USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 399 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 41 THR OG1 : rot -54:sc= 0.81 USER MOD Set 1.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot 180:sc= -0.755 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.0471 K(o=-0.8,f=-2.7!) USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.9!) USER MOD Single : A 20 THR OG1 : rot 73:sc= 0.0718 USER MOD Single : A 21 GLN : amide:sc= -0.0776 K(o=-0.078,f=-2.1!) USER MOD Single : A 25 ASN : amide:sc= -1.03 X(o=-1,f=-1.4!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0736 X(o=-0.074,f=-0.074) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.704 K(o=-0.7,f=-5!) USER MOD Single : A 39 SER OG : rot 74:sc= 0.719 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.674 K(o=-0.67,f=-5.2!) USER MOD Single : A 46 ASN : amide:sc= -0.627 K(o=-0.63,f=-5.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 48 TYR OH : rot 0:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= -0.0412 (180deg=-0.398) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -166:sc=-0.00639 (180deg=-0.169) USER MOD Single : A 63 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.8!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N CYS A 13 13.404 -2.392 -11.643 1.00 0.00 N ATOM 211 CA CYS A 13 12.922 -3.239 -12.744 1.00 0.00 C ATOM 212 C CYS A 13 13.829 -4.443 -12.986 1.00 0.00 C ATOM 213 O CYS A 13 14.581 -4.478 -13.959 1.00 0.00 O ATOM 214 CB CYS A 13 12.827 -2.412 -14.027 1.00 0.00 C ATOM 215 SG CYS A 13 11.363 -1.352 -13.954 1.00 0.00 S ATOM 0 HA CYS A 13 11.939 -3.614 -12.460 1.00 0.00 H new ATOM 0 HB2 CYS A 13 13.724 -1.804 -14.148 1.00 0.00 H new ATOM 0 HB3 CYS A 13 12.769 -3.071 -14.894 1.00 0.00 H new ATOM 220 N ASN A 14 13.754 -5.427 -12.096 1.00 0.00 N ATOM 221 CA ASN A 14 14.574 -6.625 -12.226 1.00 0.00 C ATOM 222 C ASN A 14 13.741 -7.794 -12.744 1.00 0.00 C ATOM 223 O ASN A 14 14.013 -8.951 -12.423 1.00 0.00 O ATOM 224 CB ASN A 14 15.187 -6.990 -10.872 1.00 0.00 C ATOM 225 CG ASN A 14 14.090 -7.126 -9.820 1.00 0.00 C ATOM 226 OD1 ASN A 14 13.012 -7.645 -10.108 1.00 0.00 O ATOM 227 ND2 ASN A 14 14.303 -6.687 -8.610 1.00 0.00 N ATOM 0 H ASN A 14 13.138 -5.419 -11.283 1.00 0.00 H new ATOM 0 HA ASN A 14 15.371 -6.419 -12.940 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.740 -7.925 -10.955 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.900 -6.224 -10.568 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.575 -6.774 -7.901 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.197 -6.257 -8.373 1.00 0.00 H new ATOM 234 N THR A 15 12.726 -7.486 -13.545 1.00 0.00 N ATOM 235 CA THR A 15 11.863 -8.523 -14.099 1.00 0.00 C ATOM 236 C THR A 15 11.336 -8.110 -15.470 1.00 0.00 C ATOM 237 O THR A 15 11.124 -6.926 -15.734 1.00 0.00 O ATOM 238 CB THR A 15 10.687 -8.785 -13.154 1.00 0.00 C ATOM 239 OG1 THR A 15 9.887 -9.836 -13.678 1.00 0.00 O ATOM 240 CG2 THR A 15 9.842 -7.517 -13.019 1.00 0.00 C ATOM 0 H THR A 15 12.482 -6.535 -13.823 1.00 0.00 H new ATOM 0 HA THR A 15 12.450 -9.435 -14.210 1.00 0.00 H new ATOM 0 HB THR A 15 11.067 -9.070 -12.173 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.134 -10.007 -13.074 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.006 -7.707 -12.346 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.456 -6.712 -12.616 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.461 -7.228 -13.998 1.00 0.00 H new ATOM 248 N ALA A 16 11.130 -9.094 -16.339 1.00 0.00 N ATOM 249 CA ALA A 16 10.632 -8.829 -17.685 1.00 0.00 C ATOM 250 C ALA A 16 9.293 -8.095 -17.642 1.00 0.00 C ATOM 251 O ALA A 16 8.894 -7.462 -18.619 1.00 0.00 O ATOM 252 CB ALA A 16 10.463 -10.147 -18.442 1.00 0.00 C ATOM 0 H ALA A 16 11.299 -10.079 -16.137 1.00 0.00 H new ATOM 0 HA ALA A 16 11.358 -8.197 -18.197 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.091 -9.945 -19.446 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.425 -10.655 -18.507 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.752 -10.782 -17.913 1.00 0.00 H new ATOM 258 N THR A 17 8.600 -8.186 -16.511 1.00 0.00 N ATOM 259 CA THR A 17 7.307 -7.528 -16.366 1.00 0.00 C ATOM 260 C THR A 17 7.443 -6.021 -16.566 1.00 0.00 C ATOM 261 O THR A 17 6.590 -5.389 -17.188 1.00 0.00 O ATOM 262 CB THR A 17 6.727 -7.811 -14.979 1.00 0.00 C ATOM 263 OG1 THR A 17 6.542 -9.211 -14.822 1.00 0.00 O ATOM 264 CG2 THR A 17 5.382 -7.097 -14.831 1.00 0.00 C ATOM 0 H THR A 17 8.909 -8.704 -15.689 1.00 0.00 H new ATOM 0 HA THR A 17 6.635 -7.923 -17.128 1.00 0.00 H new ATOM 0 HB THR A 17 7.415 -7.447 -14.216 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.172 -9.394 -13.933 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.970 -7.299 -13.843 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.525 -6.023 -14.952 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.692 -7.459 -15.593 1.00 0.00 H new ATOM 272 N CYS A 18 8.520 -5.451 -16.034 1.00 0.00 N ATOM 273 CA CYS A 18 8.752 -4.017 -16.162 1.00 0.00 C ATOM 274 C CYS A 18 8.834 -3.614 -17.631 1.00 0.00 C ATOM 275 O CYS A 18 8.255 -2.609 -18.041 1.00 0.00 O ATOM 276 CB CYS A 18 10.051 -3.630 -15.453 1.00 0.00 C ATOM 277 SG CYS A 18 10.313 -1.846 -15.608 1.00 0.00 S ATOM 0 H CYS A 18 9.239 -5.955 -15.515 1.00 0.00 H new ATOM 0 HA CYS A 18 7.916 -3.493 -15.699 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.002 -3.911 -14.401 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.891 -4.171 -15.889 1.00 0.00 H new ATOM 282 N ALA A 19 9.559 -4.401 -18.418 1.00 0.00 N ATOM 283 CA ALA A 19 9.709 -4.111 -19.839 1.00 0.00 C ATOM 284 C ALA A 19 8.353 -4.138 -20.539 1.00 0.00 C ATOM 285 O ALA A 19 8.065 -3.297 -21.390 1.00 0.00 O ATOM 286 CB ALA A 19 10.638 -5.141 -20.486 1.00 0.00 C ATOM 0 H ALA A 19 10.048 -5.238 -18.100 1.00 0.00 H new ATOM 0 HA ALA A 19 10.139 -3.115 -19.943 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.745 -4.918 -21.548 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.616 -5.101 -20.006 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.215 -6.138 -20.366 1.00 0.00 H new ATOM 292 N THR A 20 7.535 -5.120 -20.184 1.00 0.00 N ATOM 293 CA THR A 20 6.215 -5.269 -20.789 1.00 0.00 C ATOM 294 C THR A 20 5.341 -4.036 -20.553 1.00 0.00 C ATOM 295 O THR A 20 4.677 -3.556 -21.472 1.00 0.00 O ATOM 296 CB THR