USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=19 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 50:sc= -3.37! USER MOD Set 1.2: A 77 ASN : amide:sc= -5.1! C(o=-8.5!,f=-11!) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -110:sc= 0.12 (180deg=-0.789) USER MOD Set 2.2: A 62 CYS SG : rot -35:sc= -0.965! USER MOD Set 3.1: A 56 MET CE :methyl -161:sc= -2.26 (180deg=-4.07!) USER MOD Set 3.2: A 64 MET CE :methyl -142:sc= -2.04 (180deg=-6.26!) USER MOD Set 4.1: A 43 TYR OH : rot -127:sc= 0.73 USER MOD Set 4.2: A 84 HIS :FLIP no HD1:sc= -0.221 F(o=-1.5,f=0.51) USER MOD Single : A 25 THR OG1 : rot -97:sc= 0.112 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.206 USER MOD Single : A 29 GLN : amide:sc= -0.134 K(o=-0.13,f=-3.6!) USER MOD Single : A 31 HIS : no HD1:sc= -4.06! C(o=-4.1!,f=-4!) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.91) 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 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 55 ASN : amide:sc= -0.562 K(o=-0.56,f=-2.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.165 K(o=-0.16,f=-0.95) USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.255) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 86:sc= 0.76 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -91:sc= 0.405 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 5.425 13.877 23.120 1.00 0.00 N ATOM 266 CA VAL A 20 5.174 13.063 24.304 1.00 0.00 C ATOM 267 C VAL A 20 6.356 13.113 25.265 1.00 0.00 C ATOM 268 O VAL A 20 7.497 13.361 24.874 1.00 0.00 O ATOM 269 CB VAL A 20 4.894 11.597 23.927 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.502 11.456 23.328 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.952 11.083 22.963 1.00 0.00 C ATOM 0 HA VAL A 20 4.294 13.479 24.794 1.00 0.00 H new ATOM 0 HB VAL A 20 4.937 10.993 24.833 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.322 10.413 23.068 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.758 11.782 24.055 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.428 12.072 22.432 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.738 10.045 22.707 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.944 11.689 22.057 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.934 11.146 23.433 1.00 0.00 H new ATOM 281 N PRO A 21 6.080 12.869 26.555 1.00 0.00 N ATOM 282 CA PRO A 21 7.108 12.879 27.600 1.00 0.00 C ATOM 283 C PRO A 21 8.067 11.699 27.481 1.00 0.00 C ATOM 284 O PRO A 21 7.855 10.794 26.675 1.00 0.00 O ATOM 285 CB PRO A 21 6.298 12.782 28.895 1.00 0.00 C ATOM 286 CG PRO A 21 5.027 12.113 28.498 1.00 0.00 C ATOM 287 CD PRO A 21 4.743 12.566 27.093 1.00 0.00 C ATOM 0 HA PRO A 21 7.740 13.765 27.542 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.829 12.205 29.652 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.110 13.768 29.319 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.125 11.028 28.546 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.214 12.390 29.169 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.243 11.789 26.514 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.095 13.442 27.077 1.00 0.00 H new ATOM 295 N ALA A 22 9.121 11.715 28.291 1.00 0.00 N ATOM 296 CA ALA A 22 10.110 10.644 28.277 1.00 0.00 C ATOM 297 C ALA A 22 9.475 9.305 28.636 1.00 0.00 C ATOM 298 O ALA A 22 9.230 8.471 27.764 1.00 0.00 O ATOM 299 CB ALA A 22 11.247 10.965 29.237 1.00 0.00 C ATOM 0 H ALA A 22 9.312 12.457 28.964 1.00 0.00 H new ATOM 0 HA ALA A 22 10.511 10.566 27.267 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.979 10.157 29.217 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.726 11.896 28.935 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.851 11.071 30.247 1.00 0.00 H new ATOM 305 N ASP A 23 9.211 9.106 29.922 1.00 0.00 N ATOM 306 CA ASP A 23 8.604 7.868 30.396 1.00 0.00 C ATOM 307 C ASP A 23 7.212 7.682 29.799 1.00 0.00 C ATOM 308 O ASP A 23 6.433 8.627 29.671 1.00 0.00 O ATOM 309 CB ASP A 23 8.521 7.867 31.923 1.00 0.00 C ATOM 310 CG ASP A 23 9.166 6.639 32.537 1.00 0.00 C ATOM 311 OD1 ASP A 23 10.315 6.323 32.164 1.00 0.00 O ATOM 312 OD2 ASP A 23 8.521 5.995 33.390 1.00 0.00 O ATOM 0 H ASP A 23 9.408 9.787 30.656 1.00 0.00 H new ATOM 0 HA ASP A 23 9.233 7.038 30.074 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.008 8.762 32.311 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.475 7.915 32.227 1.00 0.00 H new ATOM 317 N PRO A 24 6.891 6.435 29.423 1.00 0.00 N ATOM 318 CA PRO A 24 5.593 6.097 28.832 1.00 0.00 C ATOM 319 C PRO A 24 4.454 6.190 29.842 1.00 0.00 C ATOM 320 O PRO A 24 3.312 6.477 29.482 1.00 0.00 O ATOM 321 CB PRO A 24 5.780 4.649 28.370 1.00 0.00 C ATOM 322 CG PRO A 24 6.853 4.106 29.250 1.00 0.00 C ATOM 323 CD PRO A 24 7.770 5.261 29.545 1.00 0.00 C ATOM 0 HA PRO A 24 5.319 6.783 28.031 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.857 4.078 28.473 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.068 4.603 27.320 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.434 3.696 30.169 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.391 3.297 28.756 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.203 5.185 30.542 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.600 5.305 28.840 1.00 0.00 H new ATOM 331 N THR A 25 4.773 5.947 31.110 1.00 0.00 N ATOM 332 CA THR A 25 3.777 6.003 32.172 1.00 0.00 C ATOM 333 C THR A 25 3.139 7.385 32.256 1.00 0.00 C ATOM 334 O THR A 25 2.057 7.548 32.822 1.00 0.00 O ATOM 335 CB THR A 25 4.393 5.650 33.540 1.00 0.00 C ATOM 336 OG1 THR A 25 5.462 6.553 33.842 1.00 0.00 O ATOM 337 CG2 THR A 25 4.912 4.220 33.546 1.00 0.00 C ATOM 0 H THR A 25 5.713 5.710 31.426 1.00 0.00 H new ATOM 0 HA THR A 25 3.012 5.267 31.926 1.00 0.00 H new ATOM 0 HB THR A 25 3.616 5.741 34.299 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.317 6.143 33.593 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.342 3.993 34.521 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.090 3.534 33.344 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.676 4.107 32.777 1.00 0.00 H new ATOM 345 N LEU A 26 3.816 8.378 31.690 1.00 0.00 N ATOM 346 CA LEU A 26 3.315 9.748 31.700 1.00 0.00 C ATOM 347 C LEU A 26 2.426 10.012 30.489 1.00 0.00 C ATOM 348 O LEU A 26 2.010 11.145 30.247 1.00 0.00 O ATOM 349 CB LEU A 26 4.480 10.739 31.717 1.00 0.00 C ATOM 350 CG LEU A 26 5.528 10.524 32.811 1.00 0.00 C ATOM 351 CD1 LEU A 26 6.650 11.542 32.683 1.00 0.00 C ATOM 352 CD2 LEU A 26 4.885 10.605 34.188 1.00 0.00 C ATOM 0 H LEU A 26 4.713 8.260 31.219 1.00 0.00 H new ATOM 0 HA LEU A 26 2.718 9.883 32.602 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.980 10.698 30.749 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.074 11.745 31.823 1.00 0.00 H new ATOM 0 HG LEU A 26 5.954 9.528 32.689 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.386 11.373 33.469 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.129 11.436 31.709 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.241 12.548 32.778 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.645 10.450 34.954 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.431 11.587 34.321 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.118 9.836 34.277 1.00 0.00 H new ATOM 364 N TRP A 27 2.139 8.959 29.732 1.00 0.00 N ATOM 365 CA TRP A 27 1.297 9.077 28.547 1.00 0.00 C ATOM 366 C TRP A 27 -0.178 8.969 28.914 1.00 0.00 C ATOM 367 O TRP A 27 -0.598 8.014 29.568 1.00 0.00 O ATOM 368 CB TRP A 27 1.663 7.997 27.528 1.00 0.00 C ATOM 369 CG TRP A 27 3.021 8.186 26.922 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.841 9.268 27.071 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.715 7.268 26.071 1.00 0.00 C ATOM 372 NE1 TRP A 27 5.003 9.078 26.363 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.951 7.858 25.742 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.414 6.004 25.557 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.882 7.227 24.921 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.339 5.379 24.742 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.561 5.990 24.431 1.00 0.00 C ATOM 0 H TRP A 27 2.477 8.015 29.917 1.00 0.00 H new ATOM 0 HA TRP A 27 1.470 10.058 28.104 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.622 7.022 28.013 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.917 7.990 26.734 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.610 10.144 27.659 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.779 9.738 26.309 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.476 5.524 25.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.824 7.697 24.