USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 561 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 73 THR OG1 : rot 49:sc= -3.52! USER MOD Set 1.2: A 77 ASN : amide:sc= -5.98! C(o=-9.5!,f=-11!) USER MOD Set 2.1: A 56 MET CE :methyl -149:sc= -2.62 (180deg=-5.13!) USER MOD Set 2.2: A 64 MET CE :methyl -143:sc= -0.839 (180deg=-3.64!) USER MOD Set 3.1: A 29 GLN : amide:sc= -1.56 K(o=-3.4,f=-4.1) USER MOD Set 3.2: A 55 ASN : amide:sc= -1.79 K(o=-3.4,f=-4.1) USER MOD Set 4.1: A 51 SER OG : rot -49:sc= 1.15 USER MOD Set 4.2: A 54 GLN : amide:sc= 0.896 K(o=2,f=-2.2!) USER MOD Set 5.1: A 43 TYR OH : rot 130:sc= -0.321 USER MOD Set 5.2: A 84 HIS : no HD1:sc= -1.26 K(o=-1.6,f=0.17) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0654 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 31 HIS : no HD1:sc= -2.31! X(o=-2.3!,f=-2.5) USER MOD Single : A 34 GLN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 70:sc= -0.933 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.22 K(o=-1.2,f=-5.1!) USER MOD Single : A 66 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.126) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 81:sc= 0.806 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 5.328 13.849 22.992 1.00 0.00 N ATOM 266 CA VAL A 20 4.995 13.166 24.236 1.00 0.00 C ATOM 267 C VAL A 20 6.174 13.174 25.201 1.00 0.00 C ATOM 268 O VAL A 20 7.336 13.241 24.800 1.00 0.00 O ATOM 269 CB VAL A 20 4.567 11.709 23.978 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.297 11.665 23.142 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.689 10.936 23.301 1.00 0.00 C ATOM 0 HA VAL A 20 4.162 13.709 24.682 1.00 0.00 H new ATOM 0 HB VAL A 20 4.358 11.235 24.937 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.010 10.628 22.970 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.495 12.180 23.671 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.474 12.156 22.185 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.369 9.909 23.126 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.932 11.407 22.349 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.570 10.938 23.942 1.00 0.00 H new ATOM 281 N PRO A 21 5.872 13.105 26.506 1.00 0.00 N ATOM 282 CA PRO A 21 6.894 13.103 27.557 1.00 0.00 C ATOM 283 C PRO A 21 7.702 11.810 27.576 1.00 0.00 C ATOM 284 O PRO A 21 7.223 10.761 27.146 1.00 0.00 O ATOM 285 CB PRO A 21 6.079 13.242 28.845 1.00 0.00 C ATOM 286 CG PRO A 21 4.736 12.693 28.505 1.00 0.00 C ATOM 287 CD PRO A 21 4.508 13.024 27.056 1.00 0.00 C ATOM 0 HA PRO A 21 7.628 13.896 27.413 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.537 12.689 29.665 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.013 14.283 29.161 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.702 11.616 28.669 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.963 13.136 29.133 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.918 12.256 26.556 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.971 13.965 26.938 1.00 0.00 H new ATOM 295 N ALA A 22 8.930 11.892 28.077 1.00 0.00 N ATOM 296 CA ALA A 22 9.804 10.728 28.155 1.00 0.00 C ATOM 297 C ALA A 22 9.102 9.559 28.838 1.00 0.00 C ATOM 298 O ALA A 22 8.806 8.545 28.206 1.00 0.00 O ATOM 299 CB ALA A 22 11.087 11.079 28.892 1.00 0.00 C ATOM 0 H ALA A 22 9.342 12.753 28.435 1.00 0.00 H new ATOM 0 HA ALA A 22 10.054 10.424 27.139 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.730 10.200 28.942 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.605 11.877 28.361 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.847 11.411 29.902 1.00 0.00 H new ATOM 305 N ASP A 23 8.838 9.708 30.131 1.00 0.00 N ATOM 306 CA ASP A 23 8.171 8.664 30.900 1.00 0.00 C ATOM 307 C ASP A 23 6.894 8.206 30.202 1.00 0.00 C ATOM 308 O ASP A 23 5.897 8.926 30.142 1.00 0.00 O ATOM 309 CB ASP A 23 7.844 9.168 32.307 1.00 0.00 C ATOM 310 CG ASP A 23 8.687 8.496 33.373 1.00 0.00 C ATOM 311 OD1 ASP A 23 8.942 7.279 33.249 1.00 0.00 O ATOM 312 OD2 ASP A 23 9.092 9.186 34.331 1.00 0.00 O ATOM 0 H ASP A 23 9.076 10.541 30.669 1.00 0.00 H new ATOM 0 HA ASP A 23 8.848 7.813 30.974 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.001 10.246 32.349 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.789 8.991 32.517 1.00 0.00 H new ATOM 317 N PRO A 24 6.924 6.981 29.658 1.00 0.00 N ATOM 318 CA PRO A 24 5.778 6.399 28.952 1.00 0.00 C ATOM 319 C PRO A 24 4.629 6.060 29.895 1.00 0.00 C ATOM 320 O PRO A 24 3.500 5.832 29.458 1.00 0.00 O ATOM 321 CB PRO A 24 6.354 5.125 28.330 1.00 0.00 C ATOM 322 CG PRO A 24 7.507 4.765 29.202 1.00 0.00 C ATOM 323 CD PRO A 24 8.079 6.068 29.690 1.00 0.00 C ATOM 0 HA PRO A 24 5.353 7.090 28.224 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.612 4.327 28.305 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.673 5.296 27.302 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.185 4.143 30.037 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.252 4.195 28.648 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.490 5.975 30.695 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.886 6.418 29.047 1.00 0.00 H new ATOM 331 N THR A 25 4.922 6.028 31.191 1.00 0.00 N ATOM 332 CA THR A 25 3.913 5.716 32.196 1.00 0.00 C ATOM 333 C THR A 25 3.012 6.916 32.461 1.00 0.00 C ATOM 334 O THR A 25 1.883 6.766 32.930 1.00 0.00 O ATOM 335 CB THR A 25 4.559 5.270 33.521 1.00 0.00 C ATOM 336 OG1 THR A 25 5.828 5.913 33.688 1.00 0.00 O ATOM 337 CG2 THR A 25 4.742 3.760 33.553 1.00 0.00 C ATOM 0 H THR A 25 5.851 6.214 31.570 1.00 0.00 H new ATOM 0 HA THR A 25 3.314 4.896 31.799 1.00 0.00 H new ATOM 0 HB THR A 25 3.896 5.557 34.337 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.232 5.626 34.534 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.200 3.469 34.498 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.771 3.274 33.455 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.386 3.454 32.729 1.00 0.00 H new ATOM 345 N LEU A 26 3.517 8.108 32.159 1.00 0.00 N ATOM 346 CA LEU A 26 2.756 9.335 32.365 1.00 0.00 C ATOM 347 C LEU A 26 1.885 9.646 31.152 1.00 0.00 C ATOM 348 O LEU A 26 1.072 10.569 31.179 1.00 0.00 O ATOM 349 CB LEU A 26 3.702 10.505 32.640 1.00 0.00 C ATOM 350 CG LEU A 26 4.617 10.356 33.857 1.00 0.00 C ATOM 351 CD1 LEU A 26 5.622 11.496 33.911 1.00 0.00 C ATOM 352 CD2 LEU A 26 3.796 10.305 35.137 1.00 0.00 C ATOM 0 H LEU A 26 4.450 8.250 31.771 1.00 0.00 H new ATOM 0 HA LEU A 26 2.107 9.190 33.228 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.325 10.658 31.759 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.104 11.407 32.768 1.00 0.00 H new ATOM 0 HG LEU A 26 5.166 9.419 33.763 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.264 11.374 34.783 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.231 11.487 33.007 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.092 12.446 33.982 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.463 10.199 35.993 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.221 11.225 35.237 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.116 9.454 35.099 1.00 0.00 H new ATOM 364 N TRP A 27 2.060 8.868 30.090 1.00 0.00 N ATOM 365 CA TRP A 27 1.288 9.059 28.867 1.00 0.00 C ATOM 366 C TRP A 27 -0.207 8.969 29.148 1.00 0.00 C ATOM 367 O TRP A 27 -0.669 8.048 29.823 1.00 0.00 O ATOM 368 CB TRP A 27 1.687 8.018 27.820 1.00 0.00 C ATOM 369 CG TRP A 27 2.993 8.320 27.149 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.729 9.465 27.265 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.717 7.464 26.258 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.866 9.372 26.499 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.882 8.155 25.872 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.494 6.182 25.749 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.819 7.604 25.002 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.425 5.637 24.885 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.576 6.347 24.519 1.00 0.00 C ATOM 0 H TRP A 27 2.729 8.099 30.051 1.00 0.00 H new ATOM 0 HA TRP A 27 1.506 10.054 28.480 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.749 7.040 28.296 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.904 7.955 27.064 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.457 10.318 27.870 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.582 10.093 26.412 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.610 5.627 26.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.707 8.150 24.