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 49 TYR OH : rot 165:sc= -0.486 USER MOD Set 1.2: A 95 GLN : amide:sc= -0.287 X(o=-0.77,f=-0.45) USER MOD Set 2.1: A 65 ASN : amide:sc= 0.523 K(o=1.1,f=-1.1) USER MOD Set 2.2: A 67 ASN :FLIP amide:sc= 0.554 F(o=0.32,f=1.1) USER MOD Set 3.1: A 64 CYS SG : rot -12:sc= -0.114 USER MOD Set 3.2: A 84 GLN : amide:sc= -0.364 K(o=-0.48,f=-5.9!) USER MOD Single : A 24 ASN : amide:sc= -0.0798 X(o=-0.08,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-1.9) USER MOD Single : A 38 THR OG1 : rot -9:sc= 0.763 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -161:sc= -1.09 USER MOD Single : A 43 GLN : amide:sc= -1.04 K(o=-1,f=-1.7) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.108 (180deg=-0.493) 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 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=-0.00162 X(o=-0.0016,f=-0.11) USER MOD Single : A 87 LYS NZ :NH3+ 142:sc= 0.519 (180deg=0.0343) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 171:sc= 0 (180deg=-0.146) USER MOD Single : A 94 SER OG : rot -171:sc= -0.61 USER MOD Single : A 99 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.57) 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= -1.89 K(o=-1.9,f=-6.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.0359 X(o=-0.036,f=0) USER MOD ----------------------------------------------------------------- ATOM 325 N ASN A 24 -5.037 -5.600 9.023 1.00 0.00 N ATOM 326 CA ASN A 24 -4.257 -4.565 8.351 1.00 0.00 C ATOM 327 C ASN A 24 -3.368 -5.170 7.270 1.00 0.00 C ATOM 328 O ASN A 24 -2.599 -6.098 7.529 1.00 0.00 O ATOM 329 CB ASN A 24 -3.400 -3.805 9.366 1.00 0.00 C ATOM 330 CG ASN A 24 -2.747 -4.727 10.377 1.00 0.00 C ATOM 331 OD1 ASN A 24 -1.617 -5.178 10.184 1.00 0.00 O ATOM 332 ND2 ASN A 24 -3.456 -5.012 11.463 1.00 0.00 N ATOM 0 HA ASN A 24 -4.951 -3.870 7.878 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.628 -3.244 8.838 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.021 -3.078 9.889 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.068 -5.627 12.178 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.388 -4.616 11.582 1.00 0.00 H new ATOM 339 N TYR A 25 -3.476 -4.639 6.057 1.00 0.00 N ATOM 340 CA TYR A 25 -2.683 -5.128 4.936 1.00 0.00 C ATOM 341 C TYR A 25 -1.409 -4.305 4.768 1.00 0.00 C ATOM 342 O TYR A 25 -0.412 -4.786 4.229 1.00 0.00 O ATOM 343 CB TYR A 25 -3.504 -5.082 3.645 1.00 0.00 C ATOM 344 CG TYR A 25 -3.897 -6.449 3.130 1.00 0.00 C ATOM 345 CD1 TYR A 25 -3.061 -7.157 2.275 1.00 0.00 C ATOM 346 CD2 TYR A 25 -5.103 -7.031 3.497 1.00 0.00 C ATOM 347 CE1 TYR A 25 -3.416 -8.405 1.800 1.00 0.00 C ATOM 348 CE2 TYR A 25 -5.467 -8.279 3.029 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.620 -8.962 2.180 1.00 0.00 C ATOM 350 OH TYR A 25 -4.976 -10.206 1.711 1.00 0.00 O ATOM 0 H TYR A 25 -4.105 -3.870 5.825 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.403 -6.160 5.146 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.406 -4.495 3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.929 -4.565 2.877 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.118 -6.724 1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.769 -6.499 4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.755 -8.941 1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.408 -8.717 3.326 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.852 -10.454 2.074 1.00 0.00 H new ATOM 360 N ILE A 26 -1.450 -3.062 5.238 1.00 0.00 N ATOM 361 CA