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.116 4.403 24.338 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.263 5.475 23.792 1.00 0.00 H new ATOM 388 N THR A 28 -0.964 9.954 28.488 1.00 0.00 N ATOM 389 CA THR A 28 -2.393 9.969 28.773 1.00 0.00 C ATOM 390 C THR A 28 -3.148 9.020 27.849 1.00 0.00 C ATOM 391 O THR A 28 -2.543 8.308 27.048 1.00 0.00 O ATOM 392 CB THR A 28 -2.980 11.386 28.626 1.00 0.00 C ATOM 393 OG1 THR A 28 -3.113 11.719 27.240 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.095 12.412 29.317 1.00 0.00 C ATOM 0 H THR A 28 -0.634 10.751 27.944 1.00 0.00 H new ATOM 0 HA THR A 28 -2.513 9.639 29.805 1.00 0.00 H new ATOM 0 HB THR A 28 -3.962 11.400 29.098 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.488 12.620 27.155 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.529 13.405 29.200 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.019 12.172 30.377 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.101 12.396 28.869 1.00 0.00 H new ATOM 402 N GLN A 29 -4.472 9.016 27.967 1.00 0.00 N ATOM 403 CA GLN A 29 -5.309 8.153 27.141 1.00 0.00 C ATOM 404 C GLN A 29 -5.165 8.507 25.664 1.00 0.00 C ATOM 405 O GLN A 29 -5.526 7.720 24.790 1.00 0.00 O ATOM 406 CB GLN A 29 -6.774 8.271 27.565 1.00 0.00 C ATOM 407 CG GLN A 29 -7.436 6.931 27.842 1.00 0.00 C ATOM 408 CD GLN A 29 -8.920 7.060 28.124 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.750 6.483 27.421 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.262 7.821 29.157 1.00 0.00 N ATOM 0 H GLN A 29 -4.988 9.600 28.626 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.978 7.124 27.283 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.836 8.890 28.460 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.330 8.787 26.782 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.289 6.273 26.985 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.948 6.458 28.694 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.541 8.281 29.713 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.246 7.946 29.395 1.00 0.00 H new ATOM 419 N GLU A 30 -4.636 9.697 25.395 1.00 0.00 N ATOM 420 CA GLU A 30 -4.446 10.154 24.023 1.00 0.00 C ATOM 421 C GLU A 30 -3.025 9.869 23.546 1.00 0.00 C ATOM 422 O GLU A 30 -2.816 9.393 22.430 1.00 0.00 O ATOM 423 CB GLU A 30 -4.741 11.652 23.916 1.00 0.00 C ATOM 424 CG GLU A 30 -4.705 12.179 22.492 1.00 0.00 C ATOM 425 CD GLU A 30 -6.054 12.092 21.803 1.00 0.00 C ATOM 426 OE1 GLU A 30 -6.552 10.963 21.614 1.00 0.00 O ATOM 427 OE2 GLU A 30 -6.610 13.154 21.454 1.00 0.00 O ATOM 0 H GLU A 30 -4.332 10.361 26.107 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.141 9.607 23.385 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.724 11.852 24.344 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.015 12.201 24.516 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.372 13.217 22.501 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.971 11.614 21.918 1.00 0.00 H new ATOM 434 N HIS A 31 -2.050 10.165 24.400 1.00 0.00 N ATOM 435 CA HIS A 31 -0.648 9.941 24.067 1.00 0.00 C ATOM 436 C HIS A 31 -0.427 8.513 23.580 1.00 0.00 C ATOM 437 O HIS A 31 0.147 8.291 22.514 1.00 0.00 O ATOM 438 CB HIS A 31 0.238 10.222 25.281 1.00 0.00 C ATOM 439 CG HIS A 31 0.621 11.663 25.423 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.903 12.250 26.639 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.769 12.635 24.494 1.00 0.00 C ATOM 442 CE1 HIS A 31 1.206 13.522 26.451 1.00 0.00 C ATOM 443 NE2 HIS A 31 1.133 13.781 25.157 1.00 0.00 N ATOM 0 H HIS A 31 -2.205 10.560 25.327 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.377 10.626 23.263 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.284 9.903 26.183 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.143 9.620 25.207 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.627 12.529 23.429 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.469 14.230 27.223 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.317 14.685 24.722 1.00 0.00 H new ATOM 451 N VAL A 32 -0.885 7.546 24.369 1.00 0.00 N ATOM 452 CA VAL A 32 -0.737 6.138 24.019 1.00 0.00 C ATOM 453 C VAL A 32 -1.217 5.873 22.596 1.00 0.00 C ATOM 454 O VAL A 32 -0.701 4.990 21.911 1.00 0.00 O ATOM 455 CB VAL A 32 -1.519 5.233 24.989 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.441 3.781 24.545 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.994 5.395 26.408 1.00 0.00 C ATOM 0 H VAL A 32 -1.362 7.712 25.255 1.00 0.00 H new ATOM 0 HA VAL A 32 0.325 5.904 24.092 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.566 5.535 24.977 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.999 3.157 25.243 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.869 3.682 23.547 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.399 3.462 24.526 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.558 4.748 27.081 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.060 5.120 26.439 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.108 6.433 26.722 1.00 0.00 H new ATOM 467 N ARG A 33 -2.206 6.645 22.157 1.00 0.00 N ATOM 468 CA ARG A 33 -2.756 6.493 20.816 1.00 0.00 C ATOM 469 C ARG A 33 -1.854 7.158 19.780 1.00 0.00 C ATOM 470 O ARG A 33 -1.591 6.592 18.719 1.00 0.00 O ATOM 471 CB ARG A 33 -4.161 7.095 20.746 1.00 0.00 C ATOM 472 CG ARG A 33 -5.114 6.540 21.793 1.00 0.00 C ATOM 473 CD ARG A 33 -6.551 6.948 21.509 1.00 0.00 C ATOM 474 NE ARG A 33 -7.068 7.867 22.520 1.00 0.00 N ATOM 475 CZ ARG A 33 -8.280 8.408 22.470 1.00 0.00 C ATOM 476 NH1 ARG A 33 -9.096 8.123 21.464 1.00 0.00 N ATOM 477 NH2 ARG A 33 -8.679 9.235 23.428 1.00 0.00 N ATOM 0 H ARG A 33 -2.642 7.382 22.711 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.813 5.428 20.593 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.091 8.176 20.868 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.577 6.912 19.755 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.041 5.453 21.814 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.821 6.898 22.780 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.607 7.419 20.528 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.180 6.059 21.472 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.465 8.106 23.307 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.793 7.487 20.726 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.026 8.540 21.428 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.055 9.456 24.204 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.610 9.650 23.389 1.00 0.00 H new ATOM 491 N GLN A 34 -1.385 8.360 20.096 1.00 0.00 N ATOM 492 CA GLN A 34 -0.514 9.102 19.192 1.00 0.00 C ATOM 493 C GLN A 34 0.797 8.357 18.966 1.00 0.00 C ATOM 494 O GLN A 34 1.200 8.122 17.827 1.00 0.00 O ATOM 495 CB GLN A 34 -0.232 10.497 19.752 1.00 0.00 C ATOM 496 CG GLN A 34 -1.151 11.573 19.197 1.00 0.00 C ATOM 497 CD GLN A 34 -0.844 12.948 19.757 1.00 0.00 C ATOM 498 OE1 GLN A 34 -0.124 13.082 20.747 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.390 13.981 19.124 1.00 0.00 N ATOM 0 H GLN A 34 -1.593 8.841 20.971 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.025 9.200 18.234 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.331 10.471 20.837 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.802 10.765 19.533 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.060 11.598 18.111 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.185 11.315 19.424 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.980 13.824 18.307 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.219 14.930 19.455 1.00 0.00 H new ATOM 508 N TRP A 35 1.457 7.988 20.058 1.00 0.00 N ATOM 509 CA TRP A 35 2.724 7.269 19.978 1.00 0.00 C ATOM 510 C TRP A 35 2.581 6.006 19.136 1.00 0.00 C ATOM 511 O TRP A 35 3.503 5.621 18.415 1.00 0.00 O ATOM 512 CB TRP A 35 3.219 6.910 21.380 1.00 0.00 C ATOM 513 CG TRP A 35 4.357 5.934 21.376 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.667 6.203 21.099 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.285 4.533 21.661 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.413 5.054 21.194 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.589 4.015 21.538 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.246 3.665 22.009 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.879 2.670 21.751 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.536 2.331 22.219 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.843 1.843 22.091 1.00 0.00 C ATOM 0 H TRP A 35 1.137 8.174 21.008 1.00 0.00 H new ATOM 0 HA TRP A 35 3.454 7.921 19.499 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.532 7.820 21.891 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.392 6.491 21.953 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.059 7.176 20.843 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.418 4.985 21.034 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.235 4.031 22.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.886 2.293 21.