USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 Single : A 21 GLN : amide:sc= -0.0439 K(o=-0.044,f=-1.3!) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.03) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.43) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -62:sc= 0.203 USER MOD Single : A 47 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.609 F(o=-2.5,f=-0.61) USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0491) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= -0.365 (180deg=-1.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 167:sc= -2.84! (180deg=-3.13!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.630 8.370 1.995 1.00 0.00 N ATOM 243 CA GLN A 21 6.792 7.229 2.348 1.00 0.00 C ATOM 244 C GLN A 21 6.447 6.405 1.113 1.00 0.00 C ATOM 245 O GLN A 21 6.512 5.176 1.137 1.00 0.00 O ATOM 246 CB GLN A 21 5.511 7.704 3.035 1.00 0.00 C ATOM 247 CG GLN A 21 5.733 8.229 4.444 1.00 0.00 C ATOM 248 CD GLN A 21 4.545 9.009 4.971 1.00 0.00 C ATOM 249 OE1 GLN A 21 3.765 9.569 4.200 1.00 0.00 O ATOM 250 NE2 GLN A 21 4.402 9.051 6.290 1.00 0.00 N ATOM 0 HA GLN A 21 7.352 6.598 3.038 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.055 8.489 2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.801 6.878 3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.938 7.392 5.111 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.616 8.868 4.454 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.073 8.572 6.891 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.622 9.562 6.702 1.00 0.00 H new ATOM 259 N GLU A 22 6.078 7.089 0.035 1.00 0.00 N ATOM 260 CA GLU A 22 5.720 6.419 -1.210 1.00 0.00 C ATOM 261 C GLU A 22 6.952 5.806 -1.871 1.00 0.00 C ATOM 262 O GLU A 22 6.843 4.882 -2.677 1.00 0.00 O ATOM 263 CB GLU A 22 5.049 7.402 -2.171 1.00 0.00 C ATOM 264 CG GLU A 22 4.247 6.727 -3.271 1.00 0.00 C ATOM 265 CD GLU A 22 4.149 7.574 -4.525 1.00 0.00 C ATOM 266 OE1 GLU A 22 5.122 7.589 -5.307 1.00 0.00 O ATOM 267 OE2 GLU A 22 3.100 8.222 -4.723 1.00 0.00 O ATOM 0 H GLU A 22 6.019 8.107 -0.002 1.00 0.00 H new ATOM 0 HA GLU A 22 5.019 5.619 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.390 8.059 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.814 8.032 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.709 5.771 -3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.244 6.511 -2.904 1.00 0.00 H new ATOM 274 N LYS A 23 8.124 6.327 -1.523 1.00 0.00 N ATOM 275 CA LYS A 23 9.377 5.832 -2.081 1.00 0.00 C ATOM 276 C LYS A 23 9.845 4.583 -1.342 1.00 0.00 C ATOM 277 O LYS A 23 10.335 3.633 -1.955 1.00 0.00 O ATOM 278 CB LYS A 23 10.455 6.916 -2.006 1.00 0.00 C ATOM 279 CG LYS A 23 10.500 7.814 -3.230 1.00 0.00 C ATOM 280 CD LYS A 23 11.288 9.085 -2.960 1.00 0.00 C ATOM 281 CE LYS A 23 11.550 9.861 -4.242 1.00 0.00 C ATOM 282 NZ LYS A 23 12.616 9.227 -5.066 1.00 0.00 N ATOM 0 H LYS A 23 8.232 7.092 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 23 9.204 5.572 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.281 7.529 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.428 6.441 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.952 7.274 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.485 8.071 -3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.738 9.713 -2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.236 8.833 -2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.630 9.923 -4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.841 10.882 -3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.848 9.846 -5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.465 9.083 -4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.280 8.309 -5.422 1.00 0.00 H new ATOM 296 N LEU A 24 9.692 4.589 -0.022 1.00 0.00 N ATOM 297 CA LEU A 24 10.098 3.455 0.801 1.00 0.00 C ATOM 298 C LEU A 24 9.242 2.229 0.498 1.00 0.00 C ATOM 299 O LEU A 24 9.706 1.093 0.606 1.00 0.00 O ATOM 300 CB LEU A 24 9.991 3.812 2.284 1.00 0.00 C ATOM 301 CG LEU A 24 10.224 2.665 3.269 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.638 2.123 3.132 1.00 0.00 C ATOM 303 CD2 LEU A 24 9.963 3.126 4.695 1.00 0.00 C ATOM 0 H LEU A 24 9.290 5.367 0.501 1.00 0.00 H new ATOM 0 HA LEU A 24 11.135 3.219 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.711 4.602 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.999 4.226 2.467 1.00 0.00 H new ATOM 0 HG LEU A 24 9.525 1.862 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.785 1.308 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.790 1.754 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.354 2.918 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.134 2.297 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.637 3.946 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.931 3.465 4.785 1.00 0.00 H new ATOM 315 N VAL A 25 7.991 2.466 0.116 1.00 0.00 N ATOM 316 CA VAL A 25 7.071 1.381 -0.206 1.00 0.00 C ATOM 317 C VAL A 25 7.317 0.853 -1.614 1.00 0.00 C ATOM 318 O VAL A 25 7.246 -0.352 -1.858 1.00 0.00 O ATOM 319 CB VAL A 25 5.605 1.835 -0.088 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.663 0.660 -0.296 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.358 2.494 1.262 1.00 0.00 C ATOM 0 H VAL A 25 7.591 3.400 0.022 1.00 0.00 H new ATOM 0 HA VAL A 25 7.255 0.584 0.515 1.00 0.00 H new ATOM 0 HB VAL A 25 5.407 2.570 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.631 1.001 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.823 0.237 -1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.859 -0.101 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.317 2.809 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.573 1.782 2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.007 3.363 1.367 1.00 0.00 H new ATOM 331 N TYR A 26 7.606 1.761 -2.539 1.00 0.00 N ATOM 332 CA TYR A 26 7.860 1.387 -3.925 1.00 0.00 C ATOM 333 C TYR A 26 9.133 0.554 -4.040 1.00 0.00 C ATOM 334 O TYR A 26 9.269 -0.268 -4.945 1.00 0.00 O ATOM 335 CB TYR A 26 7.974 2.637 -4.800 1.00 0.00 C ATOM 336 CG TYR A 26 8.368 2.341 -6.230 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.457 1.792 -7.123 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.652 2.612 -6.687 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.813 1.520 -8.430 1.00 0.00 C ATOM 340 CE2 TYR A 26 10.016 2.345 -7.992 1.00 0.00 C ATOM 341 CZ TYR A 26 9.093 1.798 -8.860 1.00 0.00 C ATOM 342 OH TYR A 26 9.451 1.530 -10.161 1.00 0.00 O ATOM 0 H TYR A 26 7.670 2.762 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 26 7.021 0.784 -4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.018 3.161 -4.796 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.709 3.312 -4.361 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.453 1.574 -6.790 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.377 3.039 -6.010 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.092 1.092 -9.111 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.018 2.563 -8.332 1.00 0.00 H new ATOM 0 HH TYR A 26 10.387 1.785 -10.302 1.00 0.00 H new ATOM 352 N GLN A 27 10.061 0.774 -3.115 1.00 0.00 N ATOM 353 CA GLN A 27 11.324 0.044 -3.112 1.00 0.00 C ATOM 354 C GLN A 27 11.127 -1.380 -2.604 1.00 