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.262 4.647 24.485 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.285 5.893 23.843 1.00 0.00 H new ATOM 388 N THR A 28 -0.963 9.930 28.625 1.00 0.00 N ATOM 389 CA THR A 28 -2.407 9.959 28.820 1.00 0.00 C ATOM 390 C THR A 28 -3.110 9.003 27.864 1.00 0.00 C ATOM 391 O THR A 28 -2.467 8.344 27.047 1.00 0.00 O ATOM 392 CB THR A 28 -2.972 11.377 28.619 1.00 0.00 C ATOM 393 OG1 THR A 28 -2.944 11.723 27.230 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.174 12.397 29.417 1.00 0.00 C ATOM 0 H THR A 28 -0.598 10.699 28.063 1.00 0.00 H new ATOM 0 HA THR A 28 -2.594 9.644 29.847 1.00 0.00 H new ATOM 0 HB THR A 28 -4.002 11.387 28.975 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.307 12.626 27.110 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.592 13.391 29.259 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.222 12.148 30.477 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.135 12.384 29.088 1.00 0.00 H new ATOM 402 N GLN A 29 -4.433 8.933 27.971 1.00 0.00 N ATOM 403 CA GLN A 29 -5.223 8.057 27.114 1.00 0.00 C ATOM 404 C GLN A 29 -5.079 8.454 25.649 1.00 0.00 C ATOM 405 O GLN A 29 -5.393 7.673 24.751 1.00 0.00 O ATOM 406 CB GLN A 29 -6.696 8.101 27.524 1.00 0.00 C ATOM 407 CG GLN A 29 -7.262 6.743 27.907 1.00 0.00 C ATOM 408 CD GLN A 29 -8.656 6.837 28.497 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.599 7.256 27.826 1.00 0.00 O ATOM 410 NE2 GLN A 29 -8.792 6.446 29.758 1.00 0.00 N ATOM 0 H GLN A 29 -4.980 9.472 28.642 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.850 7.040 27.234 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.810 8.783 28.366 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.282 8.510 26.701 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.287 6.102 27.026 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.598 6.267 28.628 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.982 6.105 30.276 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.706 6.486 30.209 1.00 0.00 H new ATOM 419 N GLU A 30 -4.601 9.672 25.415 1.00 0.00 N ATOM 420 CA GLU A 30 -4.416 10.172 24.057 1.00 0.00 C ATOM 421 C GLU A 30 -2.981 9.953 23.588 1.00 0.00 C ATOM 422 O GLU A 30 -2.740 9.616 22.428 1.00 0.00 O ATOM 423 CB GLU A 30 -4.767 11.659 23.985 1.00 0.00 C ATOM 424 CG GLU A 30 -4.603 12.257 22.598 1.00 0.00 C ATOM 425 CD GLU A 30 -5.834 13.016 22.141 1.00 0.00 C ATOM 426 OE1 GLU A 30 -6.204 14.004 22.809 1.00 0.00 O ATOM 427 OE2 GLU A 30 -6.426 12.622 21.114 1.00 0.00 O ATOM 0 H GLU A 30 -4.335 10.330 26.147 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.084 9.617 23.398 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.798 11.796 24.311 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.136 12.207 24.685 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.745 12.929 22.595 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.387 11.460 21.886 1.00 0.00 H new ATOM 434 N HIS A 31 -2.031 10.148 24.497 1.00 0.00 N ATOM 435 CA HIS A 31 -0.619 9.973 24.176 1.00 0.00 C ATOM 436 C HIS A 31 -0.348 8.560 23.669 1.00 0.00 C ATOM 437 O HIS A 31 0.248 8.374 22.608 1.00 0.00 O ATOM 438 CB HIS A 31 0.244 10.260 25.406 1.00 0.00 C ATOM 439 CG HIS A 31 0.505 11.718 25.628 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.851 12.242 26.855 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.470 12.764 24.769 1.00 0.00 C ATOM 442 CE1 HIS A 31 1.016 13.548 26.743 1.00 0.00 C ATOM 443 NE2 HIS A 31 0.792 13.890 25.487 1.00 0.00 N ATOM 0 H HIS A 31 -2.213 10.427 25.461 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.361 10.679 23.387 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.247 9.849 26.288 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.197 9.741 25.300 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.233 12.721 23.716 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.288 14.221 27.542 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.849 14.837 25.111 1.00 0.00 H new ATOM 451 N VAL A 32 -0.791 7.567 24.433 1.00 0.00 N ATOM 452 CA VAL A 32 -0.597 6.170 24.061 1.00 0.00 C ATOM 453 C VAL A 32 -1.071 5.911 22.635 1.00 0.00 C ATOM 454 O VAL A 32 -0.524 5.060 21.934 1.00 0.00 O ATOM 455 CB VAL A 32 -1.345 5.225 25.019 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.235 3.784 24.543 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.810 5.369 26.436 1.00 0.00 C ATOM 0 H VAL A 32 -1.287 7.704 25.314 1.00 0.00 H new ATOM 0 HA VAL A 32 0.472 5.970 24.128 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.399 5.502 25.023 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.770 3.131 25.233 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.671 3.695 23.548 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.186 3.492 24.507 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.350 4.694 27.099 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.251 5.121 26.451 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.947 6.396 26.774 1.00 0.00 H new ATOM 467 N ARG A 33 -2.091 6.651 22.213 1.00 0.00 N ATOM 468 CA ARG A 33 -2.639 6.500 20.871 1.00 0.00 C ATOM 469 C ARG A 33 -1.721 7.140 19.833 1.00 0.00 C ATOM 470 O ARG A 33 -1.280 6.482 18.892 1.00 0.00 O ATOM 471 CB ARG A 33 -4.032 7.129 20.792 1.00 0.00 C ATOM 472 CG ARG A 33 -5.096 6.349 21.546 1.00 0.00 C ATOM 473 CD ARG A 33 -6.496 6.767 21.126 1.00 0.00 C ATOM 474 NE ARG A 33 -6.904 6.132 19.875 1.00 0.00 N ATOM 475 CZ ARG A 33 -8.159 6.103 19.441 1.00 0.00 C ATOM 476 NH1 ARG A 33 -9.124 6.671 20.153 1.00 0.00 N ATOM 477 NH2 ARG A 33 -8.452 5.507 18.293 1.00 0.00 N ATOM 0 H ARG A 33 -2.554 7.361 22.781 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.716 5.434 20.655 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.987 8.143 21.190 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.326 7.210 19.746 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.964 5.282 21.364 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.974 6.507 22.617 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.204 6.506 21.913 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.532 7.850 21.011 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.186 5.687 19.304 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.903 7.131 21.036 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.087 6.647 19.817 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.713 5.070 17.742 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.416 5.486 17.961 1.00 0.00 H new ATOM 491 N GLN A 34 -1.439 8.426 20.014 1.00 0.00 N ATOM 492 CA GLN A 34 -0.575 9.155 19.092 1.00 0.00 C ATOM 493 C GLN A 34 0.743 8.417 18.884 1.00 0.00 C ATOM 494 O GLN A 34 1.220 8.285 17.756 1.00 0.00 O ATOM 495 CB GLN A 34 -0.305 10.565 19.620 1.00 0.00 C ATOM 496 CG GLN A 34 -1.370 11.576 19.226 1.00 0.00 C ATOM 497 CD GLN A 34 -1.044 12.980 19.696 1.00 0.00 C ATOM 498 OE1 GLN A 34 -0.251 13.687 19.074 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.656 13.392 20.801 1.00 0.00 N ATOM 0 H GLN A 34 -1.796 8.984 20.790 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.087 9.226 18.132 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.234 10.530 20.707 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.662 10.904 19.248 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.482 11.577 18.142 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.329 11.270 19.645 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.306 12.773 21.285 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.476 14.328 21.165 1.00 0.00 H new ATOM 508 N TRP A 35 1.326 7.938 19.976 1.00 0.00 N ATOM 509 CA TRP A 35 2.590 7.213 19.912 1.00 0.00 C ATOM 510 C TRP A 35 2.471 5.990 19.010 1.00 0.00 C ATOM 511 O TRP A 35 3.384 5.681 18.242 1.00 0.00 O ATOM 512 CB TRP A 35 3.029 6.786 21.314 1.00 0.00 C ATOM 513 CG TRP A 35 4.187 5.835 21.311 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.491 6.133 21.033 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.146 4.433 21.598 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.262 5.000 21.129 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.461 3.944 21.475 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.127 3.544 21.949 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.780 2.606 21.690 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.445 2.216 22.161 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.763 1.757 22.032 1.00 0.00 C ATOM 0 H TRP A 35 0.944 8.038 20.917 1.00 0.00 H new ATOM 0 HA TRP A 35 3.342 7.881 19.491 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.298 7.673 21.888 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.186 6.319 21.824 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.861 7.114 20.776 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.268 4.953 20.969 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.109 3.889 22.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.795 2.251 21.