A 20 5.518 -6.501 -20.207 1.00 0.00 C ATOM 297 OG1 THR A 20 6.285 -7.660 -20.505 1.00 0.00 O ATOM 298 CG2 THR A 20 4.124 -6.638 -20.819 1.00 0.00 C ATOM 0 H THR A 20 7.760 -5.825 -19.482 1.00 0.00 H new ATOM 0 HA THR A 20 6.354 -5.386 -21.864 1.00 0.00 H new ATOM 0 HB THR A 20 5.427 -6.392 -19.126 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.093 -7.669 -19.950 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.629 -7.516 -20.404 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.537 -5.748 -20.590 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.210 -6.748 -21.900 1.00 0.00 H new ATOM 306 N GLN A 21 5.323 -3.541 -19.319 1.00 0.00 N ATOM 307 CA GLN A 21 4.498 -2.380 -18.988 1.00 0.00 C ATOM 308 C GLN A 21 5.149 -1.073 -19.443 1.00 0.00 C ATOM 309 O GLN A 21 4.453 -0.107 -19.755 1.00 0.00 O ATOM 310 CB GLN A 21 4.241 -2.335 -17.478 1.00 0.00 C ATOM 311 CG GLN A 21 5.320 -1.498 -16.786 1.00 0.00 C ATOM 312 CD GLN A 21 5.267 -1.725 -15.279 1.00 0.00 C ATOM 313 OE1 GLN A 21 4.596 -2.646 -14.813 1.00 0.00 O ATOM 314 NE2 GLN A 21 5.938 -0.936 -14.485 1.00 0.00 N ATOM 0 H GLN A 21 5.862 -3.918 -18.540 1.00 0.00 H new ATOM 0 HA GLN A 21 3.552 -2.484 -19.519 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.257 -1.909 -17.281 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.238 -3.346 -17.071 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.304 -1.769 -17.169 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.171 -0.441 -17.009 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.493 -0.174 -14.874 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.907 -1.082 -13.476 1.00 0.00 H new ATOM 323 N ARG A 22 6.477 -1.039 -19.475 1.00 0.00 N ATOM 324 CA ARG A 22 7.184 0.170 -19.889 1.00 0.00 C ATOM 325 C ARG A 22 7.281 0.259 -21.411 1.00 0.00 C ATOM 326 O ARG A 22 7.450 1.345 -21.966 1.00 0.00 O ATOM 327 CB ARG A 22 8.586 0.208 -19.259 1.00 0.00 C ATOM 328 CG ARG A 22 9.586 -0.588 -20.105 1.00 0.00 C ATOM 329 CD ARG A 22 10.302 0.352 -21.078 1.00 0.00 C ATOM 330 NE ARG A 22 11.681 0.568 -20.649 1.00 0.00 N ATOM 331 CZ ARG A 22 12.634 -0.340 -20.865 1.00 0.00 C ATOM 332 NH1 ARG A 22 12.361 -1.467 -21.474 1.00 0.00 N ATOM 333 NH2 ARG A 22 13.853 -0.103 -20.464 1.00 0.00 N ATOM 0 H ARG A 22 7.080 -1.822 -19.223 1.00 0.00 H new ATOM 0 HA ARG A 22 6.616 1.032 -19.538 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.921 1.241 -19.169 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.547 -0.204 -18.251 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.313 -1.080 -19.459 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.067 -1.372 -20.657 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.288 -0.073 -22.082 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.776 1.305 -21.128 1.00 0.00 H new ATOM 0 HE ARG A 22 11.922 1.436 -20.171 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.410 -1.659 -21.789 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.099 -2.153 -21.633 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.072 0.772 -19.989 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.586 -0.793 -20.626 1.00 0.00 H new ATOM 347 N LEU A 23 7.173 -0.883 -22.081 1.00 0.00 N ATOM 348 CA LEU A 23 7.252 -0.908 -23.537 1.00 0.00 C ATOM 349 C LEU A 23 5.896 -0.580 -24.152 1.00 0.00 C ATOM 350 O LEU A 23 5.811 0.158 -25.134 1.00 0.00 O ATOM 351 CB LEU A 23 7.713 -2.290 -24.012 1.00 0.00 C ATOM 352 CG LEU A 23 7.853 -2.299 -25.538 1.00 0.00 C ATOM 353 CD1 LEU A 23 8.980 -1.353 -25.959 1.00 0.00 C ATOM 354 CD2 LEU A 23 8.179 -3.719 -26.007 1.00 0.00 C ATOM 0 H LEU A 23 7.032 -1.794 -21.645 1.00 0.00 H new ATOM 0 HA LEU A 23 7.974 -0.156 -23.857 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.667 -2.543 -23.549 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.996 -3.049 -23.700 1.00 0.00 H new ATOM 0 HG LEU A 23 6.918 -1.968 -25.990 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.076 -1.362 -27.045 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.750 -0.342 -25.624 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.917 -1.680 -25.509 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.279 -3.730 -27.092 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.114 -4.046 -25.553 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.376 -4.394 -25.710 1.00 0.00 H new ATOM 366 N ALA A 24 4.839 -1.139 -23.574 1.00 0.00 N ATOM 367 CA ALA A 24 3.492 -0.906 -24.079 1.00 0.00 C ATOM 368 C ALA A 24 3.149 0.581 -24.047 1.00 0.00 C ATOM 369 O ALA A 24 2.581 1.112 -25.000 1.00 0.00 O ATOM 370 CB ALA A 24 2.478 -1.682 -23.238 1.00 0.00 C ATOM 0 H ALA A 24 4.888 -1.753 -22.761 1.00 0.00 H new ATOM 0 HA ALA A 24 3.451 -1.251 -25.112 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.474 -1.503 -23.622 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.701 -2.748 -23.290 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.535 -1.350 -22.201 1.00 0.00 H new ATOM 376 N ASN A 25 3.494 1.246 -22.949 1.00 0.00 N ATOM 377 CA ASN A 25 3.211 2.671 -22.809 1.00 0.00 C ATOM 378 C ASN A 25 3.959 3.483 -23.862 1.00 0.00 C ATOM 379 O ASN A 25 3.428 4.452 -24.406 1.00 0.00 O ATOM 380 CB ASN A 25 3.624 3.145 -21.414 1.00 0.00 C ATOM 381 CG ASN A 25 2.666 2.588 -20.368 1.00 0.00 C ATOM 382 OD1 ASN A 25 3.099 1.983 -19.387 1.00 0.00 O ATOM 383 ND2 ASN A 25 1.380 2.756 -20.518 1.00 0.00 N ATOM 0 H ASN A 25 3.966 0.826 -22.149 1.00 0.00 H new ATOM 0 HA ASN A 25 2.141 2.822 -22.950 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.641 2.819 -21.197 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.623 4.234 -21.376 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.733 2.386 -19.822 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.023 3.257 -21.331 1.00 0.00 H new ATOM 390 N PHE A 26 5.196 3.089 -24.137 1.00 0.00 N ATOM 391 CA PHE A 26 6.012 3.793 -25.119 1.00 0.00 C ATOM 392 C PHE A 26 5.429 3.650 -26.524 1.00 0.00 C ATOM 393 O PHE A 26 5.446 4.596 -27.310 1.00 0.00 O ATOM 394 CB PHE A 26 7.440 3.243 -25.100 1.00 0.00 C ATOM 395 CG PHE A 26 8.293 4.019 -26.075 1.00 0.00 C ATOM 396 CD1 PHE A 26 8.799 5.274 -25.716 1.00 0.00 C ATOM 397 CD2 PHE A 26 8.577 3.484 -27.336 1.00 0.00 C ATOM 398 CE1 PHE A 26 9.590 5.994 -26.620 1.00 0.00 C ATOM 399 CE2 PHE A 26 9.368 4.203 -28.240 1.00 0.00 C ATOM 400 CZ PHE A 26 9.874 