USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=12 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 59 LYS NZ :NH3+ 162:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 ASN : amide:sc= 0 X(o=0,f=0.49) USER MOD Single : A 24 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.21) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.8) USER MOD Single : A 38 THR OG1 : rot 163:sc= 0.93 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -73:sc= 0.635 USER MOD Single : A 43 GLN : amide:sc= -2.82 K(o=-2.8,f=-3.4) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.96 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 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.234 K(o=0.23,f=-2.3!) 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 :FLIP amide:sc= -0.819 F(o=-1.9,f=-0.82) USER MOD Single : A 81 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.011) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.055) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -177:sc= -2.02 (180deg=-2.1) USER MOD Single : A 94 SER OG : rot 101:sc= 1.22 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -1.97 X(o=-2,f=-2.1) 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= -1.96 K(o=-2,f=-6.1!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.116 K(o=-0.12,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 325 N ASN A 24 -5.252 -5.680 8.834 1.00 0.00 N ATOM 326 CA ASN A 24 -4.462 -4.642 8.181 1.00 0.00 C ATOM 327 C ASN A 24 -3.570 -5.238 7.097 1.00 0.00 C ATOM 328 O ASN A 24 -2.823 -6.186 7.343 1.00 0.00 O ATOM 329 CB ASN A 24 -3.606 -3.901 9.211 1.00 0.00 C ATOM 330 CG ASN A 24 -2.579 -4.805 9.866 1.00 0.00 C ATOM 331 OD1 ASN A 24 -1.419 -4.843 9.455 1.00 0.00 O ATOM 332 ND2 ASN A 24 -3.001 -5.535 10.890 1.00 0.00 N ATOM 0 HA ASN A 24 -5.149 -3.937 7.714 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.096 -3.069 8.725 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.253 -3.475 9.978 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.355 -6.160 11.371 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.972 -5.471 11.196 1.00 0.00 H new ATOM 339 N TYR A 25 -3.652 -4.676 5.896 1.00 0.00 N ATOM 340 CA TYR A 25 -2.854 -5.152 4.772 1.00 0.00 C ATOM 341 C TYR A 25 -1.585 -4.320 4.615 1.00 0.00 C ATOM 342 O TYR A 25 -0.589 -4.785 4.060 1.00 0.00 O ATOM 343 CB TYR A 25 -3.672 -5.105 3.481 1.00 0.00 C ATOM 344 CG TYR A 25 -4.088 -6.469 2.978 1.00 0.00 C ATOM 345 CD1 TYR A 25 -5.262 -7.065 3.419 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.307 -7.159 2.061 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.646 -8.311 2.963 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.683 -8.405 1.597 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.853 -8.978 2.051 1.00 0.00 C ATOM 350 OH TYR A 25 -5.232 -10.219 1.593 1.00 0.00 O ATOM 0 H TYR A 25 -4.263 -3.890 5.676 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.568 -6.184 4.974 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.564 -4.501 3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.088 -4.605 2.709 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.886 -6.545 4.131 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.390 -6.714 1.704 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.561 -8.761 3.318 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.064 -8.928 0.883 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.565 -10.550 0.956 1.00 0.00 H new ATOM 360 N ILE A 26 -1.629 -3.086 5.107 1.00 0.00 N ATOM 361 CA ILE A 26 -0.484 -2.190 5.022 1.00 0.00 C ATOM 362 C ILE A 26 -0.470 -1.205 6.187 1.00 0.00 C ATOM 363 O ILE A 26 -1.425 -0.456 6.395 1.00 0.00 O ATOM 364 CB ILE A 26 -0.482 -1.401 3.698 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.887 -0.885 3.386 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.032 -2.274 2.563 1.00 0.00 C ATOM 367 CD1 ILE A 26 -1.907 0.246 2.380 1.00 0.00 C ATOM 0 H ILE A 26 -2.446 -2.685 5.568 1.00 0.00 H new ATOM 0 HA ILE A 26 0.409 -2.814 5.065 1.00 0.00 H new ATOM 0 HB ILE A 26 0.184 -0.545 3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.492 -1.709 3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.354 -0.546 4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.028 -1.703 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.049 -2.598 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.612 -3.147 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.936 0.561 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.330 1.086 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.469 -0.094 1.441 1.00 0.00 H new ATOM 379 N HIS A 27 0.623 -1.210 6.944 1.00 0.00 N ATOM 380 CA HIS A 27 0.764 -0.314 8.088 1.00 0.00 C ATOM 381 C HIS A 27 1.450 0.985 7.679 1.00 0.00 C ATOM 382 O HIS A 27 2.383 0.981 6.878 1.00 0.00 O ATOM 383 CB HIS A 27 1.560 -0.997 9.200 1.00 0.00 C ATOM 384 CG HIS A 27 1.392 -0.349 10.541 1.00 0.00 C ATOM 385 ND1 HIS A 27 1.809 0.936 10.813 1.00 0.00 N ATOM 386 CD2 HIS A 27 0.847 -0.819 11.687 1.00 0.00 C ATOM 387 CE1 HIS A 27 1.529 1.230 12.070 1.00 0.00 C ATOM 388 NE2 HIS A 27 0.944 0.182 12.623 1.00 0.00 N ATOM 0 H HIS A 27 1.423 -1.823 6.787 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.233 -0.076 8.458 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.252 -2.040 9.268 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.617 -0.994 8.934 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.416 -1.798 11.838 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.742 2.167 12.562 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.618 0.125 13.588 1.00 0.00 H new ATOM 396 N ILE A 28 0.977 2.097 8.235 1.00 0.00 N ATOM 397 CA ILE A 28 1.545 3.404 7.927 1.00 0.00 C ATOM 398 C ILE A 28 1.554 4.302 9.159 1.00 0.00 C ATOM 399 O ILE A 28 0.502 4.720 9.643 1.00 0.00 O ATOM 400 CB ILE A 28 0.765 4.106 6.800 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.193 3.073 5.827 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.664 5.091 6.067 1.00 0.00 C ATOM 403 CD1 ILE A 28 -0.523 3.688 4.645 1.00 0.00 C ATOM 0 H ILE A 28 0.204 2.118 8.900 1.00 0.00 H new ATOM 0 HA ILE A 28 2.569 3.233 7.596 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.063 4.660 7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.003 2.442 5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.499 2.425 6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.098 5.579 5.273 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.028 5.842 6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.511 4.558 5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.902 2.897 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.355 4.297 5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.171 4.314 4.084 1.00 0.00 H new ATOM 415 N ARG A 29 2.749 4.597 9.661 1.00 0.00 N ATOM 416 CA ARG A 29 2.896 5.447 10.836 1.00 0.00 C ATOM 417 C ARG A 29 3.852 6.603 10.556 1.00 0.00 C ATOM 418 O ARG A 29 5.063 6.406 10.446 1.00 0.00 O ATOM 419 CB ARG A 29 3.403 4.628 12.025 1.00 0.00 C ATOM 420 CG ARG A 29 3.796 5.474 13.225 1.00 0.00 C ATOM 421 CD ARG A 29 4.126 4.609 14.432 1.00 0.00 C ATOM 422 NE ARG A 29 5.422 3.950 14.293 1.00 0.00 N ATOM 423 CZ ARG A 29 6.111 3.463 15.318 1.00 0.00 C ATOM 424 NH1 ARG A 29 5.633 3.561 16.551 1.00 0.00 N ATOM 425 NH2 ARG A 29 7.284 2.877 15.112 1.00 0.00 N ATOM 0 H ARG A 29 3.629 4.260 9.272 1.00 0.00 H new ATOM 0 HA ARG A 29 1.917 5.859 11.079 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.628 3.923 12.326 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.264 4.039 11.709 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.659 6.090 12.971 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.981 6.154 13.475 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.127 5.226 15.331 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.348 3.856 14.563 1.00 0.00 H new ATOM 0 HE ARG A 29 5.819 3.859 13.358 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.733 4.012 16.715 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.166 3.186 17.336 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.657 2.801 14.166 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.813 2.503 15.900 1.00 0.00 H new ATOM 439 N ILE A 30 3.300 7.805 10.442 1.00 0.00 N ATOM 440 CA ILE A 30 4.104 8.992 10.175 1.00 0.00 C ATOM 441 C ILE A 30 4.661 9.581 11.467 1.00 0.00 C ATOM 442 O ILE A 30 4.225 9.224 12.561 1.00 0.00 O ATOM 443 CB ILE A 30 3.289 10.072 9.440 1.00 0.00 C ATOM 444 CG1 ILE A 30 2.109 10.527 10.304 1.00 0.00 C ATOM 445 CG2 ILE A 30 2.799 9.545 8.100 1.00 0.00 C ATOM 446 CD1 ILE A 30 1.358 11.707 9.728 1.00 0.00 C ATOM 0 H ILE A 30 2.300 7.984 10.530 1.00 0.00 H new ATOM 0 HA ILE A 30 4.930 8.676 9.537 1.00 0.00 H new ATOM 0 HB ILE A 30 3.934 10.931 9.256 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.418 9.693 10.429 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.476 10.789 11.296 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.225 10.320 7.592 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.654 9.265 7.484 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.167 8.672 8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.536 11.975 10.392 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.035 12.556 9.628 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.961 11.442 8.748 1.00 0.00 H new ATOM 583 N THR A 38 10.769 15.229 8.245 1.00 0.00 N ATOM 584 CA THR A 38 9.619 14.396 7.914 1.00 0.00 C ATOM 585 C THR A 38 10.015 12.928 7.809 1.00 0.00 C ATOM 586 O THR A 38 10.923 12.572 7.056 1.00 0.00 O ATOM 587 CB THR A 38 8.968 14.838 6.589 1.00 0.00 C ATOM 588 OG1 THR A 38 9.267 16.214 6.332 1.00 0.00 O ATOM 589 CG2 THR A 38 7.461 14.641 6.633 1.00 0.00 C ATOM 0 HA THR A 38 8.898 14.517 8.722 1.00 0.00 H new ATOM 0 HB THR A 38 9.375 14.222 5.787 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.101 16.414 5.387 