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.740 1.651 22.487 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.037 0.795 22.264 1.00 0.00 H new ATOM 532 N LEU A 36 1.422 5.364 19.232 1.00 0.00 N ATOM 533 CA LEU A 36 1.159 4.143 18.479 1.00 0.00 C ATOM 534 C LEU A 36 1.178 4.415 16.978 1.00 0.00 C ATOM 535 O LEU A 36 1.987 3.846 16.245 1.00 0.00 O ATOM 536 CB LEU A 36 -0.192 3.552 18.884 1.00 0.00 C ATOM 537 CG LEU A 36 -0.270 2.025 18.932 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.584 1.483 20.067 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.713 1.569 19.083 1.00 0.00 C ATOM 0 H LEU A 36 0.649 5.669 19.824 1.00 0.00 H new ATOM 0 HA LEU A 36 1.947 3.426 18.710 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.456 3.940 19.868 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.948 3.913 18.186 1.00 0.00 H new ATOM 0 HG LEU A 36 0.118 1.631 17.993 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.516 0.395 20.086 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.622 1.779 19.915 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.227 1.885 21.015 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.749 0.480 19.115 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.128 1.973 20.006 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.298 1.926 18.236 1.00 0.00 H new ATOM 551 N GLU A 37 0.284 5.290 16.528 1.00 0.00 N ATOM 552 CA GLU A 37 0.200 5.637 15.115 1.00 0.00 C ATOM 553 C GLU A 37 1.548 6.128 14.594 1.00 0.00 C ATOM 554 O GLU A 37 1.843 6.018 13.404 1.00 0.00 O ATOM 555 CB GLU A 37 -0.867 6.712 14.893 1.00 0.00 C ATOM 556 CG GLU A 37 -2.220 6.358 15.487 1.00 0.00 C ATOM 557 CD GLU A 37 -3.363 6.607 14.523 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.471 5.862 13.526 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.149 7.547 14.764 1.00 0.00 O ATOM 0 H GLU A 37 -0.392 5.771 17.122 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.079 4.739 14.563 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.522 7.650 15.329 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.983 6.882 13.823 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.220 5.309 15.781 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.379 6.943 16.393 1.00 0.00 H new ATOM 566 N TRP A 38 2.361 6.670 15.494 1.00 0.00 N ATOM 567 CA TRP A 38 3.677 7.178 15.126 1.00 0.00 C ATOM 568 C TRP A 38 4.623 6.036 14.772 1.00 0.00 C ATOM 569 O TRP A 38 5.096 5.938 13.640 1.00 0.00 O ATOM 570 CB TRP A 38 4.265 8.006 16.270 1.00 0.00 C ATOM 571 CG TRP A 38 5.715 8.334 16.083 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.258 9.124 15.110 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.808 7.877 16.888 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.622 9.186 15.262 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.984 8.431 16.346 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.906 7.057 18.015 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.241 8.188 16.893 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.155 6.817 18.556 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.308 7.381 17.996 1.00 0.00 C ATOM 0 H TRP A 38 2.132 6.769 16.483 1.00 0.00 H new ATOM 0 HA TRP A 38 3.560 7.814 14.248 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.700 8.933 16.365 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.141 7.460 17.205 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.698 9.626 14.335 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.262 9.710 14.664 1.00 0.00 H new ATOM 0 HE3 TRP A 38 6.022 6.619 18.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.132 8.621 16.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.243 6.183 19.426 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.269 7.175 18.444 1.00 0.00 H new ATOM 590 N ALA A 39 4.893 5.173 15.746 1.00 0.00 N ATOM 591 CA ALA A 39 5.780 4.036 15.535 1.00 0.00 C ATOM 592 C ALA A 39 5.366 3.238 14.303 1.00 0.00 C ATOM 593 O ALA A 39 6.203 2.628 13.637 1.00 0.00 O ATOM 594 CB ALA A 39 5.793 3.141 16.766 1.00 0.00 C ATOM 0 H ALA A 39 4.510 5.240 16.689 1.00 0.00 H new ATOM 0 HA ALA A 39 6.787 4.418 15.367 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.460 2.296 16.594 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.144 3.711 17.626 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.785 2.774 16.960 1.00 0.00 H new ATOM 600 N ILE A 40 4.071 3.246 14.006 1.00 0.00 N ATOM 601 CA ILE A 40 3.547 2.522 12.854 1.00 0.00 C ATOM 602 C ILE A 40 3.974 3.185 11.549 1.00 0.00 C ATOM 603 O ILE A 40 4.492 2.527 10.646 1.00 0.00 O ATOM 604 CB ILE A 40 2.010 2.437 12.894 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.551 1.715 14.163 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.487 1.726 11.655 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.164 2.114 14.616 1.00 0.00 C ATOM 0 H ILE A 40 3.365 3.746 14.547 1.00 0.00 H new ATOM 0 HA ILE A 40 3.960 1.514 12.900 1.00 0.00 H new ATOM 0 HB ILE A 40 1.604 3.449 12.907 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.572 0.639 13.987 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.260 1.921 14.965 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.399 1.674 11.698 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.789 2.277 10.764 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.898 0.717 11.614 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.096 1.563 15.520 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.143 3.184 14.824 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.556 1.883 13.831 1.00 0.00 H new ATOM 619 N LYS A 41 3.756 4.492 11.456 1.00 0.00 N ATOM 620 CA LYS A 41 4.121 5.247 10.263 1.00 0.00 C ATOM 621 C LYS A 41 5.619 5.528 10.234 1.00 0.00 C ATOM 622 O LYS A 41 6.139 6.069 9.258 1.00 0.00 O ATOM 623 CB LYS A 41 3.343 6.563 10.209 1.00 0.00 C ATOM 624 CG LYS A 41 3.691 7.522 11.335 1.00 0.00 C ATOM 625 CD LYS A 41 2.781 8.738 11.333 1.00 0.00 C ATOM 626 CE LYS A 41 3.577 10.030 11.232 1.00 0.00 C ATOM 627 NZ LYS A 41 4.190 10.200 9.886 1.00 0.00 N ATOM 0 H LYS A 41 3.328 5.051 12.194 1.00 0.00 H new ATOM 0 HA LYS A 41 3.865 4.645 9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.537 7.051 9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.275 6.346 10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.609 7.006 12.292 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.728 7.842 11.234 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.085 8.672 10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.183 8.748 12.245 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.924 10.877 11.443 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.360 10.035 11.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.724 11.092 9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.833 9.405 9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.442 10.221 9.164 1.00 0.00 H new ATOM 641 N GLU A 42 6.308 5.156 11.309 1.00 0.00 N ATOM 642 CA GLU A 42 7.747 5.368 11.404 1.00 0.00 C ATOM 643 C GLU A 42 8.510 4.091 11.064 1.00 0.00 C ATOM 644 O GLU A 42 9.399 4.094 10.213 1.00 0.00 O ATOM 645 CB GLU A 42 8.123 5.841 12.810 1.00 0.00 C ATOM 646 CG GLU A 42 9.595 6.188 12.963 1.00 0.00 C ATOM 647 CD GLU A 42 9.907 7.609 12.536 1.00 0.00 C ATOM 648 OE1 GLU A 42 8.953 8.390 12.336 1.00 0.00 O ATOM 649 OE2 GLU A 42 11.103 7.939 12.401 1.00 0.00 O ATOM 0 H GLU A 42 5.893 4.707 12.125 1.00 0.00 H new ATOM 0 HA GLU A 42 8.023 6.137 10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.524 6.716 13.062 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.866 5.062 13.527 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.890 6.052 14.003 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.191 5.495 12.369 1.00 0.00 H new ATOM 656 N TYR A 43 8.155 3.001 11.737 1.00 0.00 N ATOM 657 CA TYR A 43 8.807 1.717 11.509 1.00 0.00 C ATOM 658 C TYR A 43 8.064 0.909 10.450 1.00 0.00 C ATOM 659 O TYR A 43 8.301 -0.288 10.287 1.00 0.00 O ATOM 660 CB TYR A 43 8.884 0.922 12.814 1.00 0.00 C ATOM 661 CG TYR A 43 9.400 1.727 13.984 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.680 2.269 13.969 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.610 1.946 15.106 1.00 0.00 C ATOM 664 CE1 TYR A 43 11.157 3.004 15.037 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.078 2.681 16.177 1.00 0.00 C ATOM 666 CZ TYR A 43 10.352 3.208 16.138 1.00 0.00 C ATOM 667 OH TYR A 43 10.823 3.941 17.204 1.00 0.00 O ATOM 0 H TYR A 43 7.420 2.982 12.444 1.00 0.00 H new ATOM 0 HA TYR A 43 9.818 1.910 11.149 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.892 0.540 13.056 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.531 0.057 12.665 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.312 2.113 13.108 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.612 1.534 15.141 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.155 3.417 15.010 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.450 2.842 17.041 1.00 0.00 H new ATOM 0 HH TYR A 43 10.710 3.427 18.030 1.00 0.00 H new ATOM 677 N SER A 44 7.163 1.573 9.733 1.00 0.00 N ATOM 678 CA SER A 44 6.381 0.917 8.691 1.00 0.00 C ATOM 679 C SER A 44 5.718 -0.349 9.226 1.00 0.00 C ATOM 680 O SER A 44 5.969 -1.450 8.733 1.00 0.00 O ATOM 681 CB SER A 44 7.272 0.574 7.495 1.00 0.00 C ATOM 682 OG SER A 44 7.727 1.748 6.846 1.00 0.00 O ATOM 0 H SER A 44 6.956 2.564 9.854 1.00 0.00 H new ATOM 0 HA SER A 44 5.601 1.606 