USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 528 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 78 ASN :FLIP amide:sc= 1.23 F(o=1,f=1.7) USER MOD Set 1.2: A 81 ASN :FLIP amide:sc= 0.103 F(o=1,f=1.7) USER MOD Set 1.3: A 85 SER OG : rot 106:sc= 0.402 USER MOD Set 2.1: A 54 HIS : no HD1:sc= -0.429 K(o=-0.43,f=-1.5) USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.623 F(o=-1.2,f=-0.62) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 1.32 (180deg=1.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 103:sc= 1.18 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.0834 F(o=-2.1!,f=-0.083) USER MOD Single : A 49 LYS NZ :NH3+ 140:sc= -0.04 (180deg=-4.04!) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= 1.24 (180deg=1.13) USER MOD Single : A 55 MET CE :methyl 175:sc= -0.326 (180deg=-0.409) USER MOD Single : A 59 GLN : amide:sc= -0.0592 X(o=-0.059,f=-0.18) USER MOD Single : A 61 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.1) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc=-0.00797 X(o=-0.008,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 77:sc= 1.14 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 100:sc= -1.52 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 91 LYS NZ :NH3+ 138:sc= 1.25 (180deg=0.54) USER MOD ----------------------------------------------------------------- ATOM 348 N GLN A 25 -9.192 0.588 -33.871 1.00 0.44 N ATOM 349 CA GLN A 25 -10.182 -0.447 -34.123 1.00 0.43 C ATOM 350 C GLN A 25 -10.335 -1.365 -32.916 1.00 0.37 C ATOM 351 O GLN A 25 -9.416 -2.110 -32.572 1.00 0.49 O ATOM 352 CB GLN A 25 -9.788 -1.269 -35.348 1.00 0.48 C ATOM 353 CG GLN A 25 -10.799 -2.341 -35.710 1.00 0.64 C ATOM 354 CD GLN A 25 -12.183 -1.785 -35.989 1.00 0.76 C ATOM 355 OE1 GLN A 25 -13.202 -2.560 -35.658 1.00 1.28 O flip ATOM 356 NE2 GLN A 25 -12.337 -0.674 -36.488 1.00 1.34 N flip ATOM 0 HA GLN A 25 -11.138 0.042 -34.309 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.660 -0.600 -36.199 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -8.822 -1.739 -35.164 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -10.447 -2.882 -36.589 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -10.861 -3.063 -34.896 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -11.525 -0.106 -36.729 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -13.277 -0.319 -36.661 1.00 1.34 H new ATOM 365 N LYS A 26 -11.495 -1.310 -32.273 1.00 0.26 N ATOM 366 CA LYS A 26 -11.784 -2.197 -31.159 1.00 0.21 C ATOM 367 C LYS A 26 -12.982 -3.091 -31.459 1.00 0.24 C ATOM 368 O LYS A 26 -13.983 -2.650 -32.022 1.00 0.43 O ATOM 369 CB LYS A 26 -12.043 -1.417 -29.865 1.00 0.30 C ATOM 370 CG LYS A 26 -10.784 -0.938 -29.164 1.00 0.69 C ATOM 371 CD LYS A 26 -11.116 -0.296 -27.826 1.00 1.08 C ATOM 372 CE LYS A 26 -9.882 -0.154 -26.947 1.00 1.59 C ATOM 373 NZ LYS A 26 -10.210 0.411 -25.613 1.00 2.11 N ATOM 0 H LYS A 26 -12.247 -0.662 -32.505 1.00 0.26 H new ATOM 0 HA LYS A 26 -10.900 -2.820 -31.020 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -12.669 -0.554 -30.093 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.609 -2.049 -29.180 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -10.107 -1.778 -29.010 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -10.262 -0.220 -29.796 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -11.558 0.686 -27.994 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -11.863 -0.898 -27.309 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -9.412 -1.130 -26.822 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -9.155 0.489 -27.444 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -9.344 0.475 -25.041 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -10.619 1.360 -25.729 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -10.897 -0.206 -25.134 1.00 2.11 H new ATOM 387 N LYS A 27 -12.844 -4.356 -31.103 1.00 0.12 N ATOM 388 CA LYS A 27 -13.914 -5.331 -31.202 1.00 0.12 C ATOM 389 C LYS A 27 -14.360 -5.777 -29.818 1.00 0.13 C ATOM 390 O LYS A 27 -13.568 -5.783 -28.878 1.00 0.19 O ATOM 391 CB LYS A 27 -13.433 -6.541 -31.993 1.00 0.14 C ATOM 392 CG LYS A 27 -13.405 -6.319 -33.486 1.00 0.19 C ATOM 393 CD LYS A 27 -14.799 -6.132 -34.049 1.00 0.28 C ATOM 394 CE LYS A 27 -14.729 -5.765 -35.511 1.00 0.44 C ATOM 395 NZ LYS A 27 -16.071 -5.680 -36.138 1.00 1.27 N ATOM 0 H LYS A 27 -11.974 -4.739 -30.732 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.759 -4.869 -31.712 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.432 -6.810 -31.656 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.082 -7.389 -31.773 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.800 -5.441 -33.712 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.927 -7.170 -33.972 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.375 -7.049 -33.925 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.320 -5.351 -33.496 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -14.220 -4.807 -35.618 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -14.130 -6.506 -36.040 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -15.970 -5.425 -37.141 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -16.549 -6.600 -36.061 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -16.636 -4.955 -35.652 1.00 1.27 H new ATOM 409 N ARG A 28 -15.623 -6.152 -29.688 1.00 0.10 N ATOM 410 CA ARG A 28 -16.119 -6.689 -28.430 1.00 0.12 C ATOM 411 C ARG A 28 -16.657 -8.098 -28.630 1.00 0.09 C ATOM 412 O ARG A 28 -17.494 -8.337 -29.498 1.00 0.15 O ATOM 413 CB ARG A 28 -17.198 -5.784 -27.824 1.00 0.19 C ATOM 414 CG ARG A 28 -16.675 -4.416 -27.412 1.00 0.29 C ATOM 415 CD ARG A 28 -17.376 -3.892 -26.171 1.00 0.29 C ATOM 416 NE ARG A 28 -18.224 -2.733 -26.455 1.00 0.74 N ATOM 417 CZ ARG A 28 -18.019 -1.521 -25.933 1.00 1.15 C ATOM 418 NH1 ARG A 28 -16.936 -1.287 -25.205 1.00 1.40 N ATOM 419 NH2 ARG A 28 -18.873 -0.534 -26.178 1.00 1.65 N ATOM 0 H ARG A 28 -16.319 -6.095 -30.432 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.284 -6.728 -27.730 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -18.002 -5.655 -28.548 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.629 -6.278 -26.953 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.603 -4.479 -27.224 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.814 -3.712 -28.232 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.984 -4.686 -25.738 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -16.630 -3.619 -25.424 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.015 -2.858 -27.086 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -16.259 -2.033 -25.044 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -16.780 -0.361 -24.806 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -19.689 -0.700 -26.767 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -18.713 0.390 -25.777 1.00 1.65 H new ATOM 433 N ALA A 29 -16.167 -9.023 -27.818 1.00 0.08 N ATOM 434 CA ALA A 29 -16.559 -10.424 -27.903 1.00 0.07 C ATOM 435 C ALA A 29 -16.381 -11.085 -26.545 1.00 0.06 C ATOM 436 O ALA A 29 -15.970 -10.436 -25.584 1.00 0.08 O ATOM 437 CB ALA A 29 -15.747 -11.158 -28.965 1.00 0.08 C ATOM 0 H ALA A 29 -15.488 -8.825 -27.083 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.608 -10.476 -28.194 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.061 -12.201 -29.006 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.911 -10.691 -29.936 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.688 -11.107 -28.713 1.00 0.08 H new ATOM 443 N THR A 30 -16.698 -12.360 -26.458 1.00 0.06 N ATOM 444 CA THR A 30 -16.581 -13.080 -25.208 1.00 0.06 C ATOM 445 C THR A 30 -15.324 -13.942 -25.213 1.00 0.06 C ATOM 446 O THR A 30 -14.925 -14.459 -26.262 1.00 0.08 O ATOM 447 CB THR A 30 -17.813 -13.972 -24.983 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.829 -13.645 -25.944 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.364 -13.789 -23.579 1.00 0.11 C ATOM 0 H THR A 30 -17.039 -12.920 -27.240 1.00 0.06 H new ATOM 0 HA THR A 30 -16.517 -12.352 -24.399 1.00 0.06 H new ATOM 0 HB THR A 30 -17.512 -15.012 -25.105 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.612 -14.216 -25.799 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.235 -14.430 -23.444 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.599 -14.057 -22.850 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.654 -12.748 -23.435 1.00 0.11 H new ATOM 457 N VAL A 31 -14.684 -14.067 -24.059 1.00 0.08 N ATOM 458 CA VAL A 31 -13.519 -14.932 -23.927 1.00 0.10 C ATOM 459 C VAL A 31 -13.922 -16.387 -24.109 1.00 0.11 C ATOM 460 O VAL A 31 -14.662 -16.939 -23.298 1.00 0.14 O ATOM 461 CB VAL A 31 -12.830 -14.768 -22.557 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.577 -15.626 -22.477 