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.025 14.960 5.687 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.236 13.587 6.799 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.040 15.234 7.445 1.00 0.00 H new ATOM 597 N LEU A 39 9.328 12.080 8.566 1.00 0.00 N ATOM 598 CA LEU A 39 9.609 10.648 8.558 1.00 0.00 C ATOM 599 C LEU A 39 8.322 9.841 8.417 1.00 0.00 C ATOM 600 O LEU A 39 7.302 10.167 9.028 1.00 0.00 O ATOM 601 CB LEU A 39 10.340 10.243 9.838 1.00 0.00 C ATOM 602 CG LEU A 39 10.661 8.755 9.986 1.00 0.00 C ATOM 603 CD1 LEU A 39 11.824 8.367 9.088 1.00 0.00 C ATOM 604 CD2 LEU A 39 10.971 8.419 11.437 1.00 0.00 C ATOM 0 H LEU A 39 8.573 12.358 9.193 1.00 0.00 H new ATOM 0 HA LEU A 39 10.247 10.434 7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.274 10.803 9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.735 10.550 10.691 1.00 0.00 H new ATOM 0 HG LEU A 39 9.786 8.182 9.679 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.037 7.305 9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.565 8.571 8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.705 8.947 9.363 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.197 7.356 11.524 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.830 9.001 11.770 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.108 8.658 12.058 1.00 0.00 H new ATOM 616 N THR A 40 8.374 8.788 7.609 1.00 0.00 N ATOM 617 CA THR A 40 7.213 7.934 7.389 1.00 0.00 C ATOM 618 C THR A 40 7.608 6.462 7.366 1.00 0.00 C ATOM 619 O THR A 40 8.463 6.050 6.582 1.00 0.00 O ATOM 620 CB THR A 40 6.501 8.283 6.068 1.00 0.00 C ATOM 621 OG1 THR A 40 6.054 9.643 6.097 1.00 0.00 O ATOM 622 CG2 THR A 40 5.316 7.359 5.832 1.00 0.00 C ATOM 0 H THR A 40 9.208 8.505 7.095 1.00 0.00 H new ATOM 0 HA THR A 40 6.530 8.111 8.220 1.00 0.00 H new ATOM 0 HB THR A 40 7.212 8.152 5.252 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.604 9.857 5.253 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.829 7.624 4.894 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.664 6.327 5.781 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.605 7.462 6.652 1.00 0.00 H new ATOM 630 N THR A 41 6.980 5.673 8.231 1.00 0.00 N ATOM 631 CA THR A 41 7.268 4.246 8.311 1.00 0.00 C ATOM 632 C THR A 41 6.166 3.425 7.651 1.00 0.00 C ATOM 633 O THR A 41 5.005 3.835 7.623 1.00 0.00 O ATOM 634 CB THR A 41 7.430 3.785 9.773 1.00 0.00 C ATOM 635 OG1 THR A 41 6.234 4.066 10.509 1.00 0.00 O ATOM 636 CG2 THR A 41 8.613 4.480 10.430 1.00 0.00 C ATOM 0 H THR A 41 6.269 5.997 8.886 1.00 0.00 H new ATOM 0 HA THR A 41 8.206 4.084 7.781 1.00 0.00 H new ATOM 0 HB THR A 41 7.613 2.711 9.776 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.169 5.030 10.672 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.708 4.140 11.461 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.525 4.241 9.883 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.454 5.558 10.417 1.00 0.00 H new ATOM 644 N VAL A 42 6.535 2.263 7.120 1.00 0.00 N ATOM 645 CA VAL A 42 5.577 1.384 6.461 1.00 0.00 C ATOM 646 C VAL A 42 5.888 -0.080 6.748 1.00 0.00 C ATOM 647 O VAL A 42 7.045 -0.454 6.936 1.00 0.00 O ATOM 648 CB VAL A 42 5.566 1.607 4.937 1.00 0.00 C ATOM 649 CG1 VAL A 42 4.435 0.821 4.292 1.00 0.00 C ATOM 650 CG2 VAL A 42 5.448 3.088 4.616 1.00 0.00 C ATOM 0 H VAL A 42 7.491 1.909 7.134 1.00 0.00 H new ATOM 0 HA VAL A 42 4.594 1.629 6.863 1.00 0.00 H new ATOM 0 HB VAL A 42 6.509 1.245 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.442 0.990 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.570 -0.242 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.481 1.150 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.442 3.227 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.522 3.479 5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.296 3.622 5.045 1.00 0.00 H new ATOM 660 N GLN A 43 4.846 -0.906 6.780 1.00 0.00 N ATOM 661 CA GLN A 43 5.008 -2.330 7.044 1.00 0.00 C ATOM 662 C GLN A 43 4.040 -3.155 6.201 1.00 0.00 C ATOM 663 O GLN A 43 3.086 -2.622 5.636 1.00 0.00 O ATOM 664 CB GLN A 43 4.787 -2.624 8.529 1.00 0.00 C ATOM 665 CG GLN A 43 5.348 -3.964 8.975 1.00 0.00 C ATOM 666 CD GLN A 43 4.294 -5.053 9.018 1.00 0.00 C ATOM 667 OE1 GLN A 43 4.452 -6.111 8.412 1.00 0.00 O ATOM 668 NE2 GLN A 43 3.210 -4.797 9.741 1.00 0.00 N ATOM 0 H GLN A 43 3.881 -0.613 6.626 1.00 0.00 H new ATOM 0 HA GLN A 43 6.026 -2.609 6.773 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.248 -1.832 9.120 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.718 -2.599 8.740 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.147 -4.263 8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.794 -3.856 9.964 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.121 -3.905 10.228 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.467 -5.492 9.810 1.00 0.00 H new ATOM 677 N GLY A 44 4.294 -4.457 6.121 1.00 0.00 N ATOM 678 CA GLY A 44 3.437 -5.334 5.345 1.00 0.00 C ATOM 679 C GLY A 44 4.068 -5.748 4.031 1.00 0.00 C ATOM 680 O GLY A 44 3.410 -6.340 3.176 1.00 0.00 O ATOM 0 H GLY A 44 5.078 -4.921 6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.208 -6.224 5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.491 -4.830 5.147 1.00 0.00 H new ATOM 684 N VAL A 45 5.349 -5.433 3.866 1.00 0.00 N ATOM 685 CA VAL A 45 6.071 -5.775 2.646 1.00 0.00 C ATOM 686 C VAL A 45 6.172 -7.287 2.474 1.00 0.00 C ATOM 687 O VAL A 45 6.506 -8.021 3.403 1.00 0.00 O ATOM 688 CB VAL A 45 7.489 -5.174 2.645 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.212 -5.511 1.350 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.429 -3.668 2.854 1.00 0.00 C ATOM 0 H VAL A 45 5.909 -4.941 4.563 1.00 0.00 H new ATOM 0 HA VAL A 45 5.506 -5.354 1.815 1.00 0.00 H new ATOM 0 HB VAL A 45 8.050 -5.611 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.212 -5.078 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.287 -6.593 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.655 -5.104 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.440 -3.260 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.851 -3.212 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.954 -3.452 3.811 1.00 0.00 H new ATOM 700 N PRO A 46 5.876 -7.762 1.256 1.00 0.00 N ATOM 701 CA PRO A 46 5.927 -9.192 0.930 1.00 0.00 C ATOM 702 C PRO A 46 7.354 -9.728 0.901 1.00 0.00 C ATOM 703 O PRO A 46 8.313 -8.974 1.057 1.00 0.00 O ATOM 704 CB PRO A 46 5.301 -9.260 -0.464 1.00 0.00 C ATOM 705 CG PRO A 46 5.529 -7.911 -1.050 1.00 0.00 C ATOM 706 CD PRO A 46 5.469 -6.945 0.101 1.00 0.00 C ATOM 0 HA PRO A 46 5.411 -9.799 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.767 -10.038 -1.069 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.238 -9.493 -0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.496 -7.861 -1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.770 -7.676 -1.797 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.140 -6.099 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.467 -6.537 0.231 1.00 0.00 H new ATOM 714 N GLU A 47 7.484 -11.037 0.700 1.00 0.00 N ATOM 715 CA GLU A 47 8.796 -11.674 0.652 1.00 0.00 C ATOM 716 C GLU A 47 9.517 -11.336 -0.651 1.00 0.00 C ATOM 717 O GLU A 47 10.743 -11.255 -0.690 1.00 0.00 O ATOM 718 CB GLU A 47 8.656 -13.190 0.792 1.00 0.00 C ATOM 719 CG GLU A 47 9.843 -13.851 1.471 1.00 0.00 C ATOM 720 CD GLU A 47 10.591 -14.796 0.549 1.00 0.00 C ATOM 721 OE1 GLU A 47 11.402 -14.309 -0.266 1.00 0.00 O ATOM 722 OE2 GLU A 47 10.365 -16.020 0.643 1.00 0.00 O ATOM 0 H GLU A 47 6.699 -11.675 0.568 1.00 0.00 H new ATOM 0 HA GLU A 47 9.388 -11.293 1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.753 -13.412 1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.525 -13.627 -0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.527 -13.081 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.496 -14.401 2.346 1.00 0.00 H new ATOM 729 N GLU A 48 8.743 -11.139 -1.714 1.00 0.00 N ATOM 730 CA GLU A 48 9.307 -10.813 -3.018 1.00 0.00 C ATOM 731 C GLU A 48 10.105 -9.513 -2.955 1.00 0.00 C ATOM 732 O GLU A 48 10.922 -9.231 -3.832 1.00 0.00 O ATOM 733 CB GLU A 48 8.197 -10.693 -4.063 1.00 0.00 C ATOM 734 CG GLU A 48 8.228 -11.788 -5.114 1.00 0.00 C ATOM 735 CD GLU A 48 7.001 -11.779 -6.006 1.00 0.00 C ATOM 736 OE1 GLU A 48 5.875 -11.822 -5.466 1.00 0.00 O ATOM 737 OE2 GLU A 48 7.167 -11.728 -7.242 1.00 0.00 O ATOM 0 H GLU A 48 7.725 -11.199 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 48 9.981 -11.620 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.231 -10.713 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.278 -9.725 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.120 -11.670 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.306 -12.757 -4.621 1.00 0.00 H new ATOM 744 N TYR A 49 9.862 -8.728 -1.912 1.00 0.00 N ATOM 745 CA TYR A 49 10.554 -7.456 -1.736 1.00 0.00 C ATOM 746 C TYR A 49 11.180 -7.366 -0.349 1.00 0.00 C ATOM 747 O TYR A 49 10.486 -7.150 0.646 1.00 0.00 O ATOM 748 CB TYR A 49 9.588 -6.290 -1.950 1.00 0.00 C ATOM 749 CG TYR A 49 10.193 -5.133 -2.710 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.796 -5.330 -3.948 1.00 0.00 C ATOM 751 CD2 TYR A 49 10.164 -3.844 -2.195 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.350 -4.276 -4.647 1.00 0.00 C ATOM 753 CE2 TYR A 49 10.715 -2.783 -2.888 1.00 0.00 C ATOM 754 CZ TYR A 49 11.307 -3.005 -4.113 1.00 0.00 C ATOM 755 OH TYR A 49 11.859 -1.951 -4.806 1.00 0.00 O ATOM 0 H TYR A 49 9.192 -8.949 -1.176 1.00 0.00 H new ATOM 0 HA TYR A 49 11.350 -7.398 -2.479 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.712 -6.650 -2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.241 -5.934 -0.980 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.831 -6.324 -4.369 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.702 -3.667 -1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.815 -4.446 -5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.682 -1.787 -2.473 1.00 0.00 H new ATOM 0 HH TYR A 49 11.543 -1.106 -4.423 1.00 0.00 H new ATOM 765 N ASP A 50 12.498 -7.532 -0.287 1.00 0.00 N ATOM 766 CA ASP A 50 13.219 -7.467 0.978 1.00 0.00 C ATOM 767 C ASP A 50 13.608 -6.029 1.308 1.00 0.00 C ATOM 768 O ASP A 50 13.312 -5.105 0.551 1.00 0.00 O ATOM 769 CB ASP A 50 14.469 -8.347 0.923 1.00 0.00 C ATOM 770 CG ASP A 50 14.394 -9.520 1.881 1.00 0.00 C ATOM 771 OD1 ASP A 50 13.386 -10.256 1.840 1.00 0.00 O ATOM 772 OD2 ASP A 50 15.344 -9.702 2.669 1.00 0.00 O ATOM 0 H ASP A 50 13.088 -7.713 -1.099 1.00 0.00 H new ATOM 0 HA ASP A 50 12.559 -7.836 1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.603 -8.719 -0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.345 -7.744 1.160 1.00 0.00 H new ATOM 777 N LEU A 51 14.274 -5.848 2.444 1.00 0.00 N ATOM 778 CA LEU A 51 14.704 -4.523 2.876 1.00 0.00 C ATOM 779 C LEU A 51 15.833 -4.001 1.993 1.00 0.00 C ATOM 780 O LEU A 51 16.015 -2.794 1.846 1.00 0.00 O ATOM 781 CB LEU A 51 15.159 -4.564 4.336 1.00 0.00 C ATOM 782 CG LEU A 51 14.049 -4.516 5.387 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.223 -3.250 5.233 1.00 0.00 C ATOM 784 CD2 LEU A 51 13.165 -5.750 5.283 1.00 0.00 C ATOM 0 H LEU A 51 14.528 -6.602 3.082 1.00 0.00 H new ATOM 0 HA LEU A 51 13.855 -3.845 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.738 -5.475 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.833 -3.725 4.509 1.00 0.00 H new ATOM 0 HG LEU A 51 14.509 -4.505 6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.438 -3.233 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 51 13.866 -2.379 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.772 -3.229 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.380 -5.700 6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.713 -5.791 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.768 -6.644 5.445 1.00 0.00 H new ATOM 796 N LYS A 52 16.591 -4.922 1.405 1.00 0.00 N ATOM 797 CA LYS A 52 17.701 -4.558 0.533 1.00 0.00 C ATOM 798 C LYS A 52 17.198 -4.169 -0.853 1.00 0.00 C ATOM 799 O LYS A 52 17.767 -3.295 -1.508 1.00 0.00 O ATOM 800 CB LYS A 52 18.692 -5.719 0.423 1.00 0.00 C ATOM 801 CG LYS A 52 19.929 -5.387 -0.394 1.00 0.00 C ATOM 802 CD LYS A 52 20.955 -6.507 -0.333 1.00 0.00 C ATOM 803 CE LYS A 52 22.277 -6.086 -0.954 1.00 0.00 C ATOM 804 NZ LYS A 52 23.383 -6.081 0.043 1.00 0.00 N ATOM 0 H LYS A 52 16.456 -5.927 1.517 1.00 0.00 H new ATOM 0 HA LYS A 52 18.208 -3.698 0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.998 -6.020 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.188 -6.574 -0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.644 -5.209 -1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.374 -4.464 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.116 -6.798 0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.570 -7.383 -0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.527 -6.764 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.174 -5.091 -1.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.267 -5.788 -0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.157 -5.415 0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.499 -7.036 0.438 1.00 0.00 H new ATOM 818 N ARG A 53 16.131 -4.824 -1.296 1.00 0.00 N ATOM 819 CA ARG A 53 15.552 -4.547 -2.605 1.00 0.00 C ATOM 820 C ARG A 53 14.792 -3.224 -2.594 1.00 0.00 C ATOM 821 O ARG A 53 14.768 -2.502 -3.592 1.00 0.00 O ATOM 822 CB ARG A 53 14.616 -5.682 -3.023 1.00 0.00 C ATOM 823 CG ARG A 53 14.351 -5.734 -4.519 1.00 0.00 C ATOM 824 CD ARG A 53 13.430 -6.887 -4.883 1.00 0.00 C ATOM 825 NE ARG A 53 14.164 -8.024 -5.429 1.00 0.00 N ATOM 826 CZ ARG A 53 13.602 -8.980 -6.163 1.00 0.00 C ATOM 827 NH1 ARG A 53 12.305 -8.933 -6.435 1.00 0.00 N ATOM 828 NH2 ARG A 53 14.338 -9.983 -6.624 1.00 0.00 N ATOM 0 H ARG A 53 15.649 -5.551 -0.767 1.00 0.00 H new ATOM 0 HA ARG A 53 16.366 -4.473 -3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.046 -6.632 -2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.667 -5.571 -2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.904 -4.794 -4.843 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.295 -5.839 -5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.878 -7.203 -3.998 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.695 -6.547 -5.612 1.00 0.00 H new ATOM 0 HE ARG A 53 15.164 -8.089 -5.237 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.737 -8.163 -6.081 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.875 -9.667 -6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.336 -10.021 -6.415 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.906 -10.716 -7.187 1.00 0.00 H new ATOM 842 N ILE A 54 14.170 -2.913 -1.461 1.00 0.00 N ATOM 843 CA ILE A 54 13.411 -1.677 -1.321 1.00 0.00 C ATOM 844 C ILE A 54 14.333 -0.493 -1.049 1.00 0.00 C ATOM 845 O ILE A 54 14.059 0.630 -1.472 1.00 0.00 O ATOM 846 CB ILE A 54 12.376 -1.780 -0.186 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.508 -0.520 -0.144 1.00 0.00 C ATOM 848 CG2 ILE A 54 13.074 -1.992 1.149 1.00 0.00 C ATOM 849 CD1 ILE A 54 10.135 -0.753 0.449 1.00 0.00 C ATOM 0 H ILE A 54 14.177 -3.500 -0.627 1.00 0.00 H new ATOM 0 HA ILE A 54 12.889 -1.517 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 54 11.731 -2.638 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.021 0.246 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.397 -0.131 -1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.329 -2.063 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.655 -2.914 1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.739 -1.152 1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.575 0.182 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.603 -1.496 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 54 10.237 -1.113 1.473 1.00 0.00 H new ATOM 861 N LEU A 55 15.426 -0.752 -0.341 1.00 0.00 N ATOM 862 CA LEU A 55 16.390 0.292 -0.015 1.00 0.00 C ATOM 863 C LEU A 55 17.257 0.632 -1.223 1.00 0.00 C ATOM 864 O LEU A 55 17.719 1.764 -1.372 1.00 0.00 O ATOM 865 CB LEU A 55 17.276 -0.150 1.154 1.00 0.00 C ATOM 866 CG LEU A 55 18.475 0.746 1.464 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.013 2.078 2.031 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.422 0.052 2.432 1.00 0.00 C ATOM 0 H LEU A 55 15.667 -1.676 0.018 1.00 0.00 H new ATOM 0 HA LEU A 55 15.835 1.185 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.656 -0.216 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.643 -1.155 0.946 1.00 0.00 H new ATOM 0 HG LEU A 55 19.012 0.937 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 55 18.880 2.703 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.375 2.581 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.452 1.907 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.270 0.704 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.896 -0.169 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.780 -0.877 1.988 1.00 0.00 H new ATOM 880 N LYS A 56 17.473 -0.356 -2.086 1.00 0.00 N ATOM 881 CA LYS A 56 18.280 -0.162 -3.284 1.00 0.00 C ATOM 882 C LYS A 56 17.467 0.516 -4.385 1.00 0.00 C ATOM 883 O LYS A 56 17.979 1.365 -5.113 1.00 0.00 O ATOM 884 CB LYS A 56 18.816 -1.504 -3.785 1.00 0.00 C ATOM 885 CG LYS A 56 19.873 -1.372 -4.869 1.00 0.00 C ATOM 886 CD LYS A 56 21.269 -1.274 -4.278 1.00 0.00 C ATOM 887 CE LYS A 56 22.045 -2.568 -4.461 1.00 0.00 C ATOM 888 NZ LYS A 56 23.506 -2.376 -4.244 1.00 0.00 N ATOM 0 H LYS A 56 17.100 -1.299 -1.977 1.00 0.00 H new ATOM 0 HA LYS A 56 19.119 0.484 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.237 -2.054 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.986 -2.096 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.819 -2.232 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 56 19.669 -0.487 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.809 -0.455 -4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 56 21.200 -1.037 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 56 21.670 -3.318 -3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.875 -2.954 -5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.999 -3.282 -4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.870 -1.680 -4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.671 -2.032 -3.276 1.00 0.00 H new ATOM 902 N VAL A 57 16.199 0.134 -4.497 1.00 0.00 N ATOM 903 CA VAL A 57 15.316 0.706 -5.506 1.00 0.00 C ATOM 904 C VAL A 57 14.883 2.115 -5.122 1.00 0.00 C ATOM 905 O VAL A 57 14.771 2.997 -5.975 1.00 0.00 O ATOM 906 CB VAL A 57 14.063 -0.166 -5.713 1.00 0.00 C ATOM 907 CG1 VAL A 57 13.067 0.538 -6.622 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.446 -1.524 -6.278 1.00 0.00 C ATOM 0 H VAL A 57 15.760 -0.569 -3.902 1.00 0.00 H new ATOM 0 HA VAL A 57 15.881 0.744 -6.437 1.00 0.00 H new ATOM 0 HB VAL A 57 13.587 -0.323 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.188 -0.093 -6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.768 1.484 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.529 0.728 -7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.548 -2.126 -6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.947 -1.391 -7.237 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.118 -2.030 -5.585 1.00 0.00 H new ATOM 918 N LEU A 58 14.640 2.324 -3.832 1.00 0.00 N ATOM 919 CA LEU A 58 14.220 3.628 -3.333 1.00 0.00 C ATOM 920 C LEU A 58 15.371 4.628 -3.388 1.00 0.00 C ATOM 921 O LEU A 58 15.197 5.770 -3.814 1.00 0.00 O ATOM 922 CB LEU A 58 13.704 3.505 -1.899 1.00 0.00 C ATOM 923 CG LEU A 58 12.305 2.908 -1.737 1.00 0.00 C ATOM 924 CD1 LEU A 58 11.952 2.765 -0.266 1.00 0.00 C ATOM 925 CD2 LEU A 58 11.273 3.766 -2.456 1.00 0.00 C ATOM 0 H LEU A 58 14.727 1.606 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 