0.00 C ATOM 355 O GLN A 27 11.865 -2.291 -2.982 1.00 0.00 O ATOM 356 CB GLN A 27 12.354 0.770 -2.245 1.00 0.00 C ATOM 357 CG GLN A 27 12.852 2.071 -2.853 1.00 0.00 C ATOM 358 CD GLN A 27 13.914 1.853 -3.912 1.00 0.00 C ATOM 359 OE1 GLN A 27 15.111 1.894 -3.625 1.00 0.00 O ATOM 360 NE2 GLN A 27 13.481 1.619 -5.145 1.00 0.00 N ATOM 0 H GLN A 27 9.963 1.451 -2.358 1.00 0.00 H new ATOM 0 HA GLN A 27 11.691 -0.003 -4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.913 0.979 -1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.204 0.109 -2.075 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.011 2.607 -3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.256 2.705 -2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.480 1.594 -5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.150 1.464 -5.900 1.00 0.00 H new ATOM 369 N ILE A 28 10.129 -1.566 -1.747 1.00 0.00 N ATOM 370 CA ILE A 28 9.836 -2.880 -1.188 1.00 0.00 C ATOM 371 C ILE A 28 9.126 -3.764 -2.207 1.00 0.00 C ATOM 372 O ILE A 28 9.441 -4.947 -2.344 1.00 0.00 O ATOM 373 CB ILE A 28 8.965 -2.772 0.077 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.684 -1.953 1.150 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.621 -4.158 0.602 1.00 0.00 C ATOM 376 CD1 ILE A 28 8.751 -1.345 2.173 1.00 0.00 C ATOM 0 H ILE A 28 9.509 -0.823 -1.424 1.00 0.00 H new ATOM 0 HA ILE A 28 10.792 -3.331 -0.923 1.00 0.00 H new ATOM 0 HB ILE A 28 8.037 -2.261 -0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.404 -2.592 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.251 -1.156 0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.005 -4.066 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.072 -4.710 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.539 -4.692 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.330 -0.779 2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.047 -0.680 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.203 -2.138 2.682 1.00 0.00 H new ATOM 388 N ILE A 29 8.169 -3.183 -2.922 1.00 0.00 N ATOM 389 CA ILE A 29 7.417 -3.918 -3.932 1.00 0.00 C ATOM 390 C ILE A 29 8.335 -4.435 -5.033 1.00 0.00 C ATOM 391 O ILE A 29 8.260 -5.601 -5.421 1.00 0.00 O ATOM 392 CB ILE A 29 6.319 -3.042 -4.563 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.345 -2.553 -3.489 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.579 -3.818 -5.643 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.449 -1.426 -3.954 1.00 0.00 C ATOM 0 H ILE A 29 7.896 -2.205 -2.821 1.00 0.00 H new ATOM 0 HA ILE A 29 6.950 -4.763 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 29 6.788 -2.173 -5.023 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.725 -3.389 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.912 -2.220 -2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.806 -3.186 -6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.282 -4.121 -6.419 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.119 -4.703 -5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.785 -1.130 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.060 -0.574 -4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.855 -1.761 -4.804 1.00 0.00 H new ATOM 407 N GLU A 30 9.203 -3.561 -5.532 1.00 0.00 N ATOM 408 CA GLU A 30 10.137 -3.931 -6.589 1.00 0.00 C ATOM 409 C GLU A 30 11.074 -5.042 -6.123 1.00 0.00 C ATOM 410 O GLU A 30 11.540 -5.852 -6.924 1.00 0.00 O ATOM 411 CB GLU A 30 10.952 -2.713 -7.029 1.00 0.00 C ATOM 412 CG GLU A 30 12.236 -2.521 -6.239 1.00 0.00 C ATOM 413 CD GLU A 30 13.300 -3.540 -6.599 1.00 0.00 C ATOM 414 OE1 GLU A 30 13.534 -3.752 -7.807 1.00 0.00 O ATOM 415 OE2 GLU A 30 13.898 -4.125 -5.672 1.00 0.00 O ATOM 0 H GLU A 30 9.279 -2.592 -5.222 1.00 0.00 H new ATOM 0 HA GLU A 30 9.559 -4.298 -7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.198 -2.814 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.336 -1.819 -6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.623 -1.518 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.017 -2.591 -5.174 1.00 0.00 H new ATOM 422 N ASP A 31 11.345 -5.072 -4.823 1.00 0.00 N ATOM 423 CA ASP A 31 12.226 -6.083 -4.249 1.00 0.00 C ATOM 424 C ASP A 31 11.570 -7.460 -4.288 1.00 0.00 C ATOM 425 O ASP A 31 12.243 -8.473 -4.471 1.00 0.00 O ATOM 426 CB ASP A 31 12.586 -5.717 -2.808 1.00 0.00 C ATOM 427 CG ASP A 31 13.838 -4.865 -2.723 1.00 0.00 C ATOM 428 OD1 ASP A 31 14.895 -5.313 -3.214 1.00 0.00 O ATOM 429 OD2 ASP A 31 13.759 -3.750 -2.167 1.00 0.00 O ATOM 0 H ASP A 31 10.968 -4.408 -4.147 1.00 0.00 H new ATOM 0 HA ASP A 31 13.137 -6.117 -4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.753 -5.180 -2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.731 -6.629 -2.230 1.00 0.00 H new ATOM 434 N ALA A 32 10.253 -7.487 -4.114 1.00 0.00 N ATOM 435 CA ALA A 32 9.506 -8.739 -4.131 1.00 0.00 C ATOM 436 C ALA A 32 9.746 -9.504 -5.428 1.00 0.00 C ATOM 437 O ALA A 32 9.747 -10.735 -5.443 1.00 0.00 O ATOM 438 CB ALA A 32 8.021 -8.471 -3.941 1.00 0.00 C ATOM 0 H ALA A 32 9.681 -6.657 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 32 9.861 -9.356 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.476 -9.415 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.860 -7.974 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.661 -7.831 -4.747 1.00 0.00 H new ATOM 444 N GLY A 33 9.949 -8.767 -6.516 1.00 0.00 N ATOM 445 CA GLY A 33 10.186 -9.394 -7.803 1.00 0.00 C ATOM 446 C GLY A 33 8.901 -9.692 -8.549 1.00 0.00 C ATOM 447 O GLY A 33 7.816 -9.318 -8.103 1.00 0.00 O ATOM 0 H GLY A 33 9.954 -7.747 -6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.813 -8.742 -8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.740 -10.321 -7.655 1.00 0.00 H new ATOM 451 N ASN A 34 9.021 -10.366 -9.688 1.00 0.00 N ATOM 452 CA ASN A 34 7.859 -10.712 -10.498 1.00 0.00 C ATOM 453 C ASN A 34 6.756 -11.318 -9.636 1.00 0.00 C ATOM 454 O ASN A 34 5.570 -11.082 -9.870 1.00 0.00 O ATOM 455 CB ASN A 34 8.256 -11.693 -11.603 1.00 0.00 C ATOM 456 CG ASN A 34 8.399 -13.113 -11.091 1.00 0.00 C ATOM 457 OD1 ASN A 34 7.461 -13.907 -11.158 1.00 0.00 O ATOM 458 ND2 ASN A 34 9.579 -13.439 -10.574 1.00 0.00 N ATOM 0 H ASN A 34 9.911 -10.683 -10.071 1.00 0.00 H new ATOM 0 HA ASN A 34 7.478 -9.797 -10.953 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.506 -11.668 -12.394 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.198 -11.373 -12.048 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.735 -14.380 -10.212 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.329 -12.748 -10.539 1.00 0.00 H new ATOM 465 N LYS A 35 7.154 -12.099 -8.638 1.00 0.00 N ATOM 466 CA LYS A 35 6.201 -12.738 -7.739 1.00 0.00 C ATOM 467 C LYS A 35 5.249 -11.711 -7.135 1.00 0.00 C ATOM 468 O LYS A 35 4.049 -11.955 -7.019 1.00 0.00 O ATOM 469 CB LYS A 35 6.940 -13.482 -6.624 1.00 0.00 C ATOM 470 CG LYS A 35 7.868 -14.572 -7.131 1.00 0.00 C ATOM 471 CD LYS A 35 8.967 -14.879 -6.129 1.00 0.00 C ATOM 472 CE LYS A 35 10.105 -15.658 -6.771 1.00 0.00 C ATOM 473 NZ LYS A 35 9.680 -17.025 -7.181 1.00 0.00 N ATOM 0 H LYS A 35 8.131 -12.305 -8.431 1.00 0.00 H new ATOM 0 HA LYS A 35 5.616 -13.452 -8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.519 -12.765 -6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.209 -13.925 -5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.293 -15.476 -7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.313 -14.262 -8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.352 -13.948 -5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.554 -15.453 -5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.471 -15.115 -7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.936 -15.731 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.484 -17.523 -7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.355 -17.553 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.904 -16.955 -7.870 1.00 0.00 H new ATOM 487 N GLY A 36 5.793 -10.559 -6.754 1.00 0.00 N ATOM 488 CA GLY A 36 4.978 -9.511 -6.169 1.00 0.00 C ATOM 489 C GLY A 36 5.014 -9.526 -4.654 1.00 0.00 C ATOM 490 O GLY A 36 5.822 -10.235 -4.053 1.00 0.00 O ATOM 0 H GLY A 36 6.784 -10.333 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.325 -8.542 -6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.948 -9.625 -6.506 1.00 0.00 H new ATOM 494 N ILE A 37 4.139 -8.741 -4.034 1.00 0.00 N ATOM 495 CA ILE A 37 4.076 -8.667 -2.580 1.00 0.00 C ATOM 496 C ILE A 37 2.648 -8.423 -2.104 1.00 0.00 C ATOM 497 O ILE A 37 1.845 -7.810 -2.806 1.00 0.00 O ATOM 498 CB ILE A 37 4.985 -7.551 -2.033 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.071 -7.635 -0.507 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.468 -6.187 -2.465 1.00 0.00 C ATOM 501 CD1 ILE A 37 6.005 -6.614 0.103 1.00 0.00 C ATOM 0 H ILE A 37 3.464 -8.147 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 37 4.425 -9.627 -2.200 1.00 0.00 H new ATOM 0 HB ILE A 37 5.986 -7.685 -2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.074 -7.500 -0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.403 -8.634 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.121 -5.409 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.454 -6.131 -3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.458 -6.042 -2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.016 -6.732 1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.011 -6.762 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.662 -5.611 -0.149 1.00 0.00 H new ATOM 513 N TRP A 38 2.339 -8.907 -0.906 1.00 0.00 N ATOM 514 CA TRP A 38 1.008 -8.739 -0.334 1.00 0.00 C ATOM 515 C TRP A 38 0.905 -7.425 0.430 1.00 0.00 C ATOM 516 O TRP A 38 1.757 -7.111 1.261 1.00 0.00 O ATOM 517 CB TRP A 38 0.678 -9.910 0.593 1.00 0.00 C ATOM 518 CG TRP A 38 -0.794 -10.110 0.797 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.800 -9.692 -0.027 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.424 -10.774 1.898 1.00 0.00 C ATOM 521 NE1 TRP A 38 -3.017 -10.058 0.495 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.814 -10.723 1.675 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.949 -11.409 3.049 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.731 -11.282 2.561 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.861 -11.963 3.927 1.00 0.00 C ATOM 526 CH2 TRP A 38 -3.238 -11.898 3.680 1.00 0.00 C ATOM 0 H TRP A 38 2.992 -9.419 -0.312 1.00 0.00 H new ATOM 0 HA TRP A 38 0.288 -8.718 -1.152 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.108 -10.823 0.180 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.152 -9.743 1.560 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.659 -9.153 -0.952 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.925 -9.866 0.072 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.111 -11.466 3.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.793 -11.232 2.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.505 -12.455 4.820 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.924 -12.342 4.386 1.00 0.00 H new ATOM 537 N SER A 39 -0.144 -6.659 0.145 1.00 0.00 N ATOM 538 CA SER A 39 -0.356 -5.376 0.804 1.00 0.00 C ATOM 539 C SER A 39 0.121 -5.424 2.252 1.00 0.00 C ATOM 540 O SER A 39 0.698 -4.461 2.760 1.00 0.00 O ATOM 541 CB SER A 39 -1.836 -4.991 0.755 1.00 0.00 C ATOM 542 OG SER A 39 -2.192 -4.191 1.869 1.00 0.00 O ATOM 0 H SER A 39 -0.860 -6.905 -0.538 1.00 0.00 H new ATOM 0 HA SER A 39 0.225 -4.622 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.044 -4.449 -0.167 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.449 -5.892 0.740 1.00 0.00 H new ATOM 0 HG SER A 39 -3.142 -3.957 1.813 1.00 0.00 H new ATOM 548 N ARG A 40 -0.124 -6.551 2.912 1.00 0.00 N ATOM 549 CA ARG A 40 0.279 -6.725 4.303 1.00 0.00 C ATOM 550 C ARG A 40 1.798 -6.692 4.437 1.00 0.00 C ATOM 551 O ARG A 40 2.357 -5.789 5.060 1.00 0.00 O ATOM 552 CB ARG A 40 -0.264 -8.046 4.851 1.00 0.00 C ATOM 553 CG ARG A 40 -1.781 -8.105 4.908 1.00 0.00 C ATOM 554 CD ARG A 40 -2.262 -9.237 5.802 1.00 0.00 C ATOM 555 NE ARG A 40 -1.855 -9.047 7.192 1.00 0.00 N ATOM 556 CZ ARG A 40 -2.478 -9.607 8.223 1.00 0.00 C ATOM 557 NH1 ARG A 40 -3.530 -10.388 8.022 1.00 0.00 N ATOM 558 NH2 ARG A 40 -2.047 -9.387 9.459 1.00 0.00 N ATOM 0 H ARG A 40 -0.599 -7.357 2.506 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.137 -5.901 4.882 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.100 -8.864 4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.135 -8.205 5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.169 -7.157 5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.179 -8.240 3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.349 -9.305 5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.865 -10.183 5.434 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.048 -8.452 7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.863 -10.560 7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.006 -10.817 8.816 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.237 -8.788 9.618 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.526 -9.817 10.250 1.00 0.00 H new ATOM 572 N ASP A 41 2.461 -7.682 3.849 1.00 0.00 N ATOM 573 CA ASP A 41 3.916 -7.766 3.902 1.00 0.00 C ATOM 574 C ASP A 41 4.543 -6.378 3.825 1.00 0.00 C ATOM 575 O ASP A 41 5.626 -6.144 4.363 1.00 0.00 O ATOM 576 CB ASP A 41 4.439 -8.641 2.762 1.00 0.00 C ATOM 577 CG ASP A 41 4.213 -10.118 3.015 1.00 0.00 C ATOM 578 OD1 ASP A 41 3.054 -10.506 3.270 1.00 0.00 O ATOM 579 OD2 ASP A 41 5.196 -10.887 2.958 1.00 0.00 O ATOM 0 H ASP A 41 2.014 -8.438 3.330 1.00 0.00 H new ATOM 0 HA ASP A 41 4.196 -8.218 4.854 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.946 -8.355 1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.505 -8.458 2.627 1.00 0.00 H new ATOM 584 N VAL A 42 3.857 -5.460 3.151 1.00 0.00 N ATOM 585 CA VAL A 42 4.347 -4.095 3.003 1.00 0.00 C ATOM 586 C VAL A 42 4.257 -3.333 4.320 1.00 0.00 C ATOM 587 O VAL A 42 5.248 -2.783 4.801 1.00 0.00 O ATOM 588 CB VAL A 42 3.558 -3.329 1.924 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.056 -1.896 1.815 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.659 -4.042 0.584 1.00 0.00 C ATOM 0 H VAL A 42 2.960 -5.637 2.699 1.00 0.00 H new ATOM 0 HA VAL A 42 5.391 -4.165 2.698 1.00 0.00 H new ATOM 0 HB VAL A 42 2.508 -3.301 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.487 -1.370 1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.926 -1.392 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.112 -1.897 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.096 -3.487 -0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.705 -4.103 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.249 -5.048 0.675 1.00 0.00 H new ATOM 600 N ARG A 43 3.061 -3.304 4.900 1.00 0.00 N ATOM 601 CA ARG A 43 2.841 -2.609 6.163 1.00 0.00 C ATOM 602 C ARG A 43 4.058 -2.737 7.074 1.00 0.00 C ATOM 603 O ARG A 43 4.495 -1.761 7.683 1.00 0.00 O ATOM 604 CB ARG A 43 1.602 -3.166 6.867 1.00 0.00 C ATOM 605 CG ARG A 43 0.315 -2.448 6.494 1.00 0.00 C ATOM 606 CD ARG A 43 -0.762 -2.654 7.547 1.00 0.00 C ATOM 607 NE ARG A 43 -0.829 -4.041 7.998 1.00 0.00 N ATOM 608 CZ ARG A 43 -1.512 -4.988 7.364 1.00 0.00 C ATOM 609 NH1 ARG A 43 -2.182 -4.699 6.258 1.00 0.00 N ATOM 610 NH2 ARG A 43 -1.525 -6.228 7.837 1.00 0.00 N ATOM 0 H ARG A 43 2.230 -3.754 4.516 1.00 0.00 H new ATOM 0 HA ARG A 43 2.682 -1.553 5.945 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.501 -4.224 6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.746 -3.099 7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.512 -1.382 6.377 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.041 -2.814 5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.564 -2.005 8.400 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.729 -2.358 7.139 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.324 -4.297 8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.174 -3.747 5.891 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.705 -5.428 5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.010 -6.455 8.688 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.050 -6.954 7.350 1.00 0.00 H new ATOM 624 N TYR A 44 4.599 -3.947 7.162 1.00 0.00 N ATOM 625 CA TYR A 44 5.764 -4.203 8.001 1.00 0.00 C ATOM 626 C TYR A 44 7.016 -3.565 7.406 1.00 0.00 C ATOM 627 O TYR A 44 7.673 -2.743 8.046 1.00 0.00 O ATOM 628 CB TYR A 44 5.977 -5.709 8.168 1.00 0.00 C ATOM 629 CG TYR A 44 4.689 -6.495 8.260 1.00 0.00 C ATOM 630 CD1 TYR A 44 4.046 -6.950 7.115 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.115 -6.785 9.492 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.868 -7.668 7.195 1.00 0.00 C ATOM 633 CE2 TYR A 44 2.939 -7.504 9.581 1.00 0.00 C ATOM 634 CZ TYR A 44 2.319 -7.943 8.430 1.00 0.00 C ATOM 635 OH TYR A 44 1.147 -8.660 8.514 1.00 0.00 O ATOM 0 H TYR A 44 4.250 -4.765 6.663 1.00 0.00 H new ATOM 0 HA TYR A 44 5.580 -3.757 8.978 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.561 -6.081 7.326 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.567 -5.887 9.067 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.474 -6.739 6.146 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.597 -6.442 10.396 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.380 -8.012 6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.507 -7.721 10.547 1.00 0.00 H new ATOM 0 HH TYR A 44 0.896 -8.768 9.455 1.00 0.00 H new ATOM 645 N LYS A 45 7.339 -3.948 6.175 1.00 0.00 N ATOM 646 CA LYS A 45 8.510 -3.413 5.490 1.00 0.00 C ATOM 647 C LYS A 45 8.479 -1.888 5.469 1.00 0.00 C ATOM 648 O LYS A 45 9.367 -1.232 6.013 1.00 0.00 O ATOM 649 CB LYS A 45 8.580 -3.952 4.060 1.00 0.00 C ATOM 650 CG LYS A 45 8.743 -5.461 3.985 1.00 0.00 C ATOM 651 CD LYS A 45 9.863 -5.945 4.891 1.00 0.00 C ATOM 652 CE LYS A 45 10.315 -7.348 4.517 1.00 0.00 C ATOM 653 NZ LYS A 45 11.684 -7.644 5.024 1.00 0.00 N ATOM 0 H LYS A 45 6.806 -4.627 5.631 1.00 0.00 H new ATOM 0 HA LYS A 45 9.397 -3.733 6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.672 -3.666 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.415 -3.479 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.808 -5.944 4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.953 -5.755 2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.708 -5.260 4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.525 -5.935 5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.612 -8.076 4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.298 -7.458 3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.955 -8.609 4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.359 -6.965 4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.695 -7.564 6.061 1.00 0.00 H new ATOM 667 N SER A 46 7.450 -1.331 4.839 1.00 0.00 N ATOM 668 CA SER A 46 7.304 0.117 4.745 1.00 0.00 C ATOM 669 C SER A 46 7.151 0.739 6.130 1.00 0.00 C ATOM 670 O SER A 46 7.299 1.948 6.299 1.00 0.00 O ATOM 671 CB SER A 46 6.096 0.475 3.877 1.00 0.00 C ATOM 672 OG SER A 46 4.882 0.208 4.557 1.00 0.00 O ATOM 0 H SER A 46 6.705 -1.860 4.386 1.00 0.00 H new ATOM 0 HA SER A 46 8.206 0.518 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.140 1.530 3.605 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.129 -0.095 2.949 1.00 0.00 H new ATOM 0 HG SER A 46 4.818 -0.751 4.748 1.00 0.00 H new ATOM 678 N ASN A 47 6.853 -0.099 7.118 1.00 0.00 N ATOM 679 CA ASN A 47 6.679 0.367 8.489 1.00 0.00 C ATOM 680 C ASN A 47 5.610 1.452 8.563 1.00 0.00 C ATOM 681 O ASN A 47 5.641 2.311 9.445 1.00 0.00 O ATOM 682 CB ASN A 47 8.003 0.901 9.040 1.00 0.00 C ATOM 683 CG ASN A 47 8.013 0.967 10.555 1.00 0.00 C ATOM 684 OD1 ASN A 47 7.425 0.121 11.229 1.00 0.00 O ATOM 685 ND2 ASN A 47 8.682 1.977 11.099 1.00 0.00 N ATOM 0 H ASN A 47 6.727 -1.104 6.995 1.00 0.00 H new ATOM 0 HA ASN A 47 6.355 -0.479 9.096 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.819 0.262 8.701 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.188 1.896 8.634 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.723 2.074 12.114 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.155 2.656 10.502 1.00 0.00 H new ATOM 692 N LEU A 48 4.664 1.407 7.631 1.00 0.00 N ATOM 693 CA LEU A 48 3.583 2.386 7.590 1.00 0.00 C ATOM 694 C LEU A 48 2.249 1.740 7.948 1.00 0.00 C ATOM 695 O LEU A 48 2.057 0.532 7.804 1.00 0.00 O ATOM 696 CB LEU A 48 3.498 3.023 6.202 1.00 0.00 C ATOM 697 CG LEU A 48 4.585 4.044 5.864 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.498 4.451 4.401 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.470 5.264 6.766 1.00 0.00 C ATOM 0 H LEU A 48 4.624 0.703 6.894 1.00 0.00 H new ATOM 0 HA LEU A 48 3.799 3.160 8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.530 2.228 5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.528 3.510 6.107 1.00 0.00 H new ATOM 0 HG LEU A 48 5.557 3.581 6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.279 5.178 4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.630 3.572 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.522 4.895 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.251 5.980 6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.494 5.728 6.627 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.582 4.959 7.806 1.00 0.00 H new ATOM 711 N PRO A 49 1.302 2.562 8.425 1.00 0.00 N ATOM 712 CA PRO A 49 -0.032 2.093 8.811 1.00 0.00 C ATOM 713 C PRO A 49 -0.868 1.668 7.609 1.00 0.00 C ATOM 714 O PRO A 49 -0.574 2.041 6.472 1.00 0.00 O ATOM 715 CB PRO A 49 -0.655 3.315 9.491 1.00 0.00 C ATOM 716 CG PRO A 49 0.059 4.482 8.900 1.00 0.00 C ATOM 717 CD PRO A 49 1.461 4.012 8.624 1.00 0.00 C ATOM 0 HA