ILE A 26 -0.298 -2.173 5.144 1.00 0.00 C ATOM 362 C ILE A 26 -0.285 -1.169 6.291 1.00 0.00 C ATOM 363 O ILE A 26 -1.239 -0.412 6.480 1.00 0.00 O ATOM 364 CB ILE A 26 -0.286 -1.409 3.807 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.687 -0.889 3.478 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.228 -2.305 2.690 1.00 0.00 C ATOM 367 CD1 ILE A 26 -1.691 0.249 2.482 1.00 0.00 C ATOM 0 H ILE A 26 -2.267 -2.648 5.687 1.00 0.00 H new ATOM 0 HA ILE A 26 0.592 -2.800 5.203 1.00 0.00 H new ATOM 0 HB ILE A 26 0.385 -0.555 3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.286 -1.709 3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.168 -0.557 4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.231 -1.751 1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.242 -2.630 2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.420 -3.176 2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.717 0.567 2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.119 1.086 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.240 -0.084 1.547 1.00 0.00 H new ATOM 379 N HIS A 27 0.803 -1.165 7.054 1.00 0.00 N ATOM 380 CA HIS A 27 0.941 -0.250 8.183 1.00 0.00 C ATOM 381 C HIS A 27 1.630 1.041 7.753 1.00 0.00 C ATOM 382 O HIS A 27 2.600 1.016 6.994 1.00 0.00 O ATOM 383 CB HIS A 27 1.733 -0.914 9.310 1.00 0.00 C ATOM 384 CG HIS A 27 1.731 -0.130 10.585 1.00 0.00 C ATOM 385 ND1 HIS A 27 2.359 1.091 10.720 1.00 0.00 N ATOM 386 CD2 HIS A 27 1.172 -0.397 11.789 1.00 0.00 C ATOM 387 CE1 HIS A 27 2.188 1.540 11.951 1.00 0.00 C ATOM 388 NE2 HIS A 27 1.471 0.655 12.619 1.00 0.00 N ATOM 0 H HIS A 27 1.601 -1.784 6.912 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.057 -0.005 8.546 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.318 -1.904 9.501 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.763 -1.058 8.983 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.598 -1.274 12.048 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.569 2.471 12.343 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.185 0.739 13.595 1.00 0.00 H new ATOM 396 N ILE A 28 1.124 2.168 8.243 1.00 0.00 N ATOM 397 CA ILE A 28 1.691 3.469 7.910 1.00 0.00 C ATOM 398 C ILE A 28 1.882 4.321 9.160 1.00 0.00 C ATOM 399 O ILE A 28 0.917 4.823 9.737 1.00 0.00 O ATOM 400 CB ILE A 28 0.800 4.233 6.914 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.022 3.251 6.035 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.643 5.165 6.056 1.00 0.00 C ATOM 403 CD1 ILE A 28 0.904 2.418 5.133 1.00 0.00 C ATOM 0 H ILE A 28 0.322 2.206 8.872 1.00 0.00 H new ATOM 0 HA ILE A 28 2.661 3.282 7.448 1.00 0.00 H new ATOM 0 HB ILE A 28 0.085 4.834 7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.561 2.587 6.674 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.687 3.808 5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.999 5.698 5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.157 5.883 6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.378 4.583 5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.285 1.745 4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.467 3.073 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.596 1.834 5.739 1.00 0.00 H new ATOM 415 N ARG A 29 3.135 4.482 9.574 1.00 0.00 N ATOM 416 CA ARG A 29 3.454 5.274 10.755 1.00 0.00 C ATOM 417 C ARG A 29 4.113 6.594 10.363 1.00 0.00 C ATOM 418 O ARG A 29 5.281 6.624 9.975 1.00 0.00 O ATOM 419 CB ARG A 29 4.376 4.489 11.688 1.00 0.00 C ATOM 420 CG ARG A 29 4.013 