8.368 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.126 -0.014 7.830 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.717 -0.044 6.789 1.00 0.00 H new ATOM 0 HG SER A 44 8.296 1.502 6.086 1.00 0.00 H new ATOM 688 N LEU A 45 4.872 -0.185 10.236 1.00 0.00 N ATOM 689 CA LEU A 45 4.171 -1.313 10.838 1.00 0.00 C ATOM 690 C LEU A 45 2.797 -1.503 10.204 1.00 0.00 C ATOM 691 O LEU A 45 2.169 -0.542 9.762 1.00 0.00 O ATOM 692 CB LEU A 45 4.024 -1.102 12.346 1.00 0.00 C ATOM 693 CG LEU A 45 5.294 -0.691 13.093 1.00 0.00 C ATOM 694 CD1 LEU A 45 5.040 -0.643 14.592 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.433 -1.648 12.774 1.00 0.00 C ATOM 0 H LEU A 45 4.655 0.719 10.656 1.00 0.00 H new ATOM 0 HA LEU A 45 4.761 -2.212 10.658 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.265 -0.338 12.514 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.650 -2.026 12.787 1.00 0.00 H new ATOM 0 HG LEU A 45 5.581 0.307 12.762 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.955 -0.349 15.107 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.255 0.082 14.805 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.729 -1.628 14.940 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.329 -1.341 13.314 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.155 -2.658 13.077 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.632 -1.632 11.702 1.00 0.00 H new ATOM 707 N MET A 46 2.336 -2.749 10.165 1.00 0.00 N ATOM 708 CA MET A 46 1.034 -3.064 9.588 1.00 0.00 C ATOM 709 C MET A 46 0.355 -4.190 10.361 1.00 0.00 C ATOM 710 O MET A 46 0.988 -4.871 11.167 1.00 0.00 O ATOM 711 CB MET A 46 1.187 -3.459 8.117 1.00 0.00 C ATOM 712 CG MET A 46 1.857 -2.391 7.268 1.00 0.00 C ATOM 713 SD MET A 46 1.275 -2.394 5.562 1.00 0.00 S ATOM 714 CE MET A 46 2.454 -1.281 4.800 1.00 0.00 C ATOM 0 H MET A 46 2.844 -3.556 10.526 1.00 0.00 H new ATOM 0 HA MET A 46 0.409 -2.173 9.655 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.769 -4.379 8.055 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.202 -3.676 7.703 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.671 -1.412 7.709 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.936 -2.547 7.280 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.225 -1.180 3.739 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.394 -0.304 5.279 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.461 -1.682 4.918 1.00 0.00 H new ATOM 724 N GLU A 47 -0.936 -4.380 10.109 1.00 0.00 N ATOM 725 CA GLU A 47 -1.700 -5.423 10.783 1.00 0.00 C ATOM 726 C GLU A 47 -1.759 -5.169 12.286 1.00 0.00 C ATOM 727 O GLU A 47 -1.886 -6.103 13.079 1.00 0.00 O ATOM 728 CB GLU A 47 -1.081 -6.796 10.510 1.00 0.00 C ATOM 729 CG GLU A 47 -0.778 -7.047 9.043 1.00 0.00 C ATOM 730 CD GLU A 47 -1.428 -8.313 8.521 1.00 0.00 C ATOM 731 OE1 GLU A 47 -0.935 -9.412 8.852 1.00 0.00 O ATOM 732 OE2 GLU A 47 -2.429 -8.206 7.782 1.00 0.00 O ATOM 0 H GLU A 47 -1.475 -3.826 9.443 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.716 -5.406 10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.159 -6.890 11.084 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.760 -7.569 10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.123 -6.197 8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.301 -7.114 8.905 1.00 0.00 H new ATOM 739 N ILE A 48 -1.666 -3.901 12.670 1.00 0.00 N ATOM 740 CA ILE A 48 -1.709 -3.524 14.077 1.00 0.00 C ATOM 741 C ILE A 48 -3.094 -3.019 14.469 1.00 0.00 C ATOM 742 O ILE A 48 -3.714 -2.247 13.738 1.00 0.00 O ATOM 743 CB ILE A 48 -0.668 -2.435 14.401 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.555 -2.240 15.914 1.00 0.00 C ATOM 745 CG2 ILE A 48 -1.041 -1.127 13.719 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.845 -1.905 16.377 1.00 0.00 C ATOM 0 H ILE A 48 -1.560 -3.117 12.026 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.475 -4.421 14.651 1.00 0.00 H new ATOM 0 HB ILE A 48 0.302 -2.756 14.022 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.231 -1.442 16.221 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.887 -3.149 16.415 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.297 -0.367 13.957 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.075 -1.276 12.640 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.019 -0.799 14.071 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.850 -1.781 17.460 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.523 -2.713 16.101 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.173 -0.979 15.904 1.00 0.00 H new ATOM 758 N ASP A 49 -3.572 -3.460 15.628 1.00 0.00 N ATOM 759 CA ASP A 49 -4.882 -3.051 16.119 1.00 0.00 C ATOM 760 C ASP A 49 -4.760 -1.864 17.069 1.00 0.00 C ATOM 761 O ASP A 49 -4.545 -2.034 18.270 1.00 0.00 O ATOM 762 CB ASP A 49 -5.572 -4.218 16.827 1.00 0.00 C ATOM 763 CG ASP A 49 -7.076 -4.046 16.898 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.611 -3.193 16.158 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.719 -4.764 17.691 1.00 0.00 O ATOM 0 H ASP A 49 -3.072 -4.100 16.244 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.485 -2.748 15.263 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.340 -5.145 16.303 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.172 -4.314 17.837 1.00 0.00 H new ATOM 770 N THR A 50 -4.898 -0.659 16.523 1.00 0.00 N ATOM 771 CA THR A 50 -4.802 0.557 17.321 1.00 0.00 C ATOM 772 C THR A 50 -5.966 0.668 18.298 1.00 0.00 C ATOM 773 O THR A 50 -5.834 1.252 19.373 1.00 0.00 O ATOM 774 CB THR A 50 -4.773 1.813 16.429 1.00 0.00 C ATOM 775 OG1 THR A 50 -5.996 1.919 15.693 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.597 1.765 15.465 1.00 0.00 C ATOM 0 H THR A 50 -5.077 -0.500 15.531 1.00 0.00 H new ATOM 0 HA THR A 50 -3.868 0.495 17.880 1.00 0.00 H new ATOM 0 HB THR A 50 -4.660 2.686 17.072 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.970 2.721 15.130 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.597 2.662 14.846 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.666 1.714 16.029 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.684 0.885 14.828 1.00 0.00 H new ATOM 784 N SER A 51 -7.108 0.103 17.917 1.00 0.00 N ATOM 785 CA SER A 51 -8.298 0.141 18.759 1.00 0.00 C ATOM 786 C SER A 51 -8.008 -0.448 20.136 1.00 0.00 C ATOM 787 O SER A 51 -8.578 -0.020 21.140 1.00 0.00 O ATOM 788 CB SER A 51 -9.444 -0.625 18.095 1.00 0.00 C ATOM 789 OG SER A 51 -10.207 -1.334 19.055 1.00 0.00 O ATOM 0 H SER A 51 -7.234 -0.386 17.031 1.00 0.00 H new ATOM 0 HA SER A 51 -8.592 1.183 18.883 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.087 0.071 17.557 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.042 -1.321 17.359 1.00 0.00 H new ATOM 0 HG SER A 51 -10.934 -1.814 18.606 1.00 0.00 H new ATOM 795 N PHE A 52 -7.119 -1.435 20.175 1.00 0.00 N ATOM 796 CA PHE A 52 -6.753 -2.085 21.428 1.00 0.00 C ATOM 797 C PHE A 52 -6.195 -1.073 22.424 1.00 0.00 C ATOM 798 O PHE A 52 -6.229 -1.293 23.635 1.00 0.00 O ATOM 799 CB PHE A 52 -5.723 -3.188 21.173 1.00 0.00 C ATOM 800 CG PHE A 52 -5.855 -4.358 22.105 1.00 0.00 C ATOM 801 CD1 PHE A 52 -6.686 -5.421 21.791 1.00 0.00 C ATOM 802 CD2 PHE A 52 -5.147 -4.395 23.296 1.00 0.00 C ATOM 803 CE1 PHE A 52 -6.809 -6.500 22.647 1.00 0.00 C ATOM 804 CE2 PHE A 52 -5.266 -5.471 24.155 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.099 -6.524 23.831 1.00 0.00 C ATOM 0 H PHE A 52 -6.639 -1.802 19.353 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.653 -2.529 21.854 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.825 -3.539 20.146 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.722 -2.768 21.269 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.244 -5.407 20.867 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.495 -3.574 23.556 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.460 -7.323 22.390 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.708 -5.489 25.079 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.195 -7.364 24.502 1.00 0.00 H new ATOM 815 N PHE A 53 -5.681 0.037 21.905 1.00 0.00 N ATOM 816 CA PHE A 53 -5.113 1.083 22.747 1.00 0.00 C ATOM 817 C PHE A 53 -5.898 2.384 22.601 1.00 0.00 C ATOM 818 O PHE A 53 -5.383 3.466 22.882 1.00 0.00 O ATOM 819 CB PHE A 53 -3.645 1.317 22.387 1.00 0.00 C ATOM 820 CG PHE A 53 -2.848 0.050 22.265 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.836 -0.665 21.078 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.111 -0.427 23.337 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.104 -1.832 20.964 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.377 -1.593 23.229 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.373 -2.296 22.040 1.00 0.00 C ATOM 0 H PHE A 53 -5.646 0.235 20.905 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.177 0.754 23.784 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.593 1.862 21.444 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.190 1.951 23.147 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.405 -0.307 20.233 