USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 661 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 64 CYS SG : rot 108:sc= 0.021 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.309 K(o=-0.29,f=-2.8!) USER MOD Single : A 24 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.32) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.806 X(o=-0.81,f=-0.69) USER MOD Single : A 38 THR OG1 : rot 26:sc= 0.43 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -82:sc= 0.547 USER MOD Single : A 43 GLN : amide:sc= -1.2 K(o=-1.2,f=-1.7) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.651 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0578 X(o=-0.058,f=-0.31) USER MOD Single : A 67 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.32) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 161:sc= -0.182 (180deg=-0.964) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -1 K(o=-1,f=-2.5) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.58 K(o=-1.6,f=-5.6!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.897 X(o=-0.9,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 325 N ASN A 24 -5.258 -5.721 8.583 1.00 0.00 N ATOM 326 CA ASN A 24 -4.253 -4.743 8.186 1.00 0.00 C ATOM 327 C ASN A 24 -3.346 -5.307 7.096 1.00 0.00 C ATOM 328 O ASN A 24 -2.592 -6.252 7.329 1.00 0.00 O ATOM 329 CB ASN A 24 -3.415 -4.322 9.396 1.00 0.00 C ATOM 330 CG ASN A 24 -2.895 -5.512 10.180 1.00 0.00 C ATOM 331 OD1 ASN A 24 -3.623 -6.115 10.969 1.00 0.00 O ATOM 332 ND2 ASN A 24 -1.630 -5.854 9.966 1.00 0.00 N ATOM 0 HA ASN A 24 -4.769 -3.869 7.788 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.574 -3.716 9.059 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.018 -3.694 10.051 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.224 -6.646 10.465 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.064 -5.325 9.302 1.00 0.00 H new ATOM 339 N TYR A 25 -3.424 -4.720 5.908 1.00 0.00 N ATOM 340 CA TYR A 25 -2.612 -5.165 4.780 1.00 0.00 C ATOM 341 C TYR A 25 -1.402 -4.256 4.590 1.00 0.00 C ATOM 342 O TYR A 25 -0.402 -4.653 3.988 1.00 0.00 O ATOM 343 CB TYR A 25 -3.450 -5.192 3.500 1.00 0.00 C ATOM 344 CG TYR A 25 -3.785 -6.588 3.027 1.00 0.00 C ATOM 345 CD1 TYR A 25 -4.871 -7.278 3.552 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.017 -7.216 2.055 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.181 -8.554 3.122 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.322 -8.491 1.618 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.405 -9.156 2.156 1.00 0.00 C ATOM 350 OH TYR A 25 -4.709 -10.426 1.724 1.00 0.00 O ATOM 0 H TYR A 25 -4.041 -3.935 5.700 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.257 -6.173 4.995 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.376 -4.643 3.670 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.910 -4.669 2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.483 -6.809 4.309 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.167 -6.699 1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.028 -9.077 3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.716 -8.964 0.860 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.064 -10.702 1.040 1.00 0.00 H new ATOM 360 N ILE A 26 -1.496 -3.038 5.109 1.00 0.00 N ATOM 361 CA ILE A 26 -0.409 -2.073 4.998 1.00 0.00 C ATOM 362 C ILE A 26 -0.403 -1.113 6.183 1.00 0.00 C ATOM 363 O ILE A 26 -1.392 -0.428 6.445 1.00 0.00 O ATOM 364 CB ILE A 26 -0.508 -1.259 3.693 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.948 -0.801 3.461 1.00 0.00 C ATOM 366 CG2 ILE A 26 -0.012 -2.087 2.516 1.00 0.00 C ATOM 367 CD1 ILE A 26 -2.053 0.503 2.702 1.00 0.00 C ATOM 0 H ILE A 26 -2.315 -2.695 5.611 1.00 0.00 H new ATOM 0 HA ILE A 26 0.519 -2.644 4.991 1.00 0.00 H new ATOM 0 HB ILE A 26 0.123 -0.375 3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.483 -1.576 2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.446 -0.692 4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.087 -1.500 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.028 -2.369 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.621 -2.986 2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.103 0.766 2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.547 1.291 3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.585 0.393 1.724 1.00 0.00 H new ATOM 379 N HIS A 27 0.719 -1.067 6.893 1.00 0.00 N ATOM 380 CA HIS A 27 0.855 -0.189 8.050 1.00 0.00 C ATOM 381 C HIS A 27 1.617 1.081 7.682 1.00 0.00 C ATOM 382 O HIS A 27 2.594 1.035 6.933 1.00 0.00 O ATOM 383 CB HIS A 27 1.573 -0.916 9.189 1.00 0.00 C ATOM 384 CG HIS A 27 1.544 -0.171 10.487 1.00 0.00 C ATOM 385 ND1 HIS A 27 0.863 -0.620 11.598 1.00 0.00 N ATOM 386 CD2 HIS A 27 2.122 1.000 10.850 1.00 0.00 C ATOM 387 CE1 HIS A 27 1.020 0.241 12.587 1.00 0.00 C ATOM 388 NE2 HIS A 27 1.779 1.233 12.160 1.00 0.00 N ATOM 0 H HIS A 27 1.547 -1.627 6.688 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.145 0.091 8.381 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.114 -1.894 9.331 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.610 -1.089 8.902 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.322 -1.483 11.648 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.737 1.632 10.226 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.599 0.149 13.577 1.00 0.00 H new ATOM 396 N ILE A 28 1.163 2.212 8.211 1.00 0.00 N ATOM 397 CA ILE A 28 1.801 3.493 7.936 1.00 0.00 C ATOM 398 C ILE A 28 1.768 4.399 9.163 1.00 0.00 C ATOM 399 O ILE A 28 0.703 4.855 9.580 1.00 0.00 O ATOM 400 CB ILE A 28 1.125 4.220 6.758 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.587 3.205 5.746 1.00 0.00 C ATOM 402 CG2 ILE A 28 2.105 5.173 6.090 1.00 0.00 C ATOM 403 CD1 ILE A 28 -0.030 3.843 4.521 1.00 0.00 C ATOM 0 H ILE A 28 0.356 2.267 8.832 1.00 0.00 H new ATOM 0 HA ILE A 28 2.837 3.278 7.673 1.00 0.00 H new ATOM 0 HB ILE A 28 0.287 4.802 7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.400 2.549 5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.159 2.578 6.234 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.612 5.679 5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.445 5.912 6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.961 4.611 5.716 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.390 3.065 3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.864 4.477 4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.719 4.448 4.009 1.00 0.00 H new ATOM 415 N ARG A 29 2.939 4.653 9.736 1.00 0.00 N ATOM 416 CA ARG A 29 3.045 5.504 10.915 1.00 0.00 C ATOM 417 C ARG A 29 4.037 6.639 10.679 1.00 0.00 C ATOM 418 O ARG A 29 5.251 6.426 10.675 1.00 0.00 O ATOM 419 CB ARG A 29 3.476 4.679 12.128 1.00 0.00 C ATOM 420 CG ARG A 29 3.827 5.521 13.343 1.00 0.00 C ATOM 421 CD ARG A 29 3.975 4.664 14.592 1.00 0.00 C ATOM 422 NE ARG A 29 5.339 4.690 15.115 1.00 0.00 N ATOM 423 CZ ARG A 29 5.736 3.986 16.169 1.00 0.00 C ATOM 424 NH1 ARG A 29 4.878 3.204 16.809 1.00 0.00 N ATOM 425 NH2 ARG A 29 6.994 4.063 16.584 1.00 0.00 N ATOM 0 H ARG A 29 3.829 4.281 9.403 1.00 0.00 H new ATOM 0 HA ARG A 29 2.064 5.937 11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.673 3.991 12.393 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.339 4.072 11.856 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.757 6.059 13.158 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.052 6.270 13.504 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.286 5.018 15.359 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.694 3.636 14.362 1.00 0.00 H new ATOM 0 HE ARG A 29 6.024 5.281 14.645 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.910 3.142 16.492 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.185 2.664 17.618 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.657 4.663 16.094 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.298 3.522 17.394 1.00 0.00 H new ATOM 439 N ILE A 30 3.514 7.845 10.484 1.00 0.00 N ATOM 440 CA ILE A 30 4.355 9.012 10.249 1.00 0.00 C ATOM 441 C ILE A 30 4.833 9.619 11.563 1.00 0.00 C ATOM 442 O ILE A 30 4.369 9.238 12.639 1.00 0.00 O ATOM 443 CB ILE A 30 3.606 10.091 9.441 1.00 0.00 C ATOM 444 CG1 ILE A 30 2.765 10.964 10.373 1.00 0.00 C ATOM 445 CG2 ILE A 30 2.731 9.443 8.378 1.00 0.00 C ATOM 446 CD1 ILE A 30 1.751 10.184 11.180 1.00 0.00 C ATOM 0 H ILE A 30 2.513 8.039 10.484 1.00 0.00 H new ATOM 0 HA ILE A 30 5.216 8.670 9.675 1.00 0.00 H new ATOM 0 HB ILE A 30 4.338 10.726 8.943 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.428 11.497 11.055 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.245 11.717 9.781 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.208 10.217 7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.354 8.860 7.700 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.003 8.788 8.856 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.191 10.867 11.818 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.064 9.673 10.505 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.266 9.449 11.799 1.00 0.00 H new ATOM 583 N THR A 38 10.889 15.426 8.115 1.00 0.00 N ATOM 584 CA THR A 38 9.700 14.585 8.082 1.00 0.00 C ATOM 585 C THR A 38 10.057 13.143 7.739 1.00 0.00 C ATOM 586 O THR A 38 10.766 12.883 6.766 1.00 0.00 O ATOM 587 CB THR A 38 8.672 15.105 7.058 1.00 0.00 C ATOM 588 OG1 THR A 38 8.702 16.536 7.019 1.00 0.00 O ATOM 589 CG2 THR A 38 7.270 14.631 7.411 1.00 0.00 C ATOM 0 HA THR A 38 9.259 14.621 9.078 1.00 0.00 H new ATOM 0 HB THR A 38 8.936 14.709 6.077 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.588 16.852 7.293 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.562 15.010 6.675 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.244 13.541 7.412 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.999 15.001 8.400 1.00 0.00 H new ATOM 597 N LEU A 39 9.560 12.209 