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.494 -13.314 -22.286 1.00 0.13 C ATOM 0 H VAL A 31 -14.950 -13.582 -23.202 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.812 -14.638 -24.703 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.528 -15.104 -21.791 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.108 -15.494 -21.502 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.844 -16.674 -22.612 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.880 -15.325 -23.259 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -12.009 -13.228 -21.314 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.822 -12.945 -23.061 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.409 -12.722 -22.289 1.00 0.13 H new ATOM 473 N ASP A 32 -13.434 -16.993 -25.177 1.00 0.12 N ATOM 474 CA ASP A 32 -13.698 -18.394 -25.455 1.00 0.15 C ATOM 475 C ASP A 32 -13.027 -19.263 -24.407 1.00 0.15 C ATOM 476 O ASP A 32 -13.662 -20.123 -23.789 1.00 0.19 O ATOM 477 CB ASP A 32 -13.177 -18.761 -26.850 1.00 0.21 C ATOM 478 CG ASP A 32 -13.148 -20.256 -27.091 1.00 0.34 C ATOM 479 OD1 ASP A 32 -12.086 -20.876 -26.886 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.185 -20.817 -27.492 1.00 0.60 O ATOM 0 H ASP A 32 -12.847 -16.532 -25.872 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.774 -18.565 -25.424 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.806 -18.288 -27.604 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.172 -18.358 -26.975 1.00 0.21 H new ATOM 485 N SER A 33 -11.745 -19.002 -24.185 1.00 0.14 N ATOM 486 CA SER A 33 -10.933 -19.814 -23.299 1.00 0.18 C ATOM 487 C SER A 33 -9.711 -19.033 -22.853 1.00 0.13 C ATOM 488 O SER A 33 -9.364 -18.016 -23.448 1.00 0.14 O ATOM 489 CB SER A 33 -10.472 -21.095 -24.003 1.00 0.27 C ATOM 490 OG SER A 33 -11.565 -21.868 -24.474 1.00 1.07 O ATOM 0 H SER A 33 -11.244 -18.224 -24.614 1.00 0.14 H new ATOM 0 HA SER A 33 -11.541 -20.080 -22.435 1.00 0.18 H new ATOM 0 HB2 SER A 33 -9.825 -20.835 -24.841 1.00 0.27 H new ATOM 0 HB3 SER A 33 -9.876 -21.693 -23.313 1.00 0.27 H new ATOM 0 HG SER A 33 -11.660 -21.745 -25.442 1.00 1.07 H new ATOM 496 N ILE A 34 -9.069 -19.510 -21.806 1.00 0.16 N ATOM 497 CA ILE A 34 -7.818 -18.943 -21.351 1.00 0.14 C ATOM 498 C ILE A 34 -6.857 -20.064 -20.985 1.00 0.16 C ATOM 499 O ILE A 34 -7.195 -20.967 -20.220 1.00 0.19 O ATOM 500 CB ILE A 34 -8.029 -17.958 -20.174 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.356 -16.561 -20.718 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.806 -17.904 -19.266 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.722 -15.548 -19.651 1.00 0.17 C ATOM 0 H ILE A 34 -9.399 -20.298 -21.249 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.382 -18.360 -22.162 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.867 -18.316 -19.575 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.496 -16.190 -21.275 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.182 -16.643 -21.424 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -6.988 -17.203 -18.451 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.613 -18.895 -18.856 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.940 -17.574 -19.841 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.938 -14.588 -20.120 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.602 -15.893 -19.108 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.889 -15.434 -18.957 1.00 0.17 H new ATOM 515 N LYS A 35 -5.677 -20.013 -21.581 1.00 0.17 N ATOM 516 CA LYS A 35 -4.667 -21.034 -21.401 1.00 0.21 C ATOM 517 C LYS A 35 -3.417 -20.422 -20.782 1.00 0.20 C ATOM 518 O LYS A 35 -2.549 -19.910 -21.491 1.00 0.22 O ATOM 519 CB LYS A 35 -4.325 -21.672 -22.750 1.00 0.24 C ATOM 520 CG LYS A 35 -5.517 -22.332 -23.434 1.00 0.34 C ATOM 521 CD LYS A 35 -6.079 -23.476 -22.604 1.00 0.47 C ATOM 522 CE LYS A 35 -7.448 -23.911 -23.104 1.00 0.64 C ATOM 523 NZ LYS A 35 -7.397 -24.511 -24.467 1.00 1.56 N ATOM 0 H LYS A 35 -5.395 -19.257 -22.205 1.00 0.17 H new ATOM 0 HA LYS A 35 -5.053 -21.804 -20.733 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.916 -20.908 -23.410 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.543 -22.417 -22.602 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.296 -21.589 -23.604 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.214 -22.706 -24.412 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.393 -24.322 -22.638 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -6.153 -23.167 -21.561 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -7.871 -24.635 -22.408 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -8.117 -23.050 -23.115 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -8.355 -24.790 -24.760 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -7.019 -23.814 -25.139 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -6.781 -25.349 -24.455 1.00 1.56 H new ATOM 537 N GLY A 36 -3.357 -20.424 -19.461 1.00 0.25 N ATOM 538 CA GLY A 36 -2.206 -19.879 -18.772 1.00 0.28 C ATOM 539 C GLY A 36 -2.126 -18.368 -18.882 1.00 0.24 C ATOM 540 O GLY A 36 -2.971 -17.654 -18.344 1.00 0.29 O ATOM 0 H GLY A 36 -4.086 -20.794 -18.851 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.248 -20.162 -17.720 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.298 -20.319 -19.184 1.00 0.28 H new ATOM 544 N GLN A 37 -1.121 -17.884 -19.602 1.00 0.21 N ATOM 545 CA GLN A 37 -0.907 -16.447 -19.758 1.00 0.20 C ATOM 546 C GLN A 37 -1.519 -15.962 -21.065 1.00 0.17 C ATOM 547 O GLN A 37 -1.276 -14.835 -21.495 1.00 0.21 O ATOM 548 CB GLN A 37 0.589 -16.114 -19.750 1.00 0.24 C ATOM 549 CG GLN A 37 1.382 -16.852 -18.685 1.00 0.36 C ATOM 550 CD GLN A 37 0.918 -16.541 -17.271 1.00 1.27 C ATOM 551 OE1 GLN A 37 0.440 -15.442 -16.982 1.00 2.10 O ATOM 552 NE2 GLN A 37 1.056 -17.507 -16.380 1.00 1.94 N ATOM 0 H GLN A 37 -0.439 -18.466 -20.089 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.388 -15.944 -18.919 1.00 0.20 H new ATOM 0 HB2 GLN A 37 1.008 -16.349 -20.728 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.711 -15.041 -19.601 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.302 -17.925 -18.859 1.00 0.36 H new ATOM 0 HG3 GLN A 37 2.436 -16.592 -18.780 1.00 0.36 H new ATOM 0 HE21 GLN A 37 1.456 -18.403 -16.657 1.00 1.94 H new ATOM 0 HE22 GLN A 37 0.762 -17.356 -15.415 1.00 1.94 H new ATOM 561 N PHE A 38 -2.317 -16.810 -21.695 1.00 0.13 N ATOM 562 CA PHE A 38 -2.895 -16.483 -22.981 1.00 0.11 C ATOM 563 C PHE A 38 -4.382 -16.722 -22.974 1.00 0.10 C ATOM 564 O PHE A 38 -4.868 -17.672 -22.373 1.00 0.12 O ATOM 565 CB PHE A 38 -2.237 -17.285 -24.105 1.00 0.13 C ATOM 566 CG PHE A 38 -0.799 -16.929 -24.320 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.454 -15.899 -25.180 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.204 -17.607 -23.650 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.866 -15.553 -25.368 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.527 -17.268 -23.837 1.00 0.29 C ATOM 571 CZ PHE A 38 1.856 -16.236 -24.694 1.00 0.32 C ATOM 0 H PHE A 38 -2.577 -17.728 -21.334 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.711 -15.425 -23.165 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.311 -18.348 -23.875 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.788 -17.120 -25.031 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.228 -15.362 -25.708 1.00 0.21 H new ATOM 0 HD2 PHE A 38 -0.052 -18.409 -22.974 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.125 -14.749 -26.041 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.304 -17.807 -23.315 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.891 -15.963 -24.836 1.00 0.32 H new ATOM 581 N GLY A 39 -5.094 -15.846 -23.636 1.00 0.09 N ATOM 582 CA GLY A 39 -6.519 -15.982 -23.730 1.00 0.09 C ATOM 583 C GLY A 39 -6.971 -16.037 -25.163 1.00 0.09 C ATOM 584 O GLY A 39 -6.276 -15.557 -26.053 1.00 0.11 O ATOM 0 H GLY A 39 -4.708 -15.033 -24.116 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.835 -16.888 -23.212 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -7.000 -15.143 -23.227 1.00 0.09 H new ATOM 588 N PHE A 40 -8.121 -16.630 -25.388 1.00 0.09 N ATOM 589 CA PHE A 40 -8.685 -16.709 -26.716 1.00 0.10 C ATOM 590 C PHE A 40 -10.122 -16.238 -26.665 1.00 0.10 C ATOM 591 O PHE A 40 -10.846 -16.539 -25.721 1.00 0.18 O ATOM 592 CB PHE A 40 -8.622 -18.144 -27.258 1.00 0.12 C ATOM 593 CG PHE A 40 -7.235 -18.720 -27.309 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.667 -19.281 -26.177 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.504 -18.701 -28.484 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.392 -19.807 -26.213 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.226 -19.227 -28.528 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.669 -19.783 -27.391 1.00 0.17 C ATOM 0 H PHE A 40 -8.688 -17.068 -24.662 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.106 -16.074 -27.386 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.247 -18.784 -26.635 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.048 -18.161 -28.261 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.229 -19.307 -25.255 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -6.936 -18.271 -29.376 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -4.959 -20.237 -25.322 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.663 -19.204 -29.450 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.672 -20.197 -27.423 1.00 0.17 H new ATOM 608 N LEU A 41 -10.529 -15.490 -27.669 1.00 0.10 N ATOM 609 CA LEU A 41 -11.870 -14.942 -27.703 1.00 0.09 C ATOM 610 C LEU A 41 -12.666 -15.603 -28.809 1.00 0.09 C ATOM 611 O LEU A 41 -12.089 -16.141 -29.756 1.00 0.13 O ATOM 612 CB LEU A 41 -11.814 -13.426 -27.905 1.00 0.09 C ATOM 613 CG LEU A 41 -10.723 -12.735 -27.092 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.421 -11.358 -27.640 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.140 -12.643 -25.638 1.00 0.53 C ATOM 0 H LEU A 41 -9.951 -15.247 -28.473 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.365 -15.141 -26.752 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.654 -13.216 -28.962 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.780 -12.997 -27.637 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.814 -13.331 -27.166 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.640 -10.891 -27.040 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.083 -11.443 -28.673 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.322 -10.746 -27.603 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.356 -12.149 -25.065 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.063 -12.069 -25.560 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.302 -13.645 -25.242 1.00 0.53 H new ATOM 627 N ASN A 42 -13.983 -15.584 -28.683 1.00 0.11 N ATOM 628 CA ASN A 42 -14.849 -16.149 -29.705 1.00 0.15 C ATOM 629 C ASN A 42 -14.881 -15.209 -30.901 1.00 0.14 C ATOM 630 O ASN A 42 -15.857 -14.496 -31.124 1.00 0.17 O ATOM 631 CB ASN A 42 -16.266 -16.375 -29.149 1.00 0.22 C ATOM 632 CG ASN A 42 -17.118 -17.340 -29.976 1.00 0.79 C ATOM 633 OD1 ASN A 42 -16.912 -17.386 -31.285 1.00 1.53 O flip ATOM 634 ND2 ASN A 42 -17.970 -18.038 -29.429 1.00 1.37 N flip ATOM 0 H ASN A 42 -14.475 -15.184 -27.884 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.459 -17.117 -30.018 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.188 -16.758 -28.131 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.778 -15.415 -29.090 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -18.105 -17.980 -28.420 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -18.541 -18.675 -29.985 1.00 1.37 H new ATOM 641 N PHE A 43 -13.789 -15.189 -31.640 1.00 0.12 N ATOM 642 CA PHE A 43 -13.672 -14.342 -32.803 1.00 0.13 C ATOM 643 C PHE A 43 -12.757 -15.009 -33.821 1.00 0.16 C ATOM 644 O PHE A 43 -11.533 -14.978 -33.685 1.00 0.18 O ATOM 645 CB PHE A 43 -13.137 -12.955 -32.410 1.00 0.12 C ATOM 646 CG PHE A 43 -13.329 -11.913 -33.470 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.473 -11.135 -33.487 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.370 -11.708 -34.447 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.659 -10.172 -34.455 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.548 -10.746 -35.420 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.695 -9.975 -35.426 1.00 0.28 C ATOM 0 H PHE A 43 -12.964 -15.758 -31.450 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.657 -14.203 -33.249 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.635 -12.628 -31.497 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.074 -13.037 -32.181 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.230 -11.284 -32.732 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.472 -12.308 -34.448 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.557 -9.572 -34.455 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -11.792 -10.596 -36.176 1.00 0.27 H new ATOM 0 HZ PHE A 43 -13.838 -9.221 -36.186 1.00 0.28 H new ATOM 661 N GLU A 44 -13.366 -15.661 -34.796 1.00 0.23 N ATOM 662 CA GLU A 44 -12.641 -16.313 -35.875 1.00 0.30 C ATOM 663 C GLU A 44 -12.138 -15.269 -36.859 1.00 0.29 C ATOM 664 O GLU A 44 -12.891 -14.765 -37.693 1.00 0.39 O ATOM 665 CB GLU A 44 -13.556 -17.327 -36.569 1.00 0.44 C ATOM 666 CG GLU A 44 -13.976 -18.501 -35.682 1.00 0.60 C ATOM 667 CD GLU A 44 -14.825 -18.104 -34.481 1.00 1.14 C ATOM 668 OE1 GLU A 44 -14.645 -18.705 -33.397 1.00 1.81 O ATOM 669 OE2 GLU A 44 -15.664 -17.193 -34.610 1.00 1.57 O ATOM 0 H GLU A 44 -14.380 -15.754 -34.863 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.780 -16.846 -35.472 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.451 -16.812 -36.919 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -13.046 -17.716 -37.450 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -14.533 -19.217 -36.286 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -13.081 -19.012 -35.327 1.00 0.60 H new ATOM 676 N VAL A 45 -10.859 -14.938 -36.743 1.00 0.30 N ATOM 677 CA VAL A 45 -10.263 -13.879 -37.551 1.00 0.38 C ATOM 678 C VAL A 45 -10.048 -14.327 -38.985 1.00 0.45 C ATOM 679 O VAL A 45 -10.098 -13.523 -39.911 1.00 0.58 O ATOM 680 CB VAL A 45 -8.926 -13.392 -36.957 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.162 -12.794 -35.590 1.00 0.85 C ATOM 682 CG2 VAL A 45 -7.915 -14.519 -36.872 1.00 0.71 C ATOM 0 H VAL A 45 -10.212 -15.388 -36.096 1.00 0.30 H new ATOM 0 HA VAL A 45 -10.970 -13.049 -37.544 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.516 -12.629 -37.619 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.214 -12.451 -35.174 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -9.847 -11.951 -35.675 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.595 -13.548 -34.933 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -6.984 -14.142 -36.449 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.307 -15.312 -36.236 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -7.726 -14.914 -37.870 1.00 0.71 H new ATOM 692 N GLU A 46 -9.810 -15.614 -39.162 1.00 0.51 N ATOM 693 CA GLU A 46 -9.535 -16.160 -40.462 1.00 0.61 C ATOM 694 C GLU A 46 -9.862 -17.646 -40.492 1.00 0.62 C ATOM 695 O GLU A 46 -9.191 -18.439 -39.837 1.00 0.97 O ATOM 696 CB GLU A 46 -8.062 -15.945 -40.797 1.00 0.75 C ATOM 697 CG GLU A 46 -7.554 -16.904 -41.846 1.00 0.88 C ATOM 698 CD GLU A 46 -6.053 -16.863 -42.010 1.00 1.35 C ATOM 699 OE1 GLU A 46 -5.411 -17.909 -41.790 1.00 2.24 O ATOM 700 OE2 GLU A 46 -5.506 -15.790 -42.321 1.00 1.57 O ATOM 0 H GLU A 46 -9.804 -16.300 -38.407 1.00 0.51 H new ATOM 0 HA GLU A 46 -10.156 -15.654 -41.201 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -7.919 -14.923 -41.147 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.468 -16.058 -39.890 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -7.857 -17.917 -41.581 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -8.024 -16.671 -42.801 1.00 0.88 H new ATOM 707 N ASP A 47 -10.920 -18.002 -41.210 1.00 0.85 N ATOM 708 CA ASP A 47 -11.251 -19.406 -41.488 1.00 0.84 C ATOM 709 C ASP A 47 -11.361 -20.243 -40.206 1.00 0.83 C ATOM 710 O ASP A 47 -11.105 -21.448 -40.207 1.00 1.18 O ATOM 711 CB ASP A 47 -10.187 -20.003 -42.411 1.00 0.90 C ATOM 712 CG ASP A 47 -10.644 -21.280 -43.087 1.00 1.18 C ATOM 713 OD1 ASP A 47 -11.840 -21.377 -43.438 1.00 1.30 O ATOM 714 OD2 ASP A 47 -9.802 -22.177 -43.304 1.00 1.55 O ATOM 0 H ASP A 47 -11.574 -17.334 -41.617 1.00 0.85 H new ATOM 0 HA ASP A 47 -12.227 -19.429 -41.972 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -9.921 -19.270 -43.172 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -9.285 -20.206 -41.834 1.00 0.90 H new ATOM 719 N GLY A 48 -11.752 -19.606 -39.116 1.00 0.65 N ATOM 720 CA GLY A 48 -11.910 -20.327 -37.868 1.00 0.67 C ATOM 721 C GLY A 48 -10.779 -20.078 -36.888 1.00 0.58 C ATOM 722 O GLY A 48 -10.771 -20.643 -35.796 1.00 0.66 O ATOM 0 H GLY A 48 -11.962 -18.609 -39.070 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.854 -20.038 -37.405 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -11.972 -21.395 -38.078 1.00 0.67 H new ATOM 726 N LYS A 49 -9.827 -19.230 -37.271 1.00 0.48 N ATOM 727 CA LYS A 49 -8.704 -18.891 -36.406 1.00 0.44 C ATOM 728 C LYS A 49 -9.188 -18.155 -35.162 1.00 0.36 C ATOM 729 O LYS A 49 -9.666 -17.021 -35.260 1.00 0.35 O ATOM 730 CB LYS A 49 -7.700 -18.005 -37.147 1.00 0.50 C ATOM 731 CG LYS A 49 -6.697 -18.749 -38.014 1.00 0.71 C ATOM 732 CD LYS A 49 -5.312 -18.694 -37.390 1.00 0.93 C ATOM 733 CE