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.110 0.119 24.269 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.104 -2.381 20.034 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.808 -1.954 24.073 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.799 -3.207 21.952 1.00 0.00 H new ATOM 835 N GLN A 54 -7.146 2.269 22.159 1.00 0.00 N ATOM 836 CA GLN A 54 -8.001 3.435 21.975 1.00 0.00 C ATOM 837 C GLN A 54 -8.218 4.166 23.296 1.00 0.00 C ATOM 838 O GLN A 54 -8.380 5.385 23.323 1.00 0.00 O ATOM 839 CB GLN A 54 -9.348 3.018 21.382 1.00 0.00 C ATOM 840 CG GLN A 54 -10.232 2.256 22.356 1.00 0.00 C ATOM 841 CD GLN A 54 -11.613 1.977 21.796 1.00 0.00 C ATOM 842 OE1 GLN A 54 -12.181 2.800 21.078 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.161 0.813 22.124 1.00 0.00 N ATOM 0 H GLN A 54 -7.587 1.380 21.922 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.502 4.114 21.283 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.878 3.908 21.044 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.172 2.398 20.503 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.752 1.312 22.615 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.327 2.829 23.279 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.654 0.161 22.722 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.089 0.571 21.778 1.00 0.00 H new ATOM 852 N ASN A 55 -8.221 3.411 24.390 1.00 0.00 N ATOM 853 CA ASN A 55 -8.419 3.987 25.715 1.00 0.00 C ATOM 854 C ASN A 55 -7.448 3.380 26.723 1.00 0.00 C ATOM 855 O ASN A 55 -7.749 3.289 27.913 1.00 0.00 O ATOM 856 CB ASN A 55 -9.860 3.764 26.180 1.00 0.00 C ATOM 857 CG ASN A 55 -10.354 2.362 25.881 1.00 0.00 C ATOM 858 OD1 ASN A 55 -9.586 1.400 25.918 1.00 0.00 O ATOM 859 ND2 ASN A 55 -11.642 2.240 25.581 1.00 0.00 N ATOM 0 H ASN A 55 -8.089 2.400 24.385 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.226 5.058 25.651 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.925 3.948 27.252 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.512 4.488 25.692 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -12.032 1.321 25.369 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.242 3.065 25.562 1.00 0.00 H new ATOM 866 N MET A 56 -6.282 2.967 26.238 1.00 0.00 N ATOM 867 CA MET A 56 -5.265 2.371 27.096 1.00 0.00 C ATOM 868 C MET A 56 -4.296 3.432 27.609 1.00 0.00 C ATOM 869 O MET A 56 -3.387 3.854 26.894 1.00 0.00 O ATOM 870 CB MET A 56 -4.497 1.287 26.337 1.00 0.00 C ATOM 871 CG MET A 56 -3.515 0.517 27.205 1.00 0.00 C ATOM 872 SD MET A 56 -3.979 -1.213 27.411 1.00 0.00 S ATOM 873 CE MET A 56 -3.829 -1.807 25.728 1.00 0.00 C ATOM 0 H MET A 56 -6.018 3.034 25.255 1.00 0.00 H new ATOM 0 HA MET A 56 -5.767 1.919 27.951 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.209 0.587 25.900 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.955 1.748 25.511 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.522 0.572 26.760 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.452 0.991 28.184 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.389 -2.736 25.619 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.228 -1.060 25.042 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.779 -1.987 25.498 1.00 0.00 H new ATOM 883 N ASP A 57 -4.497 3.859 28.851 1.00 0.00 N ATOM 884 CA ASP A 57 -3.640 4.870 29.460 1.00 0.00 C ATOM 885 C ASP A 57 -2.190 4.401 29.500 1.00 0.00 C ATOM 886 O ASP A 57 -1.916 3.204 29.574 1.00 0.00 O ATOM 887 CB ASP A 57 -4.124 5.195 30.874 1.00 0.00 C ATOM 888 CG ASP A 57 -4.501 3.952 31.656 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.584 3.253 32.136 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.713 3.679 31.789 1.00 0.00 O ATOM 0 H ASP A 57 -5.246 3.521 29.456 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.694 5.772 28.850 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.341 5.733 31.408 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.986 5.860 30.816 1.00 0.00 H new ATOM 895 N GLY A 58 -1.263 5.353 29.450 1.00 0.00 N ATOM 896 CA GLY A 58 0.149 5.017 29.481 1.00 0.00 C ATOM 897 C GLY A 58 0.473 3.971 30.529 1.00 0.00 C ATOM 898 O GLY A 58 1.349 3.130 30.328 1.00 0.00 O ATOM 0 H GLY A 58 -1.465 6.351 29.389 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.454 4.651 28.501 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.729 5.918 29.680 1.00 0.00 H new ATOM 902 N LYS A 59 -0.233 4.025 31.654 1.00 0.00 N ATOM 903 CA LYS A 59 -0.017 3.076 32.739 1.00 0.00 C ATOM 904 C LYS A 59 -0.366 1.657 32.300 1.00 0.00 C ATOM 905 O LYS A 59 0.393 0.719 32.543 1.00 0.00 O ATOM 906 CB LYS A 59 -0.856 3.464 33.959 1.00 0.00 C ATOM 907 CG LYS A 59 -0.486 4.816 34.546 1.00 0.00 C ATOM 908 CD LYS A 59 0.480 4.673 35.710 1.00 0.00 C ATOM 909 CE LYS A 59 1.829 4.139 35.252 1.00 0.00 C ATOM 910 NZ LYS A 59 1.919 2.660 35.403 1.00 0.00 N ATOM 0 H LYS A 59 -0.960 4.717 31.838 1.00 0.00 H new ATOM 0 HA LYS A 59 1.039 3.105 33.007 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.909 3.475 33.677 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.740 2.700 34.727 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.036 5.438 33.773 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.388 5.327 34.882 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.615 5.641 36.193 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.056 4.001 36.456 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.991 4.408 34.208 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.623 4.612 35.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.584 2.429 36.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.980 2.277 35.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.256 2.240 34.513 1.00 0.00 H new ATOM 924 N GLU A 60 -1.517 1.510 31.652 1.00 0.00 N ATOM 925 CA GLU A 60 -1.964 0.205 31.179 1.00 0.00 C ATOM 926 C GLU A 60 -1.192 -0.216 29.932 1.00 0.00 C ATOM 927 O GLU A 60 -1.268 -1.367 29.499 1.00 0.00 O ATOM 928 CB GLU A 60 -3.464 0.234 30.877 1.00 0.00 C ATOM 929 CG GLU A 60 -4.334 0.318 32.120 1.00 0.00 C ATOM 930 CD GLU A 60 -5.775 0.667 31.802 1.00 0.00 C ATOM 931 OE1 GLU A 60 -6.240 0.314 30.697 1.00 0.00 O ATOM 932 OE2 GLU A 60 -6.437 1.292 32.656 1.00 0.00 O ATOM 0 H GLU A 60 -2.156 2.277 31.443 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.773 -0.523 31.967 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.680 1.087 30.234 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.731 -0.662 30.317 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.303 -0.636 32.646 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.923 1.068 32.796 1.00 0.00 H new ATOM 939 N LEU A 61 -0.448 0.724 29.359 1.00 0.00 N ATOM 940 CA LEU A 61 0.339 0.452 28.161 1.00 0.00 C ATOM 941 C LEU A 61 1.736 -0.040 28.527 1.00 0.00 C ATOM 942 O LEU A 61 2.306 -0.889 27.840 1.00 0.00 O ATOM 943 CB LEU A 61 0.440 1.710 27.296 1.00 0.00 C ATOM 944 CG LEU A 61 1.553 1.716 26.248 1.00 0.00 C ATOM 945 CD1 LEU A 61 1.328 0.614 25.224 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.633 3.073 25.564 1.00 0.00 C ATOM 0 H LEU A 61 -0.373 1.681 29.704 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.166 -0.331 27.595 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.513 1.854 26.786 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.582 2.568 27.953 1.00 0.00 H new ATOM 0 HG LEU A 61 2.501 1.528 26.751 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.130 0.634 24.486 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.321 -0.353 25.726 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.372 0.771 24.725 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.430 3.060 24.821 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.684 3.290 25.074 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.842 3.843 26.307 1.00 0.00 H new ATOM 958 N CYS A 62 2.280 0.496 29.614 1.00 0.00 N ATOM 959 CA CYS A 62 3.610 0.110 30.073 1.00 0.00 C ATOM 960 C CYS A 62 3.561 -1.213 30.830 1.00 0.00 C ATOM 961 O CYS A 62 4.590 -1.851 31.055 1.00 0.00 O ATOM 962 CB CYS A 62 4.200 1.202 30.967 1.00 0.00 C ATOM 963 SG CYS A 62 3.424 1.322 32.596 1.00 0.00 S ATOM 0 H CYS A 62 1.821 1.199 30.194 1.00 0.00 H new ATOM 0 HA CYS A 62 4.247 -0.017 29.198 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.266 1.014 31.097 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.106 2.162 30.460 1.00 0.00 H new ATOM 0 HG CYS A 62 2.155 1.058 32.493 1.00 0.00 H new ATOM 969 N LYS A 63 2.359 -1.619 31.224 1.00 0.00 N ATOM 970 CA LYS A 63 2.174 -2.866 31.957 1.00 0.00 C ATOM 971 C LYS A 63 1.950 -4.032 30.999 1.00 0.00 C ATOM 972 O LYS A 63 2.232 -5.183 31.331 1.00 0.00 O ATOM 973 CB LYS A 63 0.989 -2.746 32.918 1.00 0.00 C ATOM 974 CG LYS A 63 -0.362 -2.800 32.227 1.00 0.00 C ATOM 975 CD LYS A 63 -1.503 -2.761 33.229 1.00 0.00 C ATOM 976 CE LYS A 63 -1.845 -4.152 33.740 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.220 -4.565 33.345 1.00 0.00 N ATOM 0 H LYS A 63 1.497 -1.102 31.048 1.00 0.00 H new ATOM 0 HA LYS A 63 3.080 -3.059 32.531 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.045 -3.550 33.652 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.070 -1.807 33.466 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.453 -1.960 31.538 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.431 -3.710 31.631 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.230 -2.121 34.068 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.383 -2.317 32.763 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.124 -4.870 33.349 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.758 -4.172 34.