PRO A 49 0.015 1.211 9.450 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.727 3.370 9.302 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.523 3.276 10.572 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.429 4.815 7.984 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.059 5.328 9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.880 4.495 7.741 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.130 4.232 9.456 1.00 0.00 H new ATOM 725 N LEU A 50 -1.911 0.887 7.865 1.00 0.00 N ATOM 726 CA LEU A 50 -2.791 0.412 6.803 1.00 0.00 C ATOM 727 C LEU A 50 -3.228 1.563 5.903 1.00 0.00 C ATOM 728 O LEU A 50 -3.112 1.488 4.679 1.00 0.00 O ATOM 729 CB LEU A 50 -4.019 -0.278 7.401 1.00 0.00 C ATOM 730 CG LEU A 50 -4.945 -0.978 6.407 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.648 0.040 5.523 1.00 0.00 C ATOM 732 CD2 LEU A 50 -4.165 -1.974 5.561 1.00 0.00 C ATOM 0 H LEU A 50 -2.168 0.569 8.799 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.236 -0.307 6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.679 -1.013 8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.600 0.466 7.946 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.703 -1.524 6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.303 -0.478 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.240 0.713 6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.906 0.615 4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.841 -2.463 4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.385 -1.450 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.710 -2.724 6.208 1.00 0.00 H new ATOM 744 N THR A 51 -3.731 2.630 6.517 1.00 0.00 N ATOM 745 CA THR A 51 -4.185 3.797 5.771 1.00 0.00 C ATOM 746 C THR A 51 -3.088 4.324 4.853 1.00 0.00 C ATOM 747 O THR A 51 -3.368 4.980 3.850 1.00 0.00 O ATOM 748 CB THR A 51 -4.633 4.928 6.717 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.483 5.843 6.017 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.432 5.672 7.279 1.00 0.00 C ATOM 0 H THR A 51 -3.834 2.710 7.529 1.00 0.00 H new ATOM 0 HA THR A 51 -5.036 3.476 5.170 1.00 0.00 H new ATOM 0 HB THR A 51 -5.183 4.482 7.546 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.765 6.558 6.625 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.774 6.465 7.944 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.802 4.978 7.836 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.858 6.107 6.461 1.00 0.00 H new ATOM 758 N GLU A 52 -1.839 4.031 5.202 1.00 0.00 N ATOM 759 CA GLU A 52 -0.700 4.476 4.407 1.00 0.00 C ATOM 760 C GLU A 52 -0.397 3.483 3.288 1.00 0.00 C ATOM 761 O GLU A 52 -0.117 3.876 2.155 1.00 0.00 O ATOM 762 CB GLU A 52 0.532 4.652 5.296 1.00 0.00 C ATOM 763 CG GLU A 52 0.639 6.033 5.922 1.00 0.00 C ATOM 764 CD GLU A 52 0.739 7.136 4.886 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.518 6.976 3.923 1.00 0.00 O ATOM 766 OE2 GLU A 52 0.040 8.160 5.039 1.00 0.00 O ATOM 0 H GLU A 52 -1.590 3.488 6.029 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.955 5.436 3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.508 3.904 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.427 4.460 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.232 6.210 6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.515 6.067 6.570 1.00 0.00 H new ATOM 773 N ILE A 53 -0.453 2.197 3.616 1.00 0.00 N ATOM 774 CA ILE A 53 -0.185 1.149 2.639 1.00 0.00 C ATOM 775 C ILE A 53 -1.278 1.093 1.578 1.00 0.00 C ATOM 776 O ILE A 53 -1.018 0.764 0.421 1.00 0.00 O ATOM 777 CB ILE A 53 -0.068 -0.232 3.313 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.313 -0.398 3.950 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.328 -1.338 2.301 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.614 0.632 5.016 1.00 0.00 C ATOM 0 H ILE A 53 -0.681 1.856 4.550 1.00 0.00 H new ATOM 0 HA ILE A 53 0.765 1.395 2.165 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.820 -0.302 4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.385 -1.394 4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.073 -0.336 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.242 -2.308 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.332 -1.227 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.403 -1.273 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.609 0.454 5.424 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.574 1.630 4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.876 0.556 5.814 1.00 0.00 H new ATOM 792 N ASN A 54 -2.502 1.419 1.979 1.00 0.00 N ATOM 793 CA ASN A 54 -3.636 1.407 1.062 1.00 0.00 C ATOM 794 C ASN A 54 -3.537 2.554 0.061 1.00 0.00 C ATOM 795 O ASN A 54 -3.638 2.348 -1.149 1.00 0.00 O ATOM 796 CB ASN A 54 -4.950 1.506 1.840 1.00 0.00 C ATOM 797 CG ASN A 54 -5.457 0.151 2.293 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.548 -0.692 2.769 1.00 0.00 O flip ATOM 799 ND2 ASN A 54 -6.652 -0.134 2.216 1.00 0.00 N flip ATOM 0 H ASN A 54 -2.734 1.695 2.933 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.617 0.466 0.513 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.806 2.147 2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.705 1.983 1.214 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.315 0.545 1.843 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.979 -1.050 2.525 1.00 0.00 H new ATOM 806 N LYS A 55 -3.339 3.764 0.573 1.00 0.00 N ATOM 807 CA LYS A 55 -3.224 4.945 -0.274 1.00 0.00 C ATOM 808 C LYS A 55 -1.981 4.864 -1.154 1.00 0.00 C ATOM 809 O LYS A 55 -2.030 5.182 -2.343 1.00 0.00 O ATOM 810 CB LYS A 55 -3.173 6.211 0.585 1.00 0.00 C ATOM 811 CG LYS A 55 -1.829 6.437 1.255 1.00 0.00 C ATOM 812 CD LYS A 55 -1.858 7.654 2.165 1.00 0.00 C ATOM 813 CE LYS A 55 -1.748 8.947 1.371 1.00 0.00 C ATOM 814 NZ LYS A 55 -0.360 9.184 0.888 1.00 0.00 N ATOM 0 H LYS A 55 -3.255 3.952 1.572 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.102 4.986 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.408 7.073 -0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.946 6.152 1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.557 5.555 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.060 6.568 0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.784 7.657 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.038 7.594 2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.427 8.909 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.064 9.784 1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.287 10.147 0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.306 9.077 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.128 8.494 0.145 1.00 0.00 H new ATOM 828 N ILE A 56 -0.870 4.437 -0.564 1.00 0.00 N ATOM 829 CA ILE A 56 0.384 4.313 -1.296 1.00 0.00 C ATOM 830 C ILE A 56 0.286 3.242 -2.377 1.00 0.00 C ATOM 831 O ILE A 56 0.494 3.518 -3.560 1.00 0.00 O ATOM 832 CB ILE A 56 1.553 3.969 -0.354 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.748 5.080 0.679 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.830 3.751 -1.153 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.401 4.608 1.959 1.00 0.00 C ATOM 0 H ILE A 56 -0.813 4.171 0.419 1.00 0.00 H new ATOM 0 HA ILE A 56 0.575 