8.543 1.00 0.00 N ATOM 598 CA LEU A 39 9.825 10.791 8.323 1.00 0.00 C ATOM 599 C LEU A 39 8.531 9.985 8.344 1.00 0.00 C ATOM 600 O LEU A 39 7.571 10.350 9.026 1.00 0.00 O ATOM 601 CB LEU A 39 10.788 10.262 9.388 1.00 0.00 C ATOM 602 CG LEU A 39 12.171 10.912 9.425 1.00 0.00 C ATOM 603 CD1 LEU A 39 12.146 12.171 10.279 1.00 0.00 C ATOM 604 CD2 LEU A 39 13.208 9.930 9.950 1.00 0.00 C ATOM 0 H LEU A 39 8.972 12.408 9.352 1.00 0.00 H new ATOM 0 HA LEU A 39 10.283 10.680 7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.323 10.389 10.365 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.916 9.191 9.233 1.00 0.00 H new ATOM 0 HG LEU A 39 12.447 11.192 8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.139 12.620 10.294 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.433 12.881 9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.848 11.915 11.296 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.186 10.410 9.969 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.936 9.619 10.959 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.245 9.057 9.298 1.00 0.00 H new ATOM 616 N THR A 40 8.511 8.886 7.597 1.00 0.00 N ATOM 617 CA THR A 40 7.335 8.027 7.532 1.00 0.00 C ATOM 618 C THR A 40 7.730 6.555 7.515 1.00 0.00 C ATOM 619 O THR A 40 8.560 6.133 6.709 1.00 0.00 O ATOM 620 CB THR A 40 6.485 8.333 6.285 1.00 0.00 C ATOM 621 OG1 THR A 40 7.333 8.698 5.191 1.00 0.00 O ATOM 622 CG2 THR A 40 5.498 9.458 6.567 1.00 0.00 C ATOM 0 H THR A 40 9.296 8.569 7.028 1.00 0.00 H new ATOM 0 HA THR A 40 6.744 8.231 8.425 1.00 0.00 H new ATOM 0 HB THR A 40 5.925 7.435 6.024 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.785 8.889 4.402 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.908 9.657 5.672 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.835 9.165 7.381 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.044 10.358 6.850 1.00 0.00 H new ATOM 630 N THR A 41 7.130 5.775 8.410 1.00 0.00 N ATOM 631 CA THR A 41 7.420 4.349 8.496 1.00 0.00 C ATOM 632 C THR A 41 6.339 3.525 7.805 1.00 0.00 C ATOM 633 O THR A 41 5.183 3.942 7.723 1.00 0.00 O ATOM 634 CB THR A 41 7.541 3.889 9.961 1.00 0.00 C ATOM 635 OG1 THR A 41 6.281 4.035 10.627 1.00 0.00 O ATOM 636 CG2 THR A 41 8.603 4.694 10.695 1.00 0.00 C ATOM 0 H THR A 41 6.441 6.107 9.085 1.00 0.00 H new ATOM 0 HA THR A 41 8.373 4.189 7.992 1.00 0.00 H new ATOM 0 HB THR A 41 7.835 2.839 9.965 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.173 4.963 10.923 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.670 4.351 11.728 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.567 4.558 10.204 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.334 5.750 10.680 1.00 0.00 H new ATOM 644 N VAL A 42 6.722 2.354 7.308 1.00 0.00 N ATOM 645 CA VAL A 42 5.784 1.470 6.624 1.00 0.00 C ATOM 646 C VAL A 42 6.099 0.007 6.912 1.00 0.00 C ATOM 647 O VAL A 42 7.253 -0.354 7.148 1.00 0.00 O ATOM 648 CB VAL A 42 5.806 1.699 5.102 1.00 0.00 C ATOM 649 CG1 VAL A 42 7.147 1.284 4.518 1.00 0.00 C ATOM 650 CG2 VAL A 42 4.668 0.942 4.433 1.00 0.00 C ATOM 0 H VAL A 42 7.675 1.995 7.366 1.00 0.00 H new ATOM 0 HA VAL A 42 4.790 1.706 7.005 1.00 0.00 H new ATOM 0 HB VAL A 42 5.667 2.763 4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.143 1.453 3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.941 1.874 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.319 0.227 4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.699 1.115 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.774 -0.124 4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.715 1.292 4.830 1.00 0.00 H new ATOM 660 N GLN A 43 5.069 -0.831 6.889 1.00 0.00 N ATOM 661 CA GLN A 43 5.236 -2.256 7.147 1.00 0.00 C ATOM 662 C GLN A 43 4.254 -3.078 6.320 1.00 0.00 C ATOM 663 O GLN A 43 3.284 -2.548 5.779 1.00 0.00 O ATOM 664 CB GLN A 43 5.041 -2.553 8.635 1.00 0.00 C ATOM 665 CG GLN A 43 5.589 -3.904 9.063 1.00 0.00 C ATOM 666 CD GLN A 43 4.514 -4.970 9.145 1.00 0.00 C ATOM 667 OE1 GLN A 43 4.630 -6.034 8.536 1.00 0.00 O ATOM 668 NE2 GLN A 43 3.458 -4.690 9.900 1.00 0.00 N ATOM 0 H GLN A 43 4.109 -0.548 6.694 1.00 0.00 H new ATOM 0 HA GLN A 43 6.249 -2.535 6.858 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.527 -1.772 9.219 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.977 -2.511 8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.356 -4.221 8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.072 -3.805 10.035 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.402 -3.796 10.388 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.703 -5.369 9.992 1.00 0.00 H new ATOM 677 N GLY A 44 4.511 -4.380 6.225 1.00 0.00 N ATOM 678 CA GLY A 44 3.641 -5.255 5.462 1.00 0.00 C ATOM 679 C GLY A 44 4.245 -5.656 4.131 1.00 0.00 C ATOM 680 O GLY A 44 3.570 -6.248 3.289 1.00 0.00 O ATOM 0 H GLY A 44 5.307 -4.844 6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.429 -6.151 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.688 -4.754 5.289 1.00 0.00 H new ATOM 684 N VAL A 45 5.519 -5.332 3.940 1.00 0.00 N ATOM 685 CA VAL A 45 6.215 -5.661 2.702 1.00 0.00 C ATOM 686 C VAL A 45 6.313 -7.171 2.511 1.00 0.00 C ATOM 687 O VAL A 45 6.670 -7.914 3.425 1.00 0.00 O ATOM 688 CB VAL A 45 7.631 -5.057 2.675 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.329 -5.388 1.364 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.574 -3.553 2.892 1.00 0.00 C ATOM 0 H VAL A 45 6.091 -4.841 4.627 1.00 0.00 H new ATOM 0 HA VAL A 45 5.631 -5.232 1.888 1.00 0.00 H new ATOM 0 HB VAL A 45 8.209 -5.497 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.328 -4.953 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.405 -6.470 1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.755 -4.979 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.584 -3.144 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.979 -3.094 2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.118 -3.342 3.859 1.00 0.00 H new ATOM 700 N PRO A 46 5.991 -7.636 1.295 1.00 0.00 N ATOM 701 CA PRO A 46 6.038 -9.062 0.956 1.00 0.00 C ATOM 702 C PRO A 46 7.463 -9.596 0.891 1.00 0.00 C ATOM 703 O PRO A 46 8.425 -8.848 1.063 1.00 0.00 O ATOM 704 CB PRO A 46 5.381 -9.119 -0.426 1.00 0.00 C ATOM 705 CG PRO A 46 5.595 -7.761 -1.003 1.00 0.00 C ATOM 706 CD PRO A 46 5.557 -6.808 0.158 1.00 0.00 C ATOM 0 HA PRO A 46 5.540 -9.676 1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.835 -9.890 -1.049 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.319 -9.354 -0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.551 -7.704 -1.523 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.821 -7.520 -1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.222 -5.959 0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.556 -6.405 0.314 1.00 0.00 H new ATOM 714 N GLU A 47 7.593 -10.895 0.639 1.00 0.00 N ATOM 715 CA GLU A 47 8.903 -11.529 0.551 1.00 0.00 C ATOM 716 C GLU A 47 9.595 -11.170 -0.762 1.00 0.00 C ATOM 717 O GLU A 47 10.820 -11.088 -0.827 1.00 0.00 O ATOM 718 CB GLU A 47 8.768 -13.048 0.670 1.00 0.00 C ATOM 719 CG GLU A 47 9.973 -13.718 1.311 1.00 0.00 C ATOM 720 CD GLU A 47 9.891 -13.737 2.825 1.00 0.00 C ATOM 721 OE1 GLU A 47 9.225 -14.641 3.373 1.00 0.00 O ATOM 722 OE2 GLU A 47 10.493 -12.847 3.462 1.00 0.00 O ATOM 0 H GLU A 47 6.807 -11.528 0.492 1.00 0.00 H new ATOM 0 HA GLU A 47 9.513 -11.160 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.879 -13.281 1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.614 -13.470 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.055 -14.740 0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.880 -13.196 1.006 1.00 0.00 H new ATOM 729 N GLU A 48 8.797 -10.957 -1.804 1.00 0.00 N ATOM 730 CA GLU A 48 9.332 -10.608 -3.115 1.00 0.00 C ATOM 731 C GLU A 48 10.132 -9.310 -3.049 1.00 0.00 C ATOM 732 O GLU A 48 10.930 -9.013 -3.939 1.00 0.00 O ATOM 733 CB GLU A 48 8.200 -10.471 -4.134 1.00 0.00 C ATOM 734 CG GLU A 48 8.329 -11.412 -5.320 1.00 0.00 C ATOM 735 CD GLU A 48 7.308 -11.128 -6.405 1.00 0.00 C ATOM 736 OE1 GLU A 48 6.103 -11.344 -6.155 1.00 0.00 O ATOM 737 OE2 GLU A 48 7.713 -10.690 -7.501 1.00 0.00 O ATOM 0 H GLU A 48 7.780 -11.020 -1.766 1.00 0.00 H new ATOM 0 HA GLU A 48 9.999 -11.410 -3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.249 -10.658 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.173 -9.444 -4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.332 -11.327 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.213 -12.440 -4.977 1.00 0.00 H new ATOM 744 N TYR A 49 9.911 -8.540 -1.990 1.00 0.00 N ATOM 745 CA TYR A 49 10.606 -7.273 -1.808 1.00 0.00 C ATOM 746 C TYR A 49 11.264 -7.204 -0.431 1.00 0.00 C ATOM 747 O TYR A 49 10.593 -7.004 0.580 1.00 0.00 O ATOM 748 CB TYR A 49 9.635 -6.103 -1.978 1.00 0.00 C ATOM 749 CG TYR A 49 10.222 -4.932 -2.732 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.798 -5.105 -3.986 1.00 0.00 C ATOM 751 CD2 TYR A 49 10.201 -3.652 -2.193 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.338 -4.039 -4.677 1.00 0.00 C ATOM 753 CE2 TYR A 49 10.737 -2.579 -2.878 1.00 0.00 C ATOM 754 CZ TYR A 49 11.305 -2.777 -4.119 1.00 0.00 C ATOM 755 OH TYR A 49 11.840 -1.712 -4.806 1.00 0.00 O ATOM 0 H TYR A 49 9.255 -8.772 -1.244 1.00 0.00 H new ATOM 0 HA TYR A 49 11.384 -7.204 -2.568 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.746 -6.453 -2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.311 -5.765 -0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.823 -6.091 -4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.758 -3.493 -1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.784 -4.192 -5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.711 -1.590 -2.444 1.00 0.00 H new ATOM 0 HH TYR A 49 11.531 -0.874 -4.402 1.00 0.00 H new ATOM 765 N ASP A 50 12.581 -7.371 -0.405 1.00 0.00 N ATOM 766 