.372 50.873 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.373 -63.816 51.341 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.745 -62.789 49.592 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.116 -64.338 47.749 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.362 -64.827 49.285 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.786 -65.703 48.674 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.332 -63.250 47.731 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.012 -64.610 48.655 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.198 -62.945 49.255 1.00 0.00 H new ATOM 851 N THR A 55 -10.965 -65.443 53.665 1.00 0.00 N ATOM 852 CA THR A 55 -11.358 -65.705 55.044 1.00 0.00 C ATOM 853 C THR A 55 -10.128 -65.826 55.935 1.00 0.00 C ATOM 854 O THR A 55 -10.078 -65.250 57.022 1.00 0.00 O ATOM 855 CB THR A 55 -12.183 -66.991 55.125 1.00 0.00 C ATOM 856 OG1 THR A 55 -12.382 -67.332 56.489 1.00 0.00 O ATOM 857 CG2 THR A 55 -11.442 -68.125 54.418 1.00 0.00 C ATOM 0 H THR A 55 -10.940 -66.266 53.063 1.00 0.00 H new ATOM 0 HA THR A 55 -11.965 -64.869 55.392 1.00 0.00 H new ATOM 0 HB THR A 55 -13.147 -66.836 54.640 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.911 -68.155 56.547 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.033 -69.039 54.478 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.287 -67.861 53.372 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.477 -68.285 54.899 1.00 0.00 H new ATOM 1533 N ASP A 101 37.850 -6.798 -4.159 1.00 0.00 N ATOM 1534 CA ASP A 101 38.141 -6.059 -2.938 1.00 0.00 C ATOM 1535 C ASP A 101 39.549 -6.380 -2.448 1.00 0.00 C ATOM 1536 O ASP A 101 40.322 -5.479 -2.122 1.00 0.00 O ATOM 1537 CB ASP A 101 37.121 -6.411 -1.854 1.00 0.00 C ATOM 1538 CG ASP A 101 36.004 -5.372 -1.833 1.00 0.00 C ATOM 1539 OD1 ASP A 101 35.378 -5.184 -2.862 1.00 0.00 O ATOM 1540 OD2 ASP A 101 35.793 -4.779 -0.789 1.00 0.00 O ATOM 0 HA ASP A 101 38.077 -4.992 -3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 101 36.705 -7.401 -2.042 1.00 0.00 H new ATOM 0 HB3 ASP A 101 37.611 -6.451 -0.881 1.00 0.00 H new ATOM 1545 N LEU A 102 39.885 -7.666 -2.410 1.00 0.00 N ATOM 1546 CA LEU A 102 41.213 -8.073 -1.969 1.00 0.00 C ATOM 1547 C LEU A 102 42.234 -7.738 -3.036 1.00 0.00 C ATOM 1548 O LEU A 102 43.284 -7.163 -2.753 1.00 0.00 O ATOM 1549 CB LEU A 102 41.256 -9.575 -1.663 1.00 0.00 C ATOM 1550 CG LEU A 102 40.290 -9.923 -0.520 1.00 0.00 C ATOM 1551 CD1 LEU A 102 40.416 -8.897 0.610 1.00 0.00 C ATOM 1552 CD2 LEU A 102 38.850 -9.933 -1.042 1.00 0.00 C ATOM 0 H LEU A 102 39.267 -8.433 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 102 41.450 -7.530 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 102 40.990 -10.141 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 102 42.270 -9.867 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 102 40.544 -10.911 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 102 39.726 -9.155 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 102 41.437 -8.900 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 102 40.175 -7.905 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 102 38.169 -10.180 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 102 38.600 -8.949 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 102 38.755 -10.677 -1.833 1.00 0.00 H new ATOM 1564 N GLN A 103 41.904 -8.078 -4.264 1.00 0.00 N ATOM 1565 CA GLN A 103 42.787 -7.780 -5.376 1.00 0.00 C ATOM 1566 C GLN A 103 43.281 -6.353 -5.226 1.00 0.00 C ATOM 1567 O GLN A 103 44.301 -5.961 -5.793 1.00 0.00 O ATOM 1568 CB GLN A 103 42.029 -7.920 -6.691 1.00 0.00 C ATOM 1569 CG GLN A 103 42.977 -8.418 -7.785 1.00 0.00 C ATOM 1570 CD GLN A 103 43.360 -9.872 -7.527 1.00 0.00 C ATOM 1571 OE1 GLN A 103 44.511 -10.257 -7.734 1.00 0.00 O ATOM 1572 NE2 GLN A 103 42.459 -10.705 -7.085 1.00 0.00 N ATOM 0 H GLN A 103 41.040 -8.556 -4.518 1.00 0.00 H new ATOM 0 HA GLN A 103 43.628 -8.473 -5.379 1.00 0.00 H new ATOM 0 HB2 GLN A 103 41.199 -8.617 -6.571 1.00 0.00 H new ATOM 0 HB3 GLN A 103 41.600 -6.960 -6.978 1.00 0.00 H new ATOM 0 HG2 GLN A 103 42.498 -8.328 -8.760 1.00 0.00 H new ATOM 0 HG3 GLN A 103 43.873 -7.797 -7.811 1.00 0.00 H new ATOM 0 HE21 GLN A 103 41.506 -10.383 -6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 103 42.707 -11.679 -6.910 1.00 0.00 H new ATOM 1581 N ARG A 104 42.533 -5.589 -4.440 1.00 0.00 N ATOM 1582 CA ARG A 104 42.873 -4.195 -4.186 1.00 0.00 C ATOM 1583 C ARG A 104 43.861 -4.099 -3.032 1.00 0.00 C ATOM 1584 O ARG A 104 44.861 -3.385 -3.115 1.00 0.00 O ATOM 1585 CB ARG A 104 41.608 -3.400 -3.849 1.00 0.00 C ATOM 1586 CG ARG A 104 41.907 -1.902 -3.935 1.00 0.00 C ATOM 1587 CD ARG A 104 40.913 -1.238 -4.889 1.00 0.00 C ATOM 1588 NE ARG A 104 41.357 0.111 -5.220 1.00 0.00 N ATOM 1589 CZ ARG A 104 40.861 1.174 -4.595 1.00 0.00 C ATOM 1590 NH1 ARG A 104 39.956 1.026 -3.666 1.00 0.00 N ATOM 1591 NH2 ARG A 104 41.284 2.369 -4.908 1.00 0.00 N ATOM 0 H ARG A 104 41.688 -5.911 -3.968 1.00 0.00 H new ATOM 0 HA ARG A 104 43.331 -3.777 -5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 104 40.807 -3.662 -4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 104 41.261 -3.655 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 104 41.837 -1.449 -2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 104 42.926 -1.743 -4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 104 40.819 -1.831 -5.799 1.00 0.00 H new ATOM 0 HD3 ARG A 104 39.925 -1.201 -4.429 1.00 0.00 H new ATOM 0 HE ARG A 104 42.062 0.241 -5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 104 39.628 0.093 -3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 104 39.577 1.844 -3.188 1.00 0.00 H new ATOM 0 HH21 ARG A 104 41.994 2.486 -5.631 1.00 0.00 H new ATOM 0 HH22 ARG A 104 40.904 3.186 -4.429 1.00 0.00 H new ATOM 1605 N ALA A 105 43.581 -4.833 -1.959 1.00 0.00 N ATOM 1606 CA ALA A 105 44.460 -4.830 -0.798 1.00 0.00 C ATOM 1607 C ALA A 105 45.884 -5.171 -1.225 1.00 0.00 C ATOM 1608 O ALA A 105 46.839 -4.492 -0.847 1.00 0.00 O ATOM 1609 CB ALA A 105 43.970 -5.852 0.230 1.00 0.00 C ATOM 0 H ALA A 105 42.760 -5.432 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 105 44.449 -3.837 -0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.633 -5.844 1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 105 42.959 -5.595 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 105 43.969 -6.846 -0.217 1.00 0.00 H new ATOM 1615 N ILE A 106 46.015 -6.224 -2.028 1.00 0.00 N ATOM 1616 CA ILE A 106 47.324 -6.641 -2.514 1.00 0.00 C ATOM 1617 C ILE A 106 47.935 -5.543 -3.356 1.00 0.00 C ATOM 1618 O ILE A 106 49.023 -5.041 -3.073 1.00 0.00 O ATOM 1619 CB ILE A 106 47.199 -7.917 -3.349 1.00 0.00 C ATOM 1620 CG1 ILE A 106 46.172 -8.851 -2.707 1.00 0.00 C ATOM 1621 CG2 ILE A 106 48.556 -8.618 -3.417 1.00 0.00 C ATOM 1622 CD1 ILE A 106 46.626 -9.217 -1.291 1.00 0.00 C ATOM 0 H ILE A 106 45.237 -6.799 -2.353 1.00 0.00 H new ATOM 0 HA ILE A 106 47.967 -6.840 