5.458 -27.882 1.00 0.00 C ATOM 0 H PHE A 26 5.654 2.291 -23.697 1.00 0.00 H new ATOM 0 HA PHE A 26 6.021 4.850 -24.855 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.857 3.319 -24.096 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.437 2.186 -25.365 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.579 5.687 -24.742 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.186 2.516 -27.612 1.00 0.00 H new ATOM 0 HE1 PHE A 26 9.981 6.962 -26.344 1.00 0.00 H new ATOM 0 HE2 PHE A 26 9.588 3.790 -29.213 1.00 0.00 H new ATOM 0 HZ PHE A 26 10.484 6.013 -28.579 1.00 0.00 H new ATOM 410 N LEU A 27 4.929 2.459 -26.839 1.00 0.00 N ATOM 411 CA LEU A 27 4.361 2.205 -28.159 1.00 0.00 C ATOM 412 C LEU A 27 3.099 3.040 -28.376 1.00 0.00 C ATOM 413 O LEU A 27 2.975 3.742 -29.379 1.00 0.00 O ATOM 414 CB LEU A 27 4.048 0.700 -28.292 1.00 0.00 C ATOM 415 CG LEU A 27 3.443 0.332 -29.668 1.00 0.00 C ATOM 416 CD1 LEU A 27 1.922 0.559 -29.668 1.00 0.00 C ATOM 417 CD2 LEU A 27 4.095 1.149 -30.796 1.00 0.00 C ATOM 0 H LEU A 27 4.905 1.661 -26.205 1.00 0.00 H new ATOM 0 HA LEU A 27 5.083 2.493 -28.923 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.963 0.128 -28.138 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.353 0.407 -27.505 1.00 0.00 H new ATOM 0 HG LEU A 27 3.644 -0.724 -29.847 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.515 0.295 -30.644 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.461 -0.064 -28.902 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.711 1.608 -29.458 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.651 0.870 -31.751 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.932 2.212 -30.617 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.166 0.946 -30.821 1.00 0.00 H new ATOM 429 N VAL A 28 2.160 2.959 -27.437 1.00 0.00 N ATOM 430 CA VAL A 28 0.913 3.710 -27.558 1.00 0.00 C ATOM 431 C VAL A 28 1.179 5.210 -27.647 1.00 0.00 C ATOM 432 O VAL A 28 0.339 5.967 -28.134 1.00 0.00 O ATOM 433 CB VAL A 28 0.007 3.427 -26.357 1.00 0.00 C ATOM 434 CG1 VAL A 28 -0.342 1.938 -26.317 1.00 0.00 C ATOM 435 CG2 VAL A 28 0.725 3.819 -25.064 1.00 0.00 C ATOM 0 H VAL A 28 2.236 2.389 -26.594 1.00 0.00 H new ATOM 0 HA VAL A 28 0.419 3.388 -28.475 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.908 4.012 -26.452 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.987 1.738 -25.461 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.861 1.661 -27.235 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.573 1.352 -26.226 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.076 3.616 -24.212 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.643 3.239 -24.968 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.968 4.881 -25.090 1.00 0.00 H new ATOM 445 N HIS A 29 2.344 5.637 -27.170 1.00 0.00 N ATOM 446 CA HIS A 29 2.688 7.054 -27.200 1.00 0.00 C ATOM 447 C HIS A 29 3.533 7.382 -28.426 1.00 0.00 C ATOM 448 O HIS A 29 3.543 8.517 -28.901 1.00 0.00 O ATOM 449 CB HIS A 29 3.459 7.432 -25.934 1.00 0.00 C ATOM 450 CG HIS A 29 3.858 8.880 -26.004 1.00 0.00 C ATOM 451 ND1 HIS A 29 2.938 9.908 -25.872 1.00 0.00 N ATOM 452 CD2 HIS A 29 5.075 9.488 -26.194 1.00 0.00 C ATOM 453 CE1 HIS A 29 3.608 11.069 -25.983 1.00 0.00 C ATOM 454 NE2 HIS A 29 4.914 10.870 -26.180 1.00 0.00 N ATOM 0 H HIS A 29 3.057 5.032 -26.763 1.00 0.00 H new ATOM 0 HA HIS A 29 1.762 7.627 -27.250 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.842 7.256 -25.053 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.344 6.804 -25.833 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.014 8.972 -26.333 1.00 0.00 H new ATOM 0 HE1 HIS A 29 3.146 12.043 -25.920 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.638 11.579 -26.295 1.00 0.00 H new ATOM 463 N SER A 30 4.246 6.380 -28.929 1.00 0.00 N ATOM 464 CA SER A 30 5.100 6.567 -30.097 1.00 0.00 C ATOM 465 C SER A 30 4.427 6.039 -31.361 1.00 0.00 C ATOM 466 O SER A 30 5.092 5.786 -32.365 1.00 0.00 O ATOM 467 CB SER A 30 6.431 5.844 -29.888 1.00 0.00 C ATOM 468 OG SER A 30 7.327 6.197 -30.933 1.00 0.00 O ATOM 0 H SER A 30 4.250 5.434 -28.548 1.00 0.00 H new ATOM 0 HA SER A 30 5.276 7.636 -30.220 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.857 6.114 -28.922 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.274 4.765 -29.877 1.00 0.00 H new ATOM 0 HG SER A 30 8.182 5.736 -30.801 1.00 0.00 H new ATOM 474 N SER A 31 3.107 5.879 -31.314 1.00 0.00 N ATOM 475 CA SER A 31 2.374 5.386 -32.473 1.00 0.00 C ATOM 476 C SER A 31 2.700 6.233 -33.699 1.00 0.00 C ATOM 477 O SER A 31 3.057 5.708 -34.754 1.00 0.00 O ATOM 478 CB SER A 31 0.870 5.439 -32.199 1.00 0.00 C ATOM 479 OG SER A 31 0.167 5.010 -33.357 1.00 0.00 O ATOM 0 H SER A 31 2.531 6.081 -30.497 1.00 0.00 H new ATOM 0 HA SER A 31 2.670 4.354 -32.663 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.620 4.801 -31.351 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.572 6.453 -31.934 1.00 0.00 H new ATOM 0 HG SER A 31 -0.797 5.041 -33.185 1.00 0.00 H new ATOM 485 N ASN A 32 2.573 7.547 -33.546 1.00 0.00 N ATOM 486 CA ASN A 32 2.854 8.472 -34.639 1.00 0.00 C ATOM 487 C ASN A 32 4.188 8.135 -35.296 1.00 0.00 C ATOM 488 O ASN A 32 4.265 7.955 -36.511 1.00 0.00 O ATOM 489 CB ASN A 32 2.890 9.909 -34.112 1.00 0.00 C ATOM 490 CG ASN A 32 3.691 9.972 -32.816 1.00 0.00 C ATOM 491 OD1 ASN A 32 3.277 9.414 -31.800 1.00 0.00 O ATOM 492 ND2 ASN A 32 4.822 10.623 -32.790 1.00 0.00 N ATOM 0 H ASN A 32 2.278 7.995 -32.678 1.00 0.00 H new ATOM 0 HA ASN A 32 2.062 8.378 -35.382 1.00 0.00 H new ATOM 0 HB2 ASN A 32 3.337 10.567 -34.857 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.875 10.267 -33.939 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.364 10.670 -31.927 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.164 11.085 -33.633 1.00 0.00 H new ATOM 499 N ASN A 33 5.235 8.050 -34.484 1.00 0.00 N ATOM 500 CA ASN A 33 6.563 7.732 -34.994 1.00 0.00 C ATOM 501 C ASN A 33 6.567 6.364 -35.669 1.00 0.00 C ATOM 502 O ASN A 33 7.191 6.185 -36.715 1.00 0.00 O ATOM 503 CB ASN A 33 7.581 7.745 -33.852 1.00 0.00 C ATOM 504 CG ASN A 33 7.824 9.177 -33.386 1.00 0.00 C ATOM 505 OD1 ASN A 33 7.528 10.125 -34.113 1.00 0.00 O ATOM 506 ND2 ASN A 33 8.348 9.390 -32.211 1.00 0.00 N ATOM 0 H ASN A 33 5.191 8.196 -33.475 1.00 0.00 H new ATOM 0 HA ASN