LYS A 49 -4.208 -18.705 -38.436 1.00 1.41 C ATOM 734 NZ LYS A 49 -4.388 -17.653 -39.470 1.00 2.50 N ATOM 0 H LYS A 49 -9.813 -18.765 -38.179 1.00 0.48 H new ATOM 0 HA LYS A 49 -8.219 -19.822 -36.112 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.251 -17.306 -37.776 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.153 -17.412 -36.414 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.008 -19.787 -38.132 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.671 -18.309 -39.011 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -5.225 -17.793 -36.782 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -5.184 -19.544 -36.720 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -3.246 -18.564 -37.944 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -4.180 -19.682 -38.918 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -3.465 -17.233 -39.703 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -4.802 -18.075 -40.326 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -5.023 -16.914 -39.106 1.00 2.50 H new ATOM 748 N LYS A 50 -9.076 -18.800 -34.009 1.00 0.37 N ATOM 749 CA LYS A 50 -9.465 -18.187 -32.745 1.00 0.32 C ATOM 750 C LYS A 50 -8.551 -17.007 -32.429 1.00 0.27 C ATOM 751 O LYS A 50 -7.341 -17.067 -32.656 1.00 0.36 O ATOM 752 CB LYS A 50 -9.389 -19.219 -31.614 1.00 0.41 C ATOM 753 CG LYS A 50 -10.595 -19.203 -30.683 1.00 0.47 C ATOM 754 CD LYS A 50 -11.887 -19.387 -31.461 1.00 0.47 C ATOM 755 CE LYS A 50 -12.959 -20.066 -30.634 1.00 0.69 C ATOM 756 NZ LYS A 50 -14.135 -20.419 -31.465 1.00 1.32 N ATOM 0 H LYS A 50 -8.718 -19.751 -33.922 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.491 -17.828 -32.832 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.291 -20.214 -32.049 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.488 -19.037 -31.029 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.497 -19.996 -29.942 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.626 -18.259 -30.138 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -12.249 -18.415 -31.796 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -11.690 -19.979 -32.355 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -12.552 -20.967 -30.175 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -13.268 -19.407 -29.823 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -15.007 -20.169 -30.956 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -14.096 -19.895 -32.363 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -14.128 -21.441 -31.660 1.00 1.32 H new ATOM 770 N LEU A 51 -9.132 -15.929 -31.931 1.00 0.19 N ATOM 771 CA LEU A 51 -8.353 -14.765 -31.551 1.00 0.13 C ATOM 772 C LEU A 51 -7.614 -15.026 -30.254 1.00 0.12 C ATOM 773 O LEU A 51 -8.228 -15.381 -29.252 1.00 0.16 O ATOM 774 CB LEU A 51 -9.238 -13.535 -31.367 1.00 0.13 C ATOM 775 CG LEU A 51 -8.971 -12.393 -32.345 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.731 -11.153 -31.933 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.484 -12.090 -32.444 1.00 0.16 C ATOM 0 H LEU A 51 -10.137 -15.836 -31.781 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.644 -14.575 -32.357 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.280 -13.839 -31.463 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.107 -13.161 -30.351 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.319 -12.708 -33.329 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.528 -10.350 -32.642 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.800 -11.368 -31.924 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.414 -10.846 -30.936 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.325 -11.273 -33.148 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.105 -11.803 -31.463 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -6.954 -12.977 -32.792 1.00 0.16 H new ATOM 789 N PHE A 52 -6.306 -14.844 -30.268 1.00 0.12 N ATOM 790 CA PHE A 52 -5.518 -15.018 -29.064 1.00 0.11 C ATOM 791 C PHE A 52 -5.071 -13.665 -28.533 1.00 0.10 C ATOM 792 O PHE A 52 -5.013 -12.678 -29.278 1.00 0.12 O ATOM 793 CB PHE A 52 -4.299 -15.907 -29.332 1.00 0.14 C ATOM 794 CG PHE A 52 -3.145 -15.196 -29.989 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.092 -15.044 -31.364 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.112 -14.681 -29.218 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.028 -14.395 -31.960 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.048 -14.030 -29.807 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.007 -13.883 -31.179 1.00 0.39 C ATOM 0 H PHE A 52 -5.771 -14.578 -31.094 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.141 -15.508 -28.315 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -3.959 -16.331 -28.387 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.604 -16.741 -29.964 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -3.890 -15.437 -31.977 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.142 -14.791 -28.144 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -1.993 -14.287 -33.034 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.249 -13.636 -29.196 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.178 -13.369 -31.643 1.00 0.39 H new ATOM 809 N PHE A 53 -4.770 -13.628 -27.252 1.00 0.10 N ATOM 810 CA PHE A 53 -4.214 -12.447 -26.627 1.00 0.10 C ATOM 811 C PHE A 53 -3.342 -12.861 -25.450 1.00 0.11 C ATOM 812 O PHE A 53 -3.508 -13.957 -24.904 1.00 0.13 O ATOM 813 CB PHE A 53 -5.336 -11.495 -26.181 1.00 0.10 C ATOM 814 CG PHE A 53 -6.184 -11.993 -25.038 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.747 -11.878 -23.727 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.427 -12.558 -25.274 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.528 -12.320 -22.680 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.210 -13.002 -24.227 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.761 -12.883 -22.929 1.00 0.14 C ATOM 0 H PHE A 53 -4.904 -14.414 -26.616 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.596 -11.912 -27.348 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.890 -10.543 -25.893 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -5.985 -11.298 -27.035 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.783 -11.437 -23.523 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.787 -12.652 -26.288 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.173 -12.225 -21.664 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.176 -13.443 -24.425 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.374 -13.230 -22.110 1.00 0.14 H new ATOM 829 N HIS A 54 -2.414 -12.005 -25.067 1.00 0.13 N ATOM 830 CA HIS A 54 -1.553 -12.287 -23.936 1.00 0.15 C ATOM 831 C HIS A 54 -2.092 -11.559 -22.702 1.00 0.15 C ATOM 832 O HIS A 54 -2.727 -10.514 -22.824 1.00 0.16 O ATOM 833 CB HIS A 54 -0.113 -11.863 -24.252 1.00 0.18 C ATOM 834 CG HIS A 54 0.878 -12.252 -23.199 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.639 -11.354 -22.490 1.00 0.34 N ATOM 836 CD2 HIS A 54 1.219 -13.481 -22.733 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.408 -12.043 -21.642 1.00 0.34 C ATOM 838 NE2 HIS A 54 2.192 -13.342 -21.748 1.00 0.27 N ATOM 0 H HIS A 54 -2.238 -11.109 -25.522 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.544 -13.358 -23.732 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.186 -12.308 -25.201 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.083 -10.781 -24.383 1.00 0.18 H new ATOM 0 HD2 HIS A 54 0.802 -14.417 -23.073 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.115 -11.596 -20.958 1.00 0.34 H new ATOM 0 HE2 HIS A 54 2.644 -14.087 -21.218 1.00 0.27 H new ATOM 846 N MET A 55 -1.846 -12.116 -21.521 1.00 0.16 N ATOM 847 CA MET A 55 -2.356 -11.560 -20.265 1.00 0.17 C ATOM 848 C MET A 55 -1.818 -10.157 -19.976 1.00 0.17 C ATOM 849 O MET A 55 -2.249 -9.510 -19.025 1.00 0.27 O ATOM 850 CB MET A 55 -2.008 -12.494 -19.111 1.00 0.24 C ATOM 851 CG MET A 55 -3.039 -13.586 -18.874 1.00 0.76 C ATOM 852 SD MET A 55 -4.632 -12.927 -18.359 1.00 1.86 S ATOM 853 CE MET A 55 -5.549 -14.431 -18.054 1.00 2.43 C ATOM 0 H MET A 55 -1.290 -12.963 -21.403 1.00 0.16 H new ATOM 0 HA MET A 55 -3.438 -11.472 -20.368 1.00 0.17 H new ATOM 0 HB2 MET A 55 -1.041 -12.957 -19.309 1.00 0.24 H new ATOM 0 HB3 MET A 55 -1.899 -11.906 -18.200 1.00 0.24 H new ATOM 0 HG2 MET A 55 -3.167 -14.165 -19.788 1.00 0.76 H new ATOM 0 HG3 MET A 55 -2.669 -14.272 -18.112 1.00 0.76 H new ATOM 0 HE1 MET A 55 -6.528 -14.183 -17.643 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.676 -14.976 -18.989 1.00 2.43 H new ATOM 0 HE3 MET A 55 -5.003 -15.052 -17.344 1.00 2.43 H new ATOM 863 N SER A 56 -0.881 -9.691 -20.787 1.00 0.16 N ATOM 864 CA SER A 56 -0.339 -8.354 -20.622 1.00 0.19 C ATOM 865 C SER A 56 -1.261 -7.306 -21.247 