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 106 46.873 -7.660 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 106 45.196 -8.367 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 106 46.060 -9.753 -3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 106 48.467 -9.527 -4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 106 49.286 -7.953 -3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 106 48.884 -8.875 -2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 106 45.893 -9.883 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 106 47.593 -9.718 -1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 106 46.716 -8.311 -0.692 1.00 0.00 H new ATOM 1634 N ALA A 107 47.210 -5.180 -4.387 1.00 0.00 N ATOM 1635 CA ALA A 107 47.648 -4.130 -5.296 1.00 0.00 C ATOM 1636 C ALA A 107 48.174 -2.939 -4.504 1.00 0.00 C ATOM 1637 O ALA A 107 49.216 -2.371 -4.831 1.00 0.00 O ATOM 1638 CB ALA A 107 46.485 -3.684 -6.184 1.00 0.00 C ATOM 0 H ALA A 107 46.309 -5.594 -4.624 1.00 0.00 H new ATOM 0 HA ALA A 107 48.447 -4.523 -5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 107 46.824 -2.899 -6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 107 46.125 -4.533 -6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 107 45.677 -3.302 -5.560 1.00 0.00 H new ATOM 1644 N LEU A 108 47.445 -2.570 -3.455 1.00 0.00 N ATOM 1645 CA LEU A 108 47.846 -1.449 -2.614 1.00 0.00 C ATOM 1646 C LEU A 108 49.271 -1.652 -2.113 1.00 0.00 C ATOM 1647 O LEU A 108 50.055 -0.706 -2.042 1.00 0.00 O ATOM 1648 CB LEU A 108 46.893 -1.320 -1.423 1.00 0.00 C ATOM 1649 CG LEU A 108 46.290 0.087 -1.398 1.00 0.00 C ATOM 1650 CD1 LEU A 108 45.193 0.153 -0.334 1.00 0.00 C ATOM 1651 CD2 LEU A 108 47.383 1.105 -1.065 1.00 0.00 C ATOM 0 H LEU A 108 46.579 -3.028 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 108 47.804 -0.535 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 108 46.101 -2.065 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 108 47.428 -1.514 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 108 45.864 0.316 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 108 44.763 1.155 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 108 44.414 -0.572 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 108 45.619 -0.077 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 108 46.954 2.107 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 108 47.809 0.875 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 108 48.166 1.059 -1.822 1.00 0.00 H new ATOM 1663 N SER A 109 49.601 -2.894 -1.769 1.00 0.00 N ATOM 1664 CA SER A 109 50.939 -3.204 -1.283 1.00 0.00 C ATOM 1665 C SER A 109 51.936 -3.173 -2.431 1.00 0.00 C ATOM 1666 O SER A 109 53.003 -2.570 -2.323 1.00 0.00 O ATOM 1667 CB SER A 109 50.956 -4.582 -0.618 1.00 0.00 C ATOM 1668 OG SER A 109 49.624 -4.972 -0.310 1.00 0.00 O ATOM 0 H SER A 109 48.968 -3.692 -1.817 1.00 0.00 H new ATOM 0 HA SER A 109 51.223 -2.452 -0.546 1.00 0.00 H new ATOM 0 HB2 SER A 109 51.417 -5.313 -1.282 1.00 0.00 H new ATOM 0 HB3 SER A 109 51.558 -4.553 0.290 1.00 0.00 H new ATOM 0 HG SER A 109 49.632 -5.855 0.115 1.00 0.00 H new ATOM 1674 N LEU A 110 51.576 -3.812 -3.535 1.00 0.00 N ATOM 1675 CA LEU A 110 52.446 -3.830 -4.700 1.00 0.00 C ATOM 1676 C LEU A 110 52.917 -2.416 -4.997 1.00 0.00 C ATOM 1677 O LEU A 110 53.897 -2.209 -5.714 1.00 0.00 O ATOM 1678 CB LEU A 110 51.692 -4.383 -5.909 1.00 0.00 C ATOM 1679 CG LEU A 110 52.158 -5.812 -6.198 1.00 0.00 C ATOM 1680 CD1 LEU A 110 53.660 -5.813 -6.494 1.00 0.00 C ATOM 1681 CD2 LEU A 110 51.877 -6.694 -4.980 1.00 0.00 C ATOM 0 H LEU A 110 50.698 -4.319 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 110 53.305 -4.469 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 110 50.619 -4.372 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 110 51.867 -3.750 -6.779 1.00 0.00 H new ATOM 0 HG LEU A 110 51.620 -6.201 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 110 53.990 -6.831 -6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 110 53.860 -5.185 -7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 110 54.201 -5.424 -5.632 1.00 0.00 H new ATOM 0 HD21 LEU A 110 52.208 -7.712 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 110 52.415 -6.304 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 110 50.807 -6.695 -4.771 1.00 0.00 H new ATOM 1693 N ALA A 111 52.203 -1.446 -4.437 1.00 0.00 N ATOM 1694 CA ALA A 111 52.541 -0.041 -4.640 1.00 0.00 C ATOM 1695 C ALA A 111 53.551 0.423 -3.597 1.00 0.00 C ATOM 1696 O ALA A 111 54.646 0.872 -3.938 1.00 0.00 O ATOM 1697 CB ALA A 111 51.282 0.815 -4.543 1.00 0.00 C ATOM 0 H ALA A 111 51.390 -1.605 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 111 52.982 0.068 -5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 111 51.542 1.863 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 111 50.570 0.503 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 111 50.834 0.692 -3.557 1.00 0.00 H new ATOM 1703 N GLU A 112 53.183 0.304 -2.324 1.00 0.00 N ATOM 1704 CA GLU A 112 54.079 0.710 -1.248 1.00 0.00 C ATOM 1705 C GLU A 112 55.466 0.136 -1.499 1.00 0.00 C ATOM 1706 O GLU A 112 56.473 0.673 -1.033 1.00 0.00 O ATOM 1707 CB GLU A 112 53.548 0.209 0.098 1.00 0.00 C ATOM 1708 CG GLU A 112 52.111 0.696 0.294 1.00 0.00 C ATOM 1709 CD GLU A 112 52.085 2.218 0.376 1.00 0.00 C ATOM 1710 OE1 GLU A 112 52.954 2.772 1.029 1.00 0.00 O ATOM 1711 OE2 GLU A 112 51.197 2.809 -0.216 1.00 0.00 O ATOM 0 H GLU A 112 52.283 -0.065 -2.016 1.00 0.00 H new ATOM 0 HA GLU A 112 54.134 1.798 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 112 53.582 -0.880 0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 112 54.180 0.573 0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 112 51.487 0.357 -0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 112 51.694 0.267 1.205 1.00 0.00 H new ATOM 1718 N SER A 113 55.506 -0.954 -2.256 1.00 0.00 N ATOM 1719 CA SER A 113 56.768 -1.599 -2.587 1.00 0.00 C ATOM 1720 C SER A 113 57.359 -0.970 -3.841 1.00 0.00 C ATOM 1721 O SER A 113 58.541 -0.629 -3.878 1.00 0.00 O ATOM 1722 CB SER A 113 56.553 -3.096 -2.811 1.00 0.00 C ATOM 1723 OG SER A 113 57.797 -3.709 -3.122 1.00 0.00 O ATOM 0 H SER A 113 54.682 -1.407 -2.650 1.00 0.00 H new ATOM 0 HA SER A 113 57.461 -1.462 -1.757 1.00 0.00 H new ATOM 0 HB2 SER A 113 56.124 -3.551 -1.918 1.00 0.00 H new ATOM 0 HB3 SER A 113 55.843 -3.255 -3.623 1.00 0.00 H new ATOM 0 HG SER A 113 57.662 -4.669 -3.265 1.00 0.00 H new ATOM 1902 N GLU A 125 82.479 4.505 -1.051 1.00 0.00 N ATOM 1903 CA GLU A 125 83.858 4.645 -0.598 1.00 0.00 C ATOM 1904 C GLU A 125 84.648 5.531 -1.557 1.00 0.00 C ATOM 1905 O GLU A 125 85.591 6.213 -1.155 1.00 0.00 O ATOM 1906 CB GLU A 125 84.520 3.269 -0.507 1.00 0.00 C ATOM 1907 CG GLU A 125 84.201 2.634 0.848 1.00 0.00 C ATOM 1908 CD GLU A 125 85.057 3.272 1.937 1.00 0.00 C ATOM 1909 OE1 GLU A 125 86.263 3.329 1.758 1.00 0.00 O ATOM 1910 OE2 GLU A 125 84.495 3.692 2.935 1.00 0.00 O ATOM 0 HA GLU A 125 83.853 5.110 