A 33 6.837 8.487 -35.731 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.216 7.141 -33.022 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.518 7.298 -34.184 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.514 10.345 -31.892 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.592 8.602 -31.611 1.00 0.00 H new ATOM 513 N PHE A 34 5.874 5.401 -35.071 1.00 0.00 N ATOM 514 CA PHE A 34 5.820 4.059 -35.639 1.00 0.00 C ATOM 515 C PHE A 34 5.310 4.110 -37.076 1.00 0.00 C ATOM 516 O PHE A 34 5.805 3.394 -37.946 1.00 0.00 O ATOM 517 CB PHE A 34 4.901 3.169 -34.798 1.00 0.00 C ATOM 518 CG PHE A 34 4.911 1.765 -35.355 1.00 0.00 C ATOM 519 CD1 PHE A 34 5.961 0.894 -35.040 1.00 0.00 C ATOM 520 CD2 PHE A 34 3.871 1.335 -36.188 1.00 0.00 C ATOM 521 CE1 PHE A 34 5.971 -0.407 -35.557 1.00 0.00 C ATOM 522 CE2 PHE A 34 3.881 0.034 -36.705 1.00 0.00 C ATOM 523 CZ PHE A 34 4.930 -0.837 -36.389 1.00 0.00 C ATOM 0 H PHE A 34 5.349 5.521 -34.205 1.00 0.00 H new ATOM 0 HA PHE A 34 6.827 3.641 -35.636 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.234 3.162 -33.760 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.886 3.567 -34.805 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.764 1.226 -34.398 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.061 2.007 -36.432 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.781 -1.079 -35.314 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.079 -0.298 -37.348 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.937 -1.841 -36.787 1.00 0.00 H new ATOM 533 N GLY A 35 4.324 4.967 -37.317 1.00 0.00 N ATOM 534 CA GLY A 35 3.760 5.110 -38.655 1.00 0.00 C ATOM 535 C GLY A 35 4.829 5.571 -39.639 1.00 0.00 C ATOM 536 O GLY A 35 4.889 5.101 -40.775 1.00 0.00 O ATOM 0 H GLY A 35 3.901 5.569 -36.610 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.341 4.159 -38.983 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.941 5.829 -38.636 1.00 0.00 H new ATOM 540 N ALA A 36 5.667 6.500 -39.192 1.00 0.00 N ATOM 541 CA ALA A 36 6.732 7.031 -40.035 1.00 0.00 C ATOM 542 C ALA A 36 7.648 5.911 -40.518 1.00 0.00 C ATOM 543 O ALA A 36 8.023 5.866 -41.689 1.00 0.00 O ATOM 544 CB ALA A 36 7.551 8.060 -39.254 1.00 0.00 C ATOM 0 H ALA A 36 5.630 6.900 -38.254 1.00 0.00 H new ATOM 0 HA ALA A 36 6.276 7.509 -40.902 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.345 8.452 -39.890 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.902 8.877 -38.938 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.991 7.585 -38.377 1.00 0.00 H new ATOM 550 N ILE A 37 8.003 5.008 -39.610 1.00 0.00 N ATOM 551 CA ILE A 37 8.875 3.891 -39.960 1.00 0.00 C ATOM 552 C ILE A 37 8.164 2.926 -40.905 1.00 0.00 C ATOM 553 O ILE A 37 8.746 2.464 -41.886 1.00 0.00 O ATOM 554 CB ILE A 37 9.311 3.147 -38.697 1.00 0.00 C ATOM 555 CG1 ILE A 37 10.290 4.015 -37.902 1.00 0.00 C ATOM 556 CG2 ILE A 37 9.997 1.837 -39.088 1.00 0.00 C ATOM 557 CD1 ILE A 37 10.488 3.415 -36.509 1.00 0.00 C ATOM 0 H ILE A 37 7.704 5.026 -38.635 1.00 0.00 H new ATOM 0 HA ILE A 37 9.755 4.291 -40.465 1.00 0.00 H new ATOM 0 HB ILE A 37 8.436 2.932 -38.084 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.246 4.075 -38.423 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.907 5.032 -37.820 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.308 1.306 -38.188 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.301 1.217 -39.653 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.871 2.053 -39.702 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.185 4.033 -35.943 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.531 3.378 -35.989 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.890 2.406 -36.601 1.00 0.00 H new ATOM 569 N LEU A 38 6.906 2.622 -40.604 1.00 0.00 N ATOM 570 CA LEU A 38 6.134 1.705 -41.436 1.00 0.00 C ATOM 571 C LEU A 38 6.047 2.229 -42.867 1.00 0.00 C ATOM 572 O LEU A 38 6.288 1.495 -43.824 1.00 0.00 O ATOM 573 CB LEU A 38 4.724 1.543 -40.858 1.00 0.00 C ATOM 574 CG LEU A 38 3.910 0.575 -41.723 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.542 -0.817 -41.677 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.479 0.499 -41.185 1.00 0.00 C ATOM 0 H LEU A 38 6.403 2.993 -39.798 1.00 0.00 H new ATOM 0 HA LEU A 38 6.635 0.737 -41.447 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.782 1.169 -39.836 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.226 2.512 -40.815 1.00 0.00 H new ATOM 0 HG LEU A 38 3.900 0.932 -42.753 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.960 -1.502 -42.294 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.563 -0.766 -42.056 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.555 -1.177 -40.648 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.896 -0.189 -41.798 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.496 0.142 -40.155 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.025 1.489 -41.219 1.00 0.00 H new ATOM 588 N SER A 39 5.692 3.501 -43.001 1.00 0.00 N ATOM 589 CA SER A 39 5.564 4.117 -44.317 1.00 0.00 C ATOM 590 C SER A 39 6.796 3.829 -45.171 1.00 0.00 C ATOM 591 O SER A 39 6.702 3.715 -46.393 1.00 0.00 O ATOM 592 CB SER A 39 5.385 5.628 -44.170 1.00 0.00 C ATOM 593 OG SER A 39 4.176 5.892 -43.471 1.00 0.00 O ATOM 0 H SER A 39 5.488 4.124 -42.219 1.00 0.00 H new ATOM 0 HA SER A 39 4.690 3.693 -44.810 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.231 6.055 -43.631 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.361 6.100 -45.152 1.00 0.00 H new ATOM 0 HG SER A 39 4.292 5.674 -42.523 1.00 0.00 H new ATOM 599 N SER A 40 7.949 3.717 -44.519 1.00 0.00 N ATOM 600 CA SER A 40 9.194 3.447 -45.229 1.00 0.00 C ATOM 601 C SER A 40 9.500 1.952 -45.239 1.00 0.00 C ATOM 602 O SER A 40 10.660 1.547 -45.158 1.00 0.00 O ATOM 603 CB SER A 40 10.347 4.200 -44.565 1.00 0.00 C ATOM 604 OG SER A 40 10.221 5.589 -44.839 1.00 0.00 O ATOM 0 H SER A 40 8.047 3.808 -43.508 1.00 0.00 H new ATOM 0 HA SER A 40 9.080 3.787 -46.258 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.337 4.028 -43.489 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.302 3.829 -44.938 1.00 0.00 H new ATOM 0 HG SER A 40 10.958 6.075 -44.413 1.00 0.00 H new ATOM 610 N THR A 41 8.455 1.136 -45.339 1.00 0.00 N ATOM 611 CA THR A 41 8.631 -0.313 -45.358 1.00 0.00 C ATOM 612 C THR A 41 8.766 -0.822 -46.790 1.00 0.00 C ATOM 613 O THR A 41 8.334 -1.930 -47.108 1.00 0.00 O ATOM 614 CB THR A 41 7.438 -0.995 -44.683 1.00 0.00 C ATOM 615 OG1 THR A 41 7.694 -2.388 -44.572 1.00 0.00 O ATOM 616 CG2 THR A 41 6.173 -0.771 -45.516 1.00 0.00 C ATOM 0 H THR A 41 7.487 1.449 -45.408 1.00 0.00 H new ATOM 0 HA THR A 41 9.544 -0.553 -44.813 1.00 0.00 H new ATOM 0 HB THR A 41 7.292 -0.569 -43.690 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.921 -2.750 -45.454 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.327 -1.258 -45.031 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.977 0.298 -45.599 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.313 -1.193 -46.511 1.00 0.00 H new ATOM 624 N ASN A 42 9.370 -0.008 -47.651 1.00 0.00 N ATOM 625 CA ASN A 42 9.557 -0.392 -49.046 1.00 0.00 C ATOM 626 C ASN A 42 10.849 -1.189 -49.228 1.00 0.00 C ATOM 627 O ASN A 42 11.318 -1.373 -50.352 1.00 0.00 O ATOM 628 CB ASN A 42 9.600 0.858 -49.928 1.00 0.00 C ATOM 629 CG ASN A 42 10.855 1.668 -49.623 1.00 0.00 C ATOM 630 OD1 ASN A 42 11.545 1.400 -48.640 1.00 0.00 O ATOM 631 ND2 ASN A 42 11.193 2.651 -50.413 1.00 0.00 N ATOM 0 H ASN A 42 9.735 0.913 -47.410 1.00 0.00 H new ATOM 0 HA ASN A 42 8.717 -1.022 -49.340 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.589 0.572 -50.980 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.713 1.467 -49.754 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.031 3.199 -50.216 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.619 2.871 -51.227 1.00 0.00 H new ATOM 638 N VAL A 43 11.420 -1.662 -48.122 1.00 0.00 N ATOM 639 CA VAL A 43 12.654 -2.437 -48.185 1.00 0.00 C ATOM 640 C VAL A 43 12.429 -3.754 -48.924 1.00 0.00 C ATOM 641 O VAL A 43 13.370 -4.352 -49.445 1.00 0.00 O ATOM 642 CB VAL A 43 13.160 -2.725 -46.770 1.00 0.00 C ATOM 643 CG1 VAL A 43 12.216 -3.713 -46.082 1.00 0.00 C ATOM 644 CG2 VAL A 43 14.564 -3.330 -46.845 1.00 0.00 C ATOM 0 H VAL A 43 11.051 -1.523 -47.181 1.00 0.00 H new ATOM 0 HA VAL A 43 13.398 -1.854 -48.728 1.00 0.00 H new ATOM 0 HB VAL A 43 13.193 -1.797 -46.200 1.00 0.00 H new ATOM 0 HG11 VAL A 43 12.576 -3.918 -45.074 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.215 -3.284 -46.029 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.183 -4.642 -46.652 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.926 -3.536 -45.838 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.530 -4.258 -47.415 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.237 -2.627 -47.336 1.00 0.00 H new ATOM 654 N GLY A 44 11.177 -4.203 -48.963 1.00 0.00 N ATOM 655 CA GLY A 44 10.845 -5.452 -49.639 1.00 0.00 C ATOM 656 C GLY A 44 9.665 -6.148 -48.963 1.00 0.00 C ATOM 657 O GLY A 44 9.029 -7.021 -49.554 1.00 0.00 O ATOM 0 H GLY A 44 10.383 -3.725 -48.538 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.603 -5.251 -50.683 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.712 -6.113 -49.635 1.00 0.00 H new ATOM 661 N SER A 45 9.374 -5.757 -47.724 1.00 0.00 N ATOM 662 CA SER A 45 8.267 -6.353 -46.985 1.00 0.00 C ATOM 663 C SER A 45 6.990 -5.542 -47.187 1.00 0.00 C ATOM 664 O SER A 45 6.105 -5.538 -46.331 1.00 0.00 O ATOM 665 CB SER A 45 8.606 -6.413 -45.496 1.00 0.00 C ATOM 666 OG SER A 45 8.814 -5.094 -45.008 1.00 0.00 O ATOM 0 H SER A 45 9.886 -5.036 -47.215 1.00 0.00 H new ATOM 0 HA SER A 45 8.105 -7.363 -47.361 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.797 -6.893 -44.946 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.500 -7.016 -45.339 1.00 0.00 H new ATOM 0 HG SER A 45 9.030 -5.129 -44.053 1.00 0.00 H new ATOM 672 N ASN A 46 6.903 -4.856 -48.322 1.00 0.00 N ATOM 673 CA ASN A 46 5.730 -4.043 -48.626 1.00 0.00 C ATOM 674 C ASN A 46 4.708 -4.851 -49.419 1.00 0.00 C ATOM 675 O ASN A 46 3.905 -4.291 -50.165 1.00 0.00 O ATOM 676 CB ASN A 46 6.144 -2.810 -49.431 1.00 0.00 C ATOM 677 CG ASN A 46 6.642 -3.230 -50.809 1.00 0.00 C ATOM 678 OD1 ASN A 46 6.869 -4.415 -51.053 1.00 0.00 O ATOM 679 ND2 ASN A 46 6.827 -2.324 -51.730 1.00 0.00 N ATOM 0 H ASN A 46 7.625 -4.846 -49.042 1.00 0.00 H new ATOM 0 HA ASN A 46 5.276 -3.728 -47.686 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.298 -2.131 -49.533 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.927 -2.266 -48.902 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.160 -2.597 -52.654 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.638 -1.343 -51.525 1.00 0.00 H new ATOM 686 N THR A 47 4.743 -6.169 -49.253 1.00 0.00 N ATOM 687 CA THR A 47 3.814 -7.044 -49.959 1.00 0.00 C ATOM 688 C THR A 47 2.567 -7.298 -49.117 1.00 0.00 C ATOM 689 O THR A 47 1.928 -8.343 -49.237 1.00 0.00 O ATOM 690 CB THR A 47 4.494 -8.377 -50.281 1.00 0.00 C ATOM 691 OG1 THR A 47 5.882 -8.279 -49.993 1.00 0.00 O ATOM 692 CG2 THR A 47 4.299 -8.707 -51.762 1.00 0.00 C ATOM 0 H THR A 47 5.400 -6.652 -48.640 1.00 0.00 H new ATOM 0 HA THR A 47 3.518 -6.553 -50.886 1.00 0.00 H new ATOM 0 HB THR A 47 4.052 -9.168 -49.675 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.319 -9.132 -50.197 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.784 -9.656 -51.990 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.234 -8.781 -51.981 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.740 -7.919 -52.372 1.00 0.00 H new ATOM 700 N TYR A 48 2.227 -6.336 -48.264 1.00 0.00 N ATOM 701 CA TYR A 48 1.055 -6.466 -47.407 1.00 0.00 C ATOM 702 C TYR A 48 0.029 -5.382 -47.728 1.00 0.00 C ATOM 703 O TYR A 48 -0.799 -5.029 -46.889 1.00 0.00 O ATOM 704 CB TYR A 48 1.470 -6.366 -45.936 1.00 0.00 C ATOM 705 CG TYR A 48 1.768 -4.927 -45.585 1.00 0.00 C ATOM 706 CD1 TYR A 48 0.883 -4.206 -44.774 1.00 0.00 C ATOM 707 CD2 TYR A 48 2.930 -4.314 -46.068 1.00 0.00 C ATOM 708 CE1 TYR A 48 1.159 -2.873 -44.448 1.00 0.00 C ATOM 709 CE2 TYR A 48 3.206 -2.980 -45.742 1.00 0.00 C ATOM 710 CZ TYR A 48 2.320 -2.260 -44.932 1.00 0.00 C ATOM 711 OH TYR A 48 2.592 -0.946 -44.610 1.00 0.00 O ATOM 0 H TYR A 48 2.743 -5.464 -48.149 1.00 0.00 H new ATOM 0 HA TYR A 48 0.601 -7.440 -47.590 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.674 -6.748 -45.297 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.349 -6.984 -45.754 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.013 -4.679 -44.400 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.614 -4.870 -46.692 