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.665 1.520 22.431 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.980 0.713 22.206 1.00 0.00 H new ATOM 532 N LEU A 36 1.342 5.296 19.106 1.00 0.00 N ATOM 533 CA LEU A 36 1.104 4.106 18.297 1.00 0.00 C ATOM 534 C LEU A 36 1.134 4.443 16.810 1.00 0.00 C ATOM 535 O LEU A 36 1.962 3.922 16.063 1.00 0.00 O ATOM 536 CB LEU A 36 -0.242 3.478 18.662 1.00 0.00 C ATOM 537 CG LEU A 36 -0.295 1.950 18.651 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.401 1.382 19.878 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.737 1.467 18.582 1.00 0.00 C ATOM 0 H LEU A 36 0.577 5.537 19.736 1.00 0.00 H new ATOM 0 HA LEU A 36 1.900 3.391 18.505 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.524 3.824 19.656 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.995 3.853 17.969 1.00 0.00 H new ATOM 0 HG LEU A 36 0.230 1.594 17.764 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.353 0.293 19.852 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.444 1.699 19.884 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.094 1.746 20.778 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.756 0.377 18.575 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.285 1.834 19.450 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.204 1.844 17.672 1.00 0.00 H new ATOM 551 N GLU A 37 0.228 5.319 16.389 1.00 0.00 N ATOM 552 CA GLU A 37 0.152 5.727 14.991 1.00 0.00 C ATOM 553 C GLU A 37 1.514 6.193 14.486 1.00 0.00 C ATOM 554 O GLU A 37 1.825 6.069 13.301 1.00 0.00 O ATOM 555 CB GLU A 37 -0.879 6.844 14.817 1.00 0.00 C ATOM 556 CG GLU A 37 -2.231 6.525 15.431 1.00 0.00 C ATOM 557 CD GLU A 37 -3.385 6.857 14.505 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.400 6.344 13.367 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.274 7.630 14.920 1.00 0.00 O ATOM 0 H GLU A 37 -0.464 5.760 16.995 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.158 4.863 14.403 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.492 7.758 15.267 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.010 7.043 13.753 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.269 5.466 15.687 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.344 7.082 16.361 1.00 0.00 H new ATOM 566 N TRP A 38 2.322 6.731 15.392 1.00 0.00 N ATOM 567 CA TRP A 38 3.651 7.217 15.039 1.00 0.00 C ATOM 568 C TRP A 38 4.595 6.057 14.744 1.00 0.00 C ATOM 569 O TRP A 38 5.108 5.930 13.633 1.00 0.00 O ATOM 570 CB TRP A 38 4.219 8.078 16.169 1.00 0.00 C ATOM 571 CG TRP A 38 5.675 8.390 16.004 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.249 9.118 15.001 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.742 7.981 16.867 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.608 9.186 15.188 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.936 8.498 16.326 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.806 7.231 18.044 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.176 8.286 16.923 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.037 7.022 18.635 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.209 7.548 18.075 1.00 0.00 C ATOM 0 H TRP A 38 2.080 6.842 16.377 1.00 0.00 H new ATOM 0 HA TRP A 38 3.560 7.825 14.139 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.659 9.011 16.222 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.070 7.563 17.118 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.713 9.573 14.181 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.266 9.671 14.578 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.909 6.822 18.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.080 8.690 16.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.097 6.443 19.545 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.156 7.368 18.562 1.00 0.00 H new ATOM 590 N ALA A 39 4.819 5.212 15.746 1.00 0.00 N ATOM 591 CA ALA A 39 5.699 4.061 15.592 1.00 0.00 C ATOM 592 C ALA A 39 5.323 3.243 14.361 1.00 0.00 C ATOM 593 O ALA A 39 6.181 2.629 13.726 1.00 0.00 O ATOM 594 CB ALA A 39 5.654 3.192 16.840 1.00 0.00 C ATOM 0 H ALA A 39 4.403 5.304 16.673 1.00 0.00 H new ATOM 0 HA ALA A 39 6.716 4.428 15.455 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.316 2.336 16.711 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.979 3.775 17.702 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.635 2.841 17.003 1.00 0.00 H new ATOM 600 N ILE A 40 4.036 3.238 14.030 1.00 0.00 N ATOM 601 CA ILE A 40 3.547 2.496 12.875 1.00 0.00 C ATOM 602 C ILE A 40 4.049 3.111 11.573 1.00 0.00 C ATOM 603 O ILE A 40 4.511 2.405 10.677 1.00 0.00 O ATOM 604 CB ILE A 40 2.008 2.447 12.847 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.476 1.740 14.096 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.523 1.745 11.587 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.088 2.187 14.498 1.00 0.00 C ATOM 0 H ILE A 40 3.313 3.740 14.546 1.00 0.00 H new ATOM 0 HA ILE A 40 3.933 1.481 12.967 1.00 0.00 H new ATOM 0 HB ILE A 40 1.627 3.468 12.840 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.465 0.665 13.918 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.161 1.919 14.925 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.433 1.718 11.582 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.877 2.286 10.710 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.911 0.727 11.566 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.225 1.645 15.390 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.097 3.257 14.708 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.610 1.982 13.686 1.00 0.00 H new ATOM 619 N LYS A 41 3.955 4.433 11.476 1.00 0.00 N ATOM 620 CA LYS A 41 4.402 5.147 10.285 1.00 0.00 C ATOM 621 C LYS A 41 5.919 5.302 10.281 1.00 0.00 C ATOM 622 O LYS A 41 6.519 5.597 9.248 1.00 0.00 O ATOM 623 CB LYS A 41 3.738 6.523 10.212 1.00 0.00 C ATOM 624 CG LYS A 41 4.095 7.434 11.374 1.00 0.00 C ATOM 625 CD LYS A 41 3.616 8.856 11.135 1.00 0.00 C ATOM 626 CE LYS A 41 4.487 9.574 10.115 1.00 0.00 C ATOM 627 NZ LYS A 41 3.756 9.828 8.843 1.00 0.00 N ATOM 0 H LYS A 41 3.573 5.032 12.208 1.00 0.00 H new ATOM 0 HA LYS A 41 4.112 4.563 9.411 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.027 7.008 9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.656 6.394 10.182 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.649 7.048 12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.175 7.433 11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.584 8.839 10.786 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.626 9.407 12.075 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.830 10.521 10.532 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.375 8.976 9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.383 10.319 8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.451 8.923 8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.923 10.420 9.034 1.00 0.00 H new ATOM 641 N GLU A 42 6.534 5.100 11.443 1.00 0.00 N ATOM 642 CA GLU A 42 7.982 5.217 11.571 1.00 0.00 C ATOM 643 C GLU A 42 8.665 3.890 11.254 1.00 0.00 C ATOM 644 O GLU A 42 9.676 3.852 10.552 1.00 0.00 O ATOM 645 CB GLU A 42 8.356 5.671 12.984 1.00 0.00 C ATOM 646 CG GLU A 42 9.854 5.713 13.233 1.00 0.00 C ATOM 647 CD GLU A 42 10.347 7.101 13.589 1.00 0.00 C ATOM 648 OE1 GLU A 42 9.978 8.062 12.883 1.00 0.00 O ATOM 649 OE2 GLU A 42 11.103 7.227 14.576 1.00 0.00 O ATOM 0 H GLU A 42 6.052 4.855 12.308 1.00 0.00 H new ATOM 0 HA GLU A 42 8.326 5.963 10.854 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.939 6.663 13.160 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.895 4.998 13.707 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.104 5.025 14.040 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.377 5.363 12.343 1.00 0.00 H new ATOM 656 N TYR A 43 8.106 2.804 11.776 1.00 0.00 N ATOM 657 CA TYR A 43 8.662 1.475 11.551 1.00 0.00 C ATOM 658 C TYR A 43 7.848 0.712 10.511 1.00 0.00 C ATOM 659 O TYR A 43 8.038 -0.489 10.316 1.00 0.00 O ATOM 660 CB TYR A 43 8.702 0.688 12.862 1.00 0.00 C ATOM 661 CG TYR A 43 9.397 1.420 13.988 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.755 1.708 13.922 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.695 1.826 15.116 1.00 0.00 C ATOM 664 CE1 TYR A 43 11.394 2.376 14.948 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.326 2.496 16.147 1.00 0.00 C ATOM 666 CZ TYR A 43 10.675 2.768 16.059 1.00 0.00 C ATOM 667 OH TYR A 43 11.307 3.435 17.082 1.00 0.00 O ATOM 0 H TYR A 43 7.268 2.818 12.358 1.00 0.00 H new ATOM 0 HA TYR A 43 9.678 1.593 11.174 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.682 0.455 13.167 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.209 -0.262 12.690 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.320 1.404 13.053 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.638 1.614 15.188 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.450 2.590 14.881 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.766 2.805 17.017 1.00 0.00 H new ATOM 0 HH TYR A 43 10.799 4.241 17.310 1.00 0.00 H new ATOM 677 N SER A 44 6.940 1.418 9.846 1.00 0.00 N ATOM 678 CA SER A 44 6.093 0.808 8.827 1.00 0.00 C ATOM 679 C SER A 44 5.414 -0.448 9.366 1.00 0.00 C ATOM 680 O SER A 44 5.450 -1.505 8.735 1.00 0.00 O ATOM 681 CB SER A 44 6.919 0.464 7.587 1.00 0.00 C ATOM 682 OG SER A 44 7.550 1.617 7.058 1.00 0.00 O ATOM 0 H SER A 44 6.771 2.413 9.994 1.00 0.00 H new ATOM 0 HA SER A 44 5.321 1.527 8.552 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.672 -0.281 7.843 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.275 0.018 6.829 1.00 0.00 H new ATOM 0 HG SER A 44 8.073 1.370 6.267 1.00 0.00 H new ATOM 688 N LEU A 45 4.797 -0.324 10.535 1.00 0.00 N ATOM 689 CA LEU A 45 4.109 -1.448 11.161 1.00 0.00 C ATOM 690 C LEU A 45 2.763 -1.704 10.491 1.00 0.00 C ATOM 691 O LEU A 45 2.015 -0.770 10.204 1.00 0.00 O ATOM 692 CB LEU A 45 3.907 -1.182 12.653 1.00 0.00 C ATOM 693 CG LEU A 45 5.161 -0.809 13.445 1.00 0.00 C ATOM 694 CD1 LEU A 45 4.804 -0.471 14.884 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.178 -1.941 13.397 1.00 0.00 C ATOM 0 H LEU A 45 4.759 0.544 11.069 1.00 0.00 H new ATOM 0 HA LEU A 45 4.730 -2.336 11.038 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.180 -0.378 12.763 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.468 -2.072 13.104 1.00 0.00 H new ATOM 0 HG LEU A 45 5.607 0.074 12.987 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.709 -0.208 15.431 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.113 0.372 14.899 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.333 -1.334 15.354 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.064 -1.659 13.966 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.741 -2.841 13.829 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.458 -2.135 12.362 1.00 0.00 H new ATOM 707 N MET A 46 2.461 -2.975 10.248 1.00 0.00 N ATOM 708 CA MET A 46 1.202 -3.353 9.615 1.00 0.00 C ATOM 709 C MET A 46 0.502 -4.450 10.410 1.00 0.00 C ATOM 710 O MET A 46 1.124 -5.128 11.228 1.00 0.00 O ATOM 711 CB MET A 46 1.449 -3.825 8.181 1.00 0.00 C ATOM 712 CG MET A 46 2.388 -2.922 7.397 1.00 0.00 C ATOM 713 SD MET A 46 2.383 -3.281 5.630 1.00 0.00 S ATOM 714 CE MET A 46 3.616 -2.120 5.046 1.00 0.00 C ATOM 0 H MET A 46 3.070 -3.760 10.479 1.00 0.00 H new ATOM 0 HA MET A 46 0.556 -2.475 9.595 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.863 -4.833 8.205 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.495 -3.885 7.658 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.101 -1.882 7.553 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.401 -3.034 7.784 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.728 -2.220 3.966 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.302 -1.104 5.285 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.570 -2.328 5.530 1.00 0.00 H new ATOM 724 N GLU A 47 -0.793 -4.618 10.165 1.00 0.00 N ATOM 725 CA GLU A 47 -1.576 -5.633 10.860 1.00 0.00 C ATOM 726 C GLU A 47 -1.633 -5.345 12.357 1.00 0.00 C ATOM 727 O GLU A 47 -1.599 -6.263 13.178 1.00 0.00 O ATOM 728 CB GLU A 47 -0.982 -7.022 10.619 1.00 0.00 C ATOM 729 CG GLU A 47 -0.614 -7.283 9.168 1.00 0.00 C ATOM 730 CD GLU A 47 -1.131 -8.617 8.665 1.00 0.00 C ATOM 731 OE1 GLU A 47 -0.583 -9.660 9.080 1.00 0.00 O ATOM 732 OE2 GLU A 47 -2.084 -8.619 7.858 1.00 0.00 O ATOM 0 H GLU A 47 -1.322 -4.065 9.491 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.591 -5.607 10.463 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.092 -7.140 11.238 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.699 -7.776 10.945 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.017 -6.484 8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.470 -7.254 9.061 1.00 0.00 H new ATOM 739 N ILE A 48 -1.719 -4.066 12.705 1.00 0.00 N ATOM 740 CA ILE A 48 -1.781 -3.657 14.103 1.00 0.00 C ATOM 741 C ILE A 48 -3.154 -3.090 14.449 1.00 0.00 C ATOM 742 O ILE A 48 -3.720 -2.301 13.692 1.00 0.00 O ATOM 743 CB ILE A 48 -0.706 -2.605 14.430 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.634 -2.368 15.940 1.00 0.00 C ATOM 745 CG2 ILE A 48 -0.998 -1.303 13.698 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.745 -1.982 16.426 1.00 0.00 C ATOM 0 H ILE A 48 -1.747 -3.295 12.038 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.598 -4.549 14.702 1.00 0.00 H new ATOM 0 HB ILE A 48 0.261 -2.980 14.094 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.339 -1.582 16.210 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.953 -3.273 16.457 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.229 -0.569 13.940 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.003 -1.483 12.623 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.972 -0.923 14.006 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.721 -1.830 17.505 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.451 -2.778 16.187 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.058 -1.060 15.936 1.00 0.00 H new ATOM 758 N ASP A 49 -3.682 -3.495 15.599 1.00 0.00 N ATOM 759 CA ASP A 49 -4.988 -3.025 16.048 1.00 0.00 C ATOM 760 C ASP A 49 -4.846 -1.788 16.930 1.00 0.00 C ATOM 761 O ASP A 49 -4.570 -1.893 18.126 1.00 0.00 O ATOM 762 CB ASP A 49 -5.716 -4.131 16.812 1.00 0.00 C ATOM 763 CG ASP A 49 -6.604 -4.968 15.913 1.00 0.00 C ATOM 764 OD1 ASP A 49 -6.066 -5.823 15.177 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.836 -4.770 15.945 1.00 0.00 O ATOM 0 H ASP A 49 -3.226 -4.147 16.237 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.573 -2.757 15.168 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.983 -4.776 17.297 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.321 -3.685 17.602 1.00 0.00 H new ATOM 770 N THR A 50 -5.034 -0.616 16.332 1.00 0.00 N ATOM 771 CA THR A 50 -4.925 0.641 17.062 1.00 0.00 C ATOM 772 C THR A 50 -6.088 0.816 18.032 1.00 0.00 C ATOM 773 O THR A 50 -5.975 1.527 19.030 1.00 0.00 O ATOM 774 CB THR A 50 -4.885 1.846 16.103 1.00 0.00 C ATOM 775 OG1 THR A 50 -6.079 1.883 15.314 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.670 1.771 15.191 1.00 0.00 C ATOM 0 H THR A 50 -5.263 -0.511 15.344 1.00 0.00 H new ATOM 0 HA THR A 50 -3.991 0.601 17.622 1.00 0.00 H new ATOM 0 HB THR A 50 -4.816 2.756 16.699 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.047 2.653 14.708 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.663 2.632 14.523 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.762 1.772 15.794 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.713 0.855 14.602 1.00 0.00 H new ATOM 784 N SER A 51 -7.206 0.162 17.732 1.00 0.00 N ATOM 785 CA SER A 51 -8.392 0.249 18.577 1.00 0.00 C ATOM 786 C SER A 51 -8.130 -0.371 19.946 1.00 0.00 C ATOM 787 O SER A 51 -8.767 -0.011 20.936 1.00 0.00 O ATOM 788 CB SER A 51 -9.575 -0.451 17.905 1.00 0.00 C ATOM 789 OG SER A 51 -10.658 0.443 17.717 1.00 0.00 O ATOM 0 H SER A 51 -7.315 -0.433 16.911 1.00 0.00 H new ATOM 0 HA SER A 51 -8.633 1.303 18.715 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.263 -0.856 16.942 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.897 -1.294 18.516 1.00 0.00 H new ATOM 0 HG SER A 51 -10.836 0.921 18.554 1.00 0.00 H new ATOM 795 N PHE A 52 -7.188 -1.308 19.994 1.00 0.00 N ATOM 796 CA PHE A 52 -6.841 -1.980 21.240 1.00 0.00 C ATOM 797 C PHE A 52 -6.224 -1.000 22.234 1.00 0.00 C ATOM 798 O PHE A 52 -6.278 -1.210 23.446 1.00 0.00 O ATOM 799 CB PHE A 52 -5.869 -3.130 20.971 1.00 0.00 C ATOM 800 CG PHE A 52 -6.034 -4.288 21.913 1.00 0.00 C ATOM 801 CD1 PHE A 52 -5.581 -4.205 23.220 1.00 0.00 C ATOM 802 CD2 PHE A 52 -6.642 -5.460 21.492 1.00 0.00 C ATOM 803 CE1 PHE A 52 -5.732 -5.268 24.090 1.00 0.00 C ATOM 804 CE2 PHE A 52 -6.796 -6.526 22.358 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.339 -6.431 23.658 1.00 0.00 C ATOM 0 H PHE A 52 -6.652 -1.619 19.184 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.757 -2.381 21.673 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.008 -3.481 19.949 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.848 -2.756 21.043 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.104 -3.299 23.563 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.999 -5.541 20.476 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.376 -5.189 25.107 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.274 -7.433 22.018 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.456 -7.264 24.335 1.00 0.00 H new ATOM 815 N PHE A 53 -5.637 0.072 21.711 1.00 0.00 N ATOM 816 CA PHE A 53 -5.007 1.084 22.550 1.00 0.00 C ATOM 817 C PHE A 53 -5.762 2.408 22.465 1.00 0.00 C ATOM 818 O PHE A 53 -5.199 3.472 22.720 1.00 0.00 O ATOM 819 CB PHE A 53 -3.549 1.288 22.134 1.00 0.00 C ATOM 820 CG PHE A 53 -2.794 0.003 21.945 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.815 -0.655 20.726 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.064 -0.546 22.986 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.122 -1.838 20.550 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.369 -1.729 22.816 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.397 -2.375 21.596 1.00 0.00 C ATOM 0 H PHE A 53 -5.585 0.262 20.710 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.037 0.734 23.582 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.521 1.857 21.205 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.044 1.889 22.891 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.379 -0.239 19.904 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.037 -0.044 23.942 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.147 -2.342 19.595 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.805 -2.147 23.636 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.853 -3.298 21.460 1.00 0.00 H new ATOM 835 N GLN A 54 -7.039 2.332 22.103 1.00 0.00 N ATOM 836 CA GLN A 54 -7.870 3.523 21.982 1.00 0.00 C ATOM 837 C GLN A 54 -8.150 4.133 23.352 1.00 0.00 C ATOM 838 O GLN A 54 -8.414 5.329 23.467 1.00 0.00 O ATOM 839 CB GLN A 54 -9.188 3.183 21.284 1.00 0.00 C ATOM 840 CG GLN A 54 -10.100 2.288 22.108 1.00 0.00 C ATOM 841 CD GLN A 54 -11.232 1.698 21.291 1.00 0.00 C ATOM 842 OE1 GLN A 54 -11.254 1.814 20.065 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.180 1.059 21.967 1.00 0.00 N ATOM 0 H GLN A 54 -7.520 1.458 21.889 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.327 4.254 21.382 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.715 4.108 21.051 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.971 2.692 20.336 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.512 1.480 22.544 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.516 2.863 22.936 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.122 0.987 22.983 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.966 0.640 21.470 1.00 0.00 H new ATOM 852 N ASN A 55 -8.090 3.302 24.387 1.00 0.00 N ATOM 853 CA ASN A 55 -8.338 3.760 25.750 1.00 0.00 C ATOM 854 C ASN A 55 -7.339 3.140 26.722 1.00 0.00 C ATOM 855 O ASN A 55 -7.667 2.872 27.878 1.00 0.00 O ATOM 856 CB ASN A 55 -9.765 3.410 26.176 1.00 0.00 C ATOM 857 CG ASN A 55 -10.283 4.326 27.268 1.00 0.00 C ATOM 858 OD1 ASN A 55 -9.847 4.249 28.417 1.00 0.00 O ATOM 859 ND2 ASN A 55 -11.220 5.198 26.914 1.00 0.00 N ATOM 0 H ASN A 55 -7.872 2.309 24.309 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.215 4.843 25.771 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.425 3.471 25.311 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.794 2.378 26.527 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.608 5.839 27.606 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.552 5.227 25.950 1.00 0.00 H new ATOM 866 N MET A 56 -6.119 2.915 26.245 1.00 0.00 N ATOM 867 CA MET A 56 -5.071 2.328 27.073 1.00 0.00 C ATOM 868 C MET A 56 -4.130 3.406 27.603 1.00 0.00 C ATOM 869 O MET A 56 -3.233 3.863 26.895 1.00 0.00 O ATOM 870 CB MET A 56 -4.280 1.292 26.273 1.00 0.00 C ATOM 871 CG MET A 56 -3.131 0.672 27.051 1.00 0.00 C ATOM 872 SD MET A 56 -3.358 -1.094 27.336 1.00 0.00 S ATOM 873 CE MET A 56 -3.395 -1.707 25.654 1.00 0.00 C ATOM 0 H MET A 56 -5.832 3.130 25.290 1.00 0.00 H new ATOM 0 HA MET A 56 -5.545 1.835 27.922 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.957 0.502 25.949 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.886 1.764 25.373 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.201 0.831 26.506 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.030 1.181 28.010 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.037 -2.586 25.601 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.785 -0.933 24.993 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.386 -1.976 25.342 1.00 0.00 H new ATOM 883 N ASP A 57 -4.341 3.807 28.852 1.00 0.00 N ATOM 884 CA ASP A 57 -3.511 4.830 29.477 1.00 0.00 C ATOM 885 C ASP A 57 -2.049 4.396 29.512 1.00 0.00 C ATOM 886 O ASP A 57 -1.745 3.206 29.577 1.00 0.00 O ATOM 887 CB ASP A 57 -4.004 5.121 30.895 1.00 0.00 C ATOM 888 CG ASP A 57 -4.342 3.857 31.661 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.408 3.203 32.168 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.542 3.521 31.753 1.00 0.00 O ATOM 0 H ASP A 57 -5.080 3.439 29.451 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.587 5.739 28.881 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.238 5.676 31.436 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.886 5.760 30.846 1.00 0.00 H new ATOM 895 N GLY A 58 -1.146 5.371 29.467 1.00 0.00 N ATOM 896 CA GLY A 58 0.273 5.070 29.494 1.00 0.00 C ATOM 897 C GLY A 58 0.624 4.020 30.529 1.00 0.00 C ATOM 898 O GLY A 58 1.497 3.181 30.303 1.00 0.00 O ATOM 0 H GLY A 58 -1.372 6.364 29.412 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.586 4.724 28.509 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.831 5.983 29.703 1.00 0.00 H new ATOM 902 N LYS A 59 -0.057 4.064 31.669 1.00 0.00 N ATOM 903 CA LYS A 59 0.187 3.110 32.744 1.00 0.00 C ATOM 904 C LYS A 59 -0.124 1.687 32.289 1.00 0.00 C ATOM 905 O LYS A 59 0.665 0.770 32.510 1.00 0.00 O ATOM 906 CB LYS A 59 -0.661 3.462 33.968 1.00 0.00 C ATOM 907 CG LYS A 59 -0.276 4.781 34.615 1.00 0.00 C ATOM 908 CD LYS A 59 1.112 4.718 35.229 1.00 0.00 C ATOM 909 CE LYS A 59 1.053 4.756 36.748 1.00 0.00 C ATOM 910 NZ LYS A 59 2.409 4.685 37.358 1.00 0.00 N ATOM 0 H LYS A 59 -0.783 4.751 31.872 1.00 0.00 H new ATOM 0 HA LYS A 59 1.242 3.165 33.013 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.710 3.504 33.673 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.569 2.665 34.705 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.309 5.576 33.870 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.004 5.035 35.385 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.612 3.805 34.906 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.710 5.554 34.866 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.558 5.672 37.069 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.449 3.924 37.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.325 4.714 38.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.872 3.799 37.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.978 5.493 37.034 1.00 0.00 H new ATOM 924 N GLU A 60 -1.278 1.513 31.652 1.00 0.00 N ATOM 925 CA GLU A 60 -1.692 0.202 31.166 1.00 0.00 C ATOM 926 C GLU A 60 -0.897 -0.193 29.925 1.00 0.00 C ATOM 927 O GLU A 60 -0.946 -1.342 29.483 1.00 0.00 O ATOM 928 CB GLU A 60 -3.189 0.200 30.849 1.00 0.00 C ATOM 929 CG GLU A 60 -4.073 0.242 32.084 1.00 0.00 C ATOM 930 CD GLU A 60 -5.520 0.556 31.755 1.00 0.00 C ATOM 931 OE1 GLU A 60 -5.774 1.098 30.659 1.00 0.00 O ATOM 932 OE2 GLU A 60 -6.397 0.260 32.593 1.00 0.00 O ATOM 0 H GLU A 60 -1.942 2.263 31.461 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.494 -0.528 31.951 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.419 1.059 30.218 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.428 -0.693 30.272 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.021 -0.719 32.596 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.690 0.993 32.775 1.00 0.00 H new ATOM 939 N LEU A 61 -0.166 0.765 29.368 1.00 0.00 N ATOM 940 CA LEU A 61 0.640 0.519 28.177 1.00 0.00 C ATOM 941 C LEU A 61 2.030 0.016 28.555 1.00 0.00 C ATOM 942 O LEU A 61 2.661 -0.722 27.797 1.00 0.00 O ATOM 943 CB LEU A 61 0.756 1.795 27.342 1.00 0.00 C ATOM 944 CG LEU A 61 1.597 1.691 26.069 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.974 0.700 25.098 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.749 3.057 25.417 1.00 0.00 C ATOM 0 H LEU A 61 -0.114 1.720 29.722 1.00 0.00 H new ATOM 0 HA LEU A 61 0.144 -0.250 27.585 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.248 2.116 27.065 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.179 2.579 27.970 1.00 0.00 H new ATOM 0 HG LEU A 61 2.589 1.328 26.340 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.586 0.639 24.198 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.919 -0.283 25.567 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.030 1.033 24.833 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.350 2.964 24.513 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.765 3.449 25.160 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.241 3.739 26.111 1.00 0.00 H new ATOM 958 N CYS A 62 2.499 0.418 29.730 1.00 0.00 N ATOM 959 CA CYS A 62 3.814 0.007 30.210 1.00 0.00 C ATOM 960 C CYS A 62 3.729 -1.317 30.962 1.00 0.00 C ATOM 961 O CYS A 62 4.744 -1.967 31.215 1.00 0.00 O ATOM 962 CB CYS A 62 4.409 1.085 31.116 1.00 0.00 C ATOM 963 SG CYS A 62 4.559 2.708 30.333 1.00 0.00 S ATOM 0 H CYS A 62 1.989 1.028 30.369 1.00 0.00 H new ATOM 0 HA CYS A 62 4.463 -0.129 29.345 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.788 1.179 32.007 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.395 0.761 31.448 1.00 0.00 H new ATOM 0 HG CYS A 62 3.376 3.219 30.163 1.00 0.00 H new ATOM 969 N LYS A 63 2.512 -1.711 31.320 1.00 0.00 N ATOM 970 CA LYS A 63 2.293 -2.958 32.044 1.00 0.00 C ATOM 971 C LYS A 63 2.071 -4.117 31.077 1.00 0.00 C ATOM 972 O LYS A 63 2.388 -5.265 31.387 1.00 0.00 O ATOM 973 CB LYS A 63 1.089 -2.823 32.980 1.00 0.00 C ATOM 974 CG LYS A 63 -0.248 -2.883 32.263 1.00 0.00 C ATOM 975 CD LYS A 63 -1.409 -2.771 33.237 1.00 0.00 C ATOM 976 CE LYS A 63 -1.801 -4.131 33.795 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.077 -4.070 34.561 1.00 0.00 N ATOM 0 H LYS A 63 1.661 -1.185 31.121 1.00 0.00 H new ATOM 0 HA LYS A 63 3.184 -3.167 32.636 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.128 -3.617 33.725 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.161 -1.878 33.518 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.306 -2.077 31.532 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.324 -3.820 31.711 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.136 -2.106 34.056 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.266 -2.322 32.734 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.903 -4.844 32.977 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.006 -4.501 34.