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.415 -5.518 33.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.910 -3.894 33.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.296 -4.571 32.308 1.00 0.00 H new ATOM 991 N MET A 64 1.442 -3.726 29.810 1.00 0.00 N ATOM 992 CA MET A 64 1.182 -4.749 28.803 1.00 0.00 C ATOM 993 C MET A 64 2.420 -5.610 28.572 1.00 0.00 C ATOM 994 O MET A 64 3.547 -5.159 28.769 1.00 0.00 O ATOM 995 CB MET A 64 0.744 -4.102 27.488 1.00 0.00 C ATOM 996 CG MET A 64 -0.647 -3.491 27.545 1.00 0.00 C ATOM 997 SD MET A 64 -1.860 -4.435 26.603 1.00 0.00 S ATOM 998 CE MET A 64 -1.138 -4.374 24.965 1.00 0.00 C ATOM 0 H MET A 64 1.202 -2.778 29.520 1.00 0.00 H new ATOM 0 HA MET A 64 0.379 -5.388 29.169 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.461 -3.327 27.217 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.771 -4.852 26.697 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.969 -3.428 28.584 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.608 -2.472 27.161 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.929 -4.266 24.223 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.459 -3.524 24.898 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.586 -5.295 24.776 1.00 0.00 H new ATOM 1008 N ASN A 65 2.201 -6.853 28.154 1.00 0.00 N ATOM 1009 CA ASN A 65 3.299 -7.777 27.897 1.00 0.00 C ATOM 1010 C ASN A 65 3.272 -8.266 26.452 1.00 0.00 C ATOM 1011 O ASN A 65 2.385 -7.903 25.678 1.00 0.00 O ATOM 1012 CB ASN A 65 3.223 -8.970 28.852 1.00 0.00 C ATOM 1013 CG ASN A 65 2.669 -8.588 30.211 1.00 0.00 C ATOM 1014 OD1 ASN A 65 3.147 -7.648 30.847 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.657 -9.318 30.663 1.00 0.00 N ATOM 0 H ASN A 65 1.273 -7.243 27.986 1.00 0.00 H new ATOM 0 HA ASN A 65 4.235 -7.245 28.064 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.596 -9.745 28.412 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.218 -9.397 28.975 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.243 -9.109 31.572 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.293 -10.088 30.102 1.00 0.00 H new ATOM 1022 N LYS A 66 4.250 -9.091 26.094 1.00 0.00 N ATOM 1023 CA LYS A 66 4.338 -9.633 24.743 1.00 0.00 C ATOM 1024 C LYS A 66 3.015 -10.264 24.321 1.00 0.00 C ATOM 1025 O LYS A 66 2.585 -10.118 23.178 1.00 0.00 O ATOM 1026 CB LYS A 66 5.460 -10.670 24.660 1.00 0.00 C ATOM 1027 CG LYS A 66 5.688 -11.209 23.258 1.00 0.00 C ATOM 1028 CD LYS A 66 7.083 -10.879 22.754 1.00 0.00 C ATOM 1029 CE LYS A 66 7.289 -11.364 21.327 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.212 -12.532 21.266 1.00 0.00 N ATOM 0 H LYS A 66 4.993 -9.399 26.721 1.00 0.00 H new ATOM 0 HA LYS A 66 4.560 -8.811 24.063 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.385 -10.222 25.023 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.226 -11.501 25.326 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.545 -12.290 23.255 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.946 -10.787 22.580 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.242 -9.802 22.800 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.825 -11.339 23.407 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.327 -11.638 20.894 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.691 -10.551 20.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.013 -13.087 20.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.196 -12.196 21.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.072 -13.130 22.106 1.00 0.00 H new ATOM 1044 N GLU A 67 2.375 -10.963 25.253 1.00 0.00 N ATOM 1045 CA GLU A 67 1.100 -11.615 24.977 1.00 0.00 C ATOM 1046 C GLU A 67 0.009 -10.584 24.703 1.00 0.00 C ATOM 1047 O GLU A 67 -0.575 -10.555 23.620 1.00 0.00 O ATOM 1048 CB GLU A 67 0.692 -12.505 26.152 1.00 0.00 C ATOM 1049 CG GLU A 67 0.774 -13.992 25.847 1.00 0.00 C ATOM 1050 CD GLU A 67 -0.571 -14.587 25.482 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -0.992 -14.430 24.316 1.00 0.00 O ATOM 1052 OE2 GLU A 67 -1.204 -15.210 26.360 1.00 0.00 O ATOM 0 H GLU A 67 2.718 -11.092 26.205 1.00 0.00 H new ATOM 0 HA GLU A 67 1.223 -12.233 24.088 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.332 -12.282 27.005 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.328 -12.259 26.446 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.473 -14.153 25.026 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.175 -14.516 26.715 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.260 -9.739 25.693 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.280 -8.706 25.560 1.00 0.00 C ATOM 1061 C ASP A 68 -1.043 -7.866 24.308 1.00 0.00 C ATOM 1062 O ASP A 68 -1.986 -7.357 23.702 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.289 -7.807 26.798 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.245 -8.599 28.089 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.834 -9.699 28.130 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.622 -8.119 29.060 1.00 0.00 O ATOM 0 H ASP A 68 0.214 -9.750 26.596 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.249 -9.196 25.469 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.434 -7.132 26.760 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.185 -7.186 26.786 1.00 0.00 H new ATOM 1071 N PHE A 69 0.223 -7.726 23.927 1.00 0.00 N ATOM 1072 CA PHE A 69 0.584 -6.946 22.749 1.00 0.00 C ATOM 1073 C PHE A 69 0.360 -7.753 21.473 1.00 0.00 C ATOM 1074 O PHE A 69 -0.052 -7.212 20.446 1.00 0.00 O ATOM 1075 CB PHE A 69 2.045 -6.501 22.834 1.00 0.00 C ATOM 1076 CG PHE A 69 2.219 -5.122 23.406 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.776 -4.009 22.711 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.826 -4.941 24.638 1.00 0.00 C ATOM 1079 CE1 PHE A 69 1.935 -2.739 23.234 1.00 0.00 C ATOM 1080 CE2 PHE A 69 2.986 -3.674 25.167 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.541 -2.572 24.464 1.00 0.00 C ATOM 0 H PHE A 69 1.015 -8.142 24.417 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.056 -6.064 22.718 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.598 -7.213 23.447 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.484 -6.530 21.837 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.301 -4.135 21.749 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.178 -5.799 25.191 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.586 -1.879 22.682 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.459 -3.546 26.130 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.667 -1.581 24.875 1.00 0.00 H new ATOM 1091 N LEU A 70 0.636 -9.051 21.546 1.00 0.00 N ATOM 1092 CA LEU A 70 0.466 -9.935 20.398 1.00 0.00 C ATOM 1093 C LEU A 70 -1.012 -10.121 20.068 1.00 0.00 C ATOM 1094 O LEU A 70 -1.364 -10.530 18.961 1.00 0.00 O ATOM 1095 CB LEU A 70 1.113 -11.293 20.674 1.00 0.00 C ATOM 1096 CG LEU A 70 2.508 -11.504 20.084 1.00 0.00 C ATOM 1097 CD1 LEU A 70 3.062 -12.859 20.495 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.470 -11.379 18.568 1.00 0.00 C ATOM 0 H LEU A 70 0.978 -9.514 22.388 1.00 0.00 H new ATOM 0 HA LEU A 70 0.956 -9.474 19.540 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.172 -11.432 21.753 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.455 -12.072 20.288 1.00 0.00 H new ATOM 0 HG LEU A 70 3.168 -10.730 20.476 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.055 -12.991 20.066 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.126 -12.911 21.582 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.402 -13.647 20.132 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.471 -11.532 18.165 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.795 -12.130 18.158 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.116 -10.385 18.294 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.872 -9.815 21.034 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.311 -9.947 20.846 1.00 0.00 C ATOM 1112 C ARG A 71 -3.881 -8.724 20.133 1.00 0.00 C ATOM 1113 O ARG A 71 -5.087 -8.631 19.908 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.008 -10.136 22.194 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.673 -11.454 22.874 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.727 -11.833 23.903 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.589 -13.220 24.341 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.501 -13.854 25.070 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -6.611 -13.230 