CA ASP A 50 13.333 -7.327 0.845 1.00 0.00 C ATOM 767 C ASP A 50 13.719 -5.894 1.196 1.00 0.00 C ATOM 768 O ASP A 50 13.400 -4.956 0.463 1.00 0.00 O ATOM 769 CB ASP A 50 14.586 -8.195 0.742 1.00 0.00 C ATOM 770 CG ASP A 50 14.622 -9.287 1.793 1.00 0.00 C ATOM 771 OD1 ASP A 50 13.801 -10.225 1.703 1.00 0.00 O ATOM 772 OD2 ASP A 50 15.472 -9.205 2.705 1.00 0.00 O ATOM 0 H ASP A 50 13.151 -7.538 -1.234 1.00 0.00 H new ATOM 0 HA ASP A 50 12.695 -7.717 1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.631 -8.647 -0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.470 -7.566 0.846 1.00 0.00 H new ATOM 777 N LEU A 51 14.406 -5.731 2.322 1.00 0.00 N ATOM 778 CA LEU A 51 14.835 -4.411 2.773 1.00 0.00 C ATOM 779 C LEU A 51 15.946 -3.867 1.880 1.00 0.00 C ATOM 780 O LEU A 51 16.125 -2.654 1.762 1.00 0.00 O ATOM 781 CB LEU A 51 15.314 -4.477 4.223 1.00 0.00 C ATOM 782 CG LEU A 51 14.259 -4.193 5.293 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.743 -2.767 5.168 1.00 0.00 C ATOM 784 CD2 LEU A 51 13.113 -5.189 5.188 1.00 0.00 C ATOM 0 H LEU A 51 14.678 -6.496 2.939 1.00 0.00 H new ATOM 0 HA LEU A 51 13.981 -3.736 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.727 -5.470 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.130 -3.765 4.348 1.00 0.00 H new ATOM 0 HG LEU A 51 14.722 -4.305 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.993 -2.583 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.570 -2.068 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.295 -2.627 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.371 -4.972 5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.650 -5.109 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.496 -6.200 5.328 1.00 0.00 H new ATOM 796 N LYS A 52 16.691 -4.772 1.254 1.00 0.00 N ATOM 797 CA LYS A 52 17.784 -4.384 0.370 1.00 0.00 C ATOM 798 C LYS A 52 17.254 -3.962 -0.998 1.00 0.00 C ATOM 799 O LYS A 52 17.809 -3.070 -1.640 1.00 0.00 O ATOM 800 CB LYS A 52 18.774 -5.540 0.211 1.00 0.00 C ATOM 801 CG LYS A 52 20.046 -5.155 -0.522 1.00 0.00 C ATOM 802 CD LYS A 52 21.241 -5.950 -0.021 1.00 0.00 C ATOM 803 CE LYS A 52 22.487 -5.660 -0.844 1.00 0.00 C ATOM 804 NZ LYS A 52 23.499 -4.891 -0.068 1.00 0.00 N ATOM 0 H LYS A 52 16.558 -5.779 1.343 1.00 0.00 H new ATOM 0 HA LYS A 52 18.297 -3.534 0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.035 -5.922 1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.287 -6.353 -0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.917 -5.325 -1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.235 -4.090 -0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.429 -5.706 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 52 21.015 -7.015 -0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.925 -6.599 -1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.210 -5.098 -1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.332 -4.714 -0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.090 -3.984 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.783 -5.438 0.770 1.00 0.00 H new ATOM 818 N ARG A 53 16.179 -4.608 -1.435 1.00 0.00 N ATOM 819 CA ARG A 53 15.575 -4.300 -2.726 1.00 0.00 C ATOM 820 C ARG A 53 14.811 -2.981 -2.667 1.00 0.00 C ATOM 821 O ARG A 53 14.774 -2.228 -3.641 1.00 0.00 O ATOM 822 CB ARG A 53 14.635 -5.428 -3.155 1.00 0.00 C ATOM 823 CG ARG A 53 14.323 -5.428 -4.643 1.00 0.00 C ATOM 824 CD ARG A 53 15.468 -6.021 -5.452 1.00 0.00 C ATOM 825 NE ARG A 53 15.239 -7.426 -5.776 1.00 0.00 N ATOM 826 CZ ARG A 53 16.114 -8.182 -6.426 1.00 0.00 C ATOM 827 NH1 ARG A 53 17.274 -7.671 -6.820 1.00 0.00 N ATOM 828 NH2 ARG A 53 15.834 -9.453 -6.684 1.00 0.00 N ATOM 0 H ARG A 53 15.708 -5.348 -0.915 1.00 0.00 H new ATOM 0 HA ARG A 53 16.375 -4.204 -3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.083 -6.385 -2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.702 -5.345 -2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.413 -6.000 -4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.131 -4.408 -4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.593 -5.452 -6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.397 -5.925 -4.890 1.00 0.00 H new ATOM 0 HE ARG A 53 14.357 -7.850 -5.487 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.494 -6.695 -6.623 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.945 -8.255 -7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.944 -9.851 -6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.508 -10.032 -7.184 1.00 0.00 H new ATOM 842 N ILE A 54 14.202 -2.707 -1.518 1.00 0.00 N ATOM 843 CA ILE A 54 13.439 -1.479 -1.333 1.00 0.00 C ATOM 844 C ILE A 54 14.359 -0.299 -1.038 1.00 0.00 C ATOM 845 O ILE A 54 14.076 0.836 -1.423 1.00 0.00 O ATOM 846 CB ILE A 54 12.418 -1.617 -0.188 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.545 -0.365 -0.100 1.00 0.00 C ATOM 848 CG2 ILE A 54 13.132 -1.866 1.132 1.00 0.00 C ATOM 849 CD1 ILE A 54 10.083 -0.663 0.150 1.00 0.00 C ATOM 0 H ILE A 54 14.222 -3.319 -0.702 1.00 0.00 H new ATOM 0 HA ILE A 54 12.905 -1.297 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 54 11.774 -2.471 -0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.919 0.273 0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.639 0.199 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.397 -1.961 1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.714 -2.785 1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.797 -1.030 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.525 0.272 0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.692 -1.276 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.977 -1.200 1.092 1.00 0.00 H new ATOM 861 N LEU A 55 15.463 -0.575 -0.353 1.00 0.00 N ATOM 862 CA LEU A 55 16.428 0.464 -0.007 1.00 0.00 C ATOM 863 C LEU A 55 17.285 0.835 -1.213 1.00 0.00 C ATOM 864 O LEU A 55 17.752 1.967 -1.332 1.00 0.00 O ATOM 865 CB LEU A 55 17.323 -0.007 1.142 1.00 0.00 C ATOM 866 CG LEU A 55 18.614 0.784 1.353 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.305 2.250 1.615 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.418 0.194 2.502 1.00 0.00 C ATOM 0 H LEU A 55 15.713 -1.508 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 55 15.875 1.349 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.744 0.028 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.584 -1.051 0.968 1.00 0.00 H new ATOM 0 HG LEU A 55 19.212 0.716 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 55 19.236 2.797 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.770 2.667 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.687 2.338 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.334 0.769 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.826 0.231 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.671 -0.842 2.275 1.00 0.00 H new ATOM 880 N LYS A 56 17.485 -0.127 -2.108 1.00 0.00 N ATOM 881 CA LYS A 56 18.282 0.099 -3.309 1.00 0.00 C ATOM 882 C LYS A 56 17.462 0.809 -4.381 1.00 0.00 C ATOM 883 O LYS A 56 17.971 1.675 -5.094 1.00 0.00 O ATOM 884 CB LYS A 56 18.809 -1.231 -3.854 1.00 0.00 C ATOM 885 CG LYS A 56 19.908 -1.072 -4.889 1.00 0.00 C ATOM 886 CD LYS A 56 20.621 -2.387 -5.154 1.00 0.00 C ATOM 887 CE LYS A 56 19.788 -3.305 -6.036 1.00 0.00 C ATOM 888 NZ LYS A 56 19.880 -2.926 -7.473 1.00 0.00 N ATOM 0 H LYS A 56 17.106 -1.070 -2.025 1.00 0.00 H new ATOM 0 HA LYS A 56 19.125 0.735 -3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.186 -1.830 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.982 -1.786 -4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.481 -0.695 -5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.628 -0.330 -4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.580 -2.192 -5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.833 -2.884 -4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.125 -4.334 -5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 56 18.746 -3.269 -5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 19.299 -3.575 -8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 19.535 -1.953 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 20.870 -2.985 -7.785 1.00 0.00 H new ATOM 902 N VAL A 57 16.190 0.441 -4.489 1.00 0.00 N ATOM 903 CA VAL A 57 15.299 1.045 -5.471 1.00 0.00 C ATOM 904 C VAL A 57 14.869 2.443 -5.037 1.00 0.00 C ATOM 905 O VAL A 57 14.768 3.356 -5.857 1.00 0.00 O ATOM 906 CB VAL A 57 14.043 0.181 -5.698 1.00 0.00 C ATOM 907 CG1 VAL A 57 13.049 0.907 -6.592 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.425 -1.165 -6.295 1.00 0.00 C ATOM 0 H VAL A 57 15.753 -0.274 -3.907 1.00 0.00 H new ATOM 0 HA VAL A 57 15.857 1.113 -6.405 1.00 0.00 H new ATOM 0 HB VAL A 57 13.566 0.004 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.169 0.281 -6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.753 1.844 -6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.512 1.117 -7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.527 -1.763 -6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.926 -1.010 -7.251 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.096 -1.688 -5.614 1.00 0.00 H new ATOM 918 N LEU A 58 14.615 2.603 -3.743 1.00 0.00 N ATOM 919 CA LEU A 58 14.196 3.888 -3.199 1.00 0.00 C ATOM 920 C LEU A 58 15.353 4.884 -3.202 1.00 0.00 C ATOM 921 O LEU A 58 15.180 6.049 -3.562 1.00 0.00 O ATOM 922 CB LEU A 58 13.665 3.713 -1.775 1.00 0.00 C ATOM 923 CG LEU A 58 12.278 3.082 -1.649 1.00 0.00 C ATOM 924 CD1 LEU A 58 11.929 2.846 -0.188 1.00 0.00 C ATOM 925 CD2 LEU A 58 11.229 3.964 -2.315 1.00 0.00 C ATOM 0 H LEU A 58 14.692 1.858 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 58 13.400 4.280 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.373 3.100 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.642 4.691 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 