USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=18 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 44:sc= -3.1! USER MOD Set 1.2: A 77 ASN : amide:sc= -5.94! C(o=-9!,f=-11!) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -109:sc= 0.434 (180deg=-0.541) USER MOD Set 2.2: A 62 CYS SG : rot -35:sc= -1.08! USER MOD Set 3.1: A 56 MET CE :methyl -153:sc= -2.96 (180deg=-5.18!) USER MOD Set 3.2: A 64 MET CE :methyl -141:sc= -1.7 (180deg=-5.49!) USER MOD Set 4.1: A 29 GLN : amide:sc= -2.01 K(o=-4.5,f=-5.1!) USER MOD Set 4.2: A 55 ASN : amide:sc= -2.45 K(o=-4.5,f=-5.1!) USER MOD Set 5.1: A 43 TYR OH : rot 150:sc=-0.00469 USER MOD Set 5.2: A 84 HIS : no HD1:sc= -0.272 X(o=-0.28,f=-0.41) USER MOD Single : A 25 THR OG1 : rot -97:sc= 0.518 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.227 USER MOD Single : A 31 HIS : no HD1:sc= -4.09! C(o=-4.1!,f=-3.9!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.45) 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 51 SER OG : rot -80:sc= 0.838 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 66 LYS NZ :NH3+ 149:sc=0.000418 (180deg=-0.0017) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 87:sc= 0.595 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 5.362 13.877 23.126 1.00 0.00 N ATOM 266 CA VAL A 20 5.111 13.065 24.311 1.00 0.00 C ATOM 267 C VAL A 20 6.292 13.119 25.274 1.00 0.00 C ATOM 268 O VAL A 20 7.433 13.369 24.883 1.00 0.00 O ATOM 269 CB VAL A 20 4.835 11.596 23.936 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.450 11.453 23.325 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.903 11.080 22.984 1.00 0.00 C ATOM 0 HA VAL A 20 4.229 13.480 24.799 1.00 0.00 H new ATOM 0 HB VAL A 20 4.869 10.994 24.844 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.272 10.409 23.066 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.699 11.781 24.044 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.384 12.066 22.426 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.693 10.041 22.730 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.903 11.683 22.076 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.880 11.145 23.463 1.00 0.00 H new ATOM 281 N PRO A 21 6.015 12.878 26.564 1.00 0.00 N ATOM 282 CA PRO A 21 7.042 12.892 27.610 1.00 0.00 C ATOM 283 C PRO A 21 8.003 11.714 27.495 1.00 0.00 C ATOM 284 O PRO A 21 7.790 10.803 26.696 1.00 0.00 O ATOM 285 CB PRO A 21 6.230 12.797 28.905 1.00 0.00 C ATOM 286 CG PRO A 21 4.962 12.124 28.508 1.00 0.00 C ATOM 287 CD PRO A 21 4.678 12.573 27.101 1.00 0.00 C ATOM 0 HA PRO A 21 7.673 13.779 27.550 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.762 12.224 29.664 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.039 13.784 29.326 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.063 11.040 28.559 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.147 12.400 29.178 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.181 11.794 26.523 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.028 13.448 27.082 1.00 0.00 H new ATOM 295 N ALA A 22 9.060 11.739 28.300 1.00 0.00 N ATOM 296 CA ALA A 22 10.053 10.671 28.290 1.00 0.00 C ATOM 297 C ALA A 22 9.420 9.330 28.644 1.00 0.00 C ATOM 298 O ALA A 22 9.182 8.495 27.770 1.00 0.00 O ATOM 299 CB ALA A 22 11.184 10.993 29.254 1.00 0.00 C ATOM 0 H ALA A 22 9.251 12.487 28.967 1.00 0.00 H new ATOM 0 HA ALA A 22 10.460 10.596 27.282 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.918 10.187 29.236 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.662 11.926 28.955 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.784 11.097 30.263 1.00 0.00 H new ATOM 305 N ASP A 23 9.150 9.129 29.929 1.00 0.00 N ATOM 306 CA ASP A 23 8.543 7.888 30.398 1.00 0.00 C ATOM 307 C ASP A 23 7.157 7.698 29.791 1.00 0.00 C ATOM 308 O ASP A 23 6.384 8.644 29.637 1.00 0.00 O ATOM 309 CB ASP A 23 8.450 7.887 31.925 1.00 0.00 C ATOM 310 CG ASP A 23 8.904 6.574 32.531 1.00 0.00 C ATOM 311 OD1 ASP A 23 10.052 6.161 32.262 1.00 0.00 O ATOM 312 OD2 ASP A 23 8.112 5.959 33.275 1.00 0.00 O ATOM 0 H ASP A 23 9.342 9.809 30.665 1.00 0.00 H new ATOM 0 HA ASP A 23 9.175 7.059 30.080 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.059 8.698 32.324 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.421 8.085 32.224 1.00 0.00 H new ATOM 317 N PRO A 24 6.833 6.445 29.436 1.00 0.00 N ATOM 318 CA PRO A 24 5.539 6.101 28.840 1.00 0.00 C ATOM 319 C PRO A 24 4.391 6.220 29.837 1.00 0.00 C ATOM 320 O PRO A 24 3.257 6.521 29.462 1.00 0.00 O ATOM 321 CB PRO A 24 5.724 4.644 28.408 1.00 0.00 C ATOM 322 CG PRO A 24 6.784 4.114 29.310 1.00 0.00 C ATOM 323 CD PRO A 24 7.705 5.269 29.591 1.00 0.00 C ATOM 0 HA PRO A 24 5.275 6.772 28.023 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.797 4.080 28.512 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.024 4.576 27.362 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.353 3.725 30.233 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.322 3.292 28.839 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.128 5.211 30.594 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.542 5.295 28.893 1.00 0.00 H new ATOM 331 N THR A 25 4.692 5.982 31.110 1.00 0.00 N ATOM 332 CA THR A 25 3.686 6.062 32.161 1.00 0.00 C ATOM 333 C THR A 25 3.058 7.450 32.217 1.00 0.00 C ATOM 334 O THR A 25 1.961 7.626 32.749 1.00 0.00 O ATOM 335 CB THR A 25 4.285 5.726 33.539 1.00 0.00 C ATOM 336 OG1 THR A 25 5.293 6.684 33.882 1.00 0.00 O ATOM 337 CG2 THR A 25 4.884 4.328 33.543 1.00 0.00 C ATOM 0 H THR A 25 5.625 5.732 31.438 1.00 0.00 H new ATOM 0 HA THR A 25 2.917 5.328 31.919 1.00 0.00 H new ATOM 0 HB THR A 25 3.484 5.762 34.277 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.176 6.327 33.651 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.301 4.114 34.527 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.108 3.599 33.311 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.673 4.268 32.794 1.00 0.00 H new ATOM 345 N LEU A 26 3.760 8.434 31.665 1.00 0.00 N ATOM 346 CA LEU A 26 3.270 9.808 31.652 1.00 0.00 C ATOM 347 C LEU A 26 2.368 10.053 30.447 1.00 0.00 C ATOM 348 O LEU A 26 1.930 11.178 30.205 1.00 0.00 O ATOM 349 CB LEU A 26 4.445 10.788 31.631 1.00 0.00 C ATOM 350 CG LEU A 26 5.483 10.615 32.740 1.00 0.00 C ATOM 351 CD1 LEU A 26 6.532 11.713 32.665 1.00 0.00 C ATOM 352 CD2 LEU A 26 4.810 10.611 34.105 1.00 0.00 C ATOM 0 H LEU A 26 4.669 8.306 31.221 1.00 0.00 H new ATOM 0 HA LEU A 26 2.686 9.968 32.558 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.951 10.697 30.670 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.048 11.802 31.687 1.00 0.00 H new ATOM 0 HG LEU A 26 5.980 9.655 32.599 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.262 11.574 33.462 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.036 11.669 31.699 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.051 12.684 32.780 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.564 10.487 34.882 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.286 11.555 34.255 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.097 9.788 34.157 1.00 0.00 H new ATOM 364 N TRP A 27 2.092 8.993 29.695 1.00 0.00 N ATOM 365 CA TRP A 27 1.240 9.093 28.516 1.00 0.00 C ATOM 366 C TRP A 27 -0.232 8.970 28.897 1.00 0.00 C ATOM 367 O TRP A 27 -0.636 8.010 29.553 1.00 0.00 O ATOM 368 CB TRP A 27 1.609 8.009 27.502 1.00 0.00 C ATOM 369 CG TRP A 27 2.973 8.191 26.908 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.798 9.268 27.065 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.669 7.270 26.062 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.965 9.072 26.367 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.911 7.853 25.744 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.365 6.009 25.543 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.845 7.218 24.931 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.293 5.379 24.736 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.521 5.984 24.436 1.00 0.00 C ATOM 0 H TRP A 27 2.446 8.055 29.881 1.00 0.00 H new ATOM 0 HA TRP A 27 1.399 10.072 28.065 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.559 7.035 27.988 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.870 8.004 26.701 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.567 10.145 27.652 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.745 9.728 26.320 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.421 5.535 25.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.792 7.683 24.