5.280 -1.762 1.00 0.00 H new ATOM 0 HB ILE A 56 1.315 3.046 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.357 5.870 0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.779 5.519 0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.647 3.509 -0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.685 2.929 -1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.074 4.659 -1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.507 5.449 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.782 3.839 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.385 4.196 1.735 1.00 0.00 H new ATOM 847 N LEU A 57 -0.035 2.021 -1.965 1.00 0.00 N ATOM 848 CA LEU A 57 -0.163 0.907 -2.899 1.00 0.00 C ATOM 849 C LEU A 57 -0.986 1.312 -4.118 1.00 0.00 C ATOM 850 O LEU A 57 -0.741 0.841 -5.230 1.00 0.00 O ATOM 851 CB LEU A 57 -0.812 -0.292 -2.207 1.00 0.00 C ATOM 852 CG LEU A 57 0.109 -1.141 -1.330 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.657 -2.306 -0.722 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.297 -1.645 -2.137 1.00 0.00 C ATOM 0 H LEU A 57 -0.212 1.777 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 57 0.836 0.628 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.634 0.071 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.247 -0.936 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 57 0.484 -0.517 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.015 -2.899 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.474 -1.924 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.061 -2.931 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.942 -2.247 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.940 -2.253 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.860 -0.796 -2.524 1.00 0.00 H new ATOM 866 N LYS A 58 -1.960 2.189 -3.904 1.00 0.00 N ATOM 867 CA LYS A 58 -2.818 2.660 -4.985 1.00 0.00 C ATOM 868 C LYS A 58 -2.099 3.706 -5.832 1.00 0.00 C ATOM 869 O LYS A 58 -1.920 3.525 -7.036 1.00 0.00 O ATOM 870 CB LYS A 58 -4.111 3.250 -4.417 1.00 0.00 C ATOM 871 CG LYS A 58 -5.289 3.166 -5.373 1.00 0.00 C ATOM 872 CD LYS A 58 -6.557 3.717 -4.745 1.00 0.00 C ATOM 873 CE LYS A 58 -7.491 4.300 -5.794 1.00 0.00 C ATOM 874 NZ LYS A 58 -8.757 4.802 -5.192 1.00 0.00 N ATOM 0 H LYS A 58 -2.176 2.589 -2.991 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.063 1.808 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.364 2.728 -3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.940 4.294 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.061 3.722 -6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.448 2.128 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.069 2.923 -4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.299 4.487 -4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.988 5.115 -6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.720 3.539 -6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.366 5.191 -5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.250 4.019 -4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.541 5.547 -4.499 1.00 0.00 H new ATOM 888 N ASN A 59 -1.689 4.798 -5.195 1.00 0.00 N ATOM 889 CA ASN A 59 -0.989 5.871 -5.891 1.00 0.00 C ATOM 890 C ASN A 59 -0.056 5.309 -6.960 1.00 0.00 C ATOM 891 O ASN A 59 -0.098 5.726 -8.118 1.00 0.00 O ATOM 892 CB ASN A 59 -0.192 6.717 -4.896 1.00 0.00 C ATOM 893 CG ASN A 59 -0.997 7.882 -4.353 1.00 0.00 C ATOM 894 OD1 ASN A 59 -0.563 9.032 -4.413 1.00 0.00 O ATOM 895 ND2 ASN A 59 -2.177 7.587 -3.819 1.00 0.00 N ATOM 0 H ASN A 59 -1.829 4.963 -4.198 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.733 6.500 -6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.135 6.088 -4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.707 7.095 -5.383 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.764 8.329 -3.437 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.496 6.619 -3.791 1.00 0.00 H new ATOM 902 N LEU A 60 0.784 4.360 -6.563 1.00 0.00 N ATOM 903 CA LEU A 60 1.727 3.739 -7.486 1.00 0.00 C ATOM 904 C LEU A 60 0.994 3.034 -8.623 1.00 0.00 C ATOM 905 O LEU A 60 1.440 3.055 -9.769 1.00 0.00 O ATOM 906 CB LEU A 60 2.617 2.741 -6.743 1.00 0.00 C ATOM 907 CG LEU A 60 3.439 3.308 -5.585 1.00 0.00 C ATOM 908 CD1 LEU A 60 4.101 2.186 -4.801 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.482 4.289 -6.100 1.00 0.00 C ATOM 0 H LEU A 60 0.831 4.004 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 60 2.350 4.526 -7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.987 1.940 -6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.301 2.290 -7.461 1.00 0.00 H new ATOM 0 HG LEU A 60 2.766 3.844 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.682 2.609 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.336 1.522 -4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.761 1.622 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.057 4.682 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.152 3.778 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.985 5.111 -6.616 1.00 0.00 H new ATOM 921 N GLU A 61 -0.136 2.413 -8.296 1.00 0.00 N ATOM 922 CA GLU A 61 -0.932 1.704 -9.291 1.00 0.00 C ATOM 923 C GLU A 61 -1.515 2.674 -10.314 1.00 0.00 C ATOM 924 O GLU A 61 -1.884 2.280 -11.420 1.00 0.00 O ATOM 925 CB GLU A 61 -2.059 0.922 -8.612 1.00 0.00 C ATOM 926 CG GLU A 61 -1.628 -0.438 -8.091 1.00 0.00 C ATOM 927 CD GLU A 61 -2.801 -1.295 -7.657 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.747 -0.743 -7.056 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.774 -2.516 -7.917 1.00 0.00 O ATOM 0 H GLU A 61 -0.520 2.387 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.277 1.005 -9.812 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.451 1.512 -7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.875 0.788 -9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.069 -0.960 -8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.951 -0.302 -7.248 1.00 0.00 H new ATOM 936 N SER A 62 -1.597 3.946 -9.935 1.00 0.00 N ATOM 937 CA SER A 62 -2.139 4.973 -10.816 1.00 0.00 C ATOM 938 C SER A 62 -1.021 5.699 -11.558 1.00 0.00 C ATOM 939 O SER A 62 -1.209 6.176 -12.677 1.00 0.00 O ATOM 940 CB SER A 62 -2.970 5.976 -10.014 1.00 0.00 C ATOM 941 OG SER A 62 -3.891 6.658 -10.848 1.00 0.00 O ATOM 0 H SER A 62 -1.295 4.289 -9.023 1.00 0.00 H new ATOM 0 HA SER A 62 -2.780 4.485 -11.550 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.508 5.456 -9.222 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.310 6.696 -9.531 1.00 0.00 H new ATOM 0 HG SER A 62 -4.411 7.292 -10.311 1.00 0.00 H new ATOM 947 N LYS A 63 0.145 5.779 -10.925 1.00 0.00 N ATOM 948 CA LYS A 63 1.296 6.445 -11.523 1.00 0.00 C ATOM 949 C LYS A 63 2.040 5.504 -12.465 1.00 0.00 C ATOM 950 O LYS A 63 3.201 5.737 -12.803 1.00 0.00 O ATOM 951 CB LYS A 63 2.244 6.946 -10.431 1.00 0.00 C ATOM 952 CG LYS A 63 1.561 7.799 -9.377 1.00 0.00 C ATOM 953 CD LYS A 63 2.243 7.668 -8.025 1.00 0.00 C ATOM 954 CE LYS A 63 3.365 8.683 -7.867 1.00 0.00 C ATOM 955 NZ LYS A 63 2.892 10.074 -8.108 1.00 0.00 N ATOM 0 H LYS A 63 0.318 5.391 -9.998 1.00 0.00 H new ATOM 0 HA LYS A 63 0.934 7.296 -12.100 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.711 6.089 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.043 7.525 -10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.570 8.843 -9.691 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.516 7.502 -9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.509 7.808 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.644 6.660 -7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.782 8.610 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.169 8.447 -8.