1.00 0.17 C ATOM 866 O SER A 56 -1.246 -6.143 -20.845 1.00 0.24 O ATOM 867 CB SER A 56 1.061 -8.278 -21.228 1.00 0.26 C ATOM 868 OG SER A 56 1.952 -9.147 -20.550 1.00 0.91 O ATOM 0 H SER A 56 -0.482 -10.218 -21.564 1.00 0.16 H new ATOM 0 HA SER A 56 -0.270 -8.139 -19.556 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.020 -8.544 -22.284 1.00 0.26 H new ATOM 0 HB3 SER A 56 1.431 -7.254 -21.172 1.00 0.26 H new ATOM 0 HG SER A 56 2.842 -9.084 -20.955 1.00 0.91 H new ATOM 874 N GLU A 57 -2.059 -7.713 -22.236 1.00 0.14 N ATOM 875 CA GLU A 57 -3.028 -6.814 -22.843 1.00 0.17 C ATOM 876 C GLU A 57 -4.288 -6.744 -21.987 1.00 0.16 C ATOM 877 O GLU A 57 -5.111 -5.846 -22.144 1.00 0.20 O ATOM 878 CB GLU A 57 -3.381 -7.271 -24.262 1.00 0.22 C ATOM 879 CG GLU A 57 -2.225 -7.207 -25.256 1.00 0.32 C ATOM 880 CD GLU A 57 -1.232 -8.347 -25.112 1.00 1.10 C ATOM 881 OE1 GLU A 57 -1.435 -9.401 -25.755 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.234 -8.187 -24.379 1.00 1.20 O ATOM 0 H GLU A 57 -2.050 -8.655 -22.628 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.583 -5.821 -22.903 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.749 -8.296 -24.218 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.199 -6.654 -24.635 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.628 -7.213 -26.269 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -1.699 -6.261 -25.128 1.00 0.32 H new ATOM 889 N VAL A 58 -4.412 -7.708 -21.084 1.00 0.17 N ATOM 890 CA VAL A 58 -5.534 -7.806 -20.165 1.00 0.17 C ATOM 891 C VAL A 58 -5.617 -6.598 -19.220 1.00 0.20 C ATOM 892 O VAL A 58 -4.610 -5.955 -18.913 1.00 0.27 O ATOM 893 CB VAL A 58 -5.430 -9.137 -19.383 1.00 0.16 C ATOM 894 CG1 VAL A 58 -6.129 -9.079 -18.044 1.00 0.27 C ATOM 895 CG2 VAL A 58 -6.012 -10.263 -20.215 1.00 0.22 C ATOM 0 H VAL A 58 -3.725 -8.453 -20.969 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.459 -7.799 -20.741 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.373 -9.317 -19.188 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -6.025 -10.039 -17.537 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.680 -8.296 -17.433 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -7.186 -8.861 -18.195 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.938 -11.200 -19.662 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -7.059 -10.052 -20.432 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.458 -10.348 -21.150 1.00 0.22 H new ATOM 905 N GLN A 59 -6.842 -6.303 -18.790 1.00 0.20 N ATOM 906 CA GLN A 59 -7.156 -5.125 -17.995 1.00 0.25 C ATOM 907 C GLN A 59 -6.484 -5.153 -16.623 1.00 0.34 C ATOM 908 O GLN A 59 -7.050 -5.666 -15.654 1.00 0.57 O ATOM 909 CB GLN A 59 -8.676 -5.027 -17.831 1.00 0.31 C ATOM 910 CG GLN A 59 -9.193 -3.610 -17.609 1.00 0.41 C ATOM 911 CD GLN A 59 -9.097 -3.147 -16.169 1.00 0.77 C ATOM 912 OE1 GLN A 59 -8.089 -2.585 -15.746 1.00 1.60 O ATOM 913 NE2 GLN A 59 -10.161 -3.361 -15.412 1.00 1.25 N ATOM 0 H GLN A 59 -7.655 -6.887 -18.989 1.00 0.20 H new ATOM 0 HA GLN A 59 -6.771 -4.251 -18.520 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.153 -5.440 -18.720 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -8.980 -5.648 -16.988 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -8.629 -2.924 -18.241 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.233 -3.557 -17.930 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -10.978 -3.831 -15.802 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -10.164 -3.056 -14.439 1.00 1.25 H new ATOM 922 N GLY A 60 -5.269 -4.623 -16.560 1.00 0.40 N ATOM 923 CA GLY A 60 -4.608 -4.397 -15.292 1.00 0.49 C ATOM 924 C GLY A 60 -4.072 -5.667 -14.659 1.00 0.44 C ATOM 925 O GLY A 60 -2.860 -5.838 -14.522 1.00 0.58 O ATOM 0 H GLY A 60 -4.725 -4.343 -17.376 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -3.785 -3.697 -15.439 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -5.309 -3.924 -14.604 1.00 0.49 H new ATOM 929 N ASN A 61 -4.978 -6.548 -14.264 1.00 0.47 N ATOM 930 CA ASN A 61 -4.619 -7.781 -13.576 1.00 0.52 C ATOM 931 C ASN A 61 -5.136 -8.980 -14.344 1.00 0.52 C ATOM 932 O ASN A 61 -6.228 -8.954 -14.910 1.00 0.49 O ATOM 933 CB ASN A 61 -5.180 -7.787 -12.153 1.00 0.63 C ATOM 934 CG ASN A 61 -4.886 -9.069 -11.380 1.00 1.27 C ATOM 935 OD1 ASN A 61 -3.856 -9.715 -11.582 1.00 2.20 O ATOM 936 ND2 ASN A 61 -5.800 -9.452 -10.498 1.00 1.71 N ATOM 0 H ASN A 61 -5.981 -6.430 -14.410 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.532 -7.839 -13.520 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -4.765 -6.941 -11.606 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -6.259 -7.640 -12.197 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -5.662 -10.307 -9.960 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -6.640 -8.891 -10.358 1.00 1.71 H new ATOM 943 N THR A 62 -4.352 -10.032 -14.328 1.00 0.62 N ATOM 944 CA THR A 62 -4.633 -11.219 -15.106 1.00 0.71 C ATOM 945 C THR A 62 -5.805 -11.991 -14.516 1.00 0.70 C ATOM 946 O THR A 62 -6.534 -12.680 -15.222 1.00 0.82 O ATOM 947 CB THR A 62 -3.367 -12.093 -15.171 1.00 0.86 C ATOM 948 OG1 THR A 62 -3.105 -12.692 -13.894 1.00 0.87 O ATOM 949 CG2 THR A 62 -2.180 -11.223 -15.558 1.00 0.95 C ATOM 0 H THR A 62 -3.498 -10.091 -13.774 1.00 0.62 H new ATOM 0 HA THR A 62 -4.915 -10.928 -16.118 1.00 0.71 H new ATOM 0 HB THR A 62 -3.520 -12.880 -15.910 1.00 0.86 H new ATOM 0 HG1 THR A 62 -2.298 -13.246 -13.952 1.00 0.87 H new ATOM 0 HG21 THR A 62 -1.280 -11.836 -15.606 1.00 0.95 H new ATOM 0 HG22 THR A 62 -2.363 -10.770 -16.533 1.00 0.95 H new ATOM 0 HG23 THR A 62 -2.046 -10.439 -14.813 1.00 0.95 H new ATOM 957 N VAL A 63 -6.004 -11.835 -13.217 1.00 0.63 N ATOM 958 CA VAL A 63 -7.109 -12.483 -12.529 1.00 0.71 C ATOM 959 C VAL A 63 -8.291 -11.514 -12.427 1.00 0.64 C ATOM 960 O VAL A 63 -9.149 -11.631 -11.557 1.00 0.74 O ATOM 961 CB VAL A 63 -6.675 -12.964 -11.123 1.00 0.84 C ATOM 962 CG1 VAL A 63 -7.677 -13.955 -10.542 1.00 1.39 C ATOM 963 CG2 VAL A 63 -5.283 -13.580 -11.169 1.00 1.31 C ATOM 0 H VAL A 63 -5.412 -11.262 -12.616 1.00 0.63 H new ATOM 0 HA VAL A 63 -7.415 -13.359 -13.101 1.00 0.71 H new ATOM 0 HB VAL A 63 -6.647 -12.092 -10.470 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -7.343 -14.273 -9.554 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -8.654 -13.478 -10.459 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -7.752 -14.823 -11.197 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -4.998 -13.911 -10.170 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -5.285 -14.433 -11.847 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -4.568 -12.837 -11.523 1.00 1.31 H new ATOM 973 N ALA A 64 -8.311 -10.539 -13.324 1.00 0.55 N ATOM 974 CA ALA A 64 -9.436 -9.624 -13.432 1.00 0.53 C ATOM 975 C ALA A 64 -10.265 -9.973 -14.651 1.00 0.44 C ATOM 976 O ALA A 64 -11.407 -9.540 -14.795 1.00 0.56 O ATOM 977 CB ALA A 64 -8.948 -8.187 -13.517 1.00 0.57 C ATOM 0 H ALA A 64 -7.558 -10.362 -13.989 1.00 0.55 H new ATOM 0 HA ALA A 64 -10.056 -9.721 -12.541 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -9.804 -7.516 -13.597 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -8.378 -7.943 -12.620 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.312 -8.070 -14.394 1.00 0.57 H new ATOM 983 N LEU A 65 -9.668 -10.767 -15.520 1.00 0.35 N ATOM 984 CA LEU A 65 -10.298 -11.166 -16.758 1.00 0.25 C ATOM 985 C LEU A 65 -10.442 -12.686 -16.793 1.00 0.22 C ATOM 986 O LEU A 65 -9.459 -13.412 -16.632 1.00 0.26 O ATOM 987 CB LEU A 65 -9.436 -10.667 -17.917 1.00 0.23 C ATOM 988 CG LEU A 65 -10.187 -10.284 -19.185 1.00 0.25 C ATOM 989 CD1 LEU A 65 -9.924 -8.831 -19.529 1.00 1.51 C ATOM 990 CD2 LEU A 65 -9.794 -11.201 -20.328 1.00 1.21 C ATOM 0 H LEU A 65 -8.733 -11.152 -15.385 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.295 -10.734 -16.841 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.870 -9.800 -17.577 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.712 -11.443 -18.167 1.00 0.23 H new ATOM 0 HG LEU A 65 -11.257 -10.402 -19.014 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -10.466 -8.568 -20.437 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -10.261 -8.196 -18.709 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -8.856 -8.682 -19.688 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -10.339 -10.915 -21.228 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -8.723 -11.117 -20.510 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -10.038 -12.231 -20.068 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.665 -13.165 -16.994 1.00 0.20 N ATOM 1003 CA HIS A 66 -11.947 -14.595 -16.902 1.00 0.21 C ATOM 1004 C HIS A 66 -12.560 -15.123 -18.199 1.00 0.15 C ATOM 1005 O HIS A 66 -13.182 -14.369 -18.950 1.00 0.15 