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.068 4.404 24.330 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.225 5.466 23.802 1.00 0.00 H new ATOM 388 N THR A 28 -1.030 9.949 28.482 1.00 0.00 N ATOM 389 CA THR A 28 -2.456 9.951 28.780 1.00 0.00 C ATOM 390 C THR A 28 -3.211 8.995 27.863 1.00 0.00 C ATOM 391 O THR A 28 -2.605 8.270 27.074 1.00 0.00 O ATOM 392 CB THR A 28 -3.058 11.362 28.640 1.00 0.00 C ATOM 393 OG1 THR A 28 -3.215 11.692 27.255 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.172 12.398 29.316 1.00 0.00 C ATOM 0 H THR A 28 -0.712 10.751 27.938 1.00 0.00 H new ATOM 0 HA THR A 28 -2.563 9.620 29.813 1.00 0.00 H new ATOM 0 HB THR A 28 -4.033 11.367 29.127 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.600 12.590 27.174 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.617 13.386 29.204 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.078 12.160 30.376 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.185 12.390 28.853 1.00 0.00 H new ATOM 402 N GLN A 29 -4.536 9.001 27.971 1.00 0.00 N ATOM 403 CA GLN A 29 -5.372 8.133 27.151 1.00 0.00 C ATOM 404 C GLN A 29 -5.233 8.483 25.673 1.00 0.00 C ATOM 405 O GLN A 29 -5.596 7.693 24.802 1.00 0.00 O ATOM 406 CB GLN A 29 -6.836 8.248 27.578 1.00 0.00 C ATOM 407 CG GLN A 29 -7.492 6.908 27.869 1.00 0.00 C ATOM 408 CD GLN A 29 -8.966 7.039 28.199 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.786 7.323 27.325 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.311 6.830 29.464 1.00 0.00 N ATOM 0 H GLN A 29 -5.053 9.597 28.618 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.038 7.106 27.296 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.898 8.874 28.468 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.396 8.754 26.792 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.374 6.255 27.005 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.978 6.430 28.703 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.598 6.597 30.155 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.289 6.903 29.745 1.00 0.00 H new ATOM 419 N GLU A 30 -4.706 9.672 25.398 1.00 0.00 N ATOM 420 CA GLU A 30 -4.521 10.125 24.024 1.00 0.00 C ATOM 421 C GLU A 30 -3.098 9.848 23.547 1.00 0.00 C ATOM 422 O GLU A 30 -2.888 9.369 22.432 1.00 0.00 O ATOM 423 CB GLU A 30 -4.826 11.621 23.912 1.00 0.00 C ATOM 424 CG GLU A 30 -4.473 12.214 22.558 1.00 0.00 C ATOM 425 CD GLU A 30 -5.406 13.339 22.153 1.00 0.00 C ATOM 426 OE1 GLU A 30 -5.129 14.500 22.520 1.00 0.00 O ATOM 427 OE2 GLU A 30 -6.412 13.058 21.470 1.00 0.00 O ATOM 0 H GLU A 30 -4.400 10.338 26.107 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.213 9.571 23.389 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.887 11.782 24.105 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.276 12.154 24.687 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.449 12.588 22.585 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.506 11.429 21.802 1.00 0.00 H new ATOM 434 N HIS A 31 -2.124 10.154 24.398 1.00 0.00 N ATOM 435 CA HIS A 31 -0.721 9.939 24.065 1.00 0.00 C ATOM 436 C HIS A 31 -0.492 8.511 23.577 1.00 0.00 C ATOM 437 O HIS A 31 0.078 8.294 22.507 1.00 0.00 O ATOM 438 CB HIS A 31 0.164 10.223 25.279 1.00 0.00 C ATOM 439 CG HIS A 31 0.550 11.664 25.414 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.822 12.259 26.628 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.712 12.629 24.479 1.00 0.00 C ATOM 442 CE1 HIS A 31 1.132 13.528 26.433 1.00 0.00 C ATOM 443 NE2 HIS A 31 1.073 13.778 25.138 1.00 0.00 N ATOM 0 H HIS A 31 -2.281 10.552 25.324 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.454 10.627 23.263 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.360 9.910 26.182 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.068 9.618 25.209 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.582 12.516 23.413 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.390 14.240 27.203 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.264 14.678 24.699 1.00 0.00 H new ATOM 451 N VAL A 32 -0.939 7.541 24.368 1.00 0.00 N ATOM 452 CA VAL A 32 -0.783 6.135 24.016 1.00 0.00 C ATOM 453 C VAL A 32 -1.263 5.868 22.594 1.00 0.00 C ATOM 454 O VAL A 32 -0.744 4.986 21.909 1.00 0.00 O ATOM 455 CB VAL A 32 -1.558 5.225 24.987 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.507 3.778 24.519 1.00 0.00 C ATOM 457 CG2 VAL A 32 -1.004 5.357 26.398 1.00 0.00 C ATOM 0 H VAL A 32 -1.412 7.703 25.257 1.00 0.00 H new ATOM 0 HA VAL A 32 0.281 5.907 24.086 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.601 5.541 24.999 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.060 3.150 25.218 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.955 3.700 23.528 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.470 3.446 24.476 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.563 4.707 27.071 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.047 5.068 26.405 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.098 6.391 26.731 1.00 0.00 H new ATOM 467 N ARG A 33 -2.256 6.635 22.156 1.00 0.00 N ATOM 468 CA ARG A 33 -2.807 6.480 20.815 1.00 0.00 C ATOM 469 C ARG A 33 -1.926 7.177 19.782 1.00 0.00 C ATOM 470 O ARG A 33 -1.699 6.653 18.692 1.00 0.00 O ATOM 471 CB ARG A 33 -4.227 7.046 20.756 1.00 0.00 C ATOM 472 CG ARG A 33 -5.099 6.628 21.928 1.00 0.00 C ATOM 473 CD ARG A 33 -6.505 7.193 21.806 1.00 0.00 C ATOM 474 NE ARG A 33 -6.497 8.614 21.468 1.00 0.00 N ATOM 475 CZ ARG A 33 -7.568 9.276 21.046 1.00 0.00 C ATOM 476 NH1 ARG A 33 -8.728 8.648 20.910 1.00 0.00 N ATOM 477 NH2 ARG A 33 -7.481 10.568 20.759 1.00 0.00 N ATOM 0 H ARG A 33 -2.695 7.370 22.710 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.838 5.416 20.582 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.174 8.134 20.724 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.700 6.722 19.829 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.146 5.540 21.978 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.648 6.971 22.859 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.052 6.642 21.041 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.037 7.047 22.746 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.620 9.126 21.561 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.799 7.654 21.130 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.549 9.158 20.586 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.590 11.055 20.862 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.305 11.075 20.435 1.00 0.00 H new ATOM 491 N GLN A 34 -1.434 8.361 20.134 1.00 0.00 N ATOM 492 CA GLN A 34 -0.580 9.129 19.237 1.00 0.00 C ATOM 493 C GLN A 34 0.735 8.400 18.979 1.00 0.00 C ATOM 494 O GLN A 34 1.127 8.195 17.830 1.00 0.00 O ATOM 495 CB GLN A 34 -0.302 10.514 19.824 1.00 0.00 C ATOM 496 CG GLN A 34 -1.274 11.582 19.350 1.00 0.00 C ATOM 497 CD GLN A 34 -0.946 12.956 19.901 1.00 0.00 C ATOM 498 OE1 GLN A 34 -0.439 13.086 21.015 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.233 13.991 19.120 1.00 0.00 N ATOM 0 H GLN A 34 -1.612 8.808 21.033 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.103 9.243 18.288 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.344 10.454 20.912 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.712 10.814 19.560 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.264 11.620 18.261 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.285 11.306 19.650 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.653 13.837 18.203 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.033 14.940 19.437 1.00 0.00 H new ATOM 508 N TRP A 35 1.410 8.012 20.054 1.00 0.00 N ATOM 509 CA TRP A 35 2.682 7.306 19.944 1.00 0.00 C ATOM 510 C TRP A 35 2.537 6.055 19.085 1.00 0.00 C ATOM 511 O TRP A 35 3.437 5.708 18.319 1.00 0.00 O ATOM 512 CB TRP A 35 3.201 6.928 21.333 1.00 0.00 C ATOM 513 CG TRP A 35 4.350 5.967 21.296 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.648 6.253 20.982 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.304 4.565 21.582 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.411 5.112 21.056 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.610 4.064 21.422 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.286 3.684 21.959 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.923 2.722 21.626 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.598 2.353 22.160 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.907 1.882 21.994 1.00 0.00 C ATOM 0 H TRP A 35 1.099 8.174 21.012 1.00 0.00 H new ATOM 0 HA TRP A 35 3.399 7.973 19.465 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.510 7.833 21.856 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.387 6.488 21.910 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.020 7.231 20.715 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.412 5.055 20.869 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.274 4.037 22.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.932 2.357 21.