4.624 13.159 1.00 0.00 C ATOM 421 CD ARG A 29 5.068 3.991 14.053 1.00 0.00 C ATOM 422 NE ARG A 29 4.478 3.346 15.223 1.00 0.00 N ATOM 423 CZ ARG A 29 5.157 3.066 16.329 1.00 0.00 C ATOM 424 NH1 ARG A 29 6.444 3.373 16.416 1.00 0.00 N ATOM 425 NH2 ARG A 29 4.549 2.478 17.352 1.00 0.00 N ATOM 0 H ARG A 29 3.946 4.074 9.108 1.00 0.00 H new ATOM 0 HA ARG A 29 2.522 5.494 11.277 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.348 3.435 11.411 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.401 4.829 11.543 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.904 5.678 13.413 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.048 4.151 13.342 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.634 3.256 13.481 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.774 4.755 14.378 1.00 0.00 H new ATOM 0 HE ARG A 29 3.490 3.097 15.189 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.915 3.825 15.632 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.963 3.157 17.267 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.559 2.241 17.289 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.072 2.263 18.201 1.00 0.00 H new ATOM 439 N ILE A 30 3.356 7.681 10.467 1.00 0.00 N ATOM 440 CA ILE A 30 3.868 9.002 10.124 1.00 0.00 C ATOM 441 C ILE A 30 4.172 9.817 11.377 1.00 0.00 C ATOM 442 O ILE A 30 3.445 9.743 12.368 1.00 0.00 O ATOM 443 CB ILE A 30 2.870 9.782 9.247 1.00 0.00 C ATOM 444 CG1 ILE A 30 3.425 11.168 8.913 1.00 0.00 C ATOM 445 CG2 ILE A 30 1.526 9.900 9.952 1.00 0.00 C ATOM 446 CD1 ILE A 30 2.759 11.814 7.719 1.00 0.00 C ATOM 0 H ILE A 30 2.387 7.673 10.786 1.00 0.00 H new ATOM 0 HA ILE A 30 4.789 8.847 9.562 1.00 0.00 H new ATOM 0 HB ILE A 30 2.724 9.236 8.315 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.306 11.817 9.781 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.495 11.086 8.721 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.831 10.453 9.320 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.127 8.904 10.144 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.656 10.427 10.897 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.203 12.794 7.541 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.901 11.186 6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.693 11.929 7.915 1.00 0.00 H new ATOM 583 N THR A 38 10.675 15.329 7.517 1.00 0.00 N ATOM 584 CA THR A 38 9.557 14.418 7.306 1.00 0.00 C ATOM 585 C THR A 38 10.010 12.965 7.381 1.00 0.00 C ATOM 586 O THR A 38 10.945 12.558 6.688 1.00 0.00 O ATOM 587 CB THR A 38 8.880 14.664 5.945 1.00 0.00 C ATOM 588 OG1 THR A 38 9.577 15.690 5.230 1.00 0.00 O ATOM 589 CG2 THR A 38 7.425 15.066 6.128 1.00 0.00 C ATOM 0 HA THR A 38 8.837 14.612 8.101 1.00 0.00 H new ATOM 0 HB THR A 38 8.914 13.736 5.375 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.234 16.112 5.822 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.969 15.234 5.153 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.890 14.270 6.647 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.372 15.982 6.716 1.00 0.00 H new ATOM 597 N LEU A 39 9.345 12.184 8.225 1.00 0.00 N ATOM 598 CA LEU A 39 9.680 10.775 8.389 1.00 0.00 C ATOM 599 C LEU A 39 8.418 9.917 8.432 1.00 0.00 C ATOM 600 O LEU A 39 7.488 10.198 9.188 1.00 0.00 O ATOM 601 CB LEU A 39 10.493 10.569 9.668 1.00 0.00 C ATOM 602 CG LEU A 39 11.659 11.535 9.884 1.00 0.00 C ATOM 603 CD1 LEU A 39 11.216 12.727 10.718 1.00 0.00 C ATOM 604 CD2 LEU A 39 12.827 10.820 10.551 1.00 0.00 C ATOM 0 H LEU A 39 