O ATOM 1006 CB HIS A 66 -12.903 -14.881 -15.734 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.353 -14.559 -14.375 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -12.047 -15.509 -13.421 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -12.078 -13.359 -13.803 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -11.610 -14.869 -12.328 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -11.609 -13.566 -12.507 1.00 0.91 N ATOM 0 H HIS A 66 -12.475 -12.588 -17.221 1.00 0.20 H new ATOM 0 HA HIS A 66 -11.000 -15.106 -16.730 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.819 -14.309 -15.884 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.178 -15.935 -15.758 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -12.203 -12.397 -14.277 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -11.299 -15.360 -11.418 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -11.324 -12.853 -11.835 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.379 -16.428 -18.488 1.00 0.15 N ATOM 1020 CA PRO A 67 -12.987 -17.067 -19.656 1.00 0.14 C ATOM 1021 C PRO A 67 -14.504 -17.171 -19.525 1.00 0.15 C ATOM 1022 O PRO A 67 -15.023 -17.654 -18.519 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.347 -18.458 -19.688 1.00 0.19 C ATOM 1024 CG PRO A 67 -11.921 -18.715 -18.286 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.561 -17.375 -17.703 1.00 0.19 C ATOM 0 HA PRO A 67 -12.817 -16.496 -20.569 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.056 -19.212 -20.030 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.498 -18.487 -20.371 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.722 -19.185 -17.716 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.069 -19.394 -18.257 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.796 -17.323 -16.640 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.496 -17.166 -17.805 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.207 -16.716 -20.553 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.655 -16.709 -20.527 1.00 0.18 C ATOM 1035 C GLY A 68 -17.206 -15.328 -20.252 1.00 0.18 C ATOM 1036 O GLY A 68 -18.397 -15.076 -20.443 1.00 0.22 O ATOM 0 H GLY A 68 -14.796 -16.349 -21.411 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.037 -17.069 -21.482 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -17.008 -17.400 -19.762 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.338 -14.435 -19.801 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.707 -13.044 -19.595 1.00 0.20 C ATOM 1042 C ASP A 69 -16.639 -12.280 -20.907 1.00 0.13 C ATOM 1043 O ASP A 69 -15.900 -12.659 -21.822 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.775 -12.375 -18.585 1.00 0.27 C ATOM 1045 CG ASP A 69 -16.257 -12.478 -17.149 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -17.106 -11.654 -16.749 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -15.747 -13.337 -16.400 1.00 1.09 O ATOM 0 H ASP A 69 -15.368 -14.651 -19.570 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.726 -13.026 -19.209 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -14.786 -12.828 -18.661 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.664 -11.323 -18.847 1.00 0.27 H new ATOM 1052 N THR A 70 -17.414 -11.214 -21.003 1.00 0.13 N ATOM 1053 CA THR A 70 -17.361 -10.351 -22.168 1.00 0.11 C ATOM 1054 C THR A 70 -16.151 -9.438 -22.062 1.00 0.10 C ATOM 1055 O THR A 70 -15.803 -8.989 -20.971 1.00 0.14 O ATOM 1056 CB THR A 70 -18.634 -9.495 -22.290 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.786 -10.294 -21.988 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.776 -8.919 -23.694 1.00 0.15 C ATOM 0 H THR A 70 -18.085 -10.927 -20.291 1.00 0.13 H new ATOM 0 HA THR A 70 -17.286 -10.980 -23.055 1.00 0.11 H new ATOM 0 HB THR A 70 -18.556 -8.670 -21.582 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.594 -9.745 -22.065 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.684 -8.319 -23.751 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.913 -8.293 -23.920 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.833 -9.733 -24.417 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.494 -9.184 -23.177 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.332 -8.315 -23.178 1.00 0.12 C ATOM 1068 C VAL A 71 -14.310 -7.409 -24.390 1.00 0.12 C ATOM 1069 O VAL A 71 -14.989 -7.652 -25.394 1.00 0.16 O ATOM 1070 CB VAL A 71 -13.007 -9.108 -23.140 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -12.857 -9.862 -21.831 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.916 -10.059 -24.320 1.00 0.24 C ATOM 0 H VAL A 71 -15.743 -9.565 -24.090 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.416 -7.715 -22.272 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.187 -8.393 -23.211 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -11.915 -10.411 -21.833 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -12.863 -9.155 -21.001 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.685 -10.562 -21.717 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.975 -10.607 -24.274 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.748 -10.762 -24.285 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.959 -9.491 -25.249 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.530 -6.363 -24.271 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.263 -5.481 -25.371 1.00 0.14 C ATOM 1084 C GLU A 72 -11.790 -5.595 -25.720 1.00 0.14 C ATOM 1085 O GLU A 72 -10.939 -5.678 -24.837 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.658 -4.042 -25.018 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.552 -3.029 -25.220 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.040 -1.604 -25.112 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.318 -0.777 -24.521 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.166 -1.319 -25.580 1.00 0.78 O ATOM 0 H GLU A 72 -13.062 -6.102 -23.403 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.859 -5.763 -26.239 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.516 -3.753 -25.625 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -13.979 -4.010 -23.977 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -11.770 -3.198 -24.479 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.100 -3.181 -26.200 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.505 -5.642 -27.000 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.155 -5.868 -27.477 1.00 0.08 C ATOM 1099 C PHE A 73 -9.969 -5.164 -28.801 1.00 0.07 C ATOM 1100 O PHE A 73 -10.898 -4.557 -29.320 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.882 -7.370 -27.623 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.903 -8.094 -28.452 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.691 -8.331 -29.800 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -12.084 -8.525 -27.881 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.635 -8.994 -30.555 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -13.028 -9.190 -28.631 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.807 -9.418 -29.971 1.00 0.10 C ATOM 0 H PHE A 73 -12.197 -5.526 -27.740 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.446 -5.465 -26.754 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.898 -7.509 -28.072 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.847 -7.821 -26.631 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.777 -7.993 -30.265 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.270 -8.338 -26.834 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.455 -9.180 -31.603 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.942 -9.533 -28.168 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.552 -9.929 -30.563 1.00 0.10 H new ATOM 1117 N SER A 74 -8.786 -5.245 -29.358 1.00 0.09 N ATOM 1118 CA SER A 74 -8.520 -4.576 -30.607 1.00 0.10 C ATOM 1119 C SER A 74 -8.016 -5.588 -31.613 1.00 0.12 C ATOM 1120 O SER A 74 -7.143 -6.391 -31.300 1.00 0.19 O ATOM 1121 CB SER A 74 -7.494 -3.458 -30.397 1.00 0.15 C ATOM 1122 OG SER A 74 -7.775 -2.714 -29.217 1.00 0.86 O ATOM 0 H SER A 74 -7.998 -5.763 -28.970 1.00 0.09 H new ATOM 0 HA SER A 74 -9.437 -4.125 -30.986 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.494 -3.887 -30.330 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.498 -2.791 -31.259 1.00 0.15 H new ATOM 0 HG SER A 74 -7.495 -3.229 -28.431 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.580 -5.556 -32.806 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.259 -6.542 -33.822 1.00 0.19 C ATOM 1130 C VAL A 75 -7.183 -6.017 -34.774 1.00 0.20 C ATOM 1131 O VAL A 75 -7.457 -5.241 -35.689 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.533 -6.973 -34.595 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.323 -5.765 -35.068 