58 12.290 2.118 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.938 2.396 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.664 2.176 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.934 3.797 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.248 3.500 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.218 4.942 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.470 4.081 -3.372 1.00 0.00 H new ATOM 937 N LYS A 59 16.530 4.417 -2.803 1.00 0.00 N ATOM 938 CA LYS A 59 17.716 5.265 -2.764 1.00 0.00 C ATOM 939 C LYS A 59 18.178 5.619 -4.173 1.00 0.00 C ATOM 940 O LYS A 59 18.696 6.710 -4.413 1.00 0.00 O ATOM 941 CB LYS A 59 18.846 4.561 -2.007 1.00 0.00 C ATOM 942 CG LYS A 59 20.160 5.319 -2.034 1.00 0.00 C ATOM 943 CD LYS A 59 21.155 4.748 -1.038 1.00 0.00 C ATOM 944 CE LYS A 59 21.709 5.828 -0.121 1.00 0.00 C ATOM 945 NZ LYS A 59 20.809 6.087 1.037 1.00 0.00 N ATOM 0 H LYS A 59 16.689 3.456 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 59 17.456 6.187 -2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.542 4.415 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 59 18.998 3.571 -2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 59 20.584 5.278 -3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 59 19.979 6.370 -1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 59 20.671 3.975 -0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 59 21.974 4.269 -1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 59 22.691 5.527 0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 59 21.847 6.749 -0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 21.221 6.829 1.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 19.879 6.399 0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 20.697 5.214 1.592 1.00 0.00 H new ATOM 959 N LYS A 60 17.988 4.691 -5.105 1.00 0.00 N ATOM 960 CA LYS A 60 18.381 4.906 -6.492 1.00 0.00 C ATOM 961 C LYS A 60 17.328 5.718 -7.237 1.00 0.00 C ATOM 962 O LYS A 60 17.642 6.442 -8.182 1.00 0.00 O ATOM 963 CB LYS A 60 18.599 3.564 -7.196 1.00 0.00 C ATOM 964 CG LYS A 60 19.066 3.702 -8.635 1.00 0.00 C ATOM 965 CD LYS A 60 19.481 2.359 -9.216 1.00 0.00 C ATOM 966 CE LYS A 60 20.202 2.527 -10.544 1.00 0.00 C ATOM 967 NZ LYS A 60 20.706 1.227 -11.069 1.00 0.00 N ATOM 0 H LYS A 60 17.563 3.781 -4.924 1.00 0.00 H new ATOM 0 HA LYS A 60 19.315 5.467 -6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.335 2.985 -6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 60 17.668 2.998 -7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 60 18.266 4.130 -9.239 1.00 0.00 H new ATOM 0 HG3 LYS A 60 19.906 4.395 -8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 60 20.131 1.841 -8.511 1.00 0.00 H new ATOM 0 HD3 LYS A 60 18.599 1.733 -9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 60 19.524 2.974 -11.271 1.00 0.00 H new ATOM 0 HE3 LYS A 60 21.037 3.217 -10.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 21.191 1.383 -11.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 21.372 0.812 -10.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.907 0.577 -11.212 1.00 0.00 H new ATOM 981 N ASP A 61 16.077 5.594 -6.807 1.00 0.00 N ATOM 982 CA ASP A 61 14.978 6.318 -7.432 1.00 0.00 C ATOM 983 C ASP A 61 15.073 7.812 -7.137 1.00 0.00 C ATOM 984 O ASP A 61 15.303 8.620 -8.037 1.00 0.00 O ATOM 985 CB ASP A 61 13.635 5.772 -6.942 1.00 0.00 C ATOM 986 CG ASP A 61 12.457 6.546 -7.501 1.00 0.00 C ATOM 987 OD1 ASP A 61 12.610 7.169 -8.572 1.00 0.00 O ATOM 988 OD2 ASP A 61 11.381 6.528 -6.869 1.00 0.00 O ATOM 0 H ASP A 61 15.799 4.998 -6.027 1.00 0.00 H new ATOM 0 HA ASP A 61 15.048 6.175 -8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.546 4.724 -7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.607 5.809 -5.853 1.00 0.00 H new ATOM 993 N PHE A 62 14.894 8.172 -5.871 1.00 0.00 N ATOM 994 CA PHE A 62 14.958 9.568 -5.456 1.00 0.00 C ATOM 995 C PHE A 62 15.671 9.705 -4.114 1.00 0.00 C ATOM 996 O PHE A 62 15.316 10.553 -3.294 1.00 0.00 O ATOM 997 CB PHE A 62 13.550 10.159 -5.361 1.00 0.00 C ATOM 998 CG PHE A 62 12.870 10.306 -6.692 1.00 0.00 C ATOM 999 CD1 PHE A 62 13.386 11.156 -7.658 1.00 0.00 C ATOM 1000 CD2 PHE A 62 11.716 9.595 -6.978 1.00 0.00 C ATOM 1001 CE1 PHE A 62 12.761 11.292 -8.883 1.00 0.00 C ATOM 1002 CE2 PHE A 62 11.087 9.728 -8.202 1.00 0.00 C ATOM 1003 CZ PHE A 62 11.612 10.577 -9.156 1.00 0.00 C ATOM 0 H PHE A 62 14.703 7.516 -5.114 1.00 0.00 H new ATOM 0 HA PHE A 62 15.526 10.118 -6.206 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.940 9.523 -4.719 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.606 11.136 -4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.285 11.717 -7.451 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.303 8.928 -6.236 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.172 11.958 -9.627 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.187 9.169 -8.411 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.125 10.682 -10.114 1.00 0.00 H new ATOM 1013 N ALA A 63 16.678 8.866 -3.897 1.00 0.00 N ATOM 1014 CA ALA A 63 17.442 8.894 -2.657 1.00 0.00 C ATOM 1015 C ALA A 63 16.520 8.850 -1.443 1.00 0.00 C ATOM 1016 O ALA A 63 16.533 9.758 -0.610 1.00 0.00 O ATOM 1017 CB ALA A 63 18.325 10.132 -2.608 1.00 0.00 C ATOM 0 H ALA A 63 16.984 8.158 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 63 18.077 8.008 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.890 10.139 -1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.016 10.120 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.703 11.025 -2.662 1.00 0.00 H new ATOM 1023 N CYS A 64 15.722 7.792 -1.349 1.00 0.00 N ATOM 1024 CA CYS A 64 14.792 7.631 -0.238 1.00 0.00 C ATOM 1025 C CYS A 64 15.310 6.601 0.760 1.00 0.00 C ATOM 1026 O CYS A 64 15.094 5.401 0.597 1.00 0.00 O ATOM 1027 CB CYS A 64 13.416 7.211 -0.754 1.00 0.00 C ATOM 1028 SG CYS A 64 12.240 8.578 -0.916 1.00 0.00 S ATOM 0 H CYS A 64 15.701 7.033 -2.030 1.00 0.00 H new ATOM 0 HA CYS A 64 14.704 8.591 0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.535 6.731 -1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.998 6.465 -0.078 1.00 0.00 H new ATOM 0 HG CYS A 64 12.060 8.849 -2.175 1.00 0.00 H new ATOM 1034 N ASN A 65 15.997 7.079 1.793 1.00 0.00 N ATOM 1035 CA ASN A 65 16.548 6.199 2.817 1.00 0.00 C ATOM 1036 C ASN A 65 15.479 5.252 3.354 1.00 0.00 C ATOM 1037 O ASN A 65 14.539 5.675 4.024 1.00 0.00 O ATOM 1038 CB ASN A 65 17.138 7.021 3.963 1.00 0.00 C ATOM 1039 CG ASN A 65 18.606 6.717 4.199 1.00 0.00 C ATOM 1040 OD1 ASN A 65 19.031 5.565 4.126 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.386 7.752 4.483 1.00 0.00 N ATOM 0 H ASN A 65 16.185 8.070 1.943 1.00 0.00 H new ATOM 0 HA ASN A 65 17.339 5.604 2.361 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.021 8.082 3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.577 6.821 4.876 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.382 7.609 4.651 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.990 8.691 4.533 1.00 0.00 H new ATOM 1048 N GLY A 66 15.631 3.964 3.054 1.00 0.00 N ATOM 1049 CA GLY A 66 14.672 2.978 3.514 1.00 0.00 C ATOM 1050 C GLY A 66 15.295 1.952 4.440 1.00 0.00 C ATOM 1051 O GLY A 66 15.588 0.831 4.029 1.00 0.00 O ATOM 0 H GLY A 66 16.401 3.588 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.857 3.483 4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.237 2.470 2.654 1.00 0.00 H new ATOM 1055 N ASN A 67 15.499 2.338 5.695 1.00 0.00 N ATOM 1056 CA ASN A 67 16.094 1.443 6.683 1.00 0.00 C ATOM 1057 C ASN A 67 15.028 0.576 7.344 1.00 0.00 C ATOM 1058 O ASN A 67 13.837 0.718 7.064 1.00 0.00 O ATOM 1059 CB ASN A 67 16.844 2.250 7.746 1.00 0.00 C ATOM 1060 CG ASN A 67 17.544 3.463 7.165 1.00 0.00 C ATOM 1061 OD1 ASN A 67 16.957 4.538 7.052 1.00 0.00 O ATOM 1062 ND2 ASN A 67 18.808 3.292 6.792 1.00 0.00 N ATOM 0 H ASN A 67 15.262 3.263 6.053 1.00 0.00 H new ATOM 0 HA ASN A 67 16.799 0.790 6.168 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.142 2.573 8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.579 1.609 8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 67 19.332 4.071 6.393 1.00 0.00 H new ATOM 0 HD22 ASN A 67 19.254 2.382 6.905 1.00 0.00 H new ATOM 1069 N ILE A 68 15.462 -0.320 8.224 1.00 0.00 N ATOM 1070 CA ILE A 68 14.544 -1.208 8.925 1.00 0.00 C ATOM 1071 C ILE A 68 14.679 -1.054 10.436 1.00 0.00 C ATOM 1072 O ILE A 68 15.744 -0.699 10.942 1.00 0.00 O ATOM 1073 CB ILE A 68 14.786 -2.681 8.546 1.00 0.00 C ATOM 1074 CG1 ILE A 68 13.572 -3.533 8.924 1.00 0.00 C ATOM 1075 CG2 ILE A 68 16.040 -3.206 9.231 1.00 0.00 C ATOM 1076 CD1 ILE A 68 13.727 -4.995 8.568 1.00 0.00 C ATOM 0 H ILE A 68 16.444 -0.450 8.468 1.00 0.00 H new ATOM 0 HA ILE A 68 13.536 -0.925 8.621 1.00 0.00 H new ATOM 0 HB ILE A 68 14.931 -2.744 7.467 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.396 -3.445 9.996 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.689 -3.137 8.422 1.00 0.00 H new ATOM 0 HG21 ILE A 68 16.197 -4.248 8.953 1.00 0.00 H new ATOM 0 HG22 ILE A 68 16.900 -2.614 8.919 1.00 0.00 H new ATOM 0 HG23 ILE A 68 15.922 -3.133 10.312 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.830 -5.539 8.864 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.873 -5.094 7.492 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.590 -5.407 9.091 1.00 0.00 H new ATOM 1088 N VAL A 69 13.593 -1.327 11.153 1.00 0.00 N ATOM 1089 CA VAL A 69 13.591 -1.222 12.607 1.00 0.00 C ATOM 1090 C VAL A 69 12.774 -2.345 13.238 1.00 0.00 C ATOM 1091 O VAL A 69 12.043 -3.058 12.550 1.00 0.00 O ATOM 1092 CB VAL A 69 13.025 0.132 13.071 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.619 0.529 14.414 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.285 1.206 12.025 1.00 0.00 C ATOM 0 H VAL A 69 12.704 -1.622 10.750 1.00 0.00 H new ATOM 0 HA VAL A 