0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 125 84.163 2.628 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 125 85.599 3.365 -0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 125 83.144 2.765 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 125 84.388 1.561 0.809 1.00 0.00 H new ATOM 1917 N GLU A 126 84.255 5.514 -2.826 1.00 0.00 N ATOM 1918 CA GLU A 126 84.932 6.317 -3.836 1.00 0.00 C ATOM 1919 C GLU A 126 84.826 7.802 -3.502 1.00 0.00 C ATOM 1920 O GLU A 126 85.825 8.521 -3.505 1.00 0.00 O ATOM 1921 CB GLU A 126 84.312 6.056 -5.211 1.00 0.00 C ATOM 1922 CG GLU A 126 85.175 6.701 -6.296 1.00 0.00 C ATOM 1923 CD GLU A 126 85.611 5.649 -7.311 1.00 0.00 C ATOM 1924 OE1 GLU A 126 84.877 5.431 -8.260 1.00 0.00 O ATOM 1925 OE2 GLU A 126 86.672 5.078 -7.124 1.00 0.00 O ATOM 0 H GLU A 126 83.476 4.957 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 126 85.985 6.035 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 126 84.231 4.983 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 126 83.301 6.462 -5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 126 84.614 7.490 -6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 126 86.051 7.168 -5.846 1.00 0.00 H new ATOM 1932 N GLN A 127 83.610 8.255 -3.214 1.00 0.00 N ATOM 1933 CA GLN A 127 83.389 9.656 -2.879 1.00 0.00 C ATOM 1934 C GLN A 127 84.036 9.994 -1.540 1.00 0.00 C ATOM 1935 O GLN A 127 84.462 11.126 -1.314 1.00 0.00 O ATOM 1936 CB GLN A 127 81.889 9.948 -2.810 1.00 0.00 C ATOM 1937 CG GLN A 127 81.112 8.785 -3.428 1.00 0.00 C ATOM 1938 CD GLN A 127 79.635 9.146 -3.538 1.00 0.00 C ATOM 1939 OE1 GLN A 127 79.135 9.386 -4.636 1.00 0.00 O ATOM 1940 NE2 GLN A 127 78.904 9.199 -2.458 1.00 0.00 N ATOM 0 H GLN A 127 82.769 7.677 -3.206 1.00 0.00 H new ATOM 0 HA GLN A 127 83.843 10.271 -3.656 1.00 0.00 H new ATOM 0 HB2 GLN A 127 81.584 10.093 -1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 127 81.663 10.873 -3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 127 81.513 8.552 -4.415 1.00 0.00 H new ATOM 0 HG3 GLN A 127 81.232 7.891 -2.816 1.00 0.00 H new ATOM 0 HE21 GLN A 127 79.322 8.999 -1.549 1.00 0.00 H new ATOM 0 HE22 GLN A 127 77.915 9.440 -2.523 1.00 0.00 H new ATOM 1949 N ALA A 128 84.106 9.006 -0.654 1.00 0.00 N ATOM 1950 CA ALA A 128 84.706 9.213 0.659 1.00 0.00 C ATOM 1951 C ALA A 128 86.163 9.641 0.520 1.00 0.00 C ATOM 1952 O ALA A 128 86.590 10.630 1.114 1.00 0.00 O ATOM 1953 CB ALA A 128 84.627 7.925 1.480 1.00 0.00 C ATOM 0 H ALA A 128 83.758 8.062 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 128 84.154 10.002 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 128 85.078 8.089 2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 128 83.583 7.636 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 128 85.164 7.130 0.962 1.00 0.00 H new ATOM 1959 N ILE A 129 86.921 8.888 -0.269 1.00 0.00 N ATOM 1960 CA ILE A 129 88.331 9.195 -0.481 1.00 0.00 C ATOM 1961 C ILE A 129 88.492 10.586 -1.087 1.00 0.00 C ATOM 1962 O ILE A 129 89.158 11.449 -0.517 1.00 0.00 O ATOM 1963 CB ILE A 129 88.952 8.157 -1.416 1.00 0.00 C ATOM 1964 CG1 ILE A 129 89.306 6.899 -0.619 1.00 0.00 C ATOM 1965 CG2 ILE A 129 90.221 8.733 -2.050 1.00 0.00 C ATOM 1966 CD1 ILE A 129 89.521 5.730 -1.580 1.00 0.00 C ATOM 0 H ILE A 129 86.586 8.065 -0.770 1.00 0.00 H new ATOM 0 HA ILE A 129 88.839 9.170 0.483 1.00 0.00 H new ATOM 0 HB ILE A 129 88.238 7.902 -2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 129 90.207 7.070 -0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 129 88.506 6.664 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 129 90.663 7.992 -2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 129 89.970 9.628 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 129 90.935 8.989 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 129 89.773 4.834 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 129 88.608 5.554 -2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 129 90.335 5.967 -2.265 1.00 0.00 H new ATOM 1978 N SER A 130 87.876 10.792 -2.246 1.00 0.00 N ATOM 1979 CA SER A 130 87.956 12.081 -2.924 1.00 0.00 C ATOM 1980 C SER A 130 87.768 13.221 -1.928 1.00 0.00 C ATOM 1981 O SER A 130 88.419 14.262 -2.030 1.00 0.00 O ATOM 1982 CB SER A 130 86.881 12.166 -4.007 1.00 0.00 C ATOM 1983 OG SER A 130 86.246 13.436 -3.940 1.00 0.00 O ATOM 0 H SER A 130 87.320 10.089 -2.733 1.00 0.00 H new ATOM 0 HA SER A 130 88.941 12.171 -3.381 1.00 0.00 H new ATOM 0 HB2 SER A 130 87.327 12.021 -4.991 1.00 0.00 H new ATOM 0 HB3 SER A 130 86.147 11.372 -3.870 1.00 0.00 H new ATOM 0 HG SER A 130 85.557 13.494 -4.635 1.00 0.00 H new ATOM 1989 N ARG A 131 86.874 13.017 -0.967 1.00 0.00 N ATOM 1990 CA ARG A 131 86.606 14.034 0.043 1.00 0.00 C ATOM 1991 C ARG A 131 87.869 14.343 0.839 1.00 0.00 C ATOM 1992 O ARG A 131 88.307 15.492 0.904 1.00 0.00 O ATOM 1993 CB ARG A 131 85.506 13.553 0.992 1.00 0.00 C ATOM 1994 CG ARG A 131 84.561 14.712 1.310 1.00 0.00 C ATOM 1995 CD ARG A 131 83.686 15.006 0.089 1.00 0.00 C ATOM 1996 NE ARG A 131 83.554 16.445 -0.103 1.00 0.00 N ATOM 1997 CZ ARG A 131 83.384 16.964 -1.315 1.00 0.00 C ATOM 1998 NH1 ARG A 131 83.337 16.182 -2.360 1.00 0.00 N ATOM 1999 NH2 ARG A 131 83.264 18.255 -1.460 1.00 0.00 N ATOM 0 H ARG A 131 86.326 12.163 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 131 86.277 14.942 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 131 84.951 12.733 0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 131 85.947 13.168 1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 131 83.936 14.461 2.167 1.00 0.00 H new ATOM 0 HG3 ARG A 131 85.134 15.598 1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 131 84.125 14.552 -0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 131 82.701 14.558 0.222 1.00 0.00 H new ATOM 0 HE ARG A 131 83.593 17.064 0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 131 83.431 15.173 -2.246 1.00 0.00 H new ATOM 0 HH12 ARG A 131 83.207 16.581 -3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 131 83.301 18.865 -0.644 1.00 0.00 H new ATOM 0 HH22 ARG A 131 83.134 18.654 -2.390 1.00 0.00 H new ATOM 2013 N VAL A 132 88.451 13.312 1.444 1.00 0.00 N ATOM 2014 CA VAL A 132 89.664 13.492 2.232 1.00 0.00 C ATOM 2015 C VAL A 132 90.650 14.392 1.493 1.00 0.00 C ATOM 2016 O VAL A 132 91.353 15.194 2.106 1.00 0.00 O ATOM 2017 CB VAL A 132 90.311 12.135 2.513 1.00 0.00 C ATOM 2018 CG1 VAL A 132 91.335 12.282 3.640 1.00 0.00 C ATOM 2019 CG2 VAL A 132 89.229 11.137 2.934 1.00 0.00 C ATOM 0 H VAL A 132 88.106 12.353 1.404 1.00 0.00 H new ATOM 0 HA VAL A 132 89.398 13.965 3.177 1.00 0.00 H new ATOM 0 HB VAL A 132 90.811 11.775 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 132 91.796 11.315 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 132 92.103 12.996 3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 132 90.836 12.640 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 132 89.686 10.168 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 