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -9.201 -7.882 -35.769 1.00 0.36 C ATOM 0 H VAL A 75 -9.264 -4.857 -33.096 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.857 -7.424 -33.323 1.00 0.19 H new ATOM 0 HB VAL A 75 -10.151 -7.539 -33.899 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -11.210 -6.098 -35.606 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.624 -5.167 -34.208 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.703 -5.161 -35.730 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -10.120 -8.161 -36.284 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.542 -7.357 -36.461 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.702 -8.780 -35.404 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.948 -6.427 -34.534 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.843 -6.015 -35.373 1.00 0.26 C ATOM 1146 C VAL A 76 -4.254 -7.211 -36.116 1.00 0.25 C ATOM 1147 O VAL A 76 -3.758 -8.164 -35.511 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.749 -5.286 -34.556 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.228 -6.151 -33.416 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.616 -4.835 -35.462 1.00 0.42 C ATOM 0 H VAL A 76 -5.689 -7.044 -33.764 1.00 0.19 H new ATOM 0 HA VAL A 76 -5.232 -5.309 -36.107 1.00 0.26 H new ATOM 0 HB VAL A 76 -4.203 -4.402 -34.108 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.462 -5.605 -32.866 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -4.049 -6.400 -32.744 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.800 -7.068 -33.821 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.857 -4.325 -34.869 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -2.172 -5.703 -35.950 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -3.004 -4.153 -36.218 1.00 0.42 H new ATOM 1160 N THR A 77 -4.344 -7.168 -37.435 1.00 0.34 N ATOM 1161 CA THR A 77 -3.819 -8.233 -38.268 1.00 0.38 C ATOM 1162 C THR A 77 -2.295 -8.234 -38.235 1.00 0.44 C ATOM 1163 O THR A 77 -1.665 -7.206 -38.493 1.00 0.56 O ATOM 1164 CB THR A 77 -4.295 -8.071 -39.724 1.00 0.57 C ATOM 1165 OG1 THR A 77 -5.716 -7.875 -39.749 1.00 0.67 O ATOM 1166 CG2 THR A 77 -3.935 -9.296 -40.554 1.00 0.62 C ATOM 0 H THR A 77 -4.778 -6.403 -37.952 1.00 0.34 H new ATOM 0 HA THR A 77 -4.190 -9.179 -37.874 1.00 0.38 H new ATOM 0 HB THR A 77 -3.795 -7.203 -40.154 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.016 -7.771 -40.676 1.00 0.67 H new ATOM 0 HG21 THR A 77 -4.282 -9.157 -41.578 1.00 0.62 H new ATOM 0 HG22 THR A 77 -2.853 -9.431 -40.553 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.412 -10.178 -40.126 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.707 -9.379 -37.902 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.258 -9.517 -37.928 1.00 0.57 C ATOM 1176 C ASN A 78 0.232 -9.404 -39.361 1.00 0.66 C ATOM 1177 O ASN A 78 -0.078 -10.252 -40.192 1.00 0.70 O ATOM 1178 CB ASN A 78 0.178 -10.860 -37.331 1.00 0.64 C ATOM 1179 CG ASN A 78 0.193 -10.878 -35.808 1.00 1.10 C ATOM 1180 OD1 ASN A 78 -0.684 -10.109 -35.178 1.00 1.82 O flip ATOM 1181 ND2 ASN A 78 0.988 -11.598 -35.200 1.00 1.54 N flip ATOM 0 H ASN A 78 -2.209 -10.219 -37.613 1.00 0.44 H new ATOM 0 HA ASN A 78 0.179 -8.721 -37.324 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.493 -11.641 -37.688 1.00 0.64 H new ATOM 0 HB3 ASN A 78 1.175 -11.104 -37.698 1.00 0.64 H new ATOM 0 HD21 ASN A 78 1.650 -12.177 -35.717 1.00 1.54 H new ATOM 0 HD22 ASN A 78 0.984 -11.614 -34.180 1.00 1.54 H new ATOM 1188 N GLN A 79 0.988 -8.354 -39.644 1.00 0.79 N ATOM 1189 CA GLN A 79 1.441 -8.073 -41.002 1.00 0.91 C ATOM 1190 C GLN A 79 2.255 -9.234 -41.568 1.00 0.94 C ATOM 1191 O GLN A 79 2.227 -9.494 -42.771 1.00 1.06 O ATOM 1192 CB GLN A 79 2.261 -6.776 -41.029 1.00 1.09 C ATOM 1193 CG GLN A 79 3.489 -6.799 -40.129 1.00 1.18 C ATOM 1194 CD GLN A 79 4.177 -5.450 -40.030 1.00 1.43 C ATOM 1195 OE1 GLN A 79 4.130 -4.639 -40.956 1.00 1.95 O ATOM 1196 NE2 GLN A 79 4.819 -5.196 -38.900 1.00 1.90 N ATOM 0 H GLN A 79 1.303 -7.678 -38.948 1.00 0.79 H new ATOM 0 HA GLN A 79 0.561 -7.947 -41.633 1.00 0.91 H new ATOM 0 HB2 GLN A 79 2.578 -6.580 -42.053 1.00 1.09 H new ATOM 0 HB3 GLN A 79 1.620 -5.947 -40.730 1.00 1.09 H new ATOM 0 HG2 GLN A 79 3.195 -7.125 -39.131 1.00 1.18 H new ATOM 0 HG3 GLN A 79 4.197 -7.535 -40.509 1.00 1.18 H new ATOM 0 HE21 GLN A 79 4.836 -5.893 -38.155 1.00 1.90 H new ATOM 0 HE22 GLN A 79 5.297 -4.304 -38.774 1.00 1.90 H new ATOM 1205 N ARG A 80 2.958 -9.942 -40.693 1.00 0.93 N ATOM 1206 CA ARG A 80 3.822 -11.033 -41.121 1.00 1.03 C ATOM 1207 C ARG A 80 3.109 -12.380 -41.024 1.00 1.02 C ATOM 1208 O ARG A 80 3.305 -13.254 -41.863 1.00 1.21 O ATOM 1209 CB ARG A 80 5.082 -11.076 -40.257 1.00 1.18 C ATOM 1210 CG ARG A 80 6.217 -11.879 -40.873 1.00 1.35 C ATOM 1211 CD ARG A 80 7.087 -11.026 -41.789 1.00 1.67 C ATOM 1212 NE ARG A 80 6.322 -10.369 -42.851 1.00 2.41 N ATOM 1213 CZ ARG A 80 6.535 -9.118 -43.259 1.00 3.02 C ATOM 1214 NH1 ARG A 80 7.495 -8.381 -42.711 1.00 3.01 N ATOM 1215 NH2 ARG A 80 5.789 -8.606 -44.227 1.00 3.99 N ATOM 0 H ARG A 80 2.947 -9.781 -39.686 1.00 0.93 H new ATOM 0 HA ARG A 80 4.088 -10.851 -42.162 1.00 1.03 H new ATOM 0 HB2 ARG A 80 5.425 -10.057 -40.078 1.00 1.18 H new ATOM 0 HB3 ARG A 80 4.832 -11.503 -39.286 1.00 1.18 H new ATOM 0 HG2 ARG A 80 6.833 -12.304 -40.080 1.00 1.35 H new ATOM 0 HG3 ARG A 80 5.805 -12.714 -41.439 1.00 1.35 H new ATOM 0 HD2 ARG A 80 7.598 -10.269 -41.195 1.00 1.67 H new ATOM 0 HD3 ARG A 80 7.857 -11.653 -42.238 1.00 1.67 H new ATOM 0 HE ARG A 80 5.581 -10.901 -43.306 1.00 2.41 H new ATOM 0 HH11 ARG A 80 8.078 -8.771 -41.970 1.00 3.01 H new ATOM 0 HH12 ARG A 80 7.649 -7.425 -43.031 1.00 3.01 H new ATOM 0 HH21 ARG A 80 5.055 -9.169 -44.657 1.00 3.99 H new ATOM 0 HH22 ARG A 80 5.949 -7.649 -44.542 1.00 3.99 H new ATOM 1229 N ASN A 81 2.287 -12.539 -39.994 1.00 0.91 N ATOM 1230 CA ASN A 81 1.691 -13.841 -39.684 1.00 1.01 C ATOM 1231 C ASN A 81 0.325 -14.016 -40.339 1.00 0.87 C ATOM 1232 O ASN A 81 -0.144 -15.136 -40.526 1.00 1.04 O ATOM 1233 CB ASN A 81 1.560 -14.014 -38.170 1.00 1.16 C ATOM 1234 CG ASN A 81 2.901 -14.002 -37.463 1.00 1.53 C ATOM 1235 OD1 ASN A 81 2.922 -13.489 -36.242 1.00 1.95 O flip ATOM 1236 ND2 ASN A 81 3.912 -14.443 -38.009 1.00 2.21 N flip ATOM 0 H ASN A 81 2.016 -11.788 -39.359 1.00 0.91 H new ATOM 0 HA ASN A 81 2.355 -14.605 -40.087 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.935 -13.215 -37.770 1.00 1.16 H new ATOM 0 HB3 ASN A 81 1.050 -14.954 -37.958 1.00 1.16 H new ATOM 0 HD21 ASN A 81 3.855 -14.830 -38.951 1.00 2.21 H new ATOM 0 HD22 ASN A 81 4.807 -14.421 -37.520 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.326 -12.909 -40.650 1.00 0.68 N ATOM 1244 CA GLY A 82 -1.618 -12.961 -41.314 1.00 0.69 C ATOM 1245 C GLY A 82 -2.788 -13.116 -40.353 1.00 0.52 C ATOM 1246 O GLY A 82 -3.914 -12.733 -40.673 1.00 0.58 O ATOM 0 H GLY A 82 0.016 -11.968 -40.455 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -1.755 -12.050 -41.897 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -1.623 -13.794 -42.017 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.530 -13.673 -39.174 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.570 -13.821 -38.160 1.00 0.39 C ATOM 1252 C LYS A 83 -3.626 -12.574 -37.294 1.00 0.35 C ATOM 1253 O LYS A 83 -2.624 -11.896 -37.112 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.339 -15.064 -37.289 1.00 0.53 C ATOM 1255 CG LYS A 83 -1.913 -15.218 -36.793 1.00 0.64 C ATOM 1256 CD LYS A 83 -1.817 -16.214 -35.646 1.00 1.01 C ATOM 1257 CE LYS A 83 -0.403 -16.279 -35.083 1.00 1.61 C ATOM 1258 NZ LYS A 83 -0.279 -17.281 -33.990 1.00 2.42 N ATOM 0 H LYS A 83 -1.615 -14.028 -38.897 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.524 -13.951 -38.671 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -4.008 -15.022 -36.430 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -3.611 -15.951 -37.861 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.276 -15.547 -37.614 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -1.536 -14.249 -36.466 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -2.512 -15.930 -34.856 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -2.117 -17.202 -35.994 1.00 1.01 H new ATOM 0 HE2 LYS A 83 0.294 -16.529 -35.883 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -0.118 -15.296 -34.707 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 0.699 -17.291 -33.637 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -0.924 -17.030 -33.214 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -0.525 -18.224 -34.354 1.00 2.42 H new ATOM 1272 N SER A 84 -4.795 -12.260 -36.783 1.00 0.31 N ATOM 1273 CA SER A 84 -4.959 -11.083 -35.954 1.00 0.25 C ATOM 1274 C SER A 84 -4.608 -11.394 -34.497 1.00 0.24 