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.476 -2.318 -43.823 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.102 -2.507 -46.116 1.00 0.00 H new ATOM 0 HH TYR A 48 1.876 -0.594 -44.041 1.00 0.00 H new ATOM 721 N GLY A 49 0.087 -4.859 -48.950 1.00 0.00 N ATOM 722 CA GLY A 49 -0.843 -3.817 -49.368 1.00 0.00 C ATOM 723 C GLY A 49 -2.288 -4.268 -49.184 1.00 0.00 C ATOM 724 O GLY A 49 -2.608 -5.445 -49.350 1.00 0.00 O ATOM 0 H GLY A 49 0.762 -5.137 -49.662 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.664 -2.911 -48.788 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.667 -3.566 -50.414 1.00 0.00 H new ATOM 728 N LYS A 50 -3.157 -3.323 -48.838 1.00 0.00 N ATOM 729 CA LYS A 50 -4.567 -3.632 -48.631 1.00 0.00 C ATOM 730 C LYS A 50 -5.204 -4.137 -49.922 1.00 0.00 C ATOM 731 O LYS A 50 -6.043 -5.038 -49.900 1.00 0.00 O ATOM 732 CB LYS A 50 -5.309 -2.384 -48.147 1.00 0.00 C ATOM 733 CG LYS A 50 -4.919 -2.090 -46.697 1.00 0.00 C ATOM 734 CD LYS A 50 -5.669 -0.850 -46.207 1.00 0.00 C ATOM 735 CE LYS A 50 -4.883 0.407 -46.585 1.00 0.00 C ATOM 736 NZ LYS A 50 -3.678 0.519 -45.716 1.00 0.00 N ATOM 0 H LYS A 50 -2.911 -2.343 -48.696 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.640 -4.415 -47.876 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.063 -1.532 -48.781 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.386 -2.536 -48.222 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.157 -2.945 -46.065 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.843 -1.930 -46.624 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.664 -0.816 -46.650 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.802 -0.897 -45.126 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.586 0.362 -47.633 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.511 1.290 -46.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.386 1.515 -45.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.902 0.164 -44.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.904 -0.044 -46.122 1.00 0.00 H new ATOM 750 N ARG A 51 -4.803 -3.550 -51.045 1.00 0.00 N ATOM 751 CA ARG A 51 -5.345 -3.949 -52.340 1.00 0.00 C ATOM 752 C ARG A 51 -5.001 -5.404 -52.656 1.00 0.00 C ATOM 753 O ARG A 51 -5.618 -6.019 -53.525 1.00 0.00 O ATOM 754 CB ARG A 51 -4.789 -3.042 -53.441 1.00 0.00 C ATOM 755 CG ARG A 51 -3.309 -3.357 -53.672 1.00 0.00 C ATOM 756 CD ARG A 51 -2.712 -2.327 -54.632 1.00 0.00 C ATOM 757 NE ARG A 51 -1.321 -2.657 -54.928 1.00 0.00 N ATOM 758 CZ ARG A 51 -0.332 -2.357 -54.085 1.00 0.00 C ATOM 759 NH1 ARG A 51 -0.578 -1.752 -52.950 1.00 0.00 N ATOM 760 NH2 ARG A 51 0.897 -2.670 -54.395 1.00 0.00 N ATOM 0 H ARG A 51 -4.110 -2.802 -51.086 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.430 -3.851 -52.296 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.350 -3.189 -54.364 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.908 -1.996 -53.158 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.771 -3.341 -52.724 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.200 -4.360 -54.084 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.291 -2.302 -55.555 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.771 -1.332 -54.191 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.099 -3.130 -55.804 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.536 -1.504 -52.701 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.188 -1.529 -52.315 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.096 -3.141 -55.277 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.658 -2.443 -53.755 1.00 0.00 H new ATOM 774 N ASN A 52 -4.017 -5.953 -51.949 1.00 0.00 N ATOM 775 CA ASN A 52 -3.613 -7.336 -52.171 1.00 0.00 C ATOM 776 C ASN A 52 -4.645 -8.299 -51.592 1.00 0.00 C ATOM 777 O ASN A 52 -4.805 -9.418 -52.078 1.00 0.00 O ATOM 778 CB ASN A 52 -2.251 -7.597 -51.526 1.00 0.00 C ATOM 779 CG ASN A 52 -1.808 -9.028 -51.809 1.00 0.00 C ATOM 780 OD1 ASN A 52 -1.445 -9.355 -52.939 1.00 0.00 O ATOM 781 ND2 ASN A 52 -1.819 -9.907 -50.845 1.00 0.00 N ATOM 0 H ASN A 52 -3.490 -5.466 -51.224 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.542 -7.502 -53.246 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.514 -6.895 -51.916 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.311 -7.432 -50.450 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.526 -10.867 -51.027 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.120 -9.634 -49.909 1.00 0.00 H new ATOM 788 N ALA A 53 -5.339 -7.858 -50.548 1.00 0.00 N ATOM 789 CA ALA A 53 -6.350 -8.692 -49.906 1.00 0.00 C ATOM 790 C ALA A 53 -7.433 -9.099 -50.901 1.00 0.00 C ATOM 791 O ALA A 53 -7.889 -10.242 -50.901 1.00 0.00 O ATOM 792 CB ALA A 53 -6.988 -7.930 -48.744 1.00 0.00 C ATOM 0 H ALA A 53 -5.222 -6.935 -50.130 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.863 -9.593 -49.533 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.742 -8.557 -48.268 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.221 -7.669 -48.015 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.457 -7.020 -49.119 1.00 0.00 H new ATOM 798 N VAL A 54 -7.847 -8.159 -51.743 1.00 0.00 N ATOM 799 CA VAL A 54 -8.884 -8.440 -52.730 1.00 0.00 C ATOM 800 C VAL A 54 -8.339 -9.318 -53.855 1.00 0.00 C ATOM 801 O VAL A 54 -9.076 -10.110 -54.441 1.00 0.00 O ATOM 802 CB VAL A 54 -9.443 -7.131 -53.301 1.00 0.00 C ATOM 803 CG1 VAL A 54 -8.669 -6.732 -54.559 1.00 0.00 C ATOM 804 CG2 VAL A 54 -10.920 -7.324 -53.654 1.00 0.00 C ATOM 0 H VAL A 54 -7.485 -7.205 -51.763 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.690 -8.981 -52.234 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.339 -6.343 -52.555 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.074 -5.801 -54.956 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.617 -6.593 -54.310 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.763 -7.518 -55.309 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -11.321 -6.396 -54.060 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -11.016 -8.116 -54.396 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -11.476 -7.598 -52.757 1.00 0.00 H new ATOM 814 N GLU A 55 -7.052 -9.176 -54.156 1.00 0.00 N ATOM 815 CA GLU A 55 -6.440 -9.969 -55.217 1.00 0.00 C ATOM 816 C GLU A 55 -6.477 -11.455 -54.868 1.00 0.00 C ATOM 817 O GLU A 55 -6.912 -12.278 -55.672 1.00 0.00 O ATOM 818 CB GLU A 55 -4.991 -9.526 -55.430 1.00 0.00 C ATOM 819 CG GLU A 55 -4.451 -10.142 -56.723 1.00 0.00 C ATOM 820 CD GLU A 55 -3.984 -11.573 -56.472 1.00 0.00 C ATOM 821 OE1 GLU A 55 -3.543 -11.847 -55.368 1.00 0.00 O ATOM 822 OE2 GLU A 55 -4.075 -12.373 -57.388 1.00 0.00 O ATOM 0 H GLU A 55 -6.419 -8.528 -53.687 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.006 -9.811 -56.135 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.936 -8.439 -55.483 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.377 -9.835 -54.584 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.226 -10.134 -57.489 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.623 -9.543 -57.101 1.00 0.00 H new ATOM 829 N VAL A 56 -6.016 -11.792 -53.667 1.00 0.00 N ATOM 830 CA VAL A 56 -6.004 -13.186 -53.234 1.00 0.00 C ATOM 831 C VAL A 56 -7.427 -13.692 -53.013 1.00 0.00 C ATOM 832 O VAL A 56 -7.747 -14.834 -53.346 1.00 0.00 O ATOM 833 CB VAL A 56 -5.190 -13.335 -51.945 1.00 0.00 C ATOM 834 CG1 VAL A 56 -5.817 -12.495 -50.831 1.00 0.00 C ATOM 835 CG2 VAL A 56 -5.174 -14.806 -51.523 1.00 0.00 C ATOM 0 H VAL A 56 -5.650 -11.129 -52.984 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.539 -13.784 -54.018 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.171 -12.991 -52.123 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.232 -12.607 -49.918 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.829 -11.446 -51.129 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.838 -12.832 -50.651 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.595 -14.915 -50.606 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.195 -15.146 -51.350 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.720 -15.406 -52.312 1.00 0.00 H new ATOM 845 N LEU A 57 -8.278 -12.839 -52.452 1.00 0.00 N ATOM 846 CA LEU A 57 -9.665 -13.212 -52.193 1.00 0.00 C ATOM 847 C LEU A 57 -10.336 -13.740 -53.457 1.00 0.00 C ATOM 848 O LEU A 57 -10.936 -14.814 -53.444 1.00 0.00 O ATOM 849 CB LEU A 57 -10.445 -12.000 -51.676 1.00 0.00 C ATOM 850 CG LEU A 57 -10.800 -12.212 -50.203 1.00 0.00 C ATOM 851 CD1 LEU A 57 -9.591 -11.874 -49.328 1.00 0.00 C ATOM 852 CD2 LEU A 57 -11.972 -11.301 -49.826 1.00 0.00 C ATOM 0 H LEU A 57 -8.034 -11.890 -52.169 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.666 -14.001 -51.441 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.849 -11.095 -51.791 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.353 -11.861 -52.263 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.080 -13.253 -50.045 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.847 -12.026 -48.279 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.756 -12.522 -49.595 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.308 -10.833 -49.485 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.226 -11.451 -48.777 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.690 -10.260 -49.986 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.835 -11.543 -50.447 1.00 0.00 H new ATOM 864 N LYS A 58 -10.240 -12.982 -54.544 1.00 0.00 N ATOM 865 CA LYS A 58 -10.856 -13.400 -55.798 1.00 0.00 C ATOM 866 C LYS A 58 -10.120 -14.602 -56.381 1.00 0.00 C ATOM 867 O LYS A 58 -10.731 -15.486 -56.982 1.00 0.00 O ATOM 868 CB LYS A 58 -10.843 -12.246 -56.803 1.00 0.00 C ATOM 869 CG LYS A 58 -11.865 -11.188 -56.382 1.00 0.00 C ATOM 870 CD LYS A 58 -13.268 -11.640 -56.793 1.00 0.00 C ATOM 871 CE LYS A 58 -14.280 -10.549 -56.441 1.00 0.00 C ATOM 872 NZ LYS A 58 -14.433 -10.472 -54.960 1.00 0.00 N ATOM 0 H LYS A 58 -9.750 -12.089 -54.583 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.888 -13.686 -55.596 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.847 -11.805 -56.853 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.078 -12.617 -57.801 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.822 -11.035 -55.304 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.628 -10.232 -56.849 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.296 -11.845 -57.863 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.526 -12.568 -56.283 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.946 -9.588 -56.833 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.242 -10.766 -56.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.277 -9.911 -54.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.536 -11.431 -54.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.592 -10.020 -54.547 1.00 0.00 H new ATOM 886 N ARG A 59 -8.804 -14.623 -56.198 1.00 0.00 N ATOM 887 CA ARG A 59 -7.985 -15.717 -56.708 1.00 0.00 C ATOM 888 C ARG A 59 -8.395 -17.040 -56.068 1.00 0.00 C ATOM 889 O ARG A 59 -8.249 -18.103 -56.672 1.00 0.00 O ATOM 890 CB ARG A 59 -6.509 -15.443 -56.414 1.00 0.00 C ATOM 891 CG ARG A 59 -5.640 -16.438 -57.187 1.00 0.00 C ATOM 892 CD ARG A 59 -5.197 -17.564 -56.252 1.00 0.00 C ATOM 893 NE ARG A 59 -4.293 -18.473 -56.950 1.00 0.00 N ATOM 894 CZ ARG A 59 -3.738 -19.520 -56.335 1.00 0.00 C ATOM 895 NH1 ARG A 59 -3.989 -19.768 -55.074 1.00 0.00 N ATOM 896 NH2 ARG A 59 -2.935 -20.306 -56.999 1.00 0.00 N ATOM 0 H ARG A 59 -8.284 -13.899 -55.703 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.136 -15.787 -57.785 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.254 -14.423 -56.700 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.318 -15.532 -55.345 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.199 -16.848 -58.028 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.768 -15.931 -57.601 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.699 -17.145 -55.377 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.068 -18.111 -55.892 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.080 -18.304 -57.933 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.615 -19.158 -54.549 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.558 -20.571 -54.617 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.735 -20.119 -57.981 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.507 -21.108 -56.535 1.00 0.00 H new ATOM 910 N GLU A 60 -8.904 -16.968 -54.843 1.00 0.00 N ATOM 911 CA GLU A 60 -9.326 -18.169 -54.131 1.00 0.00 C ATOM 912 C GLU A 60 -10.840 -18.175 -53.930 1.00 0.00 C ATOM 913 O GLU A 60 -11.328 -17.933 -52.826 1.00 0.00 O ATOM 914 CB GLU A 60 -8.632 -18.237 -52.770 1.00 0.00 C ATOM 915 CG GLU A 60 -8.936 -19.582 -52.108 1.00 0.00 C ATOM 916 CD GLU A 60 -8.204 -19.684 -50.774 1.00 0.00 C ATOM 917 OE1 GLU A 60 -7.449 -18.777 -50.465 1.00 0.00 O ATOM 918 OE2 GLU A 60 -8.408 -20.667 -50.082 1.00 0.00 O ATOM 0 H GLU A 60 -9.034 -16.099 -54.326 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.048 -19.037 -54.729 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.556 -18.115 -52.892 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.975 -17.421 -52.134 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.010 -19.685 -51.952 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.629 -20.397 -52.764 1.00 0.00 H new ATOM 925 N PRO A 61 -11.582 -18.451 -54.970 1.00 0.00 N ATOM 926 CA PRO A 61 -13.074 -18.496 -54.908 1.00 0.00 C ATOM 927 C PRO A 61 -13.591 -19.669 -54.075 1.00 0.00 C ATOM 928 O PRO A 61 -14.793 -19.782 -53.832 1.00 0.00 O ATOM 929 CB PRO A 61 -13.498 -18.639 -56.372 1.00 0.00 C ATOM 930 CG PRO A 61 -12.321 -19.233 -57.071 1.00 0.00 C ATOM 931 CD PRO A 61 -11.081 -18.751 -56.320 1.00 0.00 C ATOM 0 HA PRO A 61 -13.484 -17.609 -54.424 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.375 -19.280 -56.466 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.762 -17.672 -56.800 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.377 -20.322 -57.068 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.290 -18.918 -58.114 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.305 -19.516 -56.298 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.646 -17.869 -56.790 1.00 0.00 H new ATOM 939 N LEU A 62 -12.684 -20.538 -53.635 1.00 0.00 N ATOM 940 CA LEU A 62 -13.076 -21.688 -52.830 1.00 0.00 C ATOM 941 C LEU A 62 -13.705 -21.226 -51.520 1.00 0.00 C ATOM 942 O LEU A 62 -14.702 -21.787 -51.065 1.00 0.00 O ATOM 943 CB LEU A 62 -11.854 -22.563 -52.537 1.00 0.00 C ATOM 944 CG LEU A 62 -12.305 -23.862 -51.868 1.00 0.00 C ATOM 945 CD1 LEU A 62 -11.566 -25.043 -52.498 1.00 0.00 C ATOM 946 CD2 LEU A 62 -11.985 -23.802 -50.372 1.00 0.00 C ATOM 0 H LEU A 62 -11.683 -20.468 -53.821 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.809 -22.271 -53.388 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.321 -22.784 -53.462 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.159 -22.030 -51.888 1.00 0.00 H new ATOM 0 HG LEU A 62 -13.379 -23.988 -52.007 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -11.887 -25.969 -52.021 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.791 -25.086 -53.564 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.492 -24.917 -52.359 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -12.306 -24.727 -49.894 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.911 -23.676 -50.234 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -12.510 -22.960 -49.921 1.00 0.00 H new ATOM 958 N ASN A 63 -13.118 -20.194 -50.922 1.00 0.00 N ATOM 959 CA ASN A 63 -13.633 -19.658 -49.667 1.00 0.00 C ATOM 960 C ASN A 63 -15.033 -19.089 -49.871 1.00 0.00 C ATOM 961 O ASN A 63 -15.874 -19.142 -48.974 1.00 0.00 O ATOM 962 CB ASN A 63 -12.704 -18.558 -49.148 1.00 0.00 C ATOM 963 CG ASN A 63 -12.996 -17.244 -49.864 1.00 0.00 C ATOM 964 OD1 ASN A 63 -12.995 -17.192 -51.094 1.00 0.00 O ATOM 965 ND2 ASN A 63 -13.248 -16.172 -49.164 1.00 0.00 N ATOM 0 H ASN A 63 -12.292 -19.716 -51.282 1.00 0.00 H new ATOM 0 HA ASN A 63 -13.680 -20.466 -48.937 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -12.840 -18.434 -48.074 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.664 -18.844 -49.307 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.445 -15.289 -49.636 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.248 -16.217 -48.145 1.00 0.00 H new ATOM 972 N TYR A 64 -15.274 -18.548 -51.061 1.00 0.00 N ATOM 973 CA TYR A 64 -16.575 -17.971 -51.383 1.00 0.00 C ATOM 974 C TYR A 64 -17.605 -19.069 -51.632 1.00 0.00 C ATOM 975 O TYR A 64 -18.765 -18.942 -51.241 1.00 0.00 O ATOM 976 CB TYR A 64 -16.459 -17.084 -52.624 1.00 0.00 C ATOM 977 CG TYR A 64 -17.791 -16.428 -52.901 1.00 0.00 C ATOM 978 CD1 TYR A 64 -18.191 -15.314 -52.152 1.00 0.00 C ATOM 979 CD2 TYR A 64 -18.624 -16.932 -53.906 1.00 0.00 C ATOM 980 CE1 TYR A 64 -19.426 -14.706 -52.409 1.00 0.00 C ATOM 981 CE2 TYR A 64 -19.858 -16.323 -54.163 1.00 0.00 C ATOM 982 CZ TYR A 64 -20.259 -15.210 -53.415 1.00 0.00 C ATOM 983 OH TYR A 64 -21.476 -14.610 -53.668 1.00 0.00 O ATOM 0 H TYR A 64 -14.589 -18.497 -51.815 1.00 0.00 H new ATOM 0 HA TYR A 64 -16.904 -17.369 -50.536 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -15.692 -16.324 -52.471 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -16.150 -17.680 -53.483 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -17.548 -14.924 -51.377 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -18.315 -17.791 -54.483 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -19.736 -13.848 -51.831 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -20.501 -16.712 -54.939 1.00 0.00 H new ATOM 0 HH TYR A 64 -21.929 -15.083 -54.397 1.00 0.00 H new ATOM 993 N LEU A 65 -17.177 -20.144 -52.285 1.00 0.00 N ATOM 994 CA LEU A 65 -18.078 -21.253 -52.578 1.00 0.00 C ATOM 995 C LEU A 65 -18.475 -21.974 -51.288 1.00 0.00 C ATOM 996 O LEU A 65 -17.783 -21.866 -50.276 1.00 0.00 O ATOM 997 CB LEU A 65 -17.396 -22.239 -53.530 1.00 0.00 C ATOM 998 CG LEU A 65 -17.198 -21.581 -54.898 1.00 0.00 C ATOM 999 CD1 LEU A 65 -16.274 -22.451 -55.752 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -18.553 -21.439 -55.599 1.00 0.00 C ATOM 0 H LEU A 65 -16.222 -20.271 -52.619 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.977 -20.856 -53.050 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -16.434 -22.548 -53.121 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.002 -23.139 -53.633 1.00 0.00 H new ATOM 0 HG LEU A 65 -16.752 -20.595 -54.765 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -16.132 -21.984 -56.726 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -15.309 -22.554 -55.255 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.721 -23.436 -55.884 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.411 -20.970 -56.573 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.999 -22.425 -55.732 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.214 -20.821 -54.992 1.00 0.00 H new