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.467 10.738 -7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.982 10.301 -9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.895 10.156 -7.823 1.00 0.00 H new ATOM 969 N LYS A 64 1.365 4.440 -12.887 1.00 0.00 N ATOM 970 CA LYS A 64 1.961 3.465 -13.793 1.00 0.00 C ATOM 971 C LYS A 64 3.269 2.923 -13.225 1.00 0.00 C ATOM 972 O LYS A 64 4.188 2.585 -13.971 1.00 0.00 O ATOM 973 CB LYS A 64 2.211 4.098 -15.164 1.00 0.00 C ATOM 974 CG LYS A 64 0.948 4.286 -15.986 1.00 0.00 C ATOM 975 CD LYS A 64 1.064 5.479 -16.920 1.00 0.00 C ATOM 976 CE LYS A 64 -0.044 5.481 -17.962 1.00 0.00 C ATOM 977 NZ LYS A 64 -1.372 5.782 -17.359 1.00 0.00 N ATOM 0 H LYS A 64 0.404 4.231 -12.616 1.00 0.00 H new ATOM 0 HA LYS A 64 1.263 2.636 -13.905 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.692 5.066 -15.026 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.908 3.473 -15.722 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.754 3.385 -16.568 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.096 4.425 -15.320 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.022 6.401 -16.341 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.033 5.460 -17.418 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.182 6.220 -18.731 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.081 4.510 -18.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.100 5.774 -18.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.599 5.063 -16.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.345 6.720 -16.911 1.00 0.00 H new ATOM 991 N LEU A 65 3.345 2.842 -11.901 1.00 0.00 N ATOM 992 CA LEU A 65 4.540 2.339 -11.233 1.00 0.00 C ATOM 993 C LEU A 65 4.363 0.880 -10.826 1.00 0.00 C ATOM 994 O LEU A 65 5.325 0.112 -10.799 1.00 0.00 O ATOM 995 CB LEU A 65 4.855 3.189 -10.001 1.00 0.00 C ATOM 996 CG LEU A 65 5.373 4.602 -10.275 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.707 5.310 -8.971 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.590 4.556 -11.187 1.00 0.00 C ATOM 0 H LEU A 65 2.593 3.118 -11.269 1.00 0.00 H new ATOM 0 HA LEU A 65 5.372 2.403 -11.934 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.951 3.266 -9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.596 2.662 -9.400 1.00 0.00 H new ATOM 0 HG LEU A 65 4.588 5.165 -10.779 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.074 6.314 -9.186 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.812 5.375 -8.353 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.475 4.749 -8.439 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.945 5.570 -11.371 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.380 3.976 -10.710 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.318 4.089 -12.134 1.00 0.00 H new ATOM 1010 N ILE A 66 3.128 0.504 -10.513 1.00 0.00 N ATOM 1011 CA ILE A 66 2.825 -0.864 -10.111 1.00 0.00 C ATOM 1012 C ILE A 66 1.430 -1.276 -10.570 1.00 0.00 C ATOM 1013 O ILE A 66 0.731 -0.510 -11.234 1.00 0.00 O ATOM 1014 CB ILE A 66 2.922 -1.037 -8.583 1.00 0.00 C ATOM 1015 CG1 ILE A 66 1.759 -0.321 -7.892 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.254 -0.508 -8.074 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.587 -0.710 -6.441 1.00 0.00 C ATOM 0 H ILE A 66 2.321 1.127 -10.530 1.00 0.00 H new ATOM 0 HA ILE A 66 3.566 -1.504 -10.589 1.00 0.00 H new ATOM 0 HB ILE A 66 2.861 -2.100 -8.348 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.917 0.756 -7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.837 -0.540 -8.430 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.308 -0.637 -6.993 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.068 -1.058 -8.546 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.342 0.551 -8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.745 -0.164 -6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.398 -1.781 -6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.494 -0.465 -5.889 1.00 0.00 H new ATOM 1029 N LYS A 67 1.030 -2.491 -10.210 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.283 -3.005 -10.582 1.00 0.00 C ATOM 1031 C LYS A 67 -0.701 -4.147 -9.661 1.00 0.00 C ATOM 1032 O LYS A 67 0.124 -4.710 -8.941 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.273 -3.486 -12.035 1.00 0.00 C ATOM 1034 CG LYS A 67 0.736 -4.589 -12.303 1.00 0.00 C ATOM 1035 CD LYS A 67 0.468 -5.278 -13.631 1.00 0.00 C ATOM 1036 CE LYS A 67 1.193 -6.613 -13.722 1.00 0.00 C ATOM 1037 NZ LYS A 67 0.616 -7.486 -14.781 1.00 0.00 N ATOM 0 H LYS A 67 1.596 -3.138 -9.661 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.005 -2.195 -10.479 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.269 -3.844 -12.297 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.056 -2.640 -12.688 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.742 -4.170 -12.306 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.698 -5.322 -11.497 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.604 -5.436 -13.751 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.788 -4.632 -14.449 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.249 -6.439 -13.930 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.137 -7.123 -12.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.137 -8.386 -14.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.385 -7.673 -14.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.692 -7.010 -15.703 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.986 -4.484 -9.689 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.512 -5.561 -8.859 1.00 0.00 C ATOM 1053 C ALA A 68 -2.579 -6.871 -9.637 1.00 0.00 C ATOM 1054 O ALA A 68 -3.189 -6.940 -10.704 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.887 -5.192 -8.324 1.00 0.00 C ATOM 0 H ALA A 68 -2.682 -4.027 -10.278 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.833 -5.702 -8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.267 -6.005 -7.706 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.813 -4.285 -7.724 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.568 -5.021 -9.158 1.00 0.00 H new ATOM 1061 N VAL A 69 -1.948 -7.908 -9.096 1.00 0.00 N ATOM 1062 CA VAL A 69 -1.937 -9.217 -9.740 1.00 0.00 C ATOM 1063 C VAL A 69 -2.408 -10.305 -8.781 1.00 0.00 C ATOM 1064 O VAL A 69 -2.242 -10.192 -7.566 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.531 -9.576 -10.256 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.457 -11.051 -10.622 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.162 -8.704 -11.446 1.00 0.00 C ATOM 0 H VAL A 69 -1.438 -7.868 -8.214 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.623 -9.160 -10.585 1.00 0.00 H new ATOM 0 HB VAL A 69 0.189 -9.387 -9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.544 -11.286 -10.985 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.675 -11.656 -9.742 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.186 -11.269 -11.402 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.834 -8.971 -11.798 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.884 -8.859 -12.248 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.172 -7.656 -11.146 1.00 0.00 H new ATOM 1223 N VAL A 79 -1.848 -8.846 -4.637 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.410 -8.676 -4.809 1.00 0.00 C ATOM 1225 C VAL A 79 -0.100 -7.451 -5.662 1.00 0.00 C ATOM 1226 O VAL A 79 -0.748 -7.211 -6.682 1.00 0.00 O ATOM 1227 CB VAL A 79 0.228 -9.917 -5.460 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.746 -9.814 -5.430 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.243 -11.185 -4.764 1.00 0.00 C ATOM 0 HA VAL A 79 0.014 -8.539 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.089 -9.963 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.180 -10.700 -5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.061 -8.926 -5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.085 -9.743 -4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.218 -12.052 -5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.043 -11.151 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.327 -11.262 -4.843 1.00 0.00 H new ATOM 1239 N TYR A 80 0.894 -6.679 -5.240 1.00 0.00 N ATOM 1240 CA TYR A 80 1.290 -5.477 -5.964 1.00 0.00 C ATOM 1241 C TYR A 80 2.726 -5.592 -6.467 1.00 0.00 C ATOM 1242 O TYR A 80 3.666 -5.682 -5.679 1.00 0.00 O ATOM 1243 CB TYR A 80 1.149 -4.246 -5.067 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.270 -3.983 -4.618 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.771 -4.561 -3.457 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -1.111 -3.158 -5.354 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.067 -4.324 -3.044 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -2.409 -2.914 -4.947 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.882 -3.500 -3.791 1.00 0.00 C ATOM 1250 OH TYR A 80 -4.174 -3.261 -3.383 1.00 0.00 O ATOM 0 H TYR A 80 1.441 -6.864 -4.399 1.00 0.00 H new ATOM 0 HA TYR A 80 0.630 -5.368 -6.825 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.781 -4.373 -4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.519 -3.372 -5.603 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.136 -5.206 -2.868 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.744 -2.699 -6.260 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.441 -4.782 -2.140 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.049 -2.269 -5.530 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.612 -2.659 -4.020 1.00 0.00 H new ATOM 1260 N MET A 81 2.885 -5.588 -7.787 1.00 0.00 N ATOM 1261 CA MET A 81 4.206 -5.690 -8.397 1.00 0.00 C ATOM 1262 C MET A 81 4.434 -4.555 -9.391 1.00 0.00 C ATOM 1263 O MET A 81 3.540 -3.747 -9.642 1.00 0.00 O ATOM 1264 CB MET A 81 4.363 -7.039 -9.100 1.00 0.00 C ATOM 1265 CG MET A 81 3.729 -7.083 -10.481 1.00 0.00 C ATOM 1266 SD MET A 81 4.120 -8.598 -11.377 1.00 0.00 S ATOM 1267 CE MET A 81 3.258 -9.812 -10.382 1.00 0.00 C ATOM 0 H MET A 81 2.117 -5.515 -8.454 1.00 0.00 H new ATOM 0 HA MET A 81 4.952 -5.612 -7.606 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.424 -7.272 -9.189 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.917 -7.817 -8.480 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.647 -6.992 -10.383 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.069 -6.225 -11.060 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.208 -10.757 -10.923 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.793 -9.960 -9.444 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.248 -9.460 -10.172 1.00 0.00 H new ATOM 1277 N LEU A 82 5.637 -4.501 -9.953 1.00 0.00 N ATOM 1278 CA LEU A 82 5.983 -3.465 -10.920 1.00 0.00 C ATOM 1279 C LEU A 82 5.011 -3.471 -12.096 1.00 0.00 C ATOM 1280 O LEU A 82 4.573 -4.530 -12.547 1.00 0.00 O ATOM 1281 CB LEU A 82 7.413 -3.668 -11.424 1.00 0.00 C ATOM 1282 CG LEU A 82 8.528 -3.256 -10.463 1.00 0.00 C ATOM 1283 CD1 LEU A 82 9.784 -4.074 -10.721 1.00 0.00 C ATOM 1284 CD2 LEU A 82 8.822 -1.769 -10.592 1.00 0.00 C ATOM 0 H LEU A 82 6.388 -5.162 -9.756 1.00 0.00 H new ATOM 0 HA LEU A 82 5.914 -2.498 -10.421 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.544 -4.722 -11.670 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.533 -3.107 -12.351 1.00 0.00 H new ATOM 0 HG LEU A 82 8.194 -3.452 -9.444 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.567 -3.767 -10.028 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.565 -5.132 -10.576 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.121 -3.910 -11.745 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.618 -1.494 -9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.135 -1.547 -11.612 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.924 -1.199 -10.356 1.00 0.00 H new ATOM 1296 N TYR A 83 4.681 -2.283 -12.590 1.00 0.00 N ATOM 1297 CA TYR A 83 3.761 -2.151 -13.714 1.00 0.00 C ATOM 1298 C TYR A 83 4.460 -2.477 -15.030 1.00 0.00 C ATOM 1299 O TYR A 83 3.845 -3.000 -15.959 1.00 0.00 O ATOM 1300 CB TYR A 83 3.186 -0.735 -13.766 1.00 0.00 C ATOM 1301 CG TYR A 83 2.135 -0.547 -14.836 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.098 -1.459 -14.987 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.178 0.544 -15.696 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.136 -1.292 -15.964 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.220 0.720 -16.675 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.201 -0.201 -16.805 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.756 -0.030 -17.779 1.00 0.00 O ATOM 0 H TYR A 83 5.037 -1.397 -12.230 1.00 0.00 H new ATOM 0 HA TYR A 83 2.947 -2.861 -13.570 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.752 -0.492 -12.796 1.00 0.00 H new ATOM 0 HB3 TYR A 83 3.998 -0.028 -13.938 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.043 -2.314 -14.329 1.00 0.00 H new ATOM 0 HD2 TYR A 83 2.974 1.267 -15.597 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.662 -2.012 -16.069 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.268 1.574 -17.335 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.566 0.788 -18.284 1.00 0.00 H new ATOM 1317 N ASN A 84 5.749 -2.165 -15.102 1.00 0.00 N ATOM 1318 CA ASN A 84 6.533 -2.424 -16.304 1.00 0.00 C ATOM 1319 C ASN A 84 6.691 -3.924 -16.537 1.00 0.00 C ATOM 1320 O ASN A 84 6.853 -4.373 -17.673 1.00 0.00 O ATOM 1321 CB ASN A 84 7.910 -1.767 -16.192 1.00 0.00 C ATOM 1322 CG ASN A 84 7.877 -0.292 -16.545 1.00 0.00 C ATOM 1323 OD1 ASN A 84 6.850 0.370 -16.399 1.00 0.00 O ATOM 1324 ND2 ASN A 84 9.005 0.229 -17.014 1.00 0.00 N ATOM 0 H ASN A 84 6.274 -1.732 -14.342 1.00 0.00 H new ATOM 0 HA ASN A 84 6.001 -1.995 -17.154 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.285 -1.886 -15.175 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.609 -2.280 -16.852 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.043 1.216 -17.270 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.833 -0.358 -17.119 1.00 0.00 H new