8.570 12.503 8.806 1.00 0.00 H new ATOM 0 HA LEU A 39 10.279 10.467 7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.818 10.649 10.520 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.885 9.552 9.666 1.00 0.00 H new ATOM 0 HG LEU A 39 11.989 11.900 8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.058 13.404 10.862 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.412 13.253 10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.860 12.380 11.688 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.648 11.522 10.697 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.509 10.427 11.517 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.161 9.999 9.917 1.00 0.00 H new ATOM 616 N THR A 40 8.396 8.867 7.616 1.00 0.00 N ATOM 617 CA THR A 40 7.250 7.968 7.561 1.00 0.00 C ATOM 618 C THR A 40 7.694 6.525 7.350 1.00 0.00 C ATOM 619 O THR A 40 8.448 6.224 6.423 1.00 0.00 O ATOM 620 CB THR A 40 6.278 8.364 6.435 1.00 0.00 C ATOM 621 OG1 THR A 40 6.737 9.557 5.788 1.00 0.00 O ATOM 622 CG2 THR A 40 4.876 8.584 6.981 1.00 0.00 C ATOM 0 H THR A 40 9.158 8.619 6.985 1.00 0.00 H new ATOM 0 HA THR A 40 6.737 8.052 8.519 1.00 0.00 H new ATOM 0 HB THR A 40 6.244 7.549 5.712 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.114 9.801 5.072 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.208 8.863 6.166 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.518 7.665 7.445 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.896 9.382 7.723 1.00 0.00 H new ATOM 630 N THR A 41 7.222 5.632 8.216 1.00 0.00 N ATOM 631 CA THR A 41 7.570 4.219 8.124 1.00 0.00 C ATOM 632 C THR A 41 6.444 3.416 7.487 1.00 0.00 C ATOM 633 O THR A 41 5.301 3.872 7.420 1.00 0.00 O ATOM 634 CB THR A 41 7.889 3.629 9.509 1.00 0.00 C ATOM 635 OG1 THR A 41 6.681 3.454 10.257 1.00 0.00 O ATOM 636 CG2 THR A 41 8.841 4.533 10.278 1.00 0.00 C ATOM 0 H THR A 41 6.598 5.863 8.989 1.00 0.00 H new ATOM 0 HA THR A 41 8.458 4.152 7.496 1.00 0.00 H new ATOM 0 HB THR A 41 8.370 2.662 9.364 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.895 3.373 11.210 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.051 4.094 11.253 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.771 4.640 9.720 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.383 5.513 10.412 1.00 0.00 H new ATOM 644 N VAL A 42 6.770 2.214 7.021 1.00 0.00 N ATOM 645 CA VAL A 42 5.782 1.344 6.392 1.00 0.00 C ATOM 646 C VAL A 42 6.097 -0.124 6.655 1.00 0.00 C ATOM 647 O VAL A 42 7.260 -0.525 6.673 1.00 0.00 O ATOM 648 CB VAL A 42 5.715 1.580 4.870 1.00 0.00 C ATOM 649 CG1 VAL A 42 7.062 1.286 4.226 1.00 0.00 C ATOM 650 CG2 VAL A 42 4.620 0.728 4.247 1.00 0.00 C ATOM 0 H VAL A 42 7.710 1.821 7.067 1.00 0.00 H new ATOM 0 HA VAL A 42 4.816 1.590 6.833 1.00 0.00 H new ATOM 0 HB VAL A 42 5.474 2.628 4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.997 1.458 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.820 1.942 4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.335 0.247 4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.587 0.907 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.829 -0.326 4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.659 0.991 4.689 1.00 0.00 H new ATOM 660 N GLN A 43 5.052 -0.920 6.857 1.00 0.00 N ATOM 661 CA GLN A 43 5.217 -2.346 7.120 1.00 0.00 C ATOM 662 C GLN A 43 4.225 -3.168 6.304 1.00 0.00 C ATOM 663 O GLN A 43 3.253 -2.635 5.769 1.00 0.00 O ATOM 664 CB GLN A 43 5.035 -2.636 8.609 1.00 0.00 C ATOM 665 CG GLN A 43 5.586 -3.986 