C ATOM 1275 O SER A 84 -4.278 -12.533 -34.156 1.00 0.30 O ATOM 1276 CB SER A 84 -6.396 -10.568 -36.080 1.00 0.27 C ATOM 1277 OG SER A 84 -6.607 -9.399 -35.306 1.00 1.08 O ATOM 0 H SER A 84 -5.647 -12.802 -36.926 1.00 0.31 H new ATOM 0 HA SER A 84 -4.276 -10.305 -36.295 1.00 0.25 H new ATOM 0 HB2 SER A 84 -6.615 -10.355 -37.126 1.00 0.27 H new ATOM 0 HB3 SER A 84 -7.090 -11.345 -35.760 1.00 0.27 H new ATOM 0 HG SER A 84 -6.560 -8.610 -35.886 1.00 1.08 H new ATOM 1283 N SER A 85 -4.674 -10.372 -33.649 1.00 0.20 N ATOM 1284 CA SER A 85 -4.384 -10.507 -32.227 1.00 0.20 C ATOM 1285 C SER A 85 -5.196 -9.477 -31.447 1.00 0.18 C ATOM 1286 O SER A 85 -5.510 -8.416 -31.980 1.00 0.26 O ATOM 1287 CB SER A 85 -2.889 -10.304 -31.966 1.00 0.25 C ATOM 1288 OG SER A 85 -2.113 -11.165 -32.779 1.00 0.87 O ATOM 0 H SER A 85 -4.931 -9.426 -33.930 1.00 0.20 H new ATOM 0 HA SER A 85 -4.657 -11.510 -31.899 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.618 -9.267 -32.165 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.670 -10.494 -30.915 1.00 0.25 H new ATOM 0 HG SER A 85 -1.694 -10.647 -33.498 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.554 -9.802 -30.208 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.334 -8.904 -29.371 1.00 0.12 C ATOM 1296 C ALA A 86 -5.419 -8.027 -28.528 1.00 0.13 C ATOM 1297 O ALA A 86 -4.597 -8.523 -27.760 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.281 -9.700 -28.482 1.00 0.13 C ATOM 0 H ALA A 86 -5.313 -10.687 -29.762 1.00 0.14 H new ATOM 0 HA ALA A 86 -6.927 -8.256 -30.017 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.859 -9.015 -27.861 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -7.958 -10.285 -29.104 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.704 -10.370 -27.844 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.555 -6.724 -28.690 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.775 -5.776 -27.913 1.00 0.17 C ATOM 1306 C CYS A 87 -5.698 -4.923 -27.060 1.00 0.17 C ATOM 1307 O CYS A 87 -6.807 -4.594 -27.482 1.00 0.21 O ATOM 1308 CB CYS A 87 -3.946 -4.896 -28.850 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.610 -5.778 -29.694 1.00 0.68 S ATOM 0 H CYS A 87 -6.200 -6.296 -29.354 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.098 -6.320 -27.255 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.606 -4.455 -29.597 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.519 -4.073 -28.277 1.00 0.22 H new ATOM 0 HG CYS A 87 -1.966 -4.954 -30.466 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.234 -4.584 -25.863 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.036 -3.846 -24.892 1.00 0.20 C ATOM 1317 C ASN A 88 -7.319 -4.606 -24.579 1.00 0.18 C ATOM 1318 O ASN A 88 -8.402 -4.236 -25.028 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.359 -2.428 -25.386 1.00 0.27 C ATOM 1320 CG ASN A 88 -5.118 -1.580 -25.592 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -4.093 -1.787 -24.945 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -5.204 -0.611 -26.490 1.00 1.60 N ATOM 0 H ASN A 88 -4.294 -4.812 -25.538 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.448 -3.751 -23.979 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -6.910 -2.492 -26.324 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.013 -1.937 -24.665 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -4.402 -0.005 -26.665 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -6.072 -0.470 -27.007 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.174 -5.688 -23.828 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.292 -6.544 -23.479 1.00 0.15 C ATOM 1331 C VAL A 89 -8.900 -6.105 -22.156 1.00 0.19 C ATOM 1332 O VAL A 89 -8.336 -6.332 -21.089 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.853 -8.022 -23.388 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -9.018 -8.917 -22.976 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.259 -8.490 -24.707 1.00 0.14 C ATOM 0 H VAL A 89 -6.279 -5.994 -23.446 1.00 0.14 H new ATOM 0 HA VAL A 89 -9.041 -6.455 -24.266 1.00 0.15 H new ATOM 0 HB VAL A 89 -7.084 -8.095 -22.619 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.680 -9.952 -22.920 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.390 -8.604 -22.001 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.817 -8.836 -23.713 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -6.957 -9.534 -24.620 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.004 -8.393 -25.497 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.390 -7.880 -24.951 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.049 -5.464 -22.242 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.730 -4.944 -21.073 1.00 0.16 C ATOM 1347 C LEU A 90 -11.935 -5.796 -20.731 1.00 0.11 C ATOM 1348 O LEU A 90 -12.557 -6.400 -21.606 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.145 -3.486 -21.290 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.081 -2.427 -20.954 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -8.840 -2.582 -21.825 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -10.662 -1.026 -21.100 1.00 1.12 C ATOM 0 H LEU A 90 -10.535 -5.289 -23.121 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.036 -4.980 -20.233 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.436 -3.363 -22.333 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.031 -3.287 -20.687 1.00 0.26 H new ATOM 0 HG LEU A 90 -9.778 -2.578 -19.918 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -8.111 -1.817 -21.559 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -8.405 -3.569 -21.666 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -9.115 -2.472 -22.874 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -9.897 -0.288 -20.859 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -10.999 -0.877 -22.126 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -11.506 -0.909 -20.420 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.250 -5.862 -19.451 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.313 -6.730 -18.987 1.00 0.18 C ATOM 1366 C LYS A 91 -14.661 -6.030 -19.079 1.00 0.18 C ATOM 1367 O LYS A 91 -15.011 -5.221 -18.226 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.067 -7.170 -17.540 1.00 0.27 C ATOM 1369 CG LYS A 91 -13.147 -8.675 -17.316 1.00 0.45 C ATOM 1370 CD LYS A 91 -14.362 -9.294 -17.988 1.00 0.59 C ATOM 1371 CE LYS A 91 -15.682 -8.743 -17.450 1.00 0.71 C ATOM 1372 NZ LYS A 91 -16.026 -9.284 -16.106 1.00 1.33 N ATOM 0 H LYS A 91 -11.786 -5.327 -18.717 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.323 -7.610 -19.630 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.082 -6.821 -17.230 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -13.797 -6.680 -16.895 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -12.242 -9.146 -17.701 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -13.183 -8.880 -16.246 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -14.309 -9.113 -19.062 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -14.339 -10.374 -17.845 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.622 -7.656 -17.395 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -16.483 -8.983 -18.149 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -16.396 -8.518 -15.508 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -16.749 -10.025 -16.205 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -15.174 -9.687 -15.666 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.426 -6.397 -20.090 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.735 -5.817 -20.319 1.00 0.18 C ATOM 1388 C ILE A 92 -17.788 -6.548 -19.492 1.00 0.27 C ATOM 1389 O ILE A 92 -18.002 -7.750 -19.649 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.107 -5.885 -21.816 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.098 -5.093 -22.655 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.519 -5.372 -22.048 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.079 -3.624 -22.331 1.00 0.16 C ATOM 0 H ILE A 92 -15.158 -7.104 -20.774 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.703 -4.771 -20.014 1.00 0.18 H new ATOM 0 HB ILE A 92 -17.073 -6.928 -22.129 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.102 -5.506 -22.498 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.333 -5.222 -23.711 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.757 -5.430 -23.110 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.225 -5.982 -21.484 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.589 -4.336 -21.717 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.344 -3.122 -22.960 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -17.065 -3.198 -22.515 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.814 -3.486 -21.283 1.00 0.16 H new