69 14.628 -1.304 12.932 1.00 0.00 H new ATOM 0 HB VAL A 69 11.947 0.031 13.194 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.206 1.489 14.725 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.375 -0.229 15.158 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.702 0.612 14.323 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.878 2.156 12.370 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.359 1.307 11.867 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.805 0.925 11.088 1.00 0.00 H new ATOM 1104 N LYS A 70 12.902 -2.496 14.552 1.00 0.00 N ATOM 1105 CA LYS A 70 12.175 -3.531 15.278 1.00 0.00 C ATOM 1106 C LYS A 70 11.476 -2.948 16.500 1.00 0.00 C ATOM 1107 O LYS A 70 12.126 -2.523 17.456 1.00 0.00 O ATOM 1108 CB LYS A 70 13.129 -4.649 15.706 1.00 0.00 C ATOM 1109 CG LYS A 70 12.445 -5.780 16.452 1.00 0.00 C ATOM 1110 CD LYS A 70 13.327 -6.332 17.558 1.00 0.00 C ATOM 1111 CE LYS A 70 12.866 -7.712 18.004 1.00 0.00 C ATOM 1112 NZ LYS A 70 11.757 -7.634 18.995 1.00 0.00 N ATOM 0 H LYS A 70 13.503 -1.914 15.136 1.00 0.00 H new ATOM 0 HA LYS A 70 11.418 -3.944 14.611 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.621 -5.054 14.822 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.909 -4.227 16.339 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.508 -5.422 16.878 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.194 -6.578 15.753 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.358 -6.387 17.209 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.314 -5.651 18.409 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.537 -8.283 17.136 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.706 -8.252 18.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.472 -8.595 19.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.078 -7.111 19.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.946 -7.142 18.570 1.00 0.00 H new ATOM 1126 N ASP A 71 10.148 -2.933 16.467 1.00 0.00 N ATOM 1127 CA ASP A 71 9.360 -2.404 17.574 1.00 0.00 C ATOM 1128 C ASP A 71 8.862 -3.532 18.473 1.00 0.00 C ATOM 1129 O ASP A 71 8.789 -4.693 18.071 1.00 0.00 O ATOM 1130 CB ASP A 71 8.176 -1.594 17.045 1.00 0.00 C ATOM 1131 CG ASP A 71 8.417 -0.100 17.118 1.00 0.00 C ATOM 1132 OD1 ASP A 71 9.533 0.339 16.771 1.00 0.00 O ATOM 1133 OD2 ASP A 71 7.489 0.631 17.524 1.00 0.00 O ATOM 0 H ASP A 71 9.594 -3.282 15.685 1.00 0.00 H new ATOM 0 HA ASP A 71 10.001 -1.749 18.164 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.979 -1.877 16.011 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.284 -1.843 17.619 1.00 0.00 H new ATOM 1138 N PRO A 72 8.510 -3.184 19.719 1.00 0.00 N ATOM 1139 CA PRO A 72 8.011 -4.152 20.701 1.00 0.00 C ATOM 1140 C PRO A 72 6.622 -4.672 20.350 1.00 0.00 C ATOM 1141 O PRO A 72 6.112 -5.587 20.993 1.00 0.00 O ATOM 1142 CB PRO A 72 7.969 -3.347 22.002 1.00 0.00 C ATOM 1143 CG PRO A 72 7.823 -1.931 21.567 1.00 0.00 C ATOM 1144 CD PRO A 72 8.571 -1.819 20.267 1.00 0.00 C ATOM 0 HA PRO A 72 8.640 -5.040 20.753 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.134 -3.656 22.632 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.878 -3.490 22.585 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.773 -1.669 21.437 1.00 0.00 H new ATOM 0 HG3 PRO A 72 8.232 -1.249 22.313 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.106 -1.096 19.597 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.600 -1.494 20.422 1.00 0.00 H new ATOM 1152 N GLU A 73 6.016 -4.081 19.323 1.00 0.00 N ATOM 1153 CA GLU A 73 4.685 -4.486 18.888 1.00 0.00 C ATOM 1154 C GLU A 73 4.770 -5.565 17.812 1.00 0.00 C ATOM 1155 O GLU A 73 4.007 -6.530 17.824 1.00 0.00 O ATOM 1156 CB GLU A 73 3.909 -3.280 18.356 1.00 0.00 C ATOM 1157 CG GLU A 73 2.409 -3.505 18.284 1.00 0.00 C ATOM 1158 CD GLU A 73 1.691 -2.412 17.515 1.00 0.00 C ATOM 1159 OE1 GLU A 73 2.353 -1.716 16.716 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.468 -2.254 17.711 1.00 0.00 O ATOM 0 H GLU A 73 6.426 -3.322 18.779 1.00 0.00 H new ATOM 0 HA GLU A 73 4.158 -4.896 19.749 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.109 -2.420 18.995 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.279 -3.031 17.361 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.212 -4.467 17.810 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.005 -3.559 19.295 1.00 0.00 H new ATOM 1167 N MET A 74 5.703 -5.392 16.880 1.00 0.00 N ATOM 1168 CA MET A 74 5.888 -6.350 15.797 1.00 0.00 C ATOM 1169 C MET A 74 7.362 -6.705 15.631 1.00 0.00 C ATOM 1170 O MET A 74 7.771 -7.835 15.893 1.00 0.00 O ATOM 1171 CB MET A 74 5.338 -5.781 14.487 1.00 0.00 C ATOM 1172 CG MET A 74 4.412 -6.737 13.752 1.00 0.00 C ATOM 1173 SD MET A 74 2.674 -6.459 14.143 1.00 0.00 S ATOM 1174 CE MET A 74 1.917 -7.881 13.361 1.00 0.00 C ATOM 0 H MET A 74 6.342 -4.597 16.854 1.00 0.00 H new ATOM 0 HA MET A 74 5.340 -7.258 16.050 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.800 -4.857 14.699 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.172 -5.521 13.834 1.00 0.00 H new ATOM 0 HG2 MET A 74 4.561 -6.627 12.678 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.678 -7.763 14.007 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.839 -7.850 13.516 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.131 -7.865 12.292 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.321 -8.794 13.798 1.00 0.00 H new ATOM 1184 N GLY A 75 8.157 -5.732 15.195 1.00 0.00 N ATOM 1185 CA GLY A 75 9.575 -5.963 15.002 1.00 0.00 C ATOM 1186 C GLY A 75 9.961 -6.013 13.537 1.00 0.00 C ATOM 1187 O GLY A 75 10.864 -6.752 13.151 1.00 0.00 O ATOM 0 H GLY A 75 7.843 -4.788 14.972 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.139 -5.172 15.496 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.855 -6.901 15.480 1.00 0.00 H new ATOM 1191 N GLU A 76 9.273 -5.222 12.718 1.00 0.00 N ATOM 1192 CA GLU A 76 9.548 -5.181 11.288 1.00 0.00 C ATOM 1193 C GLU A 76 9.092 -3.856 10.683 1.00 0.00 C ATOM 1194 O GLU A 76 8.549 -3.820 9.578 1.00 0.00 O ATOM 1195 CB GLU A 76 8.850 -6.343 10.577 1.00 0.00 C ATOM 1196 CG GLU A 76 9.739 -7.072 9.585 1.00 0.00 C ATOM 1197 CD GLU A 76 10.055 -8.492 10.017 1.00 0.00 C ATOM 1198 OE1 GLU A 76 10.598 -8.667 11.127 1.00 0.00 O ATOM 1199 OE2 GLU A 76 9.759 -9.426 9.242 1.00 0.00 O ATOM 0 H GLU A 76 8.522 -4.602 13.021 1.00 0.00 H new ATOM 0 HA GLU A 76 10.625 -5.273 11.150 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.494 -7.053 11.323 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.972 -5.963 10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.249 -7.093 8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.670 -6.518 9.462 1.00 0.00 H new ATOM 1206 N ILE A 77 9.316 -2.771 11.416 1.00 0.00 N ATOM 1207 CA ILE A 77 8.930 -1.443 10.953 1.00 0.00 C ATOM 1208 C ILE A 77 9.988 -0.854 10.027 1.00 0.00 C ATOM 1209 O ILE A 77 11.048 -0.419 10.477 1.00 0.00 O ATOM 1210 CB ILE A 77 8.702 -0.480 12.133 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.597 -1.012 13.048 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.351 0.909 11.622 1.00 0.00 C ATOM 1213 CD1 ILE A 77 7.304 -0.110 14.228 1.00 0.00 C ATOM 0 H ILE A 77 9.763 -2.785 12.333 1.00 0.00 H new ATOM 0 HA ILE A 77 7.996 -1.560 10.404 1.00 0.00 H new ATOM 0 HB ILE A 77 9.624 -0.411 12.710 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.685 -1.143 12.465 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.884 -1.997 13.416 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.193 1.578 12.467 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.168 1.288 11.007 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.441 0.858 11.025 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.511 -0.549 14.833 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.204 0.001 14.833 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.986 0.869 13.868 1.00 0.00 H new ATOM 1225 N ILE A 78 9.692 -0.841 8.732 1.00 0.00 N ATOM 1226 CA ILE A 78 10.617 -0.302 7.743 1.00 0.00 C ATOM 1227 C ILE A 78 10.585 1.222 7.734 1.00 0.00 C ATOM 1228 O ILE A 78 9.630 1.831 7.252 1.00 0.00 O ATOM 1229 CB ILE A 78 10.293 -0.819 6.328 1.00 0.00 C ATOM 1230 CG1 ILE A 78 10.201 -2.346 6.329 1.00 0.00 C ATOM 1231 CG2 ILE A 78 11.346 -0.347 5.338 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.817 -2.869 6.016 1.00 0.00 C ATOM 0 H ILE A 78 8.819 -1.197 8.343 1.00 0.00 H new ATOM 0 HA ILE A 78 11.614 -0.641 8.026 1.00 0.00 H new ATOM 0 HB ILE A 78 9.328 -0.416 6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.905 -2.745 5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.509 -2.720 7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.103 -0.720 4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.367 0.743 5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.323 -0.725 5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.827 -3.959 6.034 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.112 -2.500 6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.513 -2.526 5.027 1.00 0.00 H new ATOM 1244 N GLN A 79 11.638 1.834 8.268 1.00 0.00 N ATOM 1245 CA GLN A 79 11.731 3.288 8.321 1.00 0.00 C ATOM 1246 C GLN A 79 12.061 3.862 6.947 1.00 0.00 C ATOM 1247 O GLN A 79 13.078 3.515 6.344 1.00 0.00 O ATOM 1248 CB GLN A 79 12.794 3.715 9.334 1.00 0.00 C ATOM 1249 CG GLN A 79 12.958 5.223 9.443 1.00 0.00 C ATOM 1250 CD GLN A 79 13.964 5.625 10.504 1.00 0.00 C ATOM 1251 OE1 GLN A 79 15.043 6.132 10.192 1.00 0.00 O ATOM 1252 NE2 GLN A 79 13.615 5.401 11.765 1.00 0.00 N ATOM 0 H GLN A 79 12.438 1.345 8.670 1.00 0.00 H new ATOM 0 HA GLN A 79 10.763 3.678 8.635 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.533 3.314 10.313 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.750 3.273 9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.274 5.621 8.479 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.993 