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.819 1.664 22.450 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.118 0.836 22.160 1.00 0.00 H new ATOM 532 N LEU A 36 1.400 5.380 19.216 1.00 0.00 N ATOM 533 CA LEU A 36 1.137 4.167 18.451 1.00 0.00 C ATOM 534 C LEU A 36 1.129 4.458 16.954 1.00 0.00 C ATOM 535 O LEU A 36 1.932 3.907 16.201 1.00 0.00 O ATOM 536 CB LEU A 36 -0.202 3.556 18.870 1.00 0.00 C ATOM 537 CG LEU A 36 -0.266 2.028 18.886 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.552 1.472 20.041 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.710 1.556 18.977 1.00 0.00 C ATOM 0 H LEU A 36 0.645 5.653 19.845 1.00 0.00 H new ATOM 0 HA LEU A 36 1.936 3.455 18.660 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.449 3.921 19.867 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.974 3.925 18.195 1.00 0.00 H new ATOM 0 HG LEU A 36 0.159 1.656 17.954 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.495 0.384 20.037 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.592 1.781 19.933 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.157 1.852 20.983 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.737 0.466 18.987 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.161 1.939 19.893 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.268 1.924 18.116 1.00 0.00 H new ATOM 551 N GLU A 37 0.219 5.330 16.530 1.00 0.00 N ATOM 552 CA GLU A 37 0.109 5.695 15.122 1.00 0.00 C ATOM 553 C GLU A 37 1.451 6.177 14.579 1.00 0.00 C ATOM 554 O GLU A 37 1.728 6.059 13.386 1.00 0.00 O ATOM 555 CB GLU A 37 -0.950 6.783 14.936 1.00 0.00 C ATOM 556 CG GLU A 37 -2.290 6.442 15.565 1.00 0.00 C ATOM 557 CD GLU A 37 -3.451 6.643 14.609 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.909 7.797 14.468 1.00 0.00 O ATOM 559 OE2 GLU A 37 -3.900 5.649 14.003 1.00 0.00 O ATOM 0 H GLU A 37 -0.452 5.796 17.141 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.191 4.808 14.565 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.582 7.714 15.367 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.093 6.960 13.870 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.276 5.405 15.901 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.441 7.062 16.449 1.00 0.00 H new ATOM 566 N TRP A 38 2.279 6.722 15.463 1.00 0.00 N ATOM 567 CA TRP A 38 3.592 7.223 15.073 1.00 0.00 C ATOM 568 C TRP A 38 4.539 6.073 14.748 1.00 0.00 C ATOM 569 O TRP A 38 5.026 5.957 13.624 1.00 0.00 O ATOM 570 CB TRP A 38 4.183 8.087 16.188 1.00 0.00 C ATOM 571 CG TRP A 38 5.636 8.398 15.992 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.183 9.169 15.007 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.726 7.943 16.801 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.549 9.221 15.155 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.906 8.477 16.248 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.820 7.138 17.939 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.163 8.231 16.795 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.068 6.894 18.481 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.225 7.439 17.910 1.00 0.00 C ATOM 0 H TRP A 38 2.065 6.828 16.455 1.00 0.00 H new ATOM 0 HA TRP A 38 3.469 7.832 14.177 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.624 9.021 16.249 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.054 7.575 17.142 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.625 9.665 14.227 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.192 9.731 14.549 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.934 6.714 18.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.056 8.650 16.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.152 6.272 19.360 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.185 7.230 18.358 1.00 0.00 H new ATOM 590 N ALA A 39 4.796 5.226 15.739 1.00 0.00 N ATOM 591 CA ALA A 39 5.683 4.084 15.556 1.00 0.00 C ATOM 592 C ALA A 39 5.278 3.263 14.336 1.00 0.00 C ATOM 593 O ALA A 39 6.119 2.630 13.696 1.00 0.00 O ATOM 594 CB ALA A 39 5.685 3.212 16.804 1.00 0.00 C ATOM 0 H ALA A 39 4.403 5.309 16.676 1.00 0.00 H new ATOM 0 HA ALA A 39 6.691 4.462 15.388 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.352 2.363 16.653 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.030 3.797 17.656 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.675 2.851 16.997 1.00 0.00 H new ATOM 600 N ILE A 40 3.988 3.279 14.020 1.00 0.00 N ATOM 601 CA ILE A 40 3.473 2.537 12.876 1.00 0.00 C ATOM 602 C ILE A 40 3.913 3.176 11.563 1.00 0.00 C ATOM 603 O ILE A 40 4.401 2.495 10.661 1.00 0.00 O ATOM 604 CB ILE A 40 1.936 2.454 12.904 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.464 1.752 14.179 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.422 1.726 11.671 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.083 2.175 14.627 1.00 0.00 C ATOM 0 H ILE A 40 3.280 3.798 14.540 1.00 0.00 H new ATOM 0 HA ILE A 40 3.884 1.530 12.943 1.00 0.00 H new ATOM 0 HB ILE A 40 1.532 3.467 12.899 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.469 0.675 14.014 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.175 1.955 14.980 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.334 1.676 11.706 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.732 2.264 10.775 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.831 0.716 11.648 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.185 1.637 15.536 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.077 3.247 14.825 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.640 1.947 13.844 1.00 0.00 H new ATOM 619 N LYS A 41 3.739 4.489 11.463 1.00 0.00 N ATOM 620 CA LYS A 41 4.120 5.223 10.262 1.00 0.00 C ATOM 621 C LYS A 41 5.636 5.363 10.169 1.00 0.00 C ATOM 622 O LYS A 41 6.183 5.566 9.086 1.00 0.00 O ATOM 623 CB LYS A 41 3.468 6.607 10.257 1.00 0.00 C ATOM 624 CG LYS A 41 3.903 7.489 11.414 1.00 0.00 C ATOM 625 CD LYS A 41 3.420 8.919 11.238 1.00 0.00 C ATOM 626 CE LYS A 41 4.584 9.888 11.096 1.00 0.00 C ATOM 627 NZ LYS A 41 5.117 9.915 9.706 1.00 0.00 N ATOM 0 H LYS A 41 3.336 5.068 12.200 1.00 0.00 H new ATOM 0 HA LYS A 41 3.771 4.661 9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.707 7.108 9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.385 6.489 10.288 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.512 7.085 12.348 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.990 7.478 11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.783 8.983 10.356 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.809 9.206 12.094 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.260 10.889 11.380 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.380 9.603 11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.909 10.587 9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.450 8.965 9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.365 10.211 9.052 1.00 0.00 H new ATOM 641 N GLU A 42 6.308 5.253 11.311 1.00 0.00 N ATOM 642 CA GLU A 42 7.761 5.368 11.356 1.00 0.00 C ATOM 643 C GLU A 42 8.422 4.031 11.030 1.00 0.00 C ATOM 644 O GLU A 42 9.275 3.948 10.147 1.00 0.00 O ATOM 645 CB GLU A 42 8.214 5.851 12.735 1.00 0.00 C ATOM 646 CG GLU A 42 9.722 5.988 12.867 1.00 0.00 C ATOM 647 CD GLU A 42 10.358 6.623 11.646 1.00 0.00 C ATOM 648 OE1 GLU A 42 10.200 7.849 11.464 1.00 0.00 O ATOM 649 OE2 GLU A 42 11.016 5.895 10.874 1.00 0.00 O ATOM 0 H GLU A 42 5.870 5.085 12.216 1.00 0.00 H new ATOM 0 HA GLU A 42 8.066 6.097 10.606 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.750 6.815 12.943 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.853 5.154 13.491 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.953 6.589 13.747 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.160 5.003 13.030 1.00 0.00 H new ATOM 656 N TYR A 43 8.022 2.989 11.751 1.00 0.00 N ATOM 657 CA TYR A 43 8.577 1.658 11.541 1.00 0.00 C ATOM 658 C TYR A 43 7.784 0.897 10.483 1.00 0.00 C ATOM 659 O TYR A 43 7.996 -0.297 10.271 1.00 0.00 O ATOM 660 CB TYR A 43 8.582 0.872 12.854 1.00 0.00 C ATOM 661 CG TYR A 43 9.144 1.649 14.023 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.352 2.327 13.916 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.465 1.708 15.234 1.00 0.00 C ATOM 664 CE1 TYR A 43 10.869 3.037 14.982 1.00 0.00 C ATOM 665 CE2 TYR A 43 8.973 2.417 16.305 1.00 0.00 C ATOM 666 CZ TYR A 43 10.176 3.080 16.174 1.00 0.00 C ATOM 667 OH TYR A 43 10.687 3.788 17.237 1.00 0.00 O ATOM 0 H TYR A 43 7.316 3.041 12.485 1.00 0.00 H new ATOM 0 HA TYR A 43 9.602 1.771 11.188 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.562 0.566 13.088 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.165 -0.039 12.720 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.896 2.298 12.983 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.523 1.190 15.340 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.811 3.556 14.883 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.432 2.452 17.239 1.00 0.00 H new ATOM 0 HH TYR A 43 9.951 4.127 17.788 1.00 0.00 H new ATOM 677 N SER A 44 6.870 1.598 9.821 1.00 0.00 N ATOM 678 CA SER A 44 6.042 0.990 8.786 1.00 0.00 C ATOM 679 C SER A 44 5.376 -0.283 9.302 1.00 0.00 C ATOM 680 O SER A 44 5.348 -1.305 8.615 1.00 0.00 O ATOM 681 CB SER A 44 6.885 0.672 7.550 1.00 0.00 C ATOM 682 OG SER A 44 7.217 1.854 6.842 1.00 0.00 O ATOM 0 H SER A 44 6.684 2.588 9.983 1.00 0.00 H new ATOM 0 HA SER A 44 5.264 1.702 8.513 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.797 