132 88.732 11.498 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 132 88.498 11.034 2.132 1.00 0.00 H new ATOM 2029 N LEU A 133 90.686 14.258 0.170 1.00 0.00 N ATOM 2030 CA LEU A 133 91.581 15.070 -0.648 1.00 0.00 C ATOM 2031 C LEU A 133 91.139 16.532 -0.611 1.00 0.00 C ATOM 2032 O LEU A 133 91.570 17.305 0.251 1.00 0.00 O ATOM 2033 CB LEU A 133 91.571 14.558 -2.091 1.00 0.00 C ATOM 2034 CG LEU A 133 92.907 13.882 -2.409 1.00 0.00 C ATOM 2035 CD1 LEU A 133 93.092 12.666 -1.502 1.00 0.00 C ATOM 2036 CD2 LEU A 133 92.912 13.430 -3.873 1.00 0.00 C ATOM 0 H LEU A 133 90.110 13.600 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 133 92.593 14.996 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 133 90.753 13.851 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 133 91.398 15.385 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 133 93.721 14.588 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 133 94.043 12.185 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 133 93.086 12.985 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 133 92.279 11.960 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 133 93.863 12.948 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 133 92.098 12.724 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 133 92.779 14.296 -4.522 1.00 0.00 H new ATOM 2048 N GLU A 134 90.265 16.907 -1.538 1.00 0.00 N ATOM 2049 CA GLU A 134 89.770 18.277 -1.574 1.00 0.00 C ATOM 2050 C GLU A 134 89.675 18.816 -0.158 1.00 0.00 C ATOM 2051 O GLU A 134 90.176 19.894 0.127 1.00 0.00 O ATOM 2052 CB GLU A 134 88.397 18.325 -2.244 1.00 0.00 C ATOM 2053 CG GLU A 134 88.575 18.437 -3.761 1.00 0.00 C ATOM 2054 CD GLU A 134 87.221 18.335 -4.456 1.00 0.00 C ATOM 2055 OE1 GLU A 134 86.453 17.461 -4.089 1.00 0.00 O ATOM 2056 OE2 GLU A 134 86.975 19.131 -5.347 1.00 0.00 O ATOM 0 H GLU A 134 89.890 16.294 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 134 90.460 18.892 -2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 134 87.829 17.428 -1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 134 87.827 19.175 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 134 89.050 19.386 -4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 134 89.236 17.647 -4.117 1.00 0.00 H new ATOM 2063 N ALA A 135 89.046 18.052 0.731 1.00 0.00 N ATOM 2064 CA ALA A 135 88.917 18.474 2.120 1.00 0.00 C ATOM 2065 C ALA A 135 90.189 19.185 2.568 1.00 0.00 C ATOM 2066 O ALA A 135 90.193 20.398 2.776 1.00 0.00 O ATOM 2067 CB ALA A 135 88.665 17.261 3.017 1.00 0.00 C ATOM 0 H ALA A 135 88.623 17.149 0.517 1.00 0.00 H new ATOM 0 HA ALA A 135 88.074 19.160 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 135 88.570 17.588 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 135 87.745 16.764 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 135 89.500 16.565 2.931 1.00 0.00 H new ATOM 2073 N SER A 136 91.272 18.424 2.698 1.00 0.00 N ATOM 2074 CA SER A 136 92.550 18.997 3.102 1.00 0.00 C ATOM 2075 C SER A 136 93.086 19.890 1.991 1.00 0.00 C ATOM 2076 O SER A 136 94.241 20.302 2.020 1.00 0.00 O ATOM 2077 CB SER A 136 93.558 17.885 3.398 1.00 0.00 C ATOM 2078 OG SER A 136 94.783 18.175 2.738 1.00 0.00 O ATOM 0 H SER A 136 91.290 17.418 2.531 1.00 0.00 H new ATOM 0 HA SER A 136 92.401 19.589 4.005 1.00 0.00 H new ATOM 0 HB2 SER A 136 93.721 17.802 4.473 1.00 0.00 H new ATOM 0 HB3 SER A 136 93.168 16.925 3.060 1.00 0.00 H new ATOM 0 HG SER A 136 95.035 19.106 2.910 1.00 0.00 H new