58 13.415 3.993 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.406 2.893 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.709 4.497 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 58 12.300 1.915 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.953 2.339 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.674 2.109 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.975 3.745 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.283 3.327 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.280 4.772 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.516 3.815 -3.517 1.00 0.00 H new ATOM 937 N LYS A 59 16.549 4.191 -2.955 1.00 0.00 N ATOM 938 CA LYS A 59 17.729 5.046 -2.957 1.00 0.00 C ATOM 939 C LYS A 59 18.190 5.335 -4.383 1.00 0.00 C ATOM 940 O LYS A 59 18.721 6.407 -4.670 1.00 0.00 O ATOM 941 CB LYS A 59 18.863 4.386 -2.168 1.00 0.00 C ATOM 942 CG LYS A 59 18.653 4.413 -0.664 1.00 0.00 C ATOM 943 CD LYS A 59 19.233 5.672 -0.042 1.00 0.00 C ATOM 944 CE LYS A 59 20.215 5.342 1.071 1.00 0.00 C ATOM 945 NZ LYS A 59 20.892 6.563 1.594 1.00 0.00 N ATOM 0 H LYS A 59 16.711 3.249 -2.598 1.00 0.00 H new ATOM 0 HA LYS A 59 17.464 5.990 -2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.966 3.351 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.800 4.890 -2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.587 4.355 -0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 59 19.119 3.536 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.736 6.260 -0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.426 6.288 0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 59 19.688 4.842 1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 59 20.964 4.643 0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 21.308 6.358 2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 21.643 6.853 0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 20.198 7.332 1.687 1.00 0.00 H new ATOM 959 N LYS A 60 17.983 4.371 -5.273 1.00 0.00 N ATOM 960 CA LYS A 60 18.373 4.522 -6.670 1.00 0.00 C ATOM 961 C LYS A 60 17.316 5.297 -7.449 1.00 0.00 C ATOM 962 O LYS A 60 17.627 5.974 -8.430 1.00 0.00 O ATOM 963 CB LYS A 60 18.591 3.150 -7.311 1.00 0.00 C ATOM 964 CG LYS A 60 18.955 3.217 -8.785 1.00 0.00 C ATOM 965 CD LYS A 60 20.091 2.266 -9.123 1.00 0.00 C ATOM 966 CE LYS A 60 20.727 2.612 -10.460 1.00 0.00 C ATOM 967 NZ LYS A 60 22.069 1.985 -10.613 1.00 0.00 N ATOM 0 H LYS A 60 17.547 3.476 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 60 19.307 5.083 -6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.383 2.629 -6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 60 17.684 2.557 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 60 18.081 2.970 -9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 60 19.243 4.236 -9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 60 20.846 2.306 -8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 60 19.715 1.243 -9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 60 20.076 2.280 -11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 60 20.819 3.694 -10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 22.470 2.244 -11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 22.698 2.321 -9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 21.978 0.951 -10.553 1.00 0.00 H new ATOM 981 N ASP A 61 16.068 5.195 -7.007 1.00 0.00 N ATOM 982 CA ASP A 61 14.965 5.889 -7.663 1.00 0.00 C ATOM 983 C ASP A 61 15.066 7.395 -7.445 1.00 0.00 C ATOM 984 O ASP A 61 15.288 8.155 -8.388 1.00 0.00 O ATOM 985 CB ASP A 61 13.625 5.373 -7.137 1.00 0.00 C ATOM 986 CG ASP A 61 12.469 6.282 -7.505 1.00 0.00 C ATOM 987 OD1 ASP A 61 12.418 6.734 -8.668 1.00 0.00 O ATOM 988 OD2 ASP A 61 11.617 6.540 -6.631 1.00 0.00 O ATOM 0 H ASP A 61 15.794 4.639 -6.197 1.00 0.00 H new ATOM 0 HA ASP A 61 15.027 5.690 -8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.441 4.376 -7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.677 5.277 -6.052 1.00 0.00 H new ATOM 993 N PHE A 62 14.900 7.820 -6.197 1.00 0.00 N ATOM 994 CA PHE A 62 14.968 9.236 -5.856 1.00 0.00 C ATOM 995 C PHE A 62 15.694 9.441 -4.530 1.00 0.00 C ATOM 996 O PHE A 62 15.362 10.342 -3.759 1.00 0.00 O ATOM 997 CB PHE A 62 13.562 9.833 -5.777 1.00 0.00 C ATOM 998 CG PHE A 62 12.963 10.134 -7.120 1.00 0.00 C ATOM 999 CD1 PHE A 62 13.583 11.019 -7.988 1.00 0.00 C ATOM 1000 CD2 PHE A 62 11.779 9.533 -7.517 1.00 0.00 C ATOM 1001 CE1 PHE A 62 13.033 11.299 -9.225 1.00 0.00 C ATOM 1002 CE2 PHE A 62 11.225 9.808 -8.753 1.00 0.00 C ATOM 1003 CZ PHE A 62 11.853 10.691 -9.608 1.00 0.00 C ATOM 0 H PHE A 62 14.717 7.204 -5.405 1.00 0.00 H new ATOM 0 HA PHE A 62 15.527 9.746 -6.640 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.911 9.140 -5.245 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.598 10.751 -5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.507 11.495 -7.694 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.283 8.841 -6.852 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.525 11.992 -9.891 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.302 9.333 -9.049 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.423 10.906 -10.575 1.00 0.00 H new ATOM 1013 N ALA A 63 16.689 8.597 -4.271 1.00 0.00 N ATOM 1014 CA ALA A 63 17.463 8.686 -3.038 1.00 0.00 C ATOM 1015 C ALA A 63 16.551 8.732 -1.818 1.00 0.00 C ATOM 1016 O ALA A 63 16.568 9.698 -1.054 1.00 0.00 O ATOM 1017 CB ALA A 63 18.368 9.910 -3.071 1.00 0.00 C ATOM 0 H ALA A 63 16.977 7.845 -4.897 1.00 0.00 H new ATOM 0 HA ALA A 63 18.082 7.792 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.940 9.965 -2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.052 9.834 -3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.761 10.809 -3.176 1.00 0.00 H new ATOM 1023 N CYS A 64 15.757 7.683 -1.640 1.00 0.00 N ATOM 1024 CA CYS A 64 14.835 7.603 -0.511 1.00 0.00 C ATOM 1025 C CYS A 64 15.417 6.745 0.607 1.00 0.00 C ATOM 1026 O CYS A 64 15.251 5.526 0.617 1.00 0.00 O ATOM 1027 CB CYS A 64 13.491 7.032 -0.963 1.00 0.00 C ATOM 1028 SG CYS A 64 12.148 8.242 -0.999 1.00 0.00 S ATOM 0 H CYS A 64 15.732 6.875 -2.262 1.00 0.00 H new ATOM 0 HA CYS A 64 14.682 8.611 -0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.607 6.604 -1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 64 13.212 6.216 -0.296 1.00 0.00 H new ATOM 0 HG CYS A 64 11.053 7.664 -1.396 1.00 0.00 H new ATOM 1034 N ASN A 65 16.102 7.389 1.546 1.00 0.00 N ATOM 1035 CA ASN A 65 16.711 6.684 2.667 1.00 0.00 C ATOM 1036 C ASN A 65 15.699 5.768 3.348 1.00 0.00 C ATOM 1037 O ASN A 65 14.832 6.227 4.091 1.00 0.00 O ATOM 1038 CB ASN A 65 17.273 7.684 3.680 1.00 0.00 C ATOM 1039 CG ASN A 65 18.571 7.208 4.304 1.00 0.00 C ATOM 1040 OD1 ASN A 65 18.610 6.172 4.969 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.643 7.964 4.091 1.00 0.00 N ATOM 0 H ASN A 65 16.249 8.398 1.553 1.00 0.00 H new ATOM 0 HA ASN A 65 17.526 6.072 2.280 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.440 8.642 3.187 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.537 7.854 4.465 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.544 7.694 4.485 1.00 0.00 H new ATOM 0 HD22 ASN A 65 19.565 8.815 3.534 1.00 0.00 H new ATOM 1048 N GLY A 66 15.816 4.469 3.089 1.00 0.00 N ATOM 1049 CA GLY A 66 14.907 3.509 3.685 1.00 0.00 C ATOM 1050 C GLY A 66 15.551 2.717 4.804 1.00 0.00 C ATOM 1051 O GLY A 66 16.245 1.732 4.558 1.00 0.00 O ATOM 0 H GLY A 66 16.525 4.065 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.033 4.033 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.553 2.823 2.916 1.00 0.00 H new ATOM 1055 N ASN A 67 15.322 3.149 6.041 1.00 0.00 N ATOM 1056 CA ASN A 67 15.886 2.474 7.203 1.00 0.00 C ATOM 1057 C ASN A 67 15.049 1.257 7.588 1.00 0.00 C ATOM 1058 O ASN A 67 13.968 1.039 7.040 1.00 0.00 O ATOM 1059 CB ASN A 67 15.976 3.440 8.387 1.00 0.00 C ATOM 1060 CG ASN A 67 16.296 4.857 7.953 1.00 0.00 C ATOM 1061 OD1 ASN A 67 15.434 5.572 7.442 1.00 0.00 O ATOM 1062 ND2 ASN A 67 17.543 5.270 8.155 1.00 0.00 N ATOM 0 H ASN A 67 14.750 3.964 6.263 1.00 0.00 H new ATOM 0 HA ASN A 67 16.888 2.134 6.942 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.031 3.434 8.930 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.744 3.093 9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.818 6.214 7.883 1.00 0.00 H new ATOM 0 HD22 ASN A 67 18.225 4.643 8.582 1.00 0.00 H new ATOM 1069 N ILE A 68 15.557 0.470 8.530 1.00 0.00 N ATOM 1070 CA ILE A 68 14.855 -0.722 8.988 1.00 0.00 C ATOM 1071 C ILE A 68 14.812 -0.784 10.510 1.00 0.00 C ATOM 1072 O ILE A 68 15.828 -0.590 11.180 1.00 0.00 O ATOM 1073 CB ILE A 68 15.516 -2.005 8.451 1.00 0.00 C ATOM 1074 CG1 ILE A 68 15.766 -1.886 6.946 1.00 0.00 C ATOM 1075 CG2 ILE A 68 14.646 -3.217 8.755 1.00 0.00 C ATOM 1076 CD1 ILE A 68 17.116 -1.298 6.602 1.00 0.00 C ATOM 0 H ILE A 68 16.452 0.636 8.991 1.00 0.00 H new ATOM 0 HA ILE A 68 13.838 -0.658 8.601 1.00 0.00 H new ATOM 0 HB ILE A 68 16.476 -2.137 8.950 1.00 0.00 H new ATOM 0 HG12 ILE A 68 15.683 -2.874 6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 68 14.986 -1.266 6.504 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.127 -4.116 8.369 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.515 -3.310 9.833 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.672 -3.094 8.281 1.00 0.00 H new ATOM 0 HD11 ILE A 68 17.224 -1.244 5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 68 17.195 -0.297 7.025 1.00 0.00 H new ATOM 0 HD13 ILE A 68 17.903 -1.929 7.014 1.00 0.00 H new ATOM 1088 N VAL A 69 13.630 -1.056 11.054 1.00 0.00 N ATOM 1089 CA VAL A 69 13.454 -1.148 12.498 1.00 0.00 C ATOM 1090 C VAL A 69 12.708 -2.420 12.883 1.00 0.00 C ATOM 1091 O VAL A 69 12.154 -3.111 12.027 1.00 0.00 O ATOM 1092 CB VAL A 69 12.688 0.070 13.049 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.120 0.375 