5.674 9.673 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.711 4.979 11.977 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.251 5.651 12.522 1.00 0.00 H new ATOM 1261 N LEU A 80 11.195 4.742 6.454 1.00 0.00 N ATOM 1262 CA LEU A 80 11.394 5.365 5.152 1.00 0.00 C ATOM 1263 C LEU A 80 11.442 6.884 5.275 1.00 0.00 C ATOM 1264 O LEU A 80 10.429 7.526 5.554 1.00 0.00 O ATOM 1265 CB LEU A 80 10.274 4.955 4.193 1.00 0.00 C ATOM 1266 CG LEU A 80 10.711 4.550 2.785 1.00 0.00 C ATOM 1267 CD1 LEU A 80 9.592 3.804 2.073 1.00 0.00 C ATOM 1268 CD2 LEU A 80 11.134 5.772 1.984 1.00 0.00 C ATOM 0 H LEU A 80 10.348 5.039 6.938 1.00 0.00 H new ATOM 0 HA LEU A 80 12.349 5.022 4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.730 4.121 4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.572 5.785 4.109 1.00 0.00 H new ATOM 0 HG LEU A 80 11.569 3.883 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.921 3.524 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.337 2.906 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.715 4.447 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.442 5.463 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.296 6.465 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.968 6.264 2.484 1.00 0.00 H new ATOM 1280 N GLN A 81 12.625 7.453 5.065 1.00 0.00 N ATOM 1281 CA GLN A 81 12.804 8.897 5.152 1.00 0.00 C ATOM 1282 C GLN A 81 12.644 9.548 3.783 1.00 0.00 C ATOM 1283 O GLN A 81 13.000 8.965 2.761 1.00 0.00 O ATOM 1284 CB GLN A 81 14.183 9.226 5.728 1.00 0.00 C ATOM 1285 CG GLN A 81 14.211 10.511 6.542 1.00 0.00 C ATOM 1286 CD GLN A 81 15.328 11.445 6.120 1.00 0.00 C ATOM 1287 OE1 GLN A 81 15.425 11.827 4.954 1.00 0.00 O ATOM 1288 NE2 GLN A 81 16.178 11.817 7.068 1.00 0.00 N ATOM 0 H GLN A 81 13.473 6.936 4.834 1.00 0.00 H new ATOM 0 HA GLN A 81 12.036 9.295 5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.511 8.399 6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.899 9.308 4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.255 11.024 6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.327 10.265 7.598 1.00 0.00 H new ATOM 0 HE21 GLN A 81 16.059 11.476 8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.950 12.444 6.843 1.00 0.00 H new ATOM 1297 N GLY A 82 12.105 10.764 3.771 1.00 0.00 N ATOM 1298 CA GLY A 82 11.904 11.475 2.523 1.00 0.00 C ATOM 1299 C GLY A 82 10.611 12.263 2.504 1.00 0.00 C ATOM 1300 O GLY A 82 9.714 12.016 3.311 1.00 0.00 O ATOM 0 H GLY A 82 11.804 11.269 4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.741 12.153 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.903 10.762 1.699 1.00 0.00 H new ATOM 1304 N ASP A 83 10.512 13.215 1.582 1.00 0.00 N ATOM 1305 CA ASP A 83 9.317 14.043 1.462 1.00 0.00 C ATOM 1306 C ASP A 83 8.407 13.525 0.354 1.00 0.00 C ATOM 1307 O ASP A 83 7.687 14.296 -0.281 1.00 0.00 O ATOM 1308 CB ASP A 83 9.704 15.497 1.186 1.00 0.00 C ATOM 1309 CG ASP A 83 10.787 15.616 0.131 1.00 0.00 C ATOM 1310 OD1 ASP A 83 10.827 14.762 -0.778 1.00 0.00 O ATOM 1311 OD2 ASP A 83 11.596 16.564 0.215 1.00 0.00 O ATOM 0 H ASP A 83 11.245 13.432 0.907 1.00 0.00 H new ATOM 0 HA ASP A 83 8.773 13.994 2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.822 16.050 0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.048 15.960 2.111 1.00 0.00 H new ATOM 1316 N GLN A 84 8.444 12.216 0.126 1.00 0.00 N ATOM 1317 CA GLN A 84 7.624 11.597 -0.907 1.00 0.00 C ATOM 1318 C GLN A 84 6.738 10.504 -0.317 1.00 0.00 C ATOM 1319 O GLN A 84 6.747 9.365 -0.783 1.00 0.00 O ATOM 1320 CB GLN A 84 8.508 11.013 -2.009 1.00 0.00 C ATOM 1321 CG GLN A 84 9.421 12.038 -2.663 1.00 0.00 C ATOM 1322 CD GLN A 84 10.745 11.445 -3.103 1.00 0.00 C ATOM 1323 OE1 GLN A 84 10.814 10.285 -3.513 1.00 0.00 O ATOM 1324 NE2 GLN A 84 11.807 12.238 -3.022 1.00 0.00 N ATOM 0 H GLN A 84 9.034 11.564 0.643 1.00 0.00 H new ATOM 0 HA GLN A 84 6.983 12.367 -1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.117 10.212 -1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.873 10.564 -2.773 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.916 12.470 -3.527 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.607 12.852 -1.963 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.706 13.192 -2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.724 11.893 -3.305 1.00 0.00 H new ATOM 1333 N ARG A 85 5.976 10.859 0.711 1.00 0.00 N ATOM 1334 CA ARG A 85 5.085 9.908 1.366 1.00 0.00 C ATOM 1335 C ARG A 85 4.025 9.398 0.395 1.00 0.00 C ATOM 1336 O ARG A 85 3.901 8.194 0.172 1.00 0.00 O ATOM 1337 CB ARG A 85 4.412 10.558 2.578 1.00 0.00 C ATOM 1338 CG ARG A 85 3.556 9.596 3.387 1.00 0.00 C ATOM 1339 CD ARG A 85 2.105 9.628 2.934 1.00 0.00 C ATOM 1340 NE ARG A 85 1.231 8.896 3.848 1.00 0.00 N ATOM 1341 CZ ARG A 85 -0.008 8.526 3.542 1.00 0.00 C ATOM 1342 NH1 ARG A 85 -0.516 8.820 2.353 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -0.740 7.862 4.426 1.00 0.00 N ATOM 0 H ARG A 85 5.957 11.798 1.109 1.00 0.00 H new ATOM 0 HA ARG A 85 5.683 9.061 1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.180 10.981 3.226 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.790 11.386 2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.948 8.584 3.285 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.614 9.856 4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.770 10.663 2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.027 9.198 1.935 1.00 0.00 H new ATOM 0 HE ARG A 85 1.592 8.656 4.771 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.045 9.331 1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.467 8.535 2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.352 7.635 5.342 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.691 7.578 4.190 1.00 0.00 H new ATOM 1357 N ALA A 86 3.263 10.322 -0.180 1.00 0.00 N ATOM 1358 CA ALA A 86 2.213 9.966 -1.129 1.00 0.00 C ATOM 1359 C ALA A 86 2.769 9.114 -2.264 1.00 0.00 C ATOM 1360 O ALA A 86 2.045 8.329 -2.877 1.00 0.00 O ATOM 1361 CB ALA A 86 1.554 11.221 -1.680 1.00 0.00 C ATOM 0 H ALA A 86 3.352 11.323 -0.006 1.00 0.00 H new ATOM 0 HA ALA A 86 1.462 9.377 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.773 10.941 -2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.115 11.791 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.301 11.831 -2.188 1.00 0.00 H new ATOM 1367 N LYS A 87 4.058 9.275 -2.544 1.00 0.00 N ATOM 1368 CA LYS A 87 4.710 8.519 -3.607 1.00 0.00 C ATOM 1369 C LYS A 87 4.954 7.076 -3.179 1.00 0.00 C ATOM 1370 O LYS A 87 4.709 6.142 -3.942 1.00 0.00 O ATOM 1371 CB LYS A 87 6.036 9.180 -3.988 1.00 0.00 C ATOM 1372 CG LYS A 87 6.381 9.046 -5.462 1.00 0.00 C ATOM 1373 CD LYS A 87 6.562 10.405 -6.118 1.00 0.00 C ATOM 1374 CE LYS A 87 5.248 10.937 -6.670 1.00 0.00 C ATOM 1375 NZ LYS A 87 5.231 12.426 -6.720 1.00 0.00 N ATOM 0 H LYS A 87 4.672 9.922 -2.049 1.00 0.00 H new ATOM 0 HA LYS A 87 4.049 8.514 -4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.993 10.238 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.836 8.738 -3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.296 8.464 -5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.591 8.497 -5.973 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.965 11.110 -5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.291 10.327 -6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.086 10.538 -7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.424 10.585 -6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.319 12.750 -7.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.360 12.807 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.002 12.762 -7.332 1.00 0.00 H new ATOM 1389 N VAL A 88 5.437 6.900 -1.953 1.00 0.00 N ATOM 1390 CA VAL A 88 5.712 5.570 -1.423 1.00 0.00 C ATOM 1391 C VAL A 88 4.434 4.746 -1.317 1.00 0.00 C ATOM 1392 O VAL A 88 4.463 3.519 -1.420 1.00 0.00 O ATOM 1393 CB VAL A 88 6.377 5.645 -0.035 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.705 4.251 0.476 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.626 6.510 -0.089 1.00 0.00 C ATOM 0 H VAL A 88 5.646 7.662 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 88 6.396 5.087 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 88 5.675 6.105 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.174 4.324 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.788 3.667 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.389 3.761 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.083 6.552 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.335 6.082 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.358 7.517 -0.408 1.00 0.00 H new ATOM 1405 N CYS A 89 3.312 5.428 -1.114 1.00 0.00 N ATOM 1406 CA CYS A 89 2.021 4.759 -0.994 1.00 0.00 C ATOM 1407 C CYS A 89 1.461 4.408 -2.370 1.00 0.00 C ATOM 1408 O CYS A 89 0.851 3.355 -2.551 1.00 0.00 O ATOM 1409 CB CYS A 89 1.030 5.648 -0.241 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.280 4.737 0.608 1.00 0.00 S ATOM 0 H CYS A 89 3.270 6.444 -1.029 1.00 0.00 H new ATOM 0 HA CYS A 89 2.169 3.836 -0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.576 6.244 0.490 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.576 6.345 -0.945 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.066 5.574 1.217 1.00 0.00 H new ATOM 1416 N GLU A 90 1.674 5.298 -3.335 1.00 0.00 N ATOM 1417 CA GLU A 90 1.188 5.081 -4.692 1.00 0.00 C ATOM 1418 C GLU A 90 2.031 4.032 -5.410 1.00 0.00 C ATOM 1419 O GLU A 90 1.527 3.274 -6.239 1.00 0.00 O ATOM 1420 CB GLU A 90 1.207 6.393 -5.480 1.00 0.00 C ATOM 1421 CG GLU A 90 0.237 6.416 -6.649 1.00 0.00 C ATOM 1422 CD GLU A 90 -1.212 6.471 -6.205 1.00 0.00 C ATOM 1423 OE1 GLU A 90 -1.610 7.495 -5.609 1.00 0.00 O ATOM 1424 OE2 GLU A 90 -1.946 5.493 -6.453 1.00 0.00 O ATOM 0 H GLU A 90 2.179 6.174 