9.038 1.00 0.00 C ATOM 666 CD GLN A 43 4.509 -5.047 9.150 1.00 0.00 C ATOM 667 OE1 GLN A 43 4.593 -6.102 8.523 1.00 0.00 O ATOM 668 NE2 GLN A 43 3.488 -4.771 9.953 1.00 0.00 N ATOM 0 H GLN A 43 4.083 -0.603 6.844 1.00 0.00 H new ATOM 0 HA GLN A 43 6.227 -2.630 6.823 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.526 -1.853 9.186 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.973 -2.592 8.852 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.338 -4.312 8.320 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.088 -3.880 10.000 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.459 -3.883 10.454 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.733 -5.447 10.069 1.00 0.00 H new ATOM 677 N GLY A 44 4.477 -4.470 6.212 1.00 0.00 N ATOM 678 CA GLY A 44 3.598 -5.346 5.459 1.00 0.00 C ATOM 679 C GLY A 44 4.189 -5.753 4.125 1.00 0.00 C ATOM 680 O GLY A 44 3.504 -6.343 3.290 1.00 0.00 O ATOM 0 H GLY A 44 5.275 -4.934 6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.389 -6.239 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.645 -4.844 5.293 1.00 0.00 H new ATOM 684 N VAL A 45 5.464 -5.435 3.922 1.00 0.00 N ATOM 685 CA VAL A 45 6.147 -5.772 2.679 1.00 0.00 C ATOM 686 C VAL A 45 6.258 -7.282 2.505 1.00 0.00 C ATOM 687 O VAL A 45 6.633 -8.011 3.423 1.00 0.00 O ATOM 688 CB VAL A 45 7.557 -5.154 2.629 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.242 -5.493 1.313 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.487 -3.648 2.830 1.00 0.00 C ATOM 0 H VAL A 45 6.044 -4.945 4.603 1.00 0.00 H new ATOM 0 HA VAL A 45 5.549 -5.360 1.866 1.00 0.00 H new ATOM 0 HB VAL A 45 8.149 -5.578 3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.237 -5.048 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.327 -6.575 1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.654 -5.099 0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.492 -3.229 2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.878 -3.204 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.040 -3.431 3.800 1.00 0.00 H new ATOM 700 N PRO A 46 5.927 -7.765 1.297 1.00 0.00 N ATOM 701 CA PRO A 46 5.983 -9.194 0.974 1.00 0.00 C ATOM 702 C PRO A 46 7.415 -9.715 0.898 1.00 0.00 C ATOM 703 O PRO A 46 8.369 -8.960 1.075 1.00 0.00 O ATOM 704 CB PRO A 46 5.311 -9.272 -0.398 1.00 0.00 C ATOM 705 CG PRO A 46 5.505 -7.920 -0.993 1.00 0.00 C ATOM 706 CD PRO A 46 5.473 -6.953 0.157 1.00 0.00 C ATOM 0 HA PRO A 46 5.499 -9.805 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.765 -10.046 -1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.253 -9.516 -0.307 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.454 -7.861 -1.526 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.719 -7.695 -1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.130 -6.101 -0.016 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.471 -6.556 0.320 1.00 0.00 H new ATOM 714 N GLU A 47 7.555 -11.009 0.632 1.00 0.00 N ATOM 715 CA GLU A 47 8.871 -11.631 0.532 1.00 0.00 C ATOM 716 C GLU A 47 9.544 -11.269 -0.788 1.00 0.00 C ATOM 717 O GLU A 47 10.769 -11.184 -0.869 1.00 0.00 O ATOM 718 CB GLU A 47 8.751 -13.151 0.658 1.00 0.00 C ATOM 719 CG GLU A 47 9.968 -13.806 1.292 1.00 0.00 C ATOM 720 CD GLU A 47 9.853 -13.913 2.801 1.00 0.00 C ATOM 721 OE1 GLU A 47 9.049 -14.740 3.278 1.00 0.00 O ATOM 722 OE2 GLU A 47 10.568 -13.168 3.503 1.00 0.00 O ATOM 0 H GLU A 47 6.774 -11.648 0.482 1.00 0.00 H new ATOM 0 HA GLU A 47 9.487 -11.254 1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.869 -13.390 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.593 -13.578 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.101 -14.802 0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.859 -13.231 1.039 1.00 0.00 H new ATOM 729 N GLU A 48 8.734 -11.060 -1.822 1.00 0.00 N ATOM 730 CA GLU A 48 9.252 -10.709 -3.139 1.00 0.00 C ATOM 731 C GLU A 48 10.049 -9.409 -3.082 1.00 0.00 C ATOM 732 O GLU A 48 10.837 -9.111 -3.979 1.00 0.00 O ATOM 733 CB GLU A 48 8.105 -10.573 -4.142 1.00 0.00 C ATOM 734 CG GLU A 48 8.226 -11.506 -5.335 1.00 0.00 C ATOM 735 CD GLU A 48 7.010 -11.460 -6.239 1.00 0.00 C ATOM 736 OE1 GLU A 48 6.726 -10.381 -6.800 1.00 0.00 O ATOM 737 OE2 GLU A 48 6.340 -12.504 -6.385 1.00 0.00 O ATOM 0 H GLU A 48 7.717 -11.128 -1.773 1.00 0.00 H new ATOM 0 HA GLU A 48 9.918 -11.509 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.162 -10.770 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.066 -9.544 -4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.112 -11.240 -5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.371 -12.526 -4.980 1.00 0.00 H new ATOM 744 N TYR A 49 9.838 -8.639 -2.020 1.00 0.00 N ATOM 745 CA TYR A 49 10.533 -7.370 -1.847 1.00 0.00 C ATOM 746 C TYR A 49 11.193 -7.293 -0.473 1.00 0.00 C ATOM 747 O TYR A 49 10.523 -7.091 0.540 1.00 0.00 O ATOM 748 CB TYR A 49 9.560 -6.201 -2.022 1.00 0.00 C ATOM 749 CG TYR A 49 10.147 -5.035 -2.785 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.716 -5.216 -4.041 1.00 0.00 C ATOM 751 CD2 TYR A 49 10.132 -3.752 -2.252 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.252 -4.154 -4.741 1.00 0.00 C ATOM 753 CE2 TYR A 49 10.666 -2.684 -2.945 1.00 0.00 C ATOM 754 CZ TYR A 49 11.225 -2.889 -4.190 1.00 0.00 C ATOM 755 OH TYR A 49 11.758 -1.827 -4.884 1.00 0.00 O ATOM 0 H TYR A 49 9.191 -8.872 -1.266 1.00 0.00 H new ATOM 0 HA TYR A 49 11.310 -7.305 -2.609 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.670 -6.554 -2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.238 -5.857 -1.039 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.739 -6.204 -4.476 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.695 -3.587 -1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.690 -4.312 -5.715 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.646 -1.693 -2.515 1.00 0.00 H new ATOM 0 HH TYR A 49 11.453 -0.987 -4.482 1.00 0.00 H new ATOM 765 N ASP A 50 12.512 -7.455 -0.447 1.00 0.00 N ATOM 766 CA ASP A 50 13.264 -7.404 0.799 1.00 0.00 C ATOM 767 C ASP A 50 13.636 -5.966 1.152 1.00 0.00 C ATOM 768 O ASP A 50 13.315 -5.033 0.414 1.00 0.00 O ATOM 769 CB ASP A 50 14.527 -8.260 0.694 1.00 0.00 C ATOM 770 CG ASP A 50 14.678 -9.217 1.859 1.00 0.00 C ATOM 771 OD1 ASP A 50 14.492 -8.781 3.013 1.00 0.00 O ATOM 772 OD2 ASP A 50 14.980 -10.404 1.616 1.00 0.00 O ATOM 0 H ASP A 50 13.082 -7.623 -1.276 1.00 0.00 H new ATOM 0 HA ASP A 50 12.631 -7.801 1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.501 -8.827 -0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.400 -7.609 0.647 1.00 0.00 H new ATOM 777 N LEU A 51 14.312 -5.795 2.282 1.00 0.00 N ATOM 778 CA LEU A 51 14.727 -4.471 2.732 1.00 0.00 C ATOM 779 C LEU A 51 15.839 -3.918 1.848 1.00 0.00 C ATOM 780 O LEU A 51 16.014 -2.704 1.733 1.00 0.00 O ATOM 781 CB LEU A 51 15.198 -4.530 4.187 1.00 0.00 C ATOM 782 CG LEU A 51 14.145 -4.203 5.247 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.636 -2.780 5.073 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.994 -5.195 