14.475 1.00 0.00 C ATOM 1094 CG2 VAL A 69 12.895 1.280 12.149 1.00 0.00 C ATOM 0 H VAL A 69 12.779 -1.217 10.515 1.00 0.00 H new ATOM 0 HA VAL A 69 14.452 -1.170 12.936 1.00 0.00 H new ATOM 0 HB VAL A 69 11.624 -0.168 13.062 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.567 1.238 14.846 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.915 -0.487 15.110 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.188 0.593 14.493 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.347 2.132 12.553 1.00 0.00 H new ATOM 0 HG22 VAL A 69 13.957 1.521 12.102 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.529 1.055 11.147 1.00 0.00 H new ATOM 1104 N LYS A 70 12.695 -2.724 14.175 1.00 0.00 N ATOM 1105 CA LYS A 70 12.015 -3.913 14.675 1.00 0.00 C ATOM 1106 C LYS A 70 11.189 -3.587 15.917 1.00 0.00 C ATOM 1107 O LYS A 70 11.739 -3.281 16.975 1.00 0.00 O ATOM 1108 CB LYS A 70 13.032 -5.009 15.000 1.00 0.00 C ATOM 1109 CG LYS A 70 12.402 -6.291 15.517 1.00 0.00 C ATOM 1110 CD LYS A 70 13.393 -7.116 16.320 1.00 0.00 C ATOM 1111 CE LYS A 70 13.286 -8.597 15.986 1.00 0.00 C ATOM 1112 NZ LYS A 70 14.355 -9.393 16.649 1.00 0.00 N ATOM 0 H LYS A 70 13.148 -2.163 14.896 1.00 0.00 H new ATOM 0 HA LYS A 70 11.342 -4.270 13.896 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.610 -5.234 14.103 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.733 -4.633 15.745 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.541 -6.049 16.139 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.033 -6.880 14.677 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.406 -6.768 16.117 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.213 -6.968 17.385 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.310 -8.970 16.297 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.350 -8.731 14.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.248 -10.396 16.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.286 -9.054 16.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.279 -9.285 17.681 1.00 0.00 H new ATOM 1126 N ASP A 71 9.870 -3.655 15.779 1.00 0.00 N ATOM 1127 CA ASP A 71 8.970 -3.369 16.889 1.00 0.00 C ATOM 1128 C ASP A 71 8.557 -4.655 17.598 1.00 0.00 C ATOM 1129 O ASP A 71 8.640 -5.752 17.046 1.00 0.00 O ATOM 1130 CB ASP A 71 7.731 -2.626 16.390 1.00 0.00 C ATOM 1131 CG ASP A 71 7.684 -1.188 16.872 1.00 0.00 C ATOM 1132 OD1 ASP A 71 8.732 -0.510 16.813 1.00 0.00 O ATOM 1133 OD2 ASP A 71 6.603 -0.741 17.304 1.00 0.00 O ATOM 0 H ASP A 71 9.400 -3.906 14.909 1.00 0.00 H new ATOM 0 HA ASP A 71 9.500 -2.737 17.601 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.716 -2.641 15.300 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.837 -3.149 16.728 1.00 0.00 H new ATOM 1138 N PRO A 72 8.099 -4.519 18.851 1.00 0.00 N ATOM 1139 CA PRO A 72 7.663 -5.659 19.664 1.00 0.00 C ATOM 1140 C PRO A 72 6.364 -6.273 19.152 1.00 0.00 C ATOM 1141 O PRO A 72 5.927 -7.315 19.637 1.00 0.00 O ATOM 1142 CB PRO A 72 7.456 -5.048 21.052 1.00 0.00 C ATOM 1143 CG PRO A 72 7.171 -3.608 20.793 1.00 0.00 C ATOM 1144 CD PRO A 72 7.972 -3.241 19.573 1.00 0.00 C ATOM 0 HA PRO A 72 8.388 -6.473 19.646 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.629 -5.527 21.576 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.342 -5.171 21.675 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.106 -3.445 20.625 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.457 -2.994 21.647 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.464 -2.488 18.971 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.946 -2.832 19.840 1.00 0.00 H new ATOM 1152 N GLU A 73 5.753 -5.618 18.169 1.00 0.00 N ATOM 1153 CA GLU A 73 4.503 -6.101 17.593 1.00 0.00 C ATOM 1154 C GLU A 73 4.766 -6.923 16.335 1.00 0.00 C ATOM 1155 O GLU A 73 4.255 -8.033 16.188 1.00 0.00 O ATOM 1156 CB GLU A 73 3.581 -4.926 17.264 1.00 0.00 C ATOM 1157 CG GLU A 73 2.133 -5.332 17.044 1.00 0.00 C ATOM 1158 CD GLU A 73 1.281 -4.192 16.520 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.814 -3.073 16.365 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.080 -4.420 16.264 1.00 0.00 O ATOM 0 H GLU A 73 6.102 -4.753 17.756 1.00 0.00 H new ATOM 0 HA GLU A 73 4.016 -6.741 18.329 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.627 -4.201 18.076 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.949 -4.426 16.368 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.095 -6.163 16.339 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.714 -5.692 17.983 1.00 0.00 H new ATOM 1167 N MET A 74 5.568 -6.369 15.430 1.00 0.00 N ATOM 1168 CA MET A 74 5.899 -7.052 14.184 1.00 0.00 C ATOM 1169 C MET A 74 7.395 -7.339 14.105 1.00 0.00 C ATOM 1170 O MET A 74 7.821 -8.492 14.182 1.00 0.00 O ATOM 1171 CB MET A 74 5.466 -6.207 12.984 1.00 0.00 C ATOM 1172 CG MET A 74 4.518 -6.932 12.042 1.00 0.00 C ATOM 1173 SD MET A 74 2.815 -6.928 12.632 1.00 0.00 S ATOM 1174 CE MET A 74 2.041 -8.018 11.439 1.00 0.00 C ATOM 0 H MET A 74 6.000 -5.451 15.536 1.00 0.00 H new ATOM 0 HA MET A 74 5.362 -8.000 14.163 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.983 -5.299 13.345 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.352 -5.898 12.429 1.00 0.00 H new ATOM 0 HG2 MET A 74 4.559 -6.462 11.059 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.853 -7.962 11.917 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.981 -8.117 11.671 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.156 -7.602 10.438 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.515 -8.999 11.481 1.00 0.00 H new ATOM 1184 N GLY A 75 8.190 -6.285 13.947 1.00 0.00 N ATOM 1185 CA GLY A 75 9.630 -6.447 13.859 1.00 0.00 C ATOM 1186 C GLY A 75 10.143 -6.294 12.440 1.00 0.00 C ATOM 1187 O GLY A 75 11.107 -6.952 12.050 1.00 0.00 O ATOM 0 H GLY A 75 7.863 -5.321 13.878 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.116 -5.711 14.499 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.906 -7.431 14.238 1.00 0.00 H new ATOM 1191 N GLU A 76 9.497 -5.426 11.668 1.00 0.00 N ATOM 1192 CA GLU A 76 9.894 -5.193 10.285 1.00 0.00 C ATOM 1193 C GLU A 76 9.431 -3.819 9.811 1.00 0.00 C ATOM 1194 O GLU A 76 8.985 -3.660 8.674 1.00 0.00 O ATOM 1195 CB GLU A 76 9.317 -6.280 9.375 1.00 0.00 C ATOM 1196 CG GLU A 76 10.322 -6.839 8.383 1.00 0.00 C ATOM 1197 CD GLU A 76 11.206 -7.913 8.988 1.00 0.00 C ATOM 1198 OE1 GLU A 76 10.664 -8.953 9.418 1.00 0.00 O ATOM 1199 OE2 GLU A 76 12.438 -7.713 9.033 1.00 0.00 O ATOM 0 H GLU A 76 8.697 -4.873 11.977 1.00 0.00 H new ATOM 0 HA GLU A 76 10.982 -5.228 10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.936 -7.094 9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.468 -5.871 8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.790 -7.252 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.947 -6.028 8.009 1.00 0.00 H new ATOM 1206 N ILE A 77 9.538 -2.829 10.690 1.00 0.00 N ATOM 1207 CA ILE A 77 9.132 -1.468 10.361 1.00 0.00 C ATOM 1208 C ILE A 77 10.142 -0.801 9.434 1.00 0.00 C ATOM 1209 O ILE A 77 11.205 -0.361 9.872 1.00 0.00 O ATOM 1210 CB ILE A 77 8.969 -0.608 11.629 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.925 -1.227 12.561 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.577 0.815 11.256 1.00 0.00 C ATOM 1213 CD1 ILE A 77 7.750 -0.471 13.859 1.00 0.00 C ATOM 0 H ILE A 77 9.902 -2.944 11.636 1.00 0.00 H new ATOM 0 HA ILE A 77 8.170 -1.540 9.854 1.00 0.00 H new ATOM 0 HB ILE A 77 9.924 -0.576 12.154 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.967 -1.270 12.043 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.213 -2.254 12.784 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.465 1.411 12.162 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.352 1.253 10.627 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.633 0.801 10.712 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.995 -0.966 14.470 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.697 -0.450 14.399 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.432 0.549 13.646 1.00 0.00 H new ATOM 1225 N ILE A 78 9.801 -0.726 8.152 1.00 0.00 N ATOM 1226 CA ILE A 78 10.677 -0.110 7.165 1.00 0.00 C ATOM 1227 C ILE A 78 10.546 1.409 7.186 1.00 0.00 C ATOM 1228 O ILE A 78 9.608 1.968 6.620 1.00 0.00 O ATOM 1229 CB ILE A 78 10.370 -0.620 5.743 1.00 0.00 C ATOM 1230 CG1 ILE A 78 10.260 -2.146 5.739 1.00 0.00 C ATOM 1231 CG2 ILE A 78 11.445 -0.158 4.771 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.833 -2.649 5.727 1.00 0.00 C ATOM 0 H ILE A 78 8.924 -1.084 7.773 1.00 0.00 H new ATOM 0 HA ILE A 78 11.697 -0.389 7.431 1.00 0.00 H new ATOM 0 HB ILE A 78 9.415 -0.204 5.421 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.782 -2.538 4.866 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.769 -2.541 6.618 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.214 -0.526 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.480 0.931 4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.413 -0.548 5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.831 -3.739 5.725 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.312 -2.287 6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.326 -2.284 4.834 1.00 0.00 H new ATOM 1244 N GLN A 79 11.497 2.070 7.840 1.00 0.00 N ATOM 1245 CA GLN A 79 11.488 3.524 7.934 1.00 0.00 C ATOM 1246 C GLN A 79 11.815 4.160 6.586 1.00 0.00 C ATOM 1247 O GLN A 79 12.598 3.616 5.805 1.00 0.00 O ATOM 1248 CB GLN A 79 12.491 3.995 8.988 1.00 0.00 C ATOM 1249 CG GLN A 79 11.844 4.684 10.179 1.00 0.00 C ATOM 1250 CD GLN A 79 12.859 5.338 11.097 1.00 0.00 C ATOM 1251 OE1 GLN A 79 13.681 6.220 10.538 1.00 0.00 O flip ATOM 1252 NE2 GLN A 79 12.903 5.055 12.294 1.00 0.00 N flip ATOM 0 H GLN A 79 12.282 1.621 8.312 1.00 0.00 H new ATOM 0 HA GLN A 79 10.486 3.836 8.230 1.00 0.00 H new ATOM 0 HB2 GLN A 79 13.063 3.137 9.342 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.199 