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 90 0.162 4.718 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.969 7.215 -4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.216 6.568 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.453 7.279 -7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.392 5.528 -7.262 1.00 0.00 H new ATOM 1431 N PHE A 91 3.321 3.994 -5.087 1.00 0.00 N ATOM 1432 CA PHE A 91 4.234 3.041 -5.703 1.00 0.00 C ATOM 1433 C PHE A 91 4.125 1.673 -5.034 1.00 0.00 C ATOM 1434 O PHE A 91 4.277 0.638 -5.684 1.00 0.00 O ATOM 1435 CB PHE A 91 5.675 3.551 -5.612 1.00 0.00 C ATOM 1436 CG PHE A 91 6.547 3.092 -6.746 1.00 0.00 C ATOM 1437 CD1 PHE A 91 6.287 3.501 -8.045 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.623 2.251 -6.513 1.00 0.00 C ATOM 1439 CE1 PHE A 91 7.087 3.080 -9.090 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.426 1.829 -7.555 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.159 2.243 -8.845 1.00 0.00 C ATOM 0 H PHE A 91 3.756 4.613 -4.402 1.00 0.00 H new ATOM 0 HA PHE A 91 3.957 2.937 -6.752 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.665 4.641 -5.590 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.111 3.217 -4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.451 4.155 -8.242 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.836 1.922 -5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.875 3.405 -10.098 1.00 0.00 H new ATOM 0 HE2 PHE A 91 9.263 1.175 -7.361 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.786 1.914 -9.660 1.00 0.00 H new ATOM 1451 N MET A 92 3.860 1.677 -3.733 1.00 0.00 N ATOM 1452 CA MET A 92 3.730 0.438 -2.975 1.00 0.00 C ATOM 1453 C MET A 92 2.472 -0.321 -3.386 1.00 0.00 C ATOM 1454 O MET A 92 2.500 -1.537 -3.566 1.00 0.00 O ATOM 1455 CB MET A 92 3.694 0.732 -1.474 1.00 0.00 C ATOM 1456 CG MET A 92 3.348 -0.479 -0.625 1.00 0.00 C ATOM 1457 SD MET A 92 3.675 -0.216 1.128 1.00 0.00 S ATOM 1458 CE MET A 92 2.723 1.272 1.430 1.00 0.00 C ATOM 0 H MET A 92 3.731 2.525 -3.181 1.00 0.00 H new ATOM 0 HA MET A 92 4.598 -0.184 -3.194 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.666 1.117 -1.164 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.964 1.519 -1.284 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.295 -0.724 -0.761 1.00 0.00 H new ATOM 0 HG3 MET A 92 3.923 -1.338 -0.973 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.542 1.377 2.500 1.00 0.00 H new ATOM 0 HE2 MET A 92 3.278 2.138 1.069 1.00 0.00 H new ATOM 0 HE3 MET A 92 1.770 1.207 0.905 1.00 0.00 H new ATOM 1468 N ILE A 93 1.368 0.408 -3.532 1.00 0.00 N ATOM 1469 CA ILE A 93 0.101 -0.196 -3.923 1.00 0.00 C ATOM 1470 C ILE A 93 0.101 -0.566 -5.402 1.00 0.00 C ATOM 1471 O ILE A 93 -0.367 -1.638 -5.784 1.00 0.00 O ATOM 1472 CB ILE A 93 -1.082 0.746 -3.640 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -1.129 1.111 -2.155 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.390 0.100 -4.074 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -1.993 2.316 -1.856 1.00 0.00 C ATOM 0 H ILE A 93 1.327 1.417 -3.385 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.015 -1.100 -3.326 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.943 1.661 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.503 0.257 -1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.115 1.305 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.217 0.779 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.354 -0.113 -5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.537 -0.829 -3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.980 2.517 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.607 3.183 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.016 2.118 -2.175 1.00 0.00 H new ATOM 1487 N SER A 94 0.631 0.329 -6.229 1.00 0.00 N ATOM 1488 CA SER A 94 0.690 0.099 -7.669 1.00 0.00 C ATOM 1489 C SER A 94 1.627 -1.060 -7.994 1.00 0.00 C ATOM 1490 O SER A 94 1.479 -1.721 -9.022 1.00 0.00 O ATOM 1491 CB SER A 94 1.156 1.364 -8.390 1.00 0.00 C ATOM 1492 OG SER A 94 1.152 1.181 -9.795 1.00 0.00 O ATOM 0 H SER A 94 1.026 1.220 -5.928 1.00 0.00 H new ATOM 0 HA SER A 94 -0.312 -0.158 -8.013 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.504 2.197 -8.127 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.160 1.627 -8.057 1.00 0.00 H new ATOM 0 HG SER A 94 1.452 2.005 -10.233 1.00 0.00 H new ATOM 1498 N GLN A 95 2.591 -1.300 -7.112 1.00 0.00 N ATOM 1499 CA GLN A 95 3.553 -2.379 -7.306 1.00 0.00 C ATOM 1500 C GLN A 95 3.076 -3.661 -6.634 1.00 0.00 C ATOM 1501 O GLN A 95 3.380 -4.764 -7.090 1.00 0.00 O ATOM 1502 CB GLN A 95 4.921 -1.976 -6.752 1.00 0.00 C ATOM 1503 CG GLN A 95 5.987 -3.047 -6.923 1.00 0.00 C ATOM 1504 CD GLN A 95 7.329 -2.631 -6.357 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.692 -3.011 -5.243 1.00 0.00 O ATOM 1506 NE2 GLN A 95 8.077 -1.846 -7.124 1.00 0.00 N ATOM 0 H GLN A 95 2.727 -0.762 -6.256 1.00 0.00 H new ATOM 0 HA GLN A 95 3.643 -2.564 -8.376 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.251 -1.064 -7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.820 -1.742 -5.692 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.658 -3.963 -6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.099 -3.276 -7.983 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.737 -1.555 -8.041 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.991 -1.534 -6.796 1.00 0.00 H new ATOM 1515 N LEU A 96 2.328 -3.510 -5.546 1.00 0.00 N ATOM 1516 CA LEU A 96 1.808 -4.657 -4.810 1.00 0.00 C ATOM 1517 C LEU A 96 0.668 -5.323 -5.572 1.00 0.00 C ATOM 1518 O LEU A 96 0.396 -6.509 -5.391 1.00 0.00 O ATOM 1519 CB LEU A 96 1.325 -4.222 -3.425 1.00 0.00 C ATOM 1520 CG LEU A 96 2.393 -4.157 -2.331 1.00 0.00 C ATOM 1521 CD1 LEU A 96 1.887 -3.362 -1.138 1.00 0.00 C ATOM 1522 CD2 LEU A 96 2.804 -5.558 -1.904 1.00 0.00 C ATOM 0 H LEU A 96 2.068 -2.605 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 96 2.615 -5.381 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.865 -3.238 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.544 -4.910 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 96 3.269 -3.650 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.660 -3.327 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.642 -2.348 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.995 -3.841 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.564 -5.493 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.935 -6.091 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.208 -6.096 -2.762 1.00 0.00 H new ATOM 1534 N GLY A 97 0.003 -4.550 -6.427 1.00 0.00 N ATOM 1535 CA GLY A 97 -1.098 -5.084 -7.206 1.00 0.00 C ATOM 1536 C GLY A 97 -2.442 -4.555 -6.746 1.00 0.00 C ATOM 1537 O GLY A 97 -3.428 -5.295 -6.705 1.00 0.00 O ATOM 0 H GLY A 97 0.208 -3.565 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.952 -4.832 -8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.095 -6.172 -7.135 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.484 -3.274 -6.399 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.719 -2.648 -5.938 1.00 0.00 C ATOM 1543 C LEU A 98 -4.197 -3.279 -4.634 1.00 0.00 C ATOM 1544 O LEU A 98 -5.303 -3.812 -4.561 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.806 -2.770 -7.005 1.00 0.00 C ATOM 1546 CG LEU A 98 -4.380 -2.447 -8.438 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -5.440 -2.907 -9.426 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -4.116 -0.957 -8.591 1.00 0.00 C ATOM 0 H LEU A 98 -1.679 -2.649 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.515 -1.593 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.195 -3.788 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.629 -2.108 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.456 -2.984 -8.653 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.120 -2.669 -10.440 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.581 -3.984 -9.333 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.380 -2.398 -9.214 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.814 -0.744 -9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.024 -0.401 -8.357 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.321 -0.656 -7.909 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.355 -3.213 -3.606 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.692 -3.779 -2.304 1.00 0.00 C ATOM 1562 C GLN A 99 -4.294 -2.718 -1.391 1.00 0.00 C ATOM 1563 O GLN A 99 -3.656 -1.709 -1.085 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.451 -4.387 -1.652 1.00 0.00 C ATOM 1565 CG GLN A 99 -2.769 -5.395 -0.561 1.00 0.00 C ATOM 1566 CD GLN A 99 -3.641 -6.533 -1.055 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -4.722 -6.779 -0.519 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -3.175 -7.234 -2.081 1.00 0.00 N ATOM 0 H GLN A 99 -2.436 -2.774 -3.650 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.433 -4.564 -2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.849 -4.873 -2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.844 -3.586 -1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.839 -5.801 -0.164 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.272 -4.888 0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.274 -6.995 -2.495 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.718 -8.012 -2.456 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.529 -2.948 -0.956 1.00 0.00 N ATOM 1578 CA LYS A 100 -6.218 -2.013 -0.075 1.00 0.00 C ATOM 1579 C LYS A 100 -7.205 -2.745 0.831 1.00 0.00 C ATOM 1580 O LYS A 100 -8.114 -2.138 1.393 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.956 -0.954 -0.899 1.00 0.00 C ATOM 1582 CG LYS A 100 -8.065 -1.523 -1.767 1.00 0.00 C ATOM 1583 CD LYS A 100 -7.992 -0.987 -3.186 1.00 0.00 C ATOM 1584 CE LYS A 100 -8.784 0.303 -3.336 1.00 0.00 C ATOM 1585 