0.156 7.851 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.336 -0.006 6.896 1.00 0.00 H new ATOM 0 HG SER A 44 7.757 1.624 6.057 1.00 0.00 H new ATOM 688 N LEU A 45 4.839 -0.212 10.515 1.00 0.00 N ATOM 689 CA LEU A 45 4.173 -1.357 11.125 1.00 0.00 C ATOM 690 C LEU A 45 2.838 -1.637 10.442 1.00 0.00 C ATOM 691 O LEU A 45 2.084 -0.715 10.129 1.00 0.00 O ATOM 692 CB LEU A 45 3.953 -1.109 12.618 1.00 0.00 C ATOM 693 CG LEU A 45 5.182 -0.670 13.414 1.00 0.00 C ATOM 694 CD1 LEU A 45 4.804 -0.361 14.854 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.262 -1.741 13.362 1.00 0.00 C ATOM 0 H LEU A 45 4.852 0.627 11.095 1.00 0.00 H new ATOM 0 HA LEU A 45 4.815 -2.229 10.999 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.182 -0.347 12.729 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.564 -2.024 13.064 1.00 0.00 H new ATOM 0 HG LEU A 45 5.578 0.239 12.961 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.692 -0.050 15.405 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.066 0.441 14.872 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.382 -1.252 15.319 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.129 -1.411 13.934 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.877 -2.667 13.789 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.555 -1.913 12.326 1.00 0.00 H new ATOM 707 N MET A 46 2.551 -2.914 10.216 1.00 0.00 N ATOM 708 CA MET A 46 1.304 -3.315 9.573 1.00 0.00 C ATOM 709 C MET A 46 0.608 -4.411 10.374 1.00 0.00 C ATOM 710 O MET A 46 1.232 -5.086 11.191 1.00 0.00 O ATOM 711 CB MET A 46 1.574 -3.802 8.148 1.00 0.00 C ATOM 712 CG MET A 46 2.506 -2.894 7.362 1.00 0.00 C ATOM 713 SD MET A 46 2.068 -2.795 5.615 1.00 0.00 S ATOM 714 CE MET A 46 3.344 -1.695 5.009 1.00 0.00 C ATOM 0 H MET A 46 3.164 -3.689 10.468 1.00 0.00 H new ATOM 0 HA MET A 46 0.648 -2.445 9.534 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.005 -4.802 8.190 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.627 -3.885 7.616 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.484 -1.894 7.795 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.528 -3.260 7.456 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.209 -1.535 3.939 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.278 -0.740 5.530 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.323 -2.139 5.188 1.00 0.00 H new ATOM 724 N GLU A 47 -0.689 -4.580 10.133 1.00 0.00 N ATOM 725 CA GLU A 47 -1.469 -5.594 10.834 1.00 0.00 C ATOM 726 C GLU A 47 -1.524 -5.300 12.331 1.00 0.00 C ATOM 727 O GLU A 47 -1.481 -6.213 13.155 1.00 0.00 O ATOM 728 CB GLU A 47 -0.872 -6.983 10.598 1.00 0.00 C ATOM 729 CG GLU A 47 -0.559 -7.270 9.139 1.00 0.00 C ATOM 730 CD GLU A 47 -1.052 -8.633 8.694 1.00 0.00 C ATOM 731 OE1 GLU A 47 -0.616 -9.643 9.286 1.00 0.00 O ATOM 732 OE2 GLU A 47 -1.872 -8.690 7.754 1.00 0.00 O ATOM 0 H GLU A 47 -1.221 -4.029 9.459 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.485 -5.571 10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.042 -7.081 11.183 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.568 -7.736 10.967 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.015 -6.501 8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.518 -7.209 8.983 1.00 0.00 H new ATOM 739 N ILE A 48 -1.617 -4.019 12.673 1.00 0.00 N ATOM 740 CA ILE A 48 -1.678 -3.604 14.069 1.00 0.00 C ATOM 741 C ILE A 48 -3.068 -3.089 14.429 1.00 0.00 C ATOM 742 O ILE A 48 -3.676 -2.332 13.672 1.00 0.00 O ATOM 743 CB ILE A 48 -0.641 -2.509 14.377 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.553 -2.268 15.885 1.00 0.00 C ATOM 745 CG2 ILE A 48 -0.998 -1.221 13.649 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.831 -1.881 16.356 1.00 0.00 C ATOM 0 H ILE A 48 -1.652 -3.251 12.003 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.453 -4.485 14.670 1.00 0.00 H new ATOM 0 HB ILE A 48 0.334 -2.844 14.025 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.255 -1.481 16.160 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.866 -3.172 16.408 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.255 -0.456 13.877 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.014 -1.403 12.574 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.981 -0.880 13.974 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.818 -1.726 17.435 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.534 -2.677 16.112 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.140 -0.960 15.861 1.00 0.00 H new ATOM 758 N ASP A 49 -3.563 -3.502 15.590 1.00 0.00 N ATOM 759 CA ASP A 49 -4.880 -3.080 16.053 1.00 0.00 C ATOM 760 C ASP A 49 -4.768 -1.881 16.990 1.00 0.00 C ATOM 761 O ASP A 49 -4.637 -2.038 18.204 1.00 0.00 O ATOM 762 CB ASP A 49 -5.588 -4.234 16.764 1.00 0.00 C ATOM 763 CG ASP A 49 -7.075 -3.986 16.931 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.488 -2.808 16.890 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.824 -4.970 17.101 1.00 0.00 O ATOM 0 H ASP A 49 -3.072 -4.129 16.228 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.467 -2.785 15.183 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.437 -5.153 16.198 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.136 -4.386 17.744 1.00 0.00 H new ATOM 770 N THR A 50 -4.819 -0.682 16.417 1.00 0.00 N ATOM 771 CA THR A 50 -4.721 0.543 17.200 1.00 0.00 C ATOM 772 C THR A 50 -5.912 0.692 18.140 1.00 0.00 C ATOM 773 O THR A 50 -5.814 1.337 19.184 1.00 0.00 O ATOM 774 CB THR A 50 -4.641 1.785 16.291 1.00 0.00 C ATOM 775 OG1 THR A 50 -5.824 1.885 15.492 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.417 1.717 15.389 1.00 0.00 C ATOM 0 H THR A 50 -4.928 -0.534 15.414 1.00 0.00 H new ATOM 0 HA THR A 50 -3.805 0.471 17.787 1.00 0.00 H new ATOM 0 HB THR A 50 -4.557 2.667 16.925 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.766 2.678 14.919 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.381 2.604 14.756 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.516 1.671 16.001 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.476 0.827 14.763 1.00 0.00 H new ATOM 784 N SER A 51 -7.036 0.091 17.763 1.00 0.00 N ATOM 785 CA SER A 51 -8.248 0.159 18.572 1.00 0.00 C ATOM 786 C SER A 51 -8.019 -0.460 19.947 1.00 0.00 C ATOM 787 O SER A 51 -8.692 -0.113 20.917 1.00 0.00 O ATOM 788 CB SER A 51 -9.400 -0.555 17.863 1.00 0.00 C ATOM 789 OG SER A 51 -9.613 -1.845 18.409 1.00 0.00 O ATOM 0 H SER A 51 -7.133 -0.448 16.903 1.00 0.00 H new ATOM 0 HA SER A 51 -8.508 1.209 18.705 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.311 0.037 17.955 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.180 -0.639 16.799 1.00 0.00 H new ATOM 0 HG SER A 51 -8.959 -2.471 18.033 1.00 0.00 H new ATOM 795 N PHE A 52 -7.063 -1.381 20.022 1.00 0.00 N ATOM 796 CA PHE A 52 -6.744 -2.051 21.278 1.00 0.00 C ATOM 797 C PHE A 52 -6.176 -1.063 22.293 1.00 0.00 C ATOM 798 O PHE A 52 -6.247 -1.288 23.501 1.00 0.00 O ATOM 799 CB PHE A 52 -5.744 -3.183 21.036 1.00 0.00 C ATOM 800 CG PHE A 52 -5.912 -4.342 21.977 1.00 0.00 C ATOM 801 CD1 PHE A 52 -6.772 -5.384 21.666 1.00 0.00 C ATOM 802 CD2 PHE A 52 -5.211 -4.390 23.171 1.00 0.00 C ATOM 803 CE1 PHE A 52 -6.929 -6.452 22.529 1.00 0.00 C ATOM 804 CE2 PHE A 52 -5.364 -5.456 24.037 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.225 -6.488 23.717 1.00 0.00 C ATOM 0 H PHE A 52 -6.496 -1.680 19.228 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.666 -2.470 21.682 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.851 -3.539 20.011 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.732 -2.790 21.133 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.325 -5.361 20.739 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.538 -3.586 23.428 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.602 -7.258 22.275 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.810 -5.482 24.964 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.347 -7.321 24.394 1.00 0.00 H new ATOM 815 N PHE A 53 -5.613 0.032 21.792 1.00 0.00 N ATOM 816 CA PHE A 53 -5.031 1.054 22.654 1.00 0.00 C ATOM 817 C PHE A 53 -5.806 2.364 22.544 1.00 0.00 C ATOM 818 O PHE A 53 -5.281 3.435 22.848 1.00 0.00 O ATOM 819 CB PHE A 53 -3.563 1.285 22.288 1.00 0.00 C ATOM 820 CG PHE A 53 -2.771 0.016 22.161 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.771 -0.702 20.976 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.025 -0.460 23.228 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.043 -1.870 20.856 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.293 -1.627 23.113 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.303 -2.334 21.927 1.00 0.00 C ATOM 0 H PHE A 53 -5.548 0.234 20.794 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.091 0.702 23.684 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.513 1.831 21.346 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.102 1.917 23.047 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.347 -0.344 20.136 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.016 