4.681 8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.144 5.439 9.821 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.264 3.955 10.745 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.252 4.372 12.681 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.590 5.504 12.899 1.00 0.00 H new ATOM 1261 N LEU A 80 11.210 5.311 6.317 1.00 0.00 N ATOM 1262 CA LEU A 80 11.435 6.020 5.062 1.00 0.00 C ATOM 1263 C LEU A 80 11.633 7.512 5.308 1.00 0.00 C ATOM 1264 O LEU A 80 10.736 8.193 5.803 1.00 0.00 O ATOM 1265 CB LEU A 80 10.259 5.800 4.110 1.00 0.00 C ATOM 1266 CG LEU A 80 10.605 5.220 2.738 1.00 0.00 C ATOM 1267 CD1 LEU A 80 11.562 6.140 1.995 1.00 0.00 C ATOM 1268 CD2 LEU A 80 11.204 3.828 2.883 1.00 0.00 C ATOM 0 H LEU A 80 10.559 5.774 6.951 1.00 0.00 H new ATOM 0 HA LEU A 80 12.342 5.622 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.545 5.134 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.754 6.755 3.962 1.00 0.00 H new ATOM 0 HG LEU A 80 9.687 5.140 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.797 5.711 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.096 7.116 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 80 12.480 6.253 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.444 3.431 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.112 3.883 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.485 3.172 3.373 1.00 0.00 H new ATOM 1280 N GLN A 81 12.814 8.013 4.957 1.00 0.00 N ATOM 1281 CA GLN A 81 13.128 9.425 5.139 1.00 0.00 C ATOM 1282 C GLN A 81 12.961 10.192 3.831 1.00 0.00 C ATOM 1283 O GLN A 81 13.649 9.922 2.848 1.00 0.00 O ATOM 1284 CB GLN A 81 14.557 9.588 5.661 1.00 0.00 C ATOM 1285 CG GLN A 81 14.811 10.929 6.330 1.00 0.00 C ATOM 1286 CD GLN A 81 15.908 11.724 5.651 1.00 0.00 C ATOM 1287 OE1 GLN A 81 15.722 12.891 5.308 1.00 0.00 O ATOM 1288 NE2 GLN A 81 17.060 11.092 5.453 1.00 0.00 N ATOM 0 H GLN A 81 13.568 7.462 4.546 1.00 0.00 H new ATOM 0 HA GLN A 81 12.432 9.835 5.871 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.768 8.790 6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.254 9.467 4.832 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.890 11.512 6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.080 10.764 7.373 1.00 0.00 H new ATOM 0 HE21 GLN A 81 17.169 10.124 5.754 1.00 0.00 H new ATOM 0 HE22 GLN A 81 17.836 11.575 5.000 1.00 0.00 H new ATOM 1297 N GLY A 82 12.040 11.152 3.827 1.00 0.00 N ATOM 1298 CA GLY A 82 11.800 11.942 2.634 1.00 0.00 C ATOM 1299 C GLY A 82 10.442 12.621 2.653 1.00 0.00 C ATOM 1300 O GLY A 82 9.575 12.266 3.451 1.00 0.00 O ATOM 0 H GLY A 82 11.457 11.396 4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.580 12.698 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.870 11.300 1.756 1.00 0.00 H new ATOM 1304 N ASP A 83 10.261 13.599 1.773 1.00 0.00 N ATOM 1305 CA ASP A 83 9.001 14.329 1.693 1.00 0.00 C ATOM 1306 C ASP A 83 8.140 13.802 0.549 1.00 0.00 C ATOM 1307 O ASP A 83 7.360 14.545 -0.046 1.00 0.00 O ATOM 1308 CB ASP A 83 9.264 15.824 1.502 1.00 0.00 C ATOM 1309 CG ASP A 83 9.684 16.507 2.789 1.00 0.00 C ATOM 1310 OD1 ASP A 83 8.795 16.846 3.598 1.00 0.00 O ATOM 1311 OD2 ASP A 83 10.901 16.702 2.987 1.00 0.00 O ATOM 0 H ASP A 83 10.969 13.905 1.106 1.00 0.00 H new ATOM 0 HA ASP A 83 8.463 14.179 2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.042 15.960 0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.363 16.302 1.118 1.00 0.00 H new ATOM 1316 N GLN A 84 8.289 12.516 0.248 1.00 0.00 N ATOM 1317 CA GLN A 84 7.526 11.891 -0.826 1.00 0.00 C ATOM 1318 C GLN A 84 6.622 10.790 -0.282 1.00 0.00 C ATOM 1319 O GLN A 84 6.601 9.675 -0.803 1.00 0.00 O ATOM 1320 CB GLN A 84 8.470 11.315 -1.882 1.00 0.00 C ATOM 1321 CG GLN A 84 9.596 12.260 -2.272 1.00 0.00 C ATOM 1322 CD GLN A 84 9.776 12.366 -3.774 1.00 0.00 C ATOM 1323 OE1 GLN A 84 9.390 13.361 -4.388 1.00 0.00 O ATOM 1324 NE2 GLN A 84 10.365 11.339 -4.373 1.00 0.00 N ATOM 0 H GLN A 84 8.930 11.887 0.732 1.00 0.00 H new ATOM 0 HA GLN A 84 6.900 12.656 -1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.900 10.387 -1.506 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.895 11.062 -2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.392 13.250 -1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.527 11.915 -1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.669 10.535 -3.824 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.514 11.354 -5.382 1.00 0.00 H new ATOM 1333 N ARG A 85 5.877 11.110 0.771 1.00 0.00 N ATOM 1334 CA ARG A 85 4.972 10.148 1.388 1.00 0.00 C ATOM 1335 C ARG A 85 3.972 9.611 0.367 1.00 0.00 C ATOM 1336 O ARG A 85 3.855 8.400 0.176 1.00 0.00 O ATOM 1337 CB ARG A 85 4.226 10.793 2.557 1.00 0.00 C ATOM 1338 CG ARG A 85 3.382 9.813 3.356 1.00 0.00 C ATOM 1339 CD ARG A 85 2.461 10.536 4.328 1.00 0.00 C ATOM 1340 NE ARG A 85 1.347 9.692 4.755 1.00 0.00 N ATOM 1341 CZ ARG A 85 0.253 10.163 5.344 1.00 0.00 C ATOM 1342 NH1 ARG A 85 0.126 11.463 5.574 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -0.716 9.333 5.705 1.00 0.00 N ATOM 0 H ARG A 85 5.882 12.028 1.215 1.00 0.00 H new ATOM 0 HA ARG A 85 5.568 9.315 1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.949 11.264 3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.583 11.585 2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.788 9.203 2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.033 9.134 3.906 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.032 10.853 5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.072 11.439 3.856 1.00 0.00 H new ATOM 0 HE ARG A 85 1.413 8.687 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.869 12.105 5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.715 11.821 6.026 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.622 8.332 5.531 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.556 9.695 6.157 1.00 0.00 H new ATOM 1357 N ALA A 86 3.253 10.519 -0.284 1.00 0.00 N ATOM 1358 CA ALA A 86 2.265 10.137 -1.286 1.00 0.00 C ATOM 1359 C ALA A 86 2.886 9.248 -2.357 1.00 0.00 C ATOM 1360 O ALA A 86 2.198 8.445 -2.990 1.00 0.00 O ATOM 1361 CB ALA A 86 1.646 11.376 -1.917 1.00 0.00 C ATOM 0 H ALA A 86 3.336 11.525 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 86 1.480 9.567 -0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.910 11.075 -2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.158 11.972 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.426 11.969 -2.395 1.00 0.00 H new ATOM 1367 N LYS A 87 4.191 9.395 -2.559 1.00 0.00 N ATOM 1368 CA LYS A 87 4.906 8.606 -3.555 1.00 0.00 C ATOM 1369 C LYS A 87 5.114 7.175 -3.068 1.00 0.00 C ATOM 1370 O LYS A 87 4.913 6.218 -3.816 1.00 0.00 O ATOM 1371 CB LYS A 87 6.257 9.250 -3.871 1.00 0.00 C ATOM 1372 CG LYS A 87 6.695 9.068 -5.315 1.00 0.00 C ATOM 1373 CD LYS A 87 7.017 10.400 -5.972 1.00 0.00 C ATOM 1374 CE LYS A 87 7.776 10.210 -7.275 1.00 0.00 C ATOM 1375 NZ LYS A 87 7.004 9.392 -8.253 1.00 0.00 N ATOM 0 H LYS A 87 4.776 10.054 -2.045 1.00 0.00 H new ATOM 0 HA LYS A 87 4.303 8.578 -4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.203 10.316 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.015 8.825 -3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.572 8.422 -5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.906 8.566 -5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.093 10.945 -6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.610 11.009 -5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.998 11.184 -7.711 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.732 9.727 -7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.482 9.412 -9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.945 8.410 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.045 9.782 -8.352 1.00 0.00 H new ATOM 1389 N VAL A 88 5.518 7.036 -1.809 1.00 0.00 N ATOM 1390 CA VAL A 88 5.750 5.722 -1.221 1.00 0.00 C ATOM 1391 C VAL A 88 4.464 4.906 -1.174 1.00 0.00 C ATOM 1392 O VAL A 88 4.494 3.676 -1.238 1.00 0.00 O ATOM 1393 CB VAL A 88 6.324 5.839 0.203 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.582 4.459 0.789 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.598 6.671 0.198 1.00 0.00 C ATOM 0 H VAL A 88 5.691 7.817 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 88 6.475 5.214 -1.857 1.00 0.00 H new ATOM 0 HB VAL A 88 5.590 6.344 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 88 6.987 4.561 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.647 3.900 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.297 3.925 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.990 6.743 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.340 6.197 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.378 7.670 -0.178 1.00 0.00 H new ATOM 1405 N CYS A 89 3.335 5.597 -1.061 1.00 0.00 N ATOM 1406 CA CYS A 89 2.036 4.935 -1.005 1.00 0.00 C ATOM 1407 C CYS A 89 1.564 4.544 -2.400 1.00 0.00 C ATOM 1408 O CYS A 89 0.961 3.488 -2.588 1.00 0.00 O ATOM 1409 CB CYS A 89 1.004 5.850 -0.343 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.362 4.967 0.449 1.00 0.00 S ATOM 0 H CYS A 89 3.293 6.615 -1.006 1.00 0.00 H new ATOM 0 HA CYS A 89 2.143 4.028 -0.410 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.506 6.466 0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.598 6.527 -1.095 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.181 5.824 0.982 1.00 0.00 H new ATOM 1416 N GLU A 90 1.842 5.403 -3.377 1.00 0.00 N ATOM 1417 CA GLU A 90 1.443 5.146 -4.755 1.00 0.00 C ATOM 1418 C GLU A 90 2.327 4.073 -5.387 1.00 0.00 C ATOM 1419 O GLU A 90 1.872 3.292 -6.222 1.00 0.00 O ATOM 1420 CB GLU A 90 1.519 6.434 -5.579 1.00 0.00 C ATOM 1421 CG GLU A 90 1.243 6.226 -7.060 1.00 0.00 C ATOM 1422 CD GLU A 90 0.365 7.313 -7.647 1.00 0.00 C ATOM 1423 OE1 GLU A 90 -0.874 7.186 -7.562 1.00 0.00 O ATOM 1424 OE2 GLU A 