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.309 -5.016 34.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.973 -3.409 35.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.841 -3.742 33.937 1.00 0.00 H new ATOM 991 N MET A 64 1.526 -3.808 29.905 1.00 0.00 N ATOM 992 CA MET A 64 1.265 -4.825 28.893 1.00 0.00 C ATOM 993 C MET A 64 2.518 -5.650 28.615 1.00 0.00 C ATOM 994 O MET A 64 3.635 -5.206 28.878 1.00 0.00 O ATOM 995 CB MET A 64 0.772 -4.173 27.600 1.00 0.00 C ATOM 996 CG MET A 64 -0.636 -3.610 27.701 1.00 0.00 C ATOM 997 SD MET A 64 -1.825 -4.533 26.707 1.00 0.00 S ATOM 998 CE MET A 64 -1.095 -4.382 25.079 1.00 0.00 C ATOM 0 H MET A 64 1.257 -2.863 29.633 1.00 0.00 H new ATOM 0 HA MET A 64 0.491 -5.491 29.274 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.456 -3.371 27.324 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.803 -4.909 26.797 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.954 -3.621 28.744 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.631 -2.568 27.380 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.884 -4.273 24.335 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.447 -3.506 25.051 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.509 -5.274 24.859 1.00 0.00 H new ATOM 1008 N ASN A 65 2.324 -6.851 28.082 1.00 0.00 N ATOM 1009 CA ASN A 65 3.438 -7.738 27.769 1.00 0.00 C ATOM 1010 C ASN A 65 3.354 -8.230 26.327 1.00 0.00 C ATOM 1011 O ASN A 65 2.417 -7.900 25.600 1.00 0.00 O ATOM 1012 CB ASN A 65 3.453 -8.931 28.727 1.00 0.00 C ATOM 1013 CG ASN A 65 2.060 -9.322 29.183 1.00 0.00 C ATOM 1014 OD1 ASN A 65 1.330 -10.007 28.467 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.687 -8.888 30.381 1.00 0.00 N ATOM 0 H ASN A 65 1.405 -7.233 27.858 1.00 0.00 H new ATOM 0 HA ASN A 65 4.363 -7.174 27.888 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.924 -9.782 28.236 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.063 -8.687 29.597 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.762 -9.120 30.742 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.326 -8.322 30.940 1.00 0.00 H new ATOM 1022 N LYS A 66 4.340 -9.023 25.920 1.00 0.00 N ATOM 1023 CA LYS A 66 4.378 -9.563 24.567 1.00 0.00 C ATOM 1024 C LYS A 66 3.060 -10.245 24.216 1.00 0.00 C ATOM 1025 O LYS A 66 2.580 -10.144 23.087 1.00 0.00 O ATOM 1026 CB LYS A 66 5.533 -10.558 24.425 1.00 0.00 C ATOM 1027 CG LYS A 66 5.825 -10.950 22.987 1.00 0.00 C ATOM 1028 CD LYS A 66 7.251 -10.603 22.593 1.00 0.00 C ATOM 1029 CE LYS A 66 7.606 -11.172 21.228 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.296 -12.487 21.338 1.00 0.00 N ATOM 0 H LYS A 66 5.123 -9.306 26.509 1.00 0.00 H new ATOM 0 HA LYS A 66 4.533 -8.734 23.876 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.431 -10.124 24.864 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.300 -11.456 24.997 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.662 -12.020 22.860 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.128 -10.440 22.321 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.373 -9.520 22.580 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.941 -10.992 23.341 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.699 -11.286 20.635 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.247 -10.469 20.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.052 -13.077 20.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.325 -12.338 21.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.993 -12.966 22.210 1.00 0.00 H new ATOM 1044 N GLU A 67 2.479 -10.938 25.191 1.00 0.00 N ATOM 1045 CA GLU A 67 1.215 -11.636 24.983 1.00 0.00 C ATOM 1046 C GLU A 67 0.078 -10.644 24.754 1.00 0.00 C ATOM 1047 O GLU A 67 -0.569 -10.656 23.707 1.00 0.00 O ATOM 1048 CB GLU A 67 0.896 -12.527 26.185 1.00 0.00 C ATOM 1049 CG GLU A 67 1.348 -13.967 26.011 1.00 0.00 C ATOM 1050 CD GLU A 67 0.185 -14.939 25.943 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -0.339 -15.161 24.832 1.00 0.00 O ATOM 1052 OE2 GLU A 67 -0.199 -15.478 27.003 1.00 0.00 O ATOM 0 H GLU A 67 2.863 -11.031 26.131 1.00 0.00 H new ATOM 0 HA GLU A 67 1.314 -12.259 24.094 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.372 -12.110 27.072 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.179 -12.511 26.363 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.940 -14.050 25.100 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.999 -14.242 26.841 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.160 -9.788 25.742 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.219 -8.790 25.650 1.00 0.00 C ATOM 1061 C ASP A 68 -1.058 -7.942 24.391 1.00 0.00 C ATOM 1062 O ASP A 68 -2.041 -7.477 23.814 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.212 -7.892 26.888 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.121 -8.685 28.177 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.486 -9.880 28.166 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.685 -8.111 29.197 1.00 0.00 O ATOM 0 H ASP A 68 0.366 -9.765 26.616 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.174 -9.313 25.595 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.370 -7.203 26.829 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.119 -7.287 26.900 1.00 0.00 H new ATOM 1071 N PHE A 69 0.188 -7.745 23.972 1.00 0.00 N ATOM 1072 CA PHE A 69 0.477 -6.951 22.783 1.00 0.00 C ATOM 1073 C PHE A 69 0.251 -7.769 21.515 1.00 0.00 C ATOM 1074 O PHE A 69 -0.176 -7.239 20.488 1.00 0.00 O ATOM 1075 CB PHE A 69 1.919 -6.441 22.824 1.00 0.00 C ATOM 1076 CG PHE A 69 2.047 -5.047 23.368 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.577 -3.962 22.646 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.636 -4.822 24.602 1.00 0.00 C ATOM 1079 CE1 PHE A 69 1.693 -2.677 23.143 1.00 0.00 C ATOM 1080 CE2 PHE A 69 2.754 -3.540 25.105 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.283 -2.466 24.374 1.00 0.00 C ATOM 0 H PHE A 69 1.013 -8.124 24.438 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.203 -6.099 22.771 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.518 -7.117 23.435 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.334 -6.469 21.817 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.114 -4.122 21.683 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.007 -5.658 25.177 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.323 -1.840 22.570 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.214 -3.378 26.069 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.376 -1.463 24.765 1.00 0.00 H new ATOM 1091 N LEU A 70 0.540 -9.064 21.594 1.00 0.00 N ATOM 1092 CA LEU A 70 0.369 -9.956 20.453 1.00 0.00 C ATOM 1093 C LEU A 70 -1.109 -10.150 20.130 1.00 0.00 C ATOM 1094 O LEU A 70 -1.464 -10.592 19.037 1.00 0.00 O ATOM 1095 CB LEU A 70 1.022 -11.310 20.737 1.00 0.00 C ATOM 1096 CG LEU A 70 2.425 -11.511 20.163 1.00 0.00 C ATOM 1097 CD1 LEU A 70 2.990 -12.856 20.595 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.401 -11.403 18.645 1.00 0.00 C ATOM 0 H LEU A 70 0.893 -9.519 22.436 1.00 0.00 H new ATOM 0 HA LEU A 70 0.854 -9.499 19.590 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.070 -11.449 21.817 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.374 -12.093 20.343 1.00 0.00 H new ATOM 0 HG LEU A 70 3.073 -10.726 20.553 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.989 -12.982 20.177 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.044 -12.896 21.683 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.343 -13.655 20.235 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.408 -11.549 18.254 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.739 -12.166 18.236 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.039 -10.416 18.356 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.968 -9.815 21.088 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.408 -9.952 20.905 1.00 0.00 C ATOM 1112 C ARG A 71 -3.978 -8.746 20.163 1.00 0.00 C ATOM 1113 O ARG A 71 -5.186 -8.654 19.944 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.103 -10.107 22.259 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.726 -11.383 22.994 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.796 -11.784 23.997 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.749 -13.210 24.306 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.122 -14.160 23.455 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -5.566 -13.835 