NZ LYS A 100 -9.184 0.548 -4.750 1.00 0.00 N ATOM 0 H LYS A 100 -6.073 -3.775 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.471 -1.524 0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.380 -0.211 -0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.238 -0.435 -1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.994 -2.611 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.033 -1.274 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.951 -0.810 -3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.378 -1.735 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.675 0.257 -2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.185 1.140 -2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.722 1.436 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.333 0.617 -5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.777 -0.238 -5.084 1.00 0.00 H new ATOM 1599 N LYS A 101 -7.014 -4.052 0.968 1.00 0.00 N ATOM 1600 CA LYS A 101 -7.884 -4.868 1.808 1.00 0.00 C ATOM 1601 C LYS A 101 -7.944 -4.314 3.228 1.00 0.00 C ATOM 1602 O LYS A 101 -8.925 -4.514 3.942 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.391 -6.316 1.836 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.140 -7.233 0.886 1.00 0.00 C ATOM 1605 CD LYS A 101 -8.208 -8.653 1.418 1.00 0.00 C ATOM 1606 CE LYS A 101 -8.979 -9.565 0.476 1.00 0.00 C ATOM 1607 NZ LYS A 101 -8.113 -10.102 -0.610 1.00 0.00 N ATOM 0 H LYS A 101 -6.265 -4.570 0.509 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.887 -4.841 1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.331 -6.335 1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.485 -6.703 2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.150 -6.853 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.648 -7.231 -0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.198 -9.040 1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.685 -8.653 2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.407 -10.393 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.811 -9.014 0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.676 -10.719 -1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.724 -9.314 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.333 -10.649 -0.193 1.00 0.00 H new ATOM 1621 N ASN A 102 -6.888 -3.613 3.630 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.822 -3.029 4.966 1.00 0.00 C ATOM 1623 C ASN A 102 -5.565 -2.179 5.125 1.00 0.00 C ATOM 1624 O ASN A 102 -4.537 -2.451 4.504 1.00 0.00 O ATOM 1625 CB ASN A 102 -6.845 -4.130 6.028 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.324 -3.621 7.375 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -6.738 -2.703 7.949 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.393 -4.219 7.886 1.00 0.00 N ATOM 0 H ASN A 102 -6.067 -3.436 3.051 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.693 -2.387 5.099 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.496 -4.939 5.696 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -5.845 -4.549 6.135 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -8.761 -3.922 8.790 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -8.847 -4.976 7.375 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.655 -1.150 5.961 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.525 -0.262 6.204 1.00 0.00 C ATOM 1637 C ILE A 103 -4.512 0.227 7.648 1.00 0.00 C ATOM 1638 O ILE A 103 -5.497 0.780 8.138 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.554 0.956 5.262 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -3.281 1.788 5.430 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -5.788 1.804 5.529 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -3.242 3.016 4.548 1.00 0.00 C ATOM 0 H ILE A 103 -6.499 -0.911 6.481 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.621 -0.840 6.010 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.599 0.600 4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.193 2.096 6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.416 1.163 5.208 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.794 2.661 4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.684 1.206 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.772 2.154 6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.312 3.558 4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.299 2.715 3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -4.087 3.662 4.786 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.387 0.022 8.326 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.242 0.446 9.713 1.00 0.00 C ATOM 1656 C LYS A 104 -2.419 1.726 9.809 1.00 0.00 C ATOM 1657 O LYS A 104 -1.206 1.713 9.597 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.580 -0.661 10.539 1.00 0.00 C ATOM 1659 CG LYS A 104 -2.886 -0.578 12.024 1.00 0.00 C ATOM 1660 CD LYS A 104 -3.900 -1.627 12.443 1.00 0.00 C ATOM 1661 CE LYS A 104 -4.468 -1.334 13.824 1.00 0.00 C ATOM 1662 NZ LYS A 104 -4.165 -2.423 14.792 1.00 0.00 N ATOM 0 H LYS A 104 -2.563 -0.435 7.937 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.237 0.645 10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.909 -1.630 10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.500 -0.613 10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.966 -0.711 12.594 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.268 0.415 12.263 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.711 -1.662 11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.429 -2.610 12.443 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.057 -0.395 14.194 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.548 -1.203 13.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.569 -2.185 15.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.579 -3.314 14.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.135 -2.532 14.881 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.086 2.829 10.130 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.415 4.118 10.256 1.00 0.00 C ATOM 1678 C ILE A 105 -2.329 4.553 11.714 1.00 0.00 C ATOM 1679 O ILE A 105 -3.296 4.433 12.467 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.138 5.211 9.446 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.497 4.692 8.052 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -2.273 6.458 9.348 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -4.222 5.706 7.198 1.00 0.00 C ATOM 0 H ILE A 105 -4.090 2.857 10.308 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.408 3.990 9.859 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.061 5.474 9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.584 4.385 7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.120 3.803 8.153 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.798 7.221 8.773 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.066 6.837 10.349 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.334 6.212 8.852 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.444 5.269 6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.152 5.995 7.687 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.593 6.586 7.065 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.166 5.062 12.107 1.00 0.00 N ATOM 1696 CA HIS A 106 -0.955 5.518 13.476 1.00 0.00 C ATOM 1697 C HIS A 106 -1.366 6.979 13.632 1.00 0.00 C ATOM 1698 O HIS A 106 -0.574 7.887 13.379 1.00 0.00 O ATOM 1699 CB HIS A 106 0.511 5.343 13.874 1.00 0.00 C ATOM 1700 CG HIS A 106 0.703 4.989 15.317 1.00 0.00 C ATOM 1701 ND1 HIS A 106 0.747 3.690 15.773 1.00 0.00 N ATOM 1702 CD2 HIS A 106 0.864 5.776 16.407 1.00 0.00 C ATOM 1703 CE1 HIS A 106 0.925 3.691 17.082 1.00 0.00 C ATOM 1704 NE2 HIS A 106 1.000 4.944 17.491 1.00 0.00 N ATOM 0 H HIS A 106 -0.355 5.169 11.497 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.577 4.912 14.134 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.956 4.564 13.255 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.049 6.266 13.660 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.882 6.856 16.421 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.997 2.816 17.711 1.00 0.00 H new ATOM 0 HE2 HIS A 106 1.137 5.245 18.456 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.608 7.198 14.048 1.00 0.00 N ATOM 1713 CA GLY A 107 -3.103 8.550 14.229 1.00 0.00 C ATOM 1714 C GLY A 107 -2.626 9.174 15.526 1.00 0.00 C ATOM 1715 O GLY A 107 -2.751 8.574 16.594 1.00 0.00 O ATOM 0 H GLY A 107 -3.282 6.463 14.263 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.778 9.168 13.391 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.193 8.540 14.214 1.00 0.00 H new ATOM 1719 N PHE A 108 -2.077 10.381 15.434 1.00 0.00 N ATOM 1720 CA PHE A 108 -1.577 11.085 16.609 1.00 0.00 C ATOM 1721 C PHE A 108 -2.314 12.406 16.806 1.00 0.00 C ATOM 1722 O PHE A 108 -1.973 13.415 16.191 1.00 0.00 O ATOM 1723 CB PHE A 108 -0.074 11.341 16.475 1.00 0.00 C ATOM 1724 CG PHE A 108 0.597 11.667 17.778 1.00 0.00 C ATOM 1725 CD1 PHE A 108 0.684 10.719 18.785 1.00 0.00 C ATOM 1726 CD2 PHE A 108 1.142 12.922 17.998 1.00 0.00 C ATOM 1727 CE1 PHE A 108 1.300 11.016 19.986 1.00 0.00 C ATOM 1728 CE2 PHE A 108 1.759 13.225 19.197 1.00 0.00 C ATOM 1729 CZ PHE A 108 1.840 12.270 20.191 1.00 0.00 C ATOM 0 H PHE A 108 -1.967 10.892 14.558 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.755 10.457 17.482 1.00 0.00 H new ATOM 0 HB2 PHE A 108 0.399 10.460 16.042 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.086 12.163 15.778 1.00 0.00 H new ATOM 0 HD1 PHE A 108 0.265 9.736 18.629 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.084 13.672 17.223 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.359 10.268 20.763 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.177 14.208 19.356 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.325 12.504 21.127 1.00 0.00 H new