90 0.918 8.292 -8.191 1.00 0.00 O ATOM 0 H GLU A 90 2.341 6.282 -3.239 1.00 0.00 H new ATOM 0 HA GLU A 90 0.414 4.787 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.802 7.153 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.510 6.873 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.189 6.196 -7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.762 5.258 -7.204 1.00 0.00 H new ATOM 1431 N PHE A 91 3.592 4.042 -4.981 1.00 0.00 N ATOM 1432 CA PHE A 91 4.539 3.066 -5.507 1.00 0.00 C ATOM 1433 C PHE A 91 4.381 1.720 -4.805 1.00 0.00 C ATOM 1434 O PHE A 91 4.570 0.667 -5.412 1.00 0.00 O ATOM 1435 CB PHE A 91 5.972 3.575 -5.340 1.00 0.00 C ATOM 1436 CG PHE A 91 6.912 3.080 -6.401 1.00 0.00 C ATOM 1437 CD1 PHE A 91 7.601 1.889 -6.235 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.107 3.806 -7.565 1.00 0.00 C ATOM 1439 CE1 PHE A 91 8.466 1.431 -7.211 1.00 0.00 C ATOM 1440 CE2 PHE A 91 7.970 3.352 -8.545 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.651 2.164 -8.367 1.00 0.00 C ATOM 0 H PHE A 91 3.985 4.681 -4.290 1.00 0.00 H new ATOM 0 HA PHE A 91 4.329 2.929 -6.568 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.965 4.665 -5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.346 3.269 -4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.460 1.312 -5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.579 4.737 -7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.997 0.501 -7.070 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.111 3.926 -9.449 1.00 0.00 H new ATOM 0 HZ PHE A 91 9.327 1.809 -9.130 1.00 0.00 H new ATOM 1451 N MET A 92 4.030 1.766 -3.524 1.00 0.00 N ATOM 1452 CA MET A 92 3.845 0.551 -2.739 1.00 0.00 C ATOM 1453 C MET A 92 2.611 -0.214 -3.206 1.00 0.00 C ATOM 1454 O MET A 92 2.643 -1.437 -3.345 1.00 0.00 O ATOM 1455 CB MET A 92 3.717 0.892 -1.254 1.00 0.00 C ATOM 1456 CG MET A 92 3.513 -0.326 -0.367 1.00 0.00 C ATOM 1457 SD MET A 92 2.931 0.107 1.284 1.00 0.00 S ATOM 1458 CE MET A 92 3.264 -1.413 2.171 1.00 0.00 C ATOM 0 H MET A 92 3.868 2.631 -3.008 1.00 0.00 H new ATOM 0 HA MET A 92 4.720 -0.083 -2.884 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.615 1.420 -0.932 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.879 1.576 -1.117 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.794 -0.997 -0.837 1.00 0.00 H new ATOM 0 HG3 MET A 92 4.453 -0.873 -0.285 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.908 -1.321 3.197 1.00 0.00 H new ATOM 0 HE2 MET A 92 2.750 -2.240 1.682 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.337 -1.604 2.175 1.00 0.00 H new ATOM 1468 N ILE A 93 1.526 0.513 -3.447 1.00 0.00 N ATOM 1469 CA ILE A 93 0.281 -0.098 -3.898 1.00 0.00 C ATOM 1470 C ILE A 93 0.372 -0.511 -5.363 1.00 0.00 C ATOM 1471 O ILE A 93 -0.086 -1.589 -5.745 1.00 0.00 O ATOM 1472 CB ILE A 93 -0.912 0.857 -3.719 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -1.048 1.270 -2.251 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.195 0.201 -4.210 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -1.920 2.490 -2.045 1.00 0.00 C ATOM 0 H ILE A 93 1.483 1.526 -3.338 1.00 0.00 H new ATOM 0 HA ILE A 93 0.122 -0.983 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.733 1.752 -4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.463 0.437 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.056 1.469 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.030 0.889 -4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.095 -0.048 -5.267 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.380 -0.709 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.972 2.725 -0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.494 3.337 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.923 2.288 -2.421 1.00 0.00 H new ATOM 1487 N SER A 94 0.967 0.351 -6.180 1.00 0.00 N ATOM 1488 CA SER A 94 1.118 0.077 -7.604 1.00 0.00 C ATOM 1489 C SER A 94 2.069 -1.093 -7.835 1.00 0.00 C ATOM 1490 O SER A 94 1.984 -1.784 -8.850 1.00 0.00 O ATOM 1491 CB SER A 94 1.634 1.320 -8.332 1.00 0.00 C ATOM 1492 OG SER A 94 0.654 2.344 -8.351 1.00 0.00 O ATOM 0 H SER A 94 1.353 1.246 -5.880 1.00 0.00 H new ATOM 0 HA SER A 94 0.139 -0.189 -8.003 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.536 1.685 -7.841 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.911 1.058 -9.353 1.00 0.00 H new ATOM 0 HG SER A 94 0.857 3.004 -7.655 1.00 0.00 H new ATOM 1498 N GLN A 95 2.973 -1.310 -6.885 1.00 0.00 N ATOM 1499 CA GLN A 95 3.941 -2.396 -6.986 1.00 0.00 C ATOM 1500 C GLN A 95 3.415 -3.657 -6.307 1.00 0.00 C ATOM 1501 O GLN A 95 3.737 -4.774 -6.714 1.00 0.00 O ATOM 1502 CB GLN A 95 5.272 -1.981 -6.357 1.00 0.00 C ATOM 1503 CG GLN A 95 6.395 -2.976 -6.599 1.00 0.00 C ATOM 1504 CD GLN A 95 7.399 -2.485 -7.623 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.029 -2.050 -8.714 1.00 0.00 O ATOM 1506 NE2 GLN A 95 8.679 -2.553 -7.277 1.00 0.00 N ATOM 0 H GLN A 95 3.055 -0.749 -6.037 1.00 0.00 H new ATOM 0 HA GLN A 95 4.099 -2.612 -8.043 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.566 -1.010 -6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.134 -1.856 -5.283 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.909 -3.174 -5.658 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.971 -3.922 -6.936 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.941 -2.921 -6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 95 9.400 -2.238 -7.926 1.00 0.00 H new ATOM 1515 N LEU A 96 2.606 -3.471 -5.270 1.00 0.00 N ATOM 1516 CA LEU A 96 2.035 -4.594 -4.533 1.00 0.00 C ATOM 1517 C LEU A 96 0.941 -5.278 -5.346 1.00 0.00 C ATOM 1518 O LEU A 96 0.657 -6.459 -5.154 1.00 0.00 O ATOM 1519 CB LEU A 96 1.471 -4.116 -3.195 1.00 0.00 C ATOM 1520 CG LEU A 96 2.468 -4.024 -2.040 1.00 0.00 C ATOM 1521 CD1 LEU A 96 1.817 -3.388 -0.821 1.00 0.00 C ATOM 1522 CD2 LEU A 96 3.015 -5.402 -1.696 1.00 0.00 C ATOM 0 H LEU A 96 2.330 -2.553 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 96 2.829 -5.318 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.025 -3.132 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.667 -4.790 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 96 3.299 -3.393 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.542 -3.331 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.475 -2.384 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.966 -3.992 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.723 -5.317 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.194 -6.057 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.520 -5.821 -2.566 1.00 0.00 H new ATOM 1534 N GLY A 97 0.329 -4.527 -6.256 1.00 0.00 N ATOM 1535 CA GLY A 97 -0.726 -5.078 -7.087 1.00 0.00 C ATOM 1536 C GLY A 97 -2.097 -4.557 -6.704 1.00 0.00 C ATOM 1537 O GLY A 97 -3.079 -5.299 -6.721 1.00 0.00 O ATOM 0 H GLY A 97 0.545 -3.546 -6.433 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.527 -4.835 -8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.718 -6.165 -7.006 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.165 -3.275 -6.357 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.426 -2.655 -5.966 1.00 0.00 C ATOM 1543 C LEU A 98 -3.976 -3.291 -4.695 1.00 0.00 C ATOM 1544 O LEU A 98 -5.032 -3.921 -4.712 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.450 -2.779 -7.096 1.00 0.00 C ATOM 1546 CG LEU A 98 -5.558 -1.727 -7.116 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -4.973 -0.337 -7.309 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -6.569 -2.038 -8.211 1.00 0.00 C ATOM 0 H LEU A 98 -1.362 -2.646 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.237 -1.600 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.919 -2.736 -8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.913 -3.764 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.072 -1.752 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.778 0.398 -7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.289 -0.113 -6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.432 -0.298 -8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.351 -1.279 -8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.067 -2.042 -9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.013 -3.016 -8.029 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.251 -3.120 -3.592 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.668 -3.679 -2.311 1.00 0.00 C ATOM 1562 C GLN A 99 -4.205 -2.586 -1.392 1.00 0.00 C ATOM 1563 O GLN A 99 -3.491 -1.643 -1.047 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.497 -4.397 -1.639 1.00 0.00 C ATOM 1565 CG GLN A 99 -2.927 -5.395 -0.575 1.00 0.00 C ATOM 1566 CD GLN A 99 -2.594 -6.826 -0.948 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -3.448 -7.567 -1.435 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -1.347 -7.222 -0.722 1.00 0.00 N ATOM 0 H GLN A 99 -2.374 -2.600 -3.561 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.466 -4.398 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.915 -4.917 -2.400 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.839 -3.656 -1.186 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.440 -5.147 0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.001 -5.307 -0.412 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.672 -6.574 -0.317 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.064 -8.174 -0.954 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.467 -2.718 -0.999 1.00 0.00 N ATOM 1578 CA LYS A 100 -6.100 -1.743 -0.117 1.00 0.00 C ATOM 1579 C LYS A 100 -7.172 -2.404 0.744 1.00 0.00 C ATOM 1580 O LYS A 100 -8.044 -1.731 1.293 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.718 -0.609 -0.939 1.00 0.00 C ATOM 1582 CG LYS A 100 -7.807 -1.071 -1.891 1.00 0.00 C ATOM 1583 CD LYS A 100 -9.185 -0.644 -1.411 1.00 0.00 C ATOM 1584 CE LYS A 100 -10.230 -1.711 -1.697 1.00 0.00 C ATOM 1585 NZ LYS A 