0.087 24.159 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.052 -2.420 19.926 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.713 -1.986 23.951 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.734 -3.247 21.837 1.00 0.00 H new ATOM 835 N GLN A 54 -7.058 2.269 22.107 1.00 0.00 N ATOM 836 CA GLN A 54 -7.905 3.446 21.956 1.00 0.00 C ATOM 837 C GLN A 54 -8.184 4.094 23.308 1.00 0.00 C ATOM 838 O GLN A 54 -8.355 5.308 23.402 1.00 0.00 O ATOM 839 CB GLN A 54 -9.223 3.068 21.277 1.00 0.00 C ATOM 840 CG GLN A 54 -10.160 2.270 22.169 1.00 0.00 C ATOM 841 CD GLN A 54 -11.501 2.002 21.515 1.00 0.00 C ATOM 842 OE1 GLN A 54 -11.822 2.575 20.474 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.293 1.127 22.125 1.00 0.00 N ATOM 0 H GLN A 54 -7.508 1.390 21.852 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.375 4.165 21.332 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.729 3.977 20.954 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.007 2.488 20.380 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.690 1.321 22.427 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.317 2.812 23.102 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.986 0.675 22.987 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.208 0.907 21.732 1.00 0.00 H new ATOM 852 N ASN A 55 -8.228 3.274 24.354 1.00 0.00 N ATOM 853 CA ASN A 55 -8.487 3.767 25.701 1.00 0.00 C ATOM 854 C ASN A 55 -7.510 3.157 26.701 1.00 0.00 C ATOM 855 O ASN A 55 -7.854 2.928 27.860 1.00 0.00 O ATOM 856 CB ASN A 55 -9.925 3.448 26.116 1.00 0.00 C ATOM 857 CG ASN A 55 -10.442 4.394 27.183 1.00 0.00 C ATOM 858 OD1 ASN A 55 -9.938 4.415 28.306 1.00 0.00 O ATOM 859 ND2 ASN A 55 -11.453 5.181 26.836 1.00 0.00 N ATOM 0 H ASN A 55 -8.088 2.266 24.294 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.348 4.848 25.698 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.573 3.502 25.241 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.975 2.424 26.487 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.844 5.837 27.512 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.839 5.129 25.893 1.00 0.00 H new ATOM 866 N MET A 56 -6.289 2.897 26.244 1.00 0.00 N ATOM 867 CA MET A 56 -5.261 2.315 27.099 1.00 0.00 C ATOM 868 C MET A 56 -4.304 3.389 27.606 1.00 0.00 C ATOM 869 O MET A 56 -3.399 3.816 26.888 1.00 0.00 O ATOM 870 CB MET A 56 -4.483 1.239 26.338 1.00 0.00 C ATOM 871 CG MET A 56 -3.419 0.551 27.177 1.00 0.00 C ATOM 872 SD MET A 56 -3.716 -1.217 27.362 1.00 0.00 S ATOM 873 CE MET A 56 -3.668 -1.749 25.652 1.00 0.00 C ATOM 0 H MET A 56 -5.988 3.080 25.287 1.00 0.00 H new ATOM 0 HA MET A 56 -5.753 1.858 27.957 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.183 0.490 25.968 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.010 1.692 25.467 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.443 0.705 26.717 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.383 1.015 28.163 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.276 -2.646 25.533 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.060 -0.957 25.014 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.639 -1.968 25.368 1.00 0.00 H new ATOM 883 N ASP A 57 -4.508 3.820 28.846 1.00 0.00 N ATOM 884 CA ASP A 57 -3.662 4.844 29.448 1.00 0.00 C ATOM 885 C ASP A 57 -2.207 4.389 29.492 1.00 0.00 C ATOM 886 O ASP A 57 -1.920 3.196 29.574 1.00 0.00 O ATOM 887 CB ASP A 57 -4.149 5.172 30.861 1.00 0.00 C ATOM 888 CG ASP A 57 -4.507 3.929 31.653 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.580 3.245 32.134 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.714 3.642 31.792 1.00 0.00 O ATOM 0 H ASP A 57 -5.252 3.476 29.454 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.725 5.741 28.832 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.373 5.726 31.390 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.020 5.824 30.800 1.00 0.00 H new ATOM 895 N GLY A 58 -1.290 5.351 29.434 1.00 0.00 N ATOM 896 CA GLY A 58 0.125 5.029 29.467 1.00 0.00 C ATOM 897 C GLY A 58 0.460 3.994 30.522 1.00 0.00 C ATOM 898 O GLY A 58 1.340 3.155 30.323 1.00 0.00 O ATOM 0 H GLY A 58 -1.502 6.346 29.365 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.433 4.659 28.489 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.697 5.937 29.659 1.00 0.00 H new ATOM 902 N LYS A 59 -0.241 4.052 31.649 1.00 0.00 N ATOM 903 CA LYS A 59 -0.014 3.113 32.741 1.00 0.00 C ATOM 904 C LYS A 59 -0.345 1.687 32.311 1.00 0.00 C ATOM 905 O LYS A 59 0.423 0.760 32.561 1.00 0.00 O ATOM 906 CB LYS A 59 -0.859 3.499 33.957 1.00 0.00 C ATOM 907 CG LYS A 59 -0.444 4.815 34.592 1.00 0.00 C ATOM 908 CD LYS A 59 0.496 4.597 35.766 1.00 0.00 C ATOM 909 CE LYS A 59 1.842 4.057 35.309 1.00 0.00 C ATOM 910 NZ LYS A 59 1.906 2.572 35.403 1.00 0.00 N ATOM 0 H LYS A 59 -0.972 4.740 31.830 1.00 0.00 H new ATOM 0 HA LYS A 59 1.041 3.157 33.010 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.905 3.564 33.657 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.790 2.707 34.703 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.044 5.442 33.846 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.330 5.352 34.929 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.641 5.538 36.297 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.044 3.900 36.471 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.025 4.364 34.279 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.634 4.494 35.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.542 2.300 36.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.954 2.194 35.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.267 2.183 34.509 1.00 0.00 H new ATOM 924 N GLU A 60 -1.493 1.522 31.661 1.00 0.00 N ATOM 925 CA GLU A 60 -1.925 0.209 31.196 1.00 0.00 C ATOM 926 C GLU A 60 -1.145 -0.211 29.953 1.00 0.00 C ATOM 927 O GLU A 60 -1.208 -1.365 29.527 1.00 0.00 O ATOM 928 CB GLU A 60 -3.424 0.218 30.893 1.00 0.00 C ATOM 929 CG GLU A 60 -4.296 0.298 32.134 1.00 0.00 C ATOM 930 CD GLU A 60 -5.742 0.622 31.812 1.00 0.00 C ATOM 931 OE1 GLU A 60 -6.148 0.426 30.648 1.00 0.00 O ATOM 932 OE2 GLU A 60 -6.467 1.072 32.724 1.00 0.00 O ATOM 0 H GLU A 60 -2.140 2.280 31.445 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.727 -0.512 31.989 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.650 1.065 30.245 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.679 -0.685 30.338 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.251 -0.652 32.667 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.898 1.059 32.805 1.00 0.00 H new ATOM 939 N LEU A 61 -0.413 0.734 29.374 1.00 0.00 N ATOM 940 CA LEU A 61 0.379 0.464 28.179 1.00 0.00 C ATOM 941 C LEU A 61 1.781 -0.007 28.550 1.00 0.00 C ATOM 942 O LEU A 61 2.357 -0.864 27.878 1.00 0.00 O ATOM 943 CB LEU A 61 0.463 1.717 27.305 1.00 0.00 C ATOM 944 CG LEU A 61 1.565 1.723 26.245 1.00 0.00 C ATOM 945 CD1 LEU A 61 1.344 0.603 25.240 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.620 3.071 25.541 1.00 0.00 C ATOM 0 H LEU A 61 -0.351 1.694 29.713 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.114 -0.330 27.618 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.496 1.851 26.804 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.607 2.580 27.955 1.00 0.00 H new ATOM 0 HG LEU A 61 2.521 1.555 26.741 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.138 0.623 24.493 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.355 -0.357 25.757 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.380 0.740 24.749 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.410 3.057 24.790 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.663 3.268 25.058 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.826 3.854 26.270 1.00 0.00 H new ATOM 958 N CYS A 62 2.325 0.557 29.622 1.00 0.00 N ATOM 959 CA CYS A 62 3.660 0.194 30.084 1.00 0.00 C ATOM 960 C CYS A 62 3.632 -1.131 30.839 1.00 0.00 C ATOM 961 O CYS A 62 4.670 -1.756 31.056 1.00 0.00 O ATOM 962 CB CYS A 62 4.229 1.294 30.980 1.00 0.00 C ATOM 963 SG CYS A 62 3.445 1.402 32.606 1.00 0.00 S ATOM 0 H CYS A 62 1.862 1.268 30.188 1.00 0.00 H new ATOM 0 HA CYS A 62 4.302 0.080 29.210 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.297 1.122 31.114 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.122 2.253 30.473 1.00 0.00 H new ATOM 0 HG CYS A 62 2.181 1.120 32.498 1.00 0.00 H new ATOM 969 N LYS A 63 2.438 -1.553 31.240 1.00 0.00 N ATOM 970 CA LYS A 63 2.273 -2.803 31.972 1.00 0.00 C ATOM 971 C LYS A 63 2.059 -3.970 31.014 1.00 0.00 C ATOM 972 O LYS A 63 2.382 -5.114 31.334 1.00 0.00 O ATOM 973 CB LYS A 63 1.091 -2.699 32.939 1.00 0.00 C ATOM 974 CG LYS A 63 -0.263 -2.768 32.254 1.00 0.00 C ATOM 975 CD LYS A 63 -1.400 -2.739 33.262 1.00 0.00 C ATOM 976 CE LYS A 63 -1.750 -4.137 33.748 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.111 -4.191 34.349 1.00 0.00 N ATOM 0 H LYS A 63 1.569 -1.047 31.070 1.00 0.00 H new ATOM 0 HA LYS A 63 3.185 -2.986 32.541 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.160 -3.503 33.671 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.163 -1.760 33.489 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.366 -1.930 31.564 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.325 -3.680 31.660 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.118 -2.117 34.112 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.278 -2.280 32.808 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.694 -4.836 32.914 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.015 -4.460 34.