22.249 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.050 -15.436 23.810 1.00 0.00 N ATOM 0 H ARG A 71 -1.692 -9.447 21.998 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.590 -10.845 20.307 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.855 -9.250 22.885 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.182 -10.090 22.108 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.579 -12.189 22.275 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.777 -11.240 23.510 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.666 -11.210 24.914 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.779 -11.531 23.599 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.411 -13.493 25.226 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.622 -12.855 21.973 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.852 -14.565 21.597 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.708 -15.689 24.737 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.337 -16.164 23.156 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.101 -7.824 19.781 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.517 -6.625 19.063 1.00 0.00 C ATOM 1136 C ALA A 72 -2.603 -6.353 17.873 1.00 0.00 C ATOM 1137 O ALA A 72 -3.061 -5.945 16.805 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.535 -5.428 20.001 1.00 0.00 C ATOM 0 H ALA A 72 -2.098 -7.884 19.957 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.525 -6.790 18.683 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.847 -4.540 19.452 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.234 -5.615 20.816 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.536 -5.270 20.408 1.00 0.00 H new ATOM 1144 N THR A 73 -1.307 -6.581 18.063 1.00 0.00 N ATOM 1145 CA THR A 73 -0.328 -6.359 17.006 1.00 0.00 C ATOM 1146 C THR A 73 0.449 -7.634 16.700 1.00 0.00 C ATOM 1147 O THR A 73 0.562 -8.524 17.544 1.00 0.00 O ATOM 1148 CB THR A 73 0.664 -5.244 17.386 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.378 -4.807 16.223 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.649 -5.731 18.438 1.00 0.00 C ATOM 0 H THR A 73 -0.911 -6.920 18.940 1.00 0.00 H new ATOM 0 HA THR A 73 -0.883 -6.054 16.119 1.00 0.00 H new ATOM 0 HB THR A 73 0.098 -4.410 17.800 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.744 -4.629 15.497 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.339 -4.926 18.690 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.105 -6.036 19.332 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.209 -6.580 18.047 1.00 0.00 H new ATOM 1158 N THR A 74 0.986 -7.717 15.487 1.00 0.00 N ATOM 1159 CA THR A 74 1.754 -8.883 15.069 1.00 0.00 C ATOM 1160 C THR A 74 3.008 -9.050 15.920 1.00 0.00 C ATOM 1161 O THR A 74 3.409 -8.135 16.639 1.00 0.00 O ATOM 1162 CB THR A 74 2.162 -8.786 13.587 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.893 -9.955 13.202 1.00 0.00 O ATOM 1164 CG2 THR A 74 3.010 -7.547 13.340 1.00 0.00 C ATOM 0 H THR A 74 0.903 -6.990 14.776 1.00 0.00 H new ATOM 0 HA THR A 74 1.109 -9.751 15.204 1.00 0.00 H new ATOM 0 HB THR A 74 1.255 -8.712 12.987 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.147 -9.886 12.258 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.286 -7.499 12.287 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.440 -6.657 13.606 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.912 -7.596 13.950 1.00 0.00 H new ATOM 1172 N LEU A 75 3.623 -10.224 15.833 1.00 0.00 N ATOM 1173 CA LEU A 75 4.834 -10.511 16.595 1.00 0.00 C ATOM 1174 C LEU A 75 5.933 -9.505 16.271 1.00 0.00 C ATOM 1175 O LEU A 75 6.505 -8.884 17.167 1.00 0.00 O ATOM 1176 CB LEU A 75 5.322 -11.930 16.299 1.00 0.00 C ATOM 1177 CG LEU A 75 6.764 -12.241 16.701 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.931 -12.143 18.210 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.169 -13.623 16.208 1.00 0.00 C ATOM 0 H LEU A 75 3.304 -10.992 15.243 1.00 0.00 H new ATOM 0 HA LEU A 75 4.594 -10.430 17.655 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.664 -12.633 16.810 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.216 -12.113 15.230 1.00 0.00 H new ATOM 0 HG LEU A 75 7.417 -11.504 16.234 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.964 -12.368 18.477 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.682 -11.134 18.539 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.267 -12.857 18.697 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.198 -13.827 16.503 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.510 -14.373 16.646 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.089 -13.660 15.122 1.00 0.00 H new ATOM 1191 N TYR A 76 6.222 -9.346 14.984 1.00 0.00 N ATOM 1192 CA TYR A 76 7.252 -8.415 14.541 1.00 0.00 C ATOM 1193 C TYR A 76 7.064 -7.046 15.186 1.00 0.00 C ATOM 1194 O TYR A 76 7.996 -6.484 15.759 1.00 0.00 O ATOM 1195 CB TYR A 76 7.227 -8.281 13.017 1.00 0.00 C ATOM 1196 CG TYR A 76 8.321 -7.392 12.469 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.223 -6.009 12.545 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.454 -7.937 11.877 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.220 -5.194 12.045 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.456 -7.130 11.375 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.334 -5.759 11.461 1.00 0.00 C ATOM 1202 OH TYR A 76 11.330 -4.950 10.963 1.00 0.00 O ATOM 0 H TYR A 76 5.757 -9.850 14.229 1.00 0.00 H new ATOM 0 HA TYR A 76 8.220 -8.811 14.849 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.319 -9.272 12.572 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.260 -7.883 12.712 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.352 -5.563 13.003 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.553 -9.010 11.808 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.127 -4.120 12.111 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.330 -7.570 10.918 1.00 0.00 H new ATOM 0 HH TYR A 76 12.044 -5.505 10.586 1.00 0.00 H new ATOM 1212 N ASN A 77 5.849 -6.515 15.089 1.00 0.00 N ATOM 1213 CA ASN A 77 5.535 -5.212 15.663 1.00 0.00 C ATOM 1214 C ASN A 77 5.671 -5.240 17.182 1.00 0.00 C ATOM 1215 O ASN A 77 6.109 -4.266 17.796 1.00 0.00 O ATOM 1216 CB ASN A 77 4.118 -4.787 15.274 1.00 0.00 C ATOM 1217 CG ASN A 77 3.970 -4.563 13.782 1.00 0.00 C ATOM 1218 OD1 ASN A 77 4.957 -4.545 13.045 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.734 -4.391 13.329 1.00 0.00 N ATOM 0 H ASN A 77 5.066 -6.968 14.618 1.00 0.00 H new ATOM 0 HA ASN A 77 6.246 -4.487 15.265 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.411 -5.552 15.595 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.858 -3.870 15.804 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.572 -4.236 12.334 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.946 -4.414 13.976 1.00 0.00 H new ATOM 1226 N THR A 78 5.293 -6.363 17.784 1.00 0.00 N ATOM 1227 CA THR A 78 5.372 -6.519 19.231 1.00 0.00 C ATOM 1228 C THR A 78 6.797 -6.310 19.730 1.00 0.00 C ATOM 1229 O THR A 78 7.016 -5.668 20.757 1.00 0.00 O ATOM 1230 CB THR A 78 4.884 -7.912 19.674 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.538 -8.123 19.233 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.957 -8.055 21.187 1.00 0.00 C ATOM 0 H THR A 78 4.929 -7.179 17.291 1.00 0.00 H new ATOM 0 HA THR A 78 4.723 -5.759 19.666 1.00 0.00 H new ATOM 0 HB THR A 78 5.535 -8.661 19.223 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.541 -8.391 18.290 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.608 -9.046 21.476 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.988 -7.924 21.516 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.328 -7.298 21.655 1.00 0.00 H new ATOM 1240 N GLU A 79 7.762 -6.854 18.996 1.00 0.00 N ATOM 1241 CA GLU A 79 9.167 -6.726 19.366 1.00 0.00 C ATOM 1242 C GLU A 79 9.616 -5.269 19.298 1.00 0.00 C ATOM 1243 O GLU A 79 10.406 -4.812 20.125 1.00 0.00 O ATOM 1244 CB GLU A 79 10.039 -7.584 18.448 1.00 0.00 C ATOM 1245 CG GLU A 79 10.082 -9.050 18.844 1.00 0.00 C ATOM 1246 CD GLU A 79 11.497 -9.564 19.027 1.00 0.00 C ATOM 1247 OE1 GLU A 79 12.309 -9.413 18.091 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.792 -10.117 20.108 1.00 0.00 O ATOM 0 H GLU A 79 7.597 -7.387 18.142 1.00 0.00 H new ATOM 0 HA GLU A 79 9.280 -7.075 20.392 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.666 -7.503 17.427 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.054 -7.186 18.449 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.526 -9.188 19.772 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.580 -9.644 18.080 1.00 0.00 H new ATOM 1255 N VAL A 80 9.108 -4.545 18.306 1.00 0.00 N ATOM 1256 CA VAL A 80 9.456 -3.140 18.129 1.00 0.00 C ATOM 1257 C VAL A 80 8.892 -2.288 19.259 1.00 0.00 C ATOM 1258 O VAL A 80 9.624 -1.549 19.920 1.00 0.00 O ATOM 1259 CB VAL A 80 8.937 -2.599 16.783 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.247 -1.116 16.649 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.536 -3.384 15.626 1.00 0.00 C ATOM 0 H VAL A 80 8.454 -4.908 17.613 1.00 0.00 H new ATOM 0 HA VAL A 80 10.544 -3.079 18.141 1.00 0.00 H new ATOM 0 HB VAL A 80 7.855 -2.724 16.754 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.873 -0.751 15.692 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.765 -0.569 17.459 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.325 -0.964 16.699 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.158 -2.988 14.683 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.622 -3.293 15.648 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.258 -4.434 15.716 1.00 0.00 H new ATOM 1271 N LEU A 81 7.586 -2.394 19.478 1.00 0.00 N ATOM 1272 CA LEU A 81 6.922 -1.633 20.530 1.00 0.00 C ATOM 1273 C LEU A 81 7.553 -1.917 21.890 1.00 0.00 C ATOM 1274 O LEU A 81 7.981 -1.000 22.592 1.00 0.00 O ATOM 1275 CB LEU A 81 5.431 -1.971 20.568 1.00 0.00 C ATOM 1276 CG LEU A 81 4.667 -1.782 19.257 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.357 -2.554 19.286 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.411 -0.304 18.997 1.00 0.00 C ATOM 0 H LEU A 81 6.966 -3.000 18.941 1.00 0.00 H new ATOM 0 HA LEU A 81 7.043 -0.573 20.308 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.322 -3.009 20.883 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.958 -1.355 21.333 1.00 0.00 H new ATOM 0 HG LEU A 81 5.278 -2.174 18.444 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.827 -2.407 18.345 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.563 -3.615 19.425 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.740 -2.193 20.109 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.866 -0.188 18.060 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.821 0.112 19.813 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.362 0.224 18.931 1.00 0.00 H new ATOM 1290 N LEU A 82 7.611 -3.194 22.254 1.00 0.00 N ATOM 1291 CA LEU A 82 8.193 -3.600 23.528 1.00 0.00 C ATOM 1292 C LEU A 82 9.614 -3.066 23.673 1.00 0.00 C ATOM 1293 O LEU A 82 9.986 -2.538 24.721 1.00 0.00 O ATOM 1294 CB LEU A 82 8.194 -5.125 23.648 1.00 0.00 C ATOM 1295 CG LEU A 82 6.957 -5.748 24.296 1.00 0.00 C ATOM 1296 CD1 LEU A 82 6.936 -5.462 25.790 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.689 -5.229 23.633 1.00 0.00 C ATOM 0 H LEU A 82 7.262 -3.965 21.685 1.00 0.00 H new ATOM 0 HA LEU A 82 7.584 -3.179 24.328 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.309 -5.548 22.650 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.070 -5.424 24.223 1.00 0.00 H new ATOM 0 HG LEU A 82 7.001 -6.828 24.154 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.049 -5.913 26.234 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.828 -5.883 26.254 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.916 -4.385 25.954 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.819 -5.683 24.107 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.638 -4.146 23.743 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.701 -5.486 22.574 1.00 0.00 H new ATOM 1309 N SER A 83 10.404 -3.206 22.613 1.00 0.00 N ATOM 1310 CA SER A 83 11.786 -2.739 22.622 1.00 0.00 C ATOM 1311 C SER A 83 11.846 -1.226 22.804 1.00 0.00 C ATOM 1312 O SER A 83 12.628 -0.716 23.608 1.00 0.00 O ATOM 1313 CB SER A 83 12.489 -3.137 21.323 1.00 0.00 C ATOM 1314 OG SER A 83 13.805 -2.613 21.274 1.00 0.00 O ATOM 0 H SER A 83 10.111 -3.639 21.737 1.00 0.00 H new ATOM 0 HA SER A 83 12.298 -3.209 23.462 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.524 -4.223 21.243 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.917 -2.772 20.470 1.00 0.00 H new ATOM 0 HG SER A 83 14.233 -2.883 20.435 1.00 0.00 H new ATOM 1320 N HIS A 84 11.015 -0.511 22.051 1.00 0.00 N ATOM 1321 CA HIS A 84 10.973 0.944 22.129 1.00 0.00 C ATOM 1322 C HIS A 84 10.607 1.403 23.537 1.00 0.00 C ATOM 1323 O HIS A 84 11.349 2.157 24.169 1.00 0.00 O ATOM 1324 CB HIS A 84 9.967 1.501 21.121 1.00 0.00 C ATOM 1325 CG HIS A 84 10.139 2.964 20.849 1.00 0.00 C ATOM 1326 ND1 HIS A 84 9.402 3.940 21.486 1.00 0.00 N ATOM 1327 CD2 HIS A 84 10.971 3.615 20.004 1.00 0.00 C ATOM 1328 CE1 HIS A 84 9.772 5.128 21.043 1.00 0.00 C ATOM 1329 NE2 HIS A 84 10.724 4.959 20.143 1.00 0.00 N ATOM 0 H HIS A 84 10.362 -0.916 21.380 1.00 0.00 H new ATOM 0 HA HIS A 84 11.966 1.324 21.889 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.062 0.952 20.184 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.957 1.325 21.493 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.695 3.162 19.343 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.365 6.076 21.362 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.198 5.705 19.634 1.00 0.00 H new ATOM 1337 N LEU A 85 9.460 0.944 24.024 1.00 0.00 N ATOM 1338 CA LEU A 85 8.995 1.308 25.358 1.00 0.00 C ATOM 1339 C LEU A 85 10.016 0.908 26.418 1.00 0.00 C ATOM 1340 O LEU A 85 10.073 1.504 27.494 1.00 0.00 O ATOM 1341 CB LEU A 85 7.650 0.639 25.651 1.00 0.00 C ATOM 1342 CG LEU A 85 6.555 1.549 26.207 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.510 1.839 25.142 1.00 0.00 C ATOM 1344 CD2 LEU A 85 5.909 0.919 27.433 1.00 0.00 C ATOM 0 H LEU A 85 8.835 0.319 23.515 1.00 0.00 H new ATOM 0 HA LEU A 85 8.870 2.390 25.390 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.284 0.185 24.730 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.817 -0.171 26.361 1.00 0.00 H new ATOM 0 HG LEU A 85 7.011 2.493 26.506 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.739 2.488 25.556 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.983 2.333 24.293 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.058 0.904 24.812 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.132 1.581 27.815 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.467 -0.039 27.160 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.665 0.764 28.203 1.00 0.00 H new ATOM 1356 N SER A 86 10.822 -0.101 26.106 1.00 0.00 N ATOM 1357 CA SER A 86 11.840 -0.581 27.033 1.00 0.00 C ATOM 1358 C SER A 86 12.775 0.551 27.447 1.00 0.00 C ATOM 1359 O SER A 86 13.108 0.698 28.623 1.00 0.00 O ATOM 1360 CB SER A 86 12.646 -1.715 26.395 1.00 0.00 C ATOM 1361 OG SER A 86 12.707 -2.842 27.253 1.00 0.00 O ATOM 0 H SER A 86 10.790 -0.602 25.218 1.00 0.00 H new ATOM 0 HA SER A 86 11.337 -0.958 27.924 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.191 -2.000 25.447 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.655 -1.368 26.173 1.00 0.00 H new ATOM 0 HG SER A 86 13.226 -3.553 26.822 1.00 0.00 H new ATOM 1367 N TYR A 87 13.194 1.350 26.472 1.00 0.00 N ATOM 1368 CA TYR A 87 14.092 2.469 26.734 1.00 0.00 C ATOM 1369 C TYR A 87 13.346 3.623 27.396 1.00 0.00 C ATOM 1370 O TYR A 87 13.741 4.104 28.459 1.00 0.00 O ATOM 1371 CB TYR A 87 14.740 2.945 25.432 1.00 0.00 C ATOM 1372 CG TYR A 87 15.523 4.230 25.580 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.671 4.281 26.361 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.114 5.393 24.939 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.389 5.453 26.499 1.00 0.00 C ATOM 1376 CE2 TYR A 87 15.827 6.569 25.071 1.00 0.00 C ATOM 1377 CZ TYR A 87 16.963 6.594 25.852 1.00 0.00 C ATOM 1378 OH TYR A 87 17.676 7.763 25.987 1.00 0.00 O ATOM 0 H TYR A 87 12.926 1.244 25.493 1.00 0.00 H new ATOM 0 HA TYR A 87 14.870 2.126 27.415 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.405 2.165 25.060 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.964 3.087 24.680 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.008 3.389 26.869 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.224 5.377 24.327 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.279 5.476 27.110 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.496 7.464 24.565 1.00 0.00 H new ATOM 0 HH TYR A 87 17.243 8.472 25.467 1.00 0.00 H new ATOM 1388 N LEU A 88 12.265 4.062 26.761 1.00 0.00 N ATOM 1389 CA LEU A 88 11.462 5.160 27.287 1.00 0.00 C ATOM 1390 C LEU A 88 11.074 4.902 28.740 1.00 0.00 C ATOM 1391 O LEU A 88 11.020 5.827 29.551 1.00 0.00 O ATOM 1392 CB LEU A 88 10.204 5.350 26.437 1.00 0.00 C ATOM 1393 CG LEU A 88 10.396 6.084 25.110 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.087 5.184 24.097 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.058 6.568 24.570 1.00 0.00 C ATOM 0 H LEU A 88 11.924 3.674 25.881 1.00 0.00 H new ATOM 0 HA LEU A 88 12.061 6.069 27.246 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.779 4.368 26.228 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.469 5.896 27.028 1.00 0.00 H new ATOM 0 HG LEU A 88 11.030 6.953 25.286 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.215 5.724 23.159 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.063 4.887 24.481 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.479 4.296 23.925 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.214 7.088 23.625 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.400 5.714 24.410 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.601 7.249 25.288 1.00 0.00 H new