25.439 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.303 -15.116 25.430 1.00 0.00 N ATOM 0 H ARG A 71 -1.597 -9.474 21.955 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.492 -10.825 20.225 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.730 -9.315 22.855 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.086 -10.076 22.047 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.594 -12.242 22.125 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.700 -11.377 23.359 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.647 -11.171 24.765 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.719 -11.684 23.478 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.747 -13.729 24.073 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.767 -12.260 25.163 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.309 -13.720 25.999 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.451 -15.599 25.147 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.003 -15.603 25.990 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.005 -7.789 19.782 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.421 -6.573 19.094 1.00 0.00 C ATOM 1136 C ALA A 72 -2.528 -6.291 17.890 1.00 0.00 C ATOM 1137 O ALA A 72 -3.002 -5.857 16.840 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.405 -5.392 20.053 1.00 0.00 C ATOM 0 H ALA A 72 -2.003 -7.850 19.963 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.439 -6.720 18.733 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.718 -4.491 19.526 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.089 -5.585 20.879 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.396 -5.253 20.442 1.00 0.00 H new ATOM 1144 N THR A 73 -1.231 -6.538 18.050 1.00 0.00 N ATOM 1145 CA THR A 73 -0.271 -6.308 16.978 1.00 0.00 C ATOM 1146 C THR A 73 0.503 -7.580 16.651 1.00 0.00 C ATOM 1147 O THR A 73 0.625 -8.477 17.486 1.00 0.00 O ATOM 1148 CB THR A 73 0.726 -5.194 17.346 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.410 -4.742 16.172 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.737 -5.689 18.369 1.00 0.00 C ATOM 0 H THR A 73 -0.822 -6.897 18.912 1.00 0.00 H new ATOM 0 HA THR A 73 -0.843 -5.999 16.103 1.00 0.00 H new ATOM 0 HB THR A 73 0.167 -4.366 17.782 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.757 -4.543 15.469 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.431 -4.885 18.613 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.215 -6.005 19.272 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.290 -6.532 17.955 1.00 0.00 H new ATOM 1158 N THR A 74 1.025 -7.653 15.431 1.00 0.00 N ATOM 1159 CA THR A 74 1.788 -8.816 14.994 1.00 0.00 C ATOM 1160 C THR A 74 3.046 -8.996 15.835 1.00 0.00 C ATOM 1161 O THR A 74 3.455 -8.089 16.562 1.00 0.00 O ATOM 1162 CB THR A 74 2.187 -8.700 13.511 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.896 -9.875 13.102 1.00 0.00 O ATOM 1164 CG2 THR A 74 3.053 -7.472 13.277 1.00 0.00 C ATOM 0 H THR A 74 0.933 -6.920 14.727 1.00 0.00 H new ATOM 0 HA THR A 74 1.142 -9.685 15.122 1.00 0.00 H new ATOM 0 HB THR A 74 1.277 -8.600 12.920 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.145 -9.795 12.158 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.322 -7.412 12.222 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.500 -6.577 13.562 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.959 -7.546 13.879 1.00 0.00 H new ATOM 1172 N LEU A 75 3.658 -10.170 15.731 1.00 0.00 N ATOM 1173 CA LEU A 75 4.872 -10.469 16.482 1.00 0.00 C ATOM 1174 C LEU A 75 5.974 -9.466 16.158 1.00 0.00 C ATOM 1175 O LEU A 75 6.575 -8.877 17.057 1.00 0.00 O ATOM 1176 CB LEU A 75 5.352 -11.888 16.171 1.00 0.00 C ATOM 1177 CG LEU A 75 6.783 -12.221 16.593 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.937 -12.096 18.101 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.165 -13.619 16.130 1.00 0.00 C ATOM 0 H LEU A 75 3.334 -10.931 15.134 1.00 0.00 H new ATOM 0 HA LEU A 75 4.639 -10.395 17.544 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.678 -12.593 16.658 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.264 -12.052 15.097 1.00 0.00 H new ATOM 0 HG LEU A 75 7.456 -11.507 16.119 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.962 -12.337 18.383 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.707 -11.076 18.407 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.253 -12.786 18.595 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.187 -13.838 16.439 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.487 -14.347 16.575 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.095 -13.674 15.044 1.00 0.00 H new ATOM 1191 N TYR A 76 6.232 -9.274 14.869 1.00 0.00 N ATOM 1192 CA TYR A 76 7.262 -8.341 14.427 1.00 0.00 C ATOM 1193 C TYR A 76 7.105 -6.989 15.116 1.00 0.00 C ATOM 1194 O TYR A 76 8.055 -6.458 15.688 1.00 0.00 O ATOM 1195 CB TYR A 76 7.199 -8.163 12.909 1.00 0.00 C ATOM 1196 CG TYR A 76 8.277 -7.255 12.361 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.161 -5.873 12.454 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.409 -7.777 11.749 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.143 -5.039 11.955 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.396 -6.951 11.248 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.258 -5.582 11.353 1.00 0.00 C ATOM 1202 OH TYR A 76 11.239 -4.756 10.854 1.00 0.00 O ATOM 0 H TYR A 76 5.742 -9.752 14.112 1.00 0.00 H new ATOM 0 HA TYR A 76 8.233 -8.755 14.698 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.282 -9.140 12.433 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.223 -7.759 12.639 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.289 -5.444 12.924 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.520 -8.848 11.663 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.038 -3.967 12.036 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.271 -7.374 10.777 1.00 0.00 H new ATOM 0 HH TYR A 76 11.956 -5.298 10.464 1.00 0.00 H new ATOM 1212 N ASN A 77 5.897 -6.438 15.055 1.00 0.00 N ATOM 1213 CA ASN A 77 5.613 -5.148 15.673 1.00 0.00 C ATOM 1214 C ASN A 77 5.726 -5.236 17.192 1.00 0.00 C ATOM 1215 O ASN A 77 6.167 -4.292 17.849 1.00 0.00 O ATOM 1216 CB ASN A 77 4.214 -4.668 15.281 1.00 0.00 C ATOM 1217 CG ASN A 77 4.085 -4.417 13.791 1.00 0.00 C ATOM 1218 OD1 ASN A 77 5.082 -4.356 13.072 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.852 -4.269 13.321 1.00 0.00 N ATOM 0 H ASN A 77 5.099 -6.865 14.584 1.00 0.00 H new ATOM 0 HA ASN A 77 6.350 -4.430 15.313 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.479 -5.413 15.586 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.983 -3.751 15.823 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.702 -4.097 12.327 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.054 -4.327 13.954 1.00 0.00 H new ATOM 1226 N THR A 78 5.326 -6.376 17.745 1.00 0.00 N ATOM 1227 CA THR A 78 5.381 -6.588 19.186 1.00 0.00 C ATOM 1228 C THR A 78 6.803 -6.422 19.712 1.00 0.00 C ATOM 1229 O THR A 78 7.010 -5.940 20.825 1.00 0.00 O ATOM 1230 CB THR A 78 4.865 -7.988 19.569 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.500 -8.135 19.160 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.977 -8.214 21.069 1.00 0.00 C ATOM 0 H THR A 78 4.960 -7.168 17.216 1.00 0.00 H new ATOM 0 HA THR A 78 4.737 -5.835 19.641 1.00 0.00 H new ATOM 0 HB THR A 78 5.479 -8.730 19.059 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.468 -8.437 18.228 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.607 -9.209 21.316 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.020 -8.129 21.373 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.384 -7.466 21.595 1.00 0.00 H new ATOM 1240 N GLU A 79 7.778 -6.824 18.903 1.00 0.00 N ATOM 1241 CA GLU A 79 9.181 -6.720 19.289 1.00 0.00 C ATOM 1242 C GLU A 79 9.646 -5.267 19.261 1.00 0.00 C ATOM 1243 O GLU A 79 10.404 -4.829 20.127 1.00 0.00 O ATOM 1244 CB GLU A 79 10.053 -7.564 18.357 1.00 0.00 C ATOM 1245 CG GLU A 79 10.013 -9.051 18.666 1.00 0.00 C ATOM 1246 CD GLU A 79 11.395 -9.645 18.854 1.00 0.00 C ATOM 1247 OE1 GLU A 79 12.155 -9.125 19.698 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.718 -10.630 18.157 1.00 0.00 O ATOM 0 H GLU A 79 7.623 -7.224 17.978 1.00 0.00 H new ATOM 0 HA GLU A 79 9.280 -7.096 20.307 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.729 -7.407 17.328 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.084 -7.215 18.423 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.425 -9.215 19.569 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.504 -9.573 17.856 1.00 0.00 H new ATOM 1255 N VAL A 80 9.186 -4.523 18.260 1.00 0.00 N ATOM 1256 CA VAL A 80 9.554 -3.119 18.118 1.00 0.00 C ATOM 1257 C VAL A 80 9.007 -2.289 19.274 1.00 0.00 C ATOM 1258 O VAL A 80 9.762 -1.638 19.997 1.00 0.00 O ATOM 1259 CB VAL A 80 9.036 -2.535 16.791 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.334 -1.045 16.711 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.647 -3.273 15.610 1.00 