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.312 -5.160 34.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.158 -3.543 35.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.816 -3.907 33.639 1.00 0.00 H new ATOM 991 N MET A 64 1.515 -3.673 29.839 1.00 0.00 N ATOM 992 CA MET A 64 1.262 -4.699 28.834 1.00 0.00 C ATOM 993 C MET A 64 2.518 -5.524 28.570 1.00 0.00 C ATOM 994 O MET A 64 3.636 -5.030 28.709 1.00 0.00 O ATOM 995 CB MET A 64 0.775 -4.059 27.532 1.00 0.00 C ATOM 996 CG MET A 64 -0.628 -3.480 27.627 1.00 0.00 C ATOM 997 SD MET A 64 -1.834 -4.422 26.673 1.00 0.00 S ATOM 998 CE MET A 64 -1.114 -4.332 25.036 1.00 0.00 C ATOM 0 H MET A 64 1.241 -2.731 29.559 1.00 0.00 H new ATOM 0 HA MET A 64 0.487 -5.363 29.216 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.467 -3.268 27.245 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.798 -4.806 26.739 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.937 -3.455 28.672 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.616 -2.449 27.274 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.905 -4.203 24.297 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.429 -3.485 24.986 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.569 -5.252 24.827 1.00 0.00 H new ATOM 1008 N ASN A 65 2.325 -6.782 28.188 1.00 0.00 N ATOM 1009 CA ASN A 65 3.442 -7.675 27.905 1.00 0.00 C ATOM 1010 C ASN A 65 3.385 -8.180 26.467 1.00 0.00 C ATOM 1011 O ASN A 65 2.452 -7.870 25.725 1.00 0.00 O ATOM 1012 CB ASN A 65 3.434 -8.859 28.874 1.00 0.00 C ATOM 1013 CG ASN A 65 2.909 -8.480 30.245 1.00 0.00 C ATOM 1014 OD1 ASN A 65 3.565 -7.759 30.996 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.719 -8.967 30.578 1.00 0.00 N ATOM 0 H ASN A 65 1.405 -7.206 28.067 1.00 0.00 H new ATOM 0 HA ASN A 65 4.366 -7.112 28.037 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.819 -9.659 28.461 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.446 -9.252 28.971 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.314 -8.747 31.488 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.210 -9.561 29.924 1.00 0.00 H new ATOM 1022 N LYS A 66 4.388 -8.960 26.079 1.00 0.00 N ATOM 1023 CA LYS A 66 4.452 -9.511 24.730 1.00 0.00 C ATOM 1024 C LYS A 66 3.146 -10.209 24.365 1.00 0.00 C ATOM 1025 O LYS A 66 2.709 -10.163 23.215 1.00 0.00 O ATOM 1026 CB LYS A 66 5.619 -10.495 24.614 1.00 0.00 C ATOM 1027 CG LYS A 66 5.850 -11.000 23.201 1.00 0.00 C ATOM 1028 CD LYS A 66 7.218 -10.594 22.680 1.00 0.00 C ATOM 1029 CE LYS A 66 7.495 -11.195 21.311 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.703 -12.067 21.322 1.00 0.00 N ATOM 0 H LYS A 66 5.168 -9.225 26.680 1.00 0.00 H new ATOM 0 HA LYS A 66 4.609 -8.687 24.034 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.528 -10.011 24.971 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.432 -11.346 25.269 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.761 -12.086 23.183 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.077 -10.605 22.542 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.278 -9.507 22.620 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.986 -10.917 23.382 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.631 -11.776 20.988 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.631 -10.395 20.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.588 -12.829 20.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.542 -11.501 21.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.824 -12.481 22.268 1.00 0.00 H new ATOM 1044 N GLU A 67 2.528 -10.852 25.350 1.00 0.00 N ATOM 1045 CA GLU A 67 1.271 -11.558 25.131 1.00 0.00 C ATOM 1046 C GLU A 67 0.138 -10.576 24.847 1.00 0.00 C ATOM 1047 O GLU A 67 -0.487 -10.622 23.787 1.00 0.00 O ATOM 1048 CB GLU A 67 0.924 -12.417 26.348 1.00 0.00 C ATOM 1049 CG GLU A 67 1.034 -13.911 26.090 1.00 0.00 C ATOM 1050 CD GLU A 67 -0.317 -14.572 25.905 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -0.875 -14.478 24.791 1.00 0.00 O ATOM 1052 OE2 GLU A 67 -0.817 -15.183 26.872 1.00 0.00 O ATOM 0 H GLU A 67 2.877 -10.899 26.307 1.00 0.00 H new ATOM 0 HA GLU A 67 1.394 -12.205 24.262 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.586 -12.149 27.172 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.092 -12.186 26.668 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.641 -14.078 25.200 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.554 -14.383 26.924 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.122 -9.690 25.802 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.179 -8.697 25.656 1.00 0.00 C ATOM 1061 C ASP A 68 -0.968 -7.859 24.399 1.00 0.00 C ATOM 1062 O ASP A 68 -1.924 -7.351 23.811 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.229 -7.789 26.886 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.211 -8.572 28.184 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.669 -9.733 28.183 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.739 -8.022 29.202 1.00 0.00 O ATOM 0 H ASP A 68 0.385 -9.639 26.686 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.128 -9.225 25.564 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.380 -7.106 26.865 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.130 -7.177 26.846 1.00 0.00 H new ATOM 1071 N PHE A 69 0.289 -7.718 23.992 1.00 0.00 N ATOM 1072 CA PHE A 69 0.626 -6.940 22.805 1.00 0.00 C ATOM 1073 C PHE A 69 0.376 -7.749 21.536 1.00 0.00 C ATOM 1074 O PHE A 69 -0.052 -7.209 20.515 1.00 0.00 O ATOM 1075 CB PHE A 69 2.089 -6.495 22.860 1.00 0.00 C ATOM 1076 CG PHE A 69 2.271 -5.104 23.397 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.866 -4.003 22.659 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.850 -4.897 24.639 1.00 0.00 C ATOM 1079 CE1 PHE A 69 2.033 -2.722 23.150 1.00 0.00 C ATOM 1080 CE2 PHE A 69 3.018 -3.618 25.135 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.610 -2.529 24.389 1.00 0.00 C ATOM 0 H PHE A 69 1.091 -8.132 24.466 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.014 -6.058 22.785 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.650 -7.193 23.482 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.515 -6.548 21.858 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.415 -4.148 21.689 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.173 -5.744 25.226 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.712 -1.873 22.565 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.468 -3.470 26.105 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.742 -1.529 24.774 1.00 0.00 H new ATOM 1091 N LEU A 70 0.648 -9.048 21.606 1.00 0.00 N ATOM 1092 CA LEU A 70 0.454 -9.933 20.463 1.00 0.00 C ATOM 1093 C LEU A 70 -1.030 -10.111 20.157 1.00 0.00 C ATOM 1094 O LEU A 70 -1.402 -10.528 19.061 1.00 0.00 O ATOM 1095 CB LEU A 70 1.097 -11.294 20.732 1.00 0.00 C ATOM 1096 CG LEU A 70 2.501 -11.498 20.161 1.00 0.00 C ATOM 1097 CD1 LEU A 70 3.066 -12.840 20.599 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.479 -11.397 18.643 1.00 0.00 C ATOM 0 H LEU A 70 1.003 -9.511 22.442 1.00 0.00 H new ATOM 0 HA LEU A 70 0.933 -9.476 19.597 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.139 -11.447 21.810 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.445 -12.068 20.326 1.00 0.00 H new ATOM 0 HG LEU A 70 3.148 -10.711 20.549 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.065 -12.967 20.183 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.119 -12.875 21.687 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.419 -13.641 20.241 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.486 -11.545 18.254 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.817 -12.162 18.237 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.117 -10.412 18.349 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.873 -9.789 21.133 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.316 -9.912 20.968 1.00 0.00 C ATOM 1112 C ARG A 71 -3.889 -8.685 20.264 1.00 0.00 C ATOM 1113 O ARG A 71 -5.100 -8.577 20.072 1.00 0.00 O ATOM 1114 CB ARG A 71 -3.992 -10.095 22.328 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.619 -11.393 23.025 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.689 -11.822 24.015 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.547 -13.223 24.403 1.00 0.00 N ATOM 1118 CZ ARG A 71 -4.823 -14.240 23.594 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -5.253 -14.014 22.361 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -4.668 -15.488 24.020 1.00 0.00 N ATOM 0 H ARG A 71 -1.581 -9.441 22.046 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.513 -10.789 20.351 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.725 -9.257 22.972 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.073 -10.062 22.194 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.474 -12.177 22.282 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.670 -11.268 23.546 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.634 -11.193 24.903 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.674 -11.666 23.574 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.218 -13.432 25.346 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.373 -13.057 22.030 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.464 -14.797 21.743 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.337 -15.666 24.968 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.880 -16.269 23.399 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.011 -7.764 19.883 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.429 -6.547 19.199 1.00 0.00 C ATOM 1136 C ALA A 72 -2.548 -6.268 17.986 1.00 0.00 C ATOM 1137 O ALA A 72 -3.032 -5.836 16.939 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.399 -5.366 20.158 1.00 0.00 C ATOM 0 H ALA A 72 -2.005 -7.837 20.036 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.451 -6.690 18.848 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.713 -4.464 19.634 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.076 -5.556 20.991 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.386 -5.231 20.537 1.00 0.00 H new ATOM 1144 N THR A 73 -1.250 -6.518 18.133 1.00 0.00 N ATOM 1145 CA THR A 73 -0.301 -6.292 17.050 1.00 0.00 C ATOM 1146 C THR A 73 0.473 -7.564 16.723 1.00 0.00 C ATOM 1147 O THR A 73 0.605 -8.456 17.562 1.00 0.00 O ATOM 1148 CB THR A 73 0.697 -5.173 17.402 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.383 -4.739 16.222 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.707 -5.654 18.433 1.00 0.00 C ATOM 0 H THR A 73 -0.832 -6.877 18.992 1.00 0.00 H new ATOM 0 HA THR A 73 -0.882 -5.989 16.179 1.00 0.00 H new ATOM 0 HB THR A 73 0.138 -4.338 17.825 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.741 -4.642 15.487 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.402 -4.847 18.666 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.185 -5.957 19.341 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.260 -6.504 18.032 1.00 0.00 H new ATOM 1158 N THR A 74 0.985 -7.642 15.499 1.00 0.00 N ATOM 1159 CA THR A 74 1.746 -8.805 15.061 1.00 0.00 C ATOM 1160 C THR A 74 3.012 -8.978 15.891 1.00 0.00 C ATOM 1161 O THR A 74 3.429 -8.064 16.604 1.00 0.00 O ATOM 1162 CB THR A 74 2.131 -8.697 13.573 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.838 -9.873 13.164 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.995 -7.469 13.326 1.00 0.00 C ATOM 0 H THR A 74 0.886 -6.913 14.793 1.00 0.00 H new ATOM 0 HA THR A 74 1.103 -9.674 15.200 1.00 0.00 H new ATOM 0 HB THR A 74 1.216 -8.602 12.989 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.078 -9.798 12.217 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.255 -7.413 12.269 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.444 -6.573 13.612 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.906 -7.540 13.920 1.00 0.00 H new ATOM 1172 N LEU A 75 3.621 -10.155 15.795 1.00 0.00 N ATOM 1173 CA LEU A 75 4.842 -10.447 16.537 1.00 0.00 C ATOM 1174 C LEU A 75 5.941 -9.446 16.195 1.00 0.00 C ATOM 1175 O LEU A 75 6.546 -8.846 17.083 1.00 0.00 O ATOM 1176 CB LEU A 75 5.319 -11.869 16.233 1.00 0.00 C ATOM 1177 CG LEU A 75 6.755 -12.197 16.642 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.925 -12.064 18.148 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.134 -13.597 16.183 1.00 0.00 C ATOM 0 H LEU A 75 3.289 -10.922 15.211 1.00 0.00 H new ATOM 0 HA LEU A 75 4.619 -10.364 17.601 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.651 -12.570 16.734 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.219 -12.043 15.162 1.00 0.00 H new ATOM 0 HG LEU A 75 7.422 -11.484 16.157 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.953 -12.301 18.420 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.696 -11.042 18.451 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.248 -12.753 18.653 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.159 -13.813 16.483 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.462 -14.324 16.639 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.053 -13.659 15.098 1.00 0.00 H new ATOM 1191 N TYR A 76 6.191 -9.269 14.903 1.00 0.00 N ATOM 1192 CA TYR A 76 7.217 -8.341 14.443 1.00 0.00 C ATOM 1193 C TYR A 76 7.064 -6.982 15.119 1.00 0.00 C ATOM 1194 O TYR A 76 8.016 -6.448 15.687 1.00 0.00 O ATOM 1195 CB TYR A 76 7.143 -8.178 12.924 1.00 0.00 C ATOM 1196 CG TYR A 76 8.222 -7.283 12.358 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.125 -5.900 12.453 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.337 -7.819 11.726 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.108 -5.077 11.937 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.326 -7.004 11.209 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.206 -5.634 11.316 1.00 0.00 C ATOM 1202 OH TYR A 76 11.188 -4.820 10.800 1.00 0.00 O ATOM 0 H TYR A 76 5.697 -9.756 14.155 1.00 0.00 H new ATOM 0 HA TYR A 76 8.190 -8.753 14.711 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.216 -9.160 12.458 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.168 -7.770 12.658 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.266 -5.461 12.939 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.433 -8.891 11.637 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.017 -4.004 12.020 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.188 -7.437 10.724 1.00 0.00 H new ATOM 0 HH TYR A 76 11.892 -5.371 10.398 1.00 0.00 H new ATOM 1212 N ASN A 77 5.858 -6.428 15.054 1.00 0.00 N ATOM 1213 CA ASN A 77 5.578 -5.131 15.660 1.00 0.00 C ATOM 1214 C ASN A 77 5.707 -5.201 17.179 1.00 0.00 C ATOM 1215 O ASN A 77 6.161 -4.253 17.819 1.00 0.00 O ATOM 1216 CB ASN A 77 4.174 -4.658 15.277 1.00 0.00 C ATOM 1217 CG ASN A 77 4.029 -4.427 13.785 1.00 0.00 C ATOM 1218 OD1 ASN A 77 5.020 -4.342 13.060 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.789 -4.324 13.321 1.00 0.00 N ATOM 0 H ASN A 77 5.059 -6.857 14.588 1.00 0.00 H new ATOM 0 HA ASN A 77 6.310 -4.416 15.284 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.443 -5.399 15.600 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.947 -3.734 15.809 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.628 -4.168 12.326 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.997 -4.401 13.960 1.00 0.00 H new ATOM 1226 N THR A 78 5.303 -6.332 17.750 1.00 0.00 N ATOM 1227 CA THR A 78 5.372 -6.526 19.193 1.00 0.00 C ATOM 1228 C THR A 78 6.799 -6.354 19.703 1.00 0.00 C ATOM 1229 O THR A 78 7.017 -5.830 20.794 1.00 0.00 O ATOM 1230 CB THR A 78 4.859 -7.921 19.597 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.491 -8.073 19.202 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.986 -8.130 21.098 1.00 0.00 C ATOM 0 H THR A 78 4.925 -7.127 17.235 1.00 0.00 H new ATOM 0 HA THR A 78 4.733 -5.767 19.645 1.00 0.00 H new ATOM 0 HB THR A 78 5.468 -8.669 19.090 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.451 -8.403 18.280 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.618 -9.122 21.360 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.032 -8.043 21.390 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.399 -7.375 21.621 1.00 0.00 H new ATOM 1240 N GLU A 79 7.765 -6.799 18.905 1.00 0.00 N ATOM 1241 CA GLU A 79 9.171 -6.693 19.278 1.00 0.00 C ATOM 1242 C GLU A 79 9.635 -5.240 19.246 1.00 0.00 C ATOM 1243 O GLU A 79 10.402 -4.801 20.103 1.00 0.00 O ATOM 1244 CB GLU A 79 10.035 -7.537 18.339 1.00 0.00 C ATOM 1245 CG GLU A 79 9.945 -9.030 18.606 1.00 0.00 C ATOM 1246 CD GLU A 79 11.288 -9.642 18.957 1.00 0.00 C ATOM 1247 OE1 GLU A 79 12.292 -9.278 18.309 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.335 -10.483 19.878 1.00 0.00 O ATOM 0 H GLU A 79 7.600 -7.235 17.998 1.00 0.00 H new ATOM 0 HA GLU A 79 9.280 -7.068 20.296 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.735 -7.342 17.309 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.074 -7.222 18.433 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.245 -9.208 19.422 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.542 -9.529 17.725 1.00 0.00 H new ATOM 1255 N VAL A 80 9.164 -4.497 18.249 1.00 0.00 N ATOM 1256 CA VAL A 80 9.530 -3.093 18.103 1.00 0.00 C ATOM 1257 C VAL A 80 9.001 -2.264 19.268 1.00 0.00 C ATOM 1258 O VAL A 80 9.768 -1.624 19.989 1.00 0.00 O ATOM 1259 CB VAL A 80 8.992 -2.506 16.785 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.267 -1.012 16.712 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.603 -3.228 15.593 1.00 