100 -11.531 -1.115 -2.112 1.00 0.00 N ATOM 0 H LYS A 100 -6.072 -3.490 -1.277 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.334 -1.332 0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.133 0.136 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.932 -0.116 -1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.623 -0.660 -2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.773 -2.156 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.152 -0.443 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.470 0.287 -1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.867 -2.374 -2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.378 -2.323 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.217 -1.874 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.890 -0.502 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.395 -0.552 -2.976 1.00 0.00 H new ATOM 1599 N LYS A 101 -7.102 -3.726 0.857 1.00 0.00 N ATOM 1600 CA LYS A 101 -8.063 -4.479 1.653 1.00 0.00 C ATOM 1601 C LYS A 101 -8.122 -3.947 3.082 1.00 0.00 C ATOM 1602 O LYS A 101 -9.140 -4.076 3.761 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.695 -5.965 1.665 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.476 -6.793 0.659 1.00 0.00 C ATOM 1605 CD LYS A 101 -9.455 -7.730 1.347 1.00 0.00 C ATOM 1606 CE LYS A 101 -9.717 -8.973 0.510 1.00 0.00 C ATOM 1607 NZ LYS A 101 -10.169 -10.118 1.347 1.00 0.00 N ATOM 0 H LYS A 101 -6.388 -4.299 0.406 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.046 -4.359 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.630 -6.069 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.867 -6.365 2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.018 -6.131 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.784 -7.373 0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.059 -8.022 2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.394 -7.208 1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.474 -8.752 -0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.808 -9.250 -0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.337 -10.946 0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.436 -10.346 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.050 -9.863 1.837 1.00 0.00 H new ATOM 1621 N ASN A 102 -7.025 -3.349 3.531 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.950 -2.796 4.879 1.00 0.00 C ATOM 1623 C ASN A 102 -5.642 -2.041 5.088 1.00 0.00 C ATOM 1624 O ASN A 102 -4.609 -2.403 4.524 1.00 0.00 O ATOM 1625 CB ASN A 102 -7.079 -3.912 5.917 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.539 -3.396 7.267 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -6.926 -2.496 7.842 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.623 -3.966 7.781 1.00 0.00 N ATOM 0 H ASN A 102 -6.174 -3.234 2.981 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.775 -2.095 5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.786 -4.659 5.557 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.117 -4.412 6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -8.979 -3.661 8.687 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.100 -4.709 7.270 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.694 -0.991 5.900 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.511 -0.187 6.186 1.00 0.00 C ATOM 1637 C ILE A 103 -4.474 0.234 7.651 1.00 0.00 C ATOM 1638 O ILE A 103 -5.394 0.884 8.146 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.462 1.072 5.299 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -4.742 0.706 3.840 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -3.109 1.757 5.428 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -6.209 0.774 3.472 1.00 0.00 C ATOM 0 H ILE A 103 -6.542 -0.677 6.372 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.643 -0.810 5.969 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.233 1.765 5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -4.181 1.378 3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -4.374 -0.302 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.089 2.645 4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.945 2.047 6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.322 1.071 5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.334 0.502 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -6.773 0.081 4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -6.577 1.788 3.631 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.400 -0.139 8.339 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.238 0.203 9.748 1.00 0.00 C ATOM 1656 C LYS A 104 -2.478 1.516 9.906 1.00 0.00 C ATOM 1657 O LYS A 104 -1.253 1.550 9.802 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.498 -0.918 10.484 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.346 -1.620 11.531 1.00 0.00 C ATOM 1660 CD LYS A 104 -3.262 -0.920 12.876 1.00 0.00 C ATOM 1661 CE LYS A 104 -3.912 -1.746 13.975 1.00 0.00 C ATOM 1662 NZ LYS A 104 -2.994 -1.958 15.128 1.00 0.00 N ATOM 0 H LYS A 104 -2.629 -0.678 7.944 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.230 0.323 10.183 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.152 -1.652 9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.612 -0.503 10.964 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.384 -1.650 11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.015 -2.653 11.636 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.217 -0.736 13.127 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.751 0.052 12.813 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.817 -1.245 14.319 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.217 -2.712 13.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.475 -2.525 15.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.142 -2.459 14.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.723 -1.038 15.530 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.214 2.593 10.156 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.609 3.908 10.331 1.00 0.00 C ATOM 1678 C ILE A 105 -2.496 4.269 11.808 1.00 0.00 C ATOM 1679 O ILE A 105 -3.427 4.055 12.584 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.417 5.000 9.608 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.794 4.538 8.198 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -2.624 6.298 9.552 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -5.219 4.044 8.084 1.00 0.00 C ATOM 0 H ILE A 105 -4.230 2.581 10.242 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.612 3.857 9.895 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.334 5.182 10.168 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.648 5.365 7.503 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.116 3.741 7.892 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.209 7.060 9.038 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.403 6.633 10.565 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.691 6.132 9.013 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.415 3.733 7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.365 3.197 8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.905 4.846 8.358 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.347 4.820 12.191 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.112 5.214 13.576 1.00 0.00 C ATOM 1697 C HIS A 106 -1.541 6.660 13.809 1.00 0.00 C ATOM 1698 O HIS A 106 -0.875 7.594 13.364 1.00 0.00 O ATOM 1699 CB HIS A 106 0.365 5.043 13.933 1.00 0.00 C ATOM 1700 CG HIS A 106 0.590 4.274 15.197 1.00 0.00 C ATOM 1701 ND1 HIS A 106 1.423 4.710 16.205 1.00 0.00 N ATOM 1702 CD2 HIS A 106 0.084 3.090 15.616 1.00 0.00 C ATOM 1703 CE1 HIS A 106 1.422 3.828 17.189 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.616 2.835 16.856 1.00 0.00 N ATOM 0 H HIS A 106 -0.565 5.003 11.562 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.710 4.568 14.219 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.872 4.535 13.113 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.823 6.027 14.030 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -0.609 2.463 15.075 1.00 0.00 H new ATOM 0 HE1 HIS A 106 1.984 3.905 18.108 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.421 2.013 17.427 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.657 6.835 14.509 1.00 0.00 N ATOM 1713 CA GLY A 107 -3.157 8.169 14.788 1.00 0.00 C ATOM 1714 C GLY A 107 -2.756 8.661 16.166 1.00 0.00 C ATOM 1715 O GLY A 107 -3.416 8.353 17.158 1.00 0.00 O ATOM 0 H GLY A 107 -3.224 6.077 14.888 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.780 8.860 14.034 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.244 8.171 14.707 1.00 0.00 H new ATOM 1719 N PHE A 108 -1.671 9.425 16.228 1.00 0.00 N ATOM 1720 CA PHE A 108 -1.182 9.957 17.494 1.00 0.00 C ATOM 1721 C PHE A 108 -1.370 11.471 17.556 1.00 0.00 C ATOM 1722 O PHE A 108 -1.010 12.111 18.545 1.00 0.00 O ATOM 1723 CB PHE A 108 0.295 9.607 17.684 1.00 0.00 C ATOM 1724 CG PHE A 108 0.643 9.224 19.093 1.00 0.00 C ATOM 1725 CD1 PHE A 108 0.419 7.935 19.550 1.00 0.00 C ATOM 1726 CD2 PHE A 108 1.197 10.151 19.962 1.00 0.00 C ATOM 1727 CE1 PHE A 108 0.739 7.578 20.847 1.00 0.00 C ATOM 1728 CE2 PHE A 108 1.520 9.800 21.258 1.00 0.00 C ATOM 1729 CZ PHE A 108 1.289 8.512 21.702 1.00 0.00 C ATOM 0 H PHE A 108 -1.113 9.690 15.416 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.761 9.503 18.298 1.00 0.00 H new ATOM 0 HB2 PHE A 108 0.554 8.784 17.018 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.904 10.461 17.387 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.011 7.200 18.885 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.378 11.160 19.621 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.559 6.570 21.191 1.00 0.00 H new ATOM 0 HE2 PHE A 108 1.953 10.532 21.924 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.538 8.236 22.716 1.00 0.00 H new