0.00 C ATOM 0 H VAL A 80 8.558 -4.869 17.535 1.00 0.00 H new ATOM 0 HA VAL A 80 10.643 -3.074 18.125 1.00 0.00 H new ATOM 0 HB VAL A 80 7.955 -2.668 16.753 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.961 -0.649 15.766 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.845 -0.531 17.538 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.411 -0.886 16.771 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.270 -2.847 14.680 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.732 -3.174 15.641 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.378 -4.328 15.661 1.00 0.00 H new ATOM 1271 N LEU A 81 7.690 -2.318 19.444 1.00 0.00 N ATOM 1272 CA LEU A 81 7.040 -1.568 20.514 1.00 0.00 C ATOM 1273 C LEU A 81 7.686 -1.871 21.862 1.00 0.00 C ATOM 1274 O LEU A 81 8.146 -0.966 22.560 1.00 0.00 O ATOM 1275 CB LEU A 81 5.548 -1.901 20.564 1.00 0.00 C ATOM 1276 CG LEU A 81 4.748 -1.592 19.298 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.296 -2.011 19.469 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.842 -0.113 18.956 1.00 0.00 C ATOM 0 H LEU A 81 7.051 -2.852 18.855 1.00 0.00 H new ATOM 0 HA LEU A 81 7.162 -0.505 20.305 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.440 -2.962 20.787 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.102 -1.354 21.394 1.00 0.00 H new ATOM 0 HG LEU A 81 5.174 -2.163 18.473 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.742 -1.783 18.558 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.247 -3.082 19.666 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.857 -1.468 20.306 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.267 0.089 18.052 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.442 0.477 19.780 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.885 0.156 18.790 1.00 0.00 H new ATOM 1290 N LEU A 82 7.721 -3.150 22.221 1.00 0.00 N ATOM 1291 CA LEU A 82 8.313 -3.573 23.485 1.00 0.00 C ATOM 1292 C LEU A 82 9.728 -3.023 23.635 1.00 0.00 C ATOM 1293 O LEU A 82 10.078 -2.459 24.671 1.00 0.00 O ATOM 1294 CB LEU A 82 8.336 -5.100 23.573 1.00 0.00 C ATOM 1295 CG LEU A 82 7.125 -5.752 24.242 1.00 0.00 C ATOM 1296 CD1 LEU A 82 7.124 -5.469 25.736 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.834 -5.261 23.603 1.00 0.00 C ATOM 0 H LEU A 82 7.347 -3.911 21.655 1.00 0.00 H new ATOM 0 HA LEU A 82 7.701 -3.177 24.295 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.428 -5.501 22.564 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.232 -5.399 24.117 1.00 0.00 H new ATOM 0 HG LEU A 82 7.191 -6.830 24.098 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.255 -5.941 26.195 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.033 -5.871 26.183 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.083 -4.393 25.902 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.983 -5.735 24.092 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.761 -4.179 23.716 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.833 -5.516 22.543 1.00 0.00 H new ATOM 1309 N SER A 83 10.536 -3.189 22.592 1.00 0.00 N ATOM 1310 CA SER A 83 11.913 -2.710 22.609 1.00 0.00 C ATOM 1311 C SER A 83 11.961 -1.201 22.829 1.00 0.00 C ATOM 1312 O SER A 83 12.734 -0.706 23.649 1.00 0.00 O ATOM 1313 CB SER A 83 12.615 -3.068 21.297 1.00 0.00 C ATOM 1314 OG SER A 83 13.877 -2.431 21.205 1.00 0.00 O ATOM 0 H SER A 83 10.261 -3.651 21.725 1.00 0.00 H new ATOM 0 HA SER A 83 12.431 -3.196 23.435 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.744 -4.148 21.233 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.991 -2.770 20.454 1.00 0.00 H new ATOM 0 HG SER A 83 14.306 -2.676 20.359 1.00 0.00 H new ATOM 1320 N HIS A 84 11.127 -0.474 22.090 1.00 0.00 N ATOM 1321 CA HIS A 84 11.073 0.979 22.204 1.00 0.00 C ATOM 1322 C HIS A 84 10.705 1.399 23.624 1.00 0.00 C ATOM 1323 O HIS A 84 11.456 2.117 24.285 1.00 0.00 O ATOM 1324 CB HIS A 84 10.061 1.552 21.212 1.00 0.00 C ATOM 1325 CG HIS A 84 10.245 3.014 20.946 1.00 0.00 C ATOM 1326 ND1 HIS A 84 11.060 3.661 20.080 1.00 0.00 N flip ATOM 1327 CD2 HIS A 84 9.543 3.995 21.615 1.00 0.00 C flip ATOM 1328 CE1 HIS A 84 10.836 5.007 20.238 1.00 0.00 C flip ATOM 1329 NE2 HIS A 84 9.916 5.181 21.170 1.00 0.00 N flip ATOM 0 H HIS A 84 10.480 -0.868 21.407 1.00 0.00 H new ATOM 0 HA HIS A 84 12.062 1.374 21.972 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.139 1.007 20.271 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.054 1.385 21.595 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.804 3.820 22.383 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.331 5.795 19.690 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.555 6.079 21.491 1.00 0.00 H new ATOM 1337 N LEU A 85 9.544 0.947 24.087 1.00 0.00 N ATOM 1338 CA LEU A 85 9.076 1.277 25.429 1.00 0.00 C ATOM 1339 C LEU A 85 10.091 0.844 26.482 1.00 0.00 C ATOM 1340 O LEU A 85 10.161 1.424 27.566 1.00 0.00 O ATOM 1341 CB LEU A 85 7.727 0.606 25.698 1.00 0.00 C ATOM 1342 CG LEU A 85 6.650 1.493 26.323 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.566 1.813 25.306 1.00 0.00 C ATOM 1344 CD2 LEU A 85 6.051 0.821 27.550 1.00 0.00 C ATOM 0 H LEU A 85 8.910 0.352 23.554 1.00 0.00 H new ATOM 0 HA LEU A 85 8.957 2.359 25.490 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.345 0.213 24.756 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.893 -0.248 26.355 1.00 0.00 H new ATOM 0 HG LEU A 85 7.114 2.429 26.636 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.808 2.445 25.769 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.006 2.336 24.457 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.105 0.887 24.962 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.286 1.467 27.982 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.603 -0.130 27.262 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.835 0.644 28.287 1.00 0.00 H new ATOM 1356 N SER A 86 10.877 -0.177 26.155 1.00 0.00 N ATOM 1357 CA SER A 86 11.887 -0.688 27.073 1.00 0.00 C ATOM 1358 C SER A 86 12.828 0.426 27.522 1.00 0.00 C ATOM 1359 O SER A 86 13.146 0.546 28.705 1.00 0.00 O ATOM 1360 CB SER A 86 12.688 -1.810 26.410 1.00 0.00 C ATOM 1361 OG SER A 86 13.998 -1.378 26.084 1.00 0.00 O ATOM 0 H SER A 86 10.833 -0.666 25.261 1.00 0.00 H new ATOM 0 HA SER A 86 11.376 -1.084 27.951 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.741 -2.668 27.080 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.176 -2.142 25.507 1.00 0.00 H new ATOM 0 HG SER A 86 14.006 -1.017 25.173 1.00 0.00 H new ATOM 1367 N TYR A 87 13.268 1.240 26.568 1.00 0.00 N ATOM 1368 CA TYR A 87 14.174 2.343 26.863 1.00 0.00 C ATOM 1369 C TYR A 87 13.434 3.486 27.551 1.00 0.00 C ATOM 1370 O TYR A 87 13.821 3.930 28.633 1.00 0.00 O ATOM 1371 CB TYR A 87 14.832 2.848 25.578 1.00 0.00 C ATOM 1372 CG TYR A 87 15.629 4.119 25.764 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.724 4.157 26.619 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.288 5.282 25.085 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.454 5.316 26.793 1.00 0.00 C ATOM 1376 CE2 TYR A 87 16.014 6.446 25.251 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.096 6.458 26.107 1.00 0.00 C ATOM 1378 OH TYR A 87 17.822 7.614 26.277 1.00 0.00 O ATOM 0 H TYR A 87 13.012 1.156 25.584 1.00 0.00 H new ATOM 0 HA TYR A 87 14.946 1.975 27.538 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.489 2.071 25.187 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.060 3.020 24.828 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.009 3.265 27.157 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.441 5.276 24.416 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.301 5.328 27.463 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.736 7.341 24.714 1.00 0.00 H new ATOM 0 HH TYR A 87 17.440 8.325 25.722 1.00 0.00 H new ATOM 1388 N LEU A 88 12.366 3.958 26.917 1.00 0.00 N ATOM 1389 CA LEU A 88 11.570 5.049 27.467 1.00 0.00 C ATOM 1390 C LEU A 88 11.168 4.757 28.909 1.00 0.00 C ATOM 1391 O LEU A 88 11.067 5.666 29.733 1.00 0.00 O ATOM 1392 CB LEU A 88 10.321 5.276 26.614 1.00 0.00 C ATOM 1393 CG LEU A 88 10.529 6.047 25.310 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.266 5.188 24.294 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.195 6.515 24.748 1.00 0.00 C ATOM 0 H LEU A 88 12.032 3.602 26.022 1.00 0.00 H new ATOM 0 HA LEU A 88 12.180 5.952 27.455 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.889 4.305 26.373 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.587 5.811 27.216 1.00 0.00 H new ATOM 0 HG LEU A 88 11.138 6.925 25.523 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.405 5.753 23.372 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.239 4.903 24.695 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.683 4.291 24.085 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.363 7.062 23.820 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.560 5.651 24.550 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.705 7.168 25.470 1.00 0.00 H new