0.00 C ATOM 0 H VAL A 80 8.528 -4.844 17.531 1.00 0.00 H new ATOM 0 HA VAL A 80 10.619 -3.050 18.093 1.00 0.00 H new ATOM 0 HB VAL A 80 7.912 -2.653 16.757 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.879 -0.616 15.773 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.778 -0.511 17.547 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.342 -0.837 16.763 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.212 -2.801 14.669 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.687 -3.114 15.615 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.348 -4.287 15.639 1.00 0.00 H new ATOM 1271 N LEU A 81 7.685 -2.279 19.449 1.00 0.00 N ATOM 1272 CA LEU A 81 7.051 -1.529 20.528 1.00 0.00 C ATOM 1273 C LEU A 81 7.713 -1.838 21.867 1.00 0.00 C ATOM 1274 O LEU A 81 8.177 -0.936 22.566 1.00 0.00 O ATOM 1275 CB LEU A 81 5.559 -1.857 20.596 1.00 0.00 C ATOM 1276 CG LEU A 81 4.740 -1.518 19.349 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.272 -1.848 19.569 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.910 -0.052 18.981 1.00 0.00 C ATOM 0 H LEU A 81 7.036 -2.803 18.862 1.00 0.00 H new ATOM 0 HA LEU A 81 7.173 -0.466 20.319 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.450 -2.922 20.799 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.129 -1.325 21.445 1.00 0.00 H new ATOM 0 HG LEU A 81 5.107 -2.124 18.521 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.705 -1.600 18.672 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.166 -2.912 19.783 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.891 -1.269 20.410 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.320 0.171 18.092 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.570 0.572 19.807 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.961 0.153 18.780 1.00 0.00 H new ATOM 1290 N LEU A 82 7.754 -3.119 22.219 1.00 0.00 N ATOM 1291 CA LEU A 82 8.361 -3.548 23.474 1.00 0.00 C ATOM 1292 C LEU A 82 9.786 -3.019 23.599 1.00 0.00 C ATOM 1293 O LEU A 82 10.169 -2.474 24.634 1.00 0.00 O ATOM 1294 CB LEU A 82 8.361 -5.075 23.567 1.00 0.00 C ATOM 1295 CG LEU A 82 7.152 -5.706 24.258 1.00 0.00 C ATOM 1296 CD1 LEU A 82 7.160 -5.385 25.745 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.860 -5.227 23.614 1.00 0.00 C ATOM 0 H LEU A 82 7.374 -3.878 21.653 1.00 0.00 H new ATOM 0 HA LEU A 82 7.769 -3.140 24.294 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.430 -5.480 22.557 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.261 -5.387 24.097 1.00 0.00 H new ATOM 0 HG LEU A 82 7.214 -6.788 24.140 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.292 -5.842 26.221 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.071 -5.778 26.197 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.123 -4.305 25.884 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.010 -5.686 24.119 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.791 -4.143 23.700 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.852 -5.508 22.561 1.00 0.00 H new ATOM 1309 N SER A 83 10.567 -3.182 22.536 1.00 0.00 N ATOM 1310 CA SER A 83 11.951 -2.722 22.526 1.00 0.00 C ATOM 1311 C SER A 83 12.025 -1.215 22.753 1.00 0.00 C ATOM 1312 O SER A 83 12.851 -0.732 23.528 1.00 0.00 O ATOM 1313 CB SER A 83 12.622 -3.083 21.199 1.00 0.00 C ATOM 1314 OG SER A 83 14.021 -2.868 21.260 1.00 0.00 O ATOM 0 H SER A 83 10.265 -3.629 21.670 1.00 0.00 H new ATOM 0 HA SER A 83 12.479 -3.221 23.339 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.422 -4.127 20.959 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.193 -2.483 20.396 1.00 0.00 H new ATOM 0 HG SER A 83 14.427 -3.107 20.401 1.00 0.00 H new ATOM 1320 N HIS A 84 11.154 -0.478 22.071 1.00 0.00 N ATOM 1321 CA HIS A 84 11.119 0.975 22.198 1.00 0.00 C ATOM 1322 C HIS A 84 10.720 1.388 23.612 1.00 0.00 C ATOM 1323 O HIS A 84 11.477 2.065 24.309 1.00 0.00 O ATOM 1324 CB HIS A 84 10.141 1.573 21.185 1.00 0.00 C ATOM 1325 CG HIS A 84 10.326 3.043 20.971 1.00 0.00 C ATOM 1326 ND1 HIS A 84 9.489 3.994 21.516 1.00 0.00 N ATOM 1327 CD2 HIS A 84 11.260 3.725 20.267 1.00 0.00 C ATOM 1328 CE1 HIS A 84 9.899 5.197 21.155 1.00 0.00 C ATOM 1329 NE2 HIS A 84 10.972 5.061 20.397 1.00 0.00 N ATOM 0 H HIS A 84 10.464 -0.862 21.426 1.00 0.00 H new ATOM 0 HA HIS A 84 12.120 1.357 21.996 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.258 1.058 20.232 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.122 1.389 21.524 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.079 3.298 19.707 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.436 6.132 21.432 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.501 5.825 19.976 1.00 0.00 H new ATOM 1337 N LEU A 85 9.528 0.976 24.029 1.00 0.00 N ATOM 1338 CA LEU A 85 9.028 1.304 25.360 1.00 0.00 C ATOM 1339 C LEU A 85 10.008 0.848 26.437 1.00 0.00 C ATOM 1340 O LEU A 85 10.137 1.484 27.482 1.00 0.00 O ATOM 1341 CB LEU A 85 7.663 0.653 25.588 1.00 0.00 C ATOM 1342 CG LEU A 85 6.578 1.557 26.176 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.514 1.860 25.134 1.00 0.00 C ATOM 1344 CD2 LEU A 85 5.955 0.911 27.405 1.00 0.00 C ATOM 0 H LEU A 85 8.890 0.414 23.465 1.00 0.00 H new ATOM 0 HA LEU A 85 8.923 2.387 25.425 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.305 0.262 24.635 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.796 -0.201 26.253 1.00 0.00 H new ATOM 0 HG LEU A 85 7.039 2.497 26.478 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.751 2.504 25.570 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.971 2.364 24.283 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.056 0.929 24.800 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.185 1.568 27.810 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.508 -0.044 27.127 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.725 0.746 28.159 1.00 0.00 H new ATOM 1356 N SER A 86 10.698 -0.257 26.172 1.00 0.00 N ATOM 1357 CA SER A 86 11.665 -0.799 27.119 1.00 0.00 C ATOM 1358 C SER A 86 12.657 0.274 27.557 1.00 0.00 C ATOM 1359 O SER A 86 12.927 0.437 28.747 1.00 0.00 O ATOM 1360 CB SER A 86 12.414 -1.979 26.497 1.00 0.00 C ATOM 1361 OG SER A 86 13.787 -1.954 26.849 1.00 0.00 O ATOM 0 H SER A 86 10.605 -0.794 25.310 1.00 0.00 H new ATOM 0 HA SER A 86 11.121 -1.146 27.997 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.967 -2.915 26.831 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.313 -1.947 25.412 1.00 0.00 H new ATOM 0 HG SER A 86 14.243 -2.719 26.441 1.00 0.00 H new ATOM 1367 N TYR A 87 13.196 1.003 26.587 1.00 0.00 N ATOM 1368 CA TYR A 87 14.160 2.059 26.870 1.00 0.00 C ATOM 1369 C TYR A 87 13.498 3.217 27.611 1.00 0.00 C ATOM 1370 O TYR A 87 13.956 3.631 28.677 1.00 0.00 O ATOM 1371 CB TYR A 87 14.791 2.565 25.572 1.00 0.00 C ATOM 1372 CG TYR A 87 15.662 3.787 25.757 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.879 3.703 26.423 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.269 5.026 25.265 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.677 4.817 26.596 1.00 0.00 C ATOM 1376 CE2 TYR A 87 16.062 6.145 25.432 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.265 6.035 26.098 1.00 0.00 C ATOM 1378 OH TYR A 87 18.058 7.147 26.266 1.00 0.00 O ATOM 0 H TYR A 87 12.982 0.882 25.597 1.00 0.00 H new ATOM 0 HA TYR A 87 14.940 1.642 27.507 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.389 1.766 25.133 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.999 2.798 24.860 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.206 2.750 26.812 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.328 5.116 24.743 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.619 4.735 27.119 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.742 7.100 25.043 1.00 0.00 H new ATOM 0 HH TYR A 87 17.624 7.924 25.856 1.00 0.00 H new ATOM 1388 N LEU A 88 12.416 3.735 27.040 1.00 0.00 N ATOM 1389 CA LEU A 88 11.689 4.845 27.646 1.00 0.00 C ATOM 1390 C LEU A 88 11.275 4.510 29.075 1.00 0.00 C ATOM 1391 O LEU A 88 11.094 5.401 29.905 1.00 0.00 O ATOM 1392 CB LEU A 88 10.452 5.185 26.812 1.00 0.00 C ATOM 1393 CG LEU A 88 10.705 5.977 25.529 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.361 5.096 24.477 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.405 6.565 25.000 1.00 0.00 C ATOM 0 H LEU A 88 12.023 3.404 26.159 1.00 0.00 H new ATOM 0 HA LEU A 88 12.352 5.710 27.673 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.950 4.254 26.548 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.763 5.753 27.436 1.00 0.00 H new ATOM 0 HG LEU A 88 11.384 6.798 25.760 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.533 5.678 23.571 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.313 4.724 24.856 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.708 4.254 24.249 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.604 7.125 24.087 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.702 5.760 24.786 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.976 7.232 25.748 1.00 0.00 H new