5.178 1.00 0.00 C ATOM 0 H LEU A 51 14.585 -6.556 2.904 1.00 0.00 H new ATOM 0 HA LEU A 51 13.867 -3.805 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.583 -5.531 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.032 -3.838 4.306 1.00 0.00 H new ATOM 0 HG LEU A 51 14.609 -4.283 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.888 -2.565 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.467 -2.082 5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.188 -2.672 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.254 -4.947 5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.531 -5.147 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.371 -6.203 5.353 1.00 0.00 H new ATOM 796 N LYS A 52 16.590 -4.817 1.220 1.00 0.00 N ATOM 797 CA LYS A 52 17.685 -4.421 0.341 1.00 0.00 C ATOM 798 C LYS A 52 17.160 -4.003 -1.027 1.00 0.00 C ATOM 799 O LYS A 52 17.715 -3.111 -1.671 1.00 0.00 O ATOM 800 CB LYS A 52 18.684 -5.570 0.187 1.00 0.00 C ATOM 801 CG LYS A 52 19.761 -5.305 -0.849 1.00 0.00 C ATOM 802 CD LYS A 52 20.878 -6.331 -0.768 1.00 0.00 C ATOM 803 CE LYS A 52 21.923 -6.107 -1.852 1.00 0.00 C ATOM 804 NZ LYS A 52 23.271 -5.846 -1.277 1.00 0.00 N ATOM 0 H LYS A 52 16.460 -5.825 1.303 1.00 0.00 H new ATOM 0 HA LYS A 52 18.190 -3.567 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.157 -5.760 1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.143 -6.476 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.320 -5.324 -1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.172 -4.306 -0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.352 -6.277 0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.460 -7.333 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.968 -6.983 -2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.625 -5.264 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.954 -5.699 -2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.235 -4.996 -0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.567 -6.661 -0.703 1.00 0.00 H new ATOM 818 N ARG A 53 16.085 -4.650 -1.468 1.00 0.00 N ATOM 819 CA ARG A 53 15.485 -4.344 -2.760 1.00 0.00 C ATOM 820 C ARG A 53 14.713 -3.029 -2.705 1.00 0.00 C ATOM 821 O ARG A 53 14.680 -2.276 -3.678 1.00 0.00 O ATOM 822 CB ARG A 53 14.554 -5.477 -3.195 1.00 0.00 C ATOM 823 CG ARG A 53 14.244 -5.475 -4.683 1.00 0.00 C ATOM 824 CD ARG A 53 15.285 -6.255 -5.470 1.00 0.00 C ATOM 825 NE ARG A 53 14.686 -7.020 -6.560 1.00 0.00 N ATOM 826 CZ ARG A 53 14.056 -8.176 -6.387 1.00 0.00 C ATOM 827 NH1 ARG A 53 13.942 -8.697 -5.174 1.00 0.00 N ATOM 828 NH2 ARG A 53 13.537 -8.813 -7.430 1.00 0.00 N ATOM 0 H ARG A 53 15.612 -5.390 -0.948 1.00 0.00 H new ATOM 0 HA ARG A 53 16.288 -4.242 -3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.008 -6.431 -2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.620 -5.402 -2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.259 -5.909 -4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.206 -4.448 -5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.025 -5.565 -5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.814 -6.932 -4.800 1.00 0.00 H new ATOM 0 HE ARG A 53 14.755 -6.646 -7.506 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.339 -8.210 -4.370 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.458 -9.585 -5.044 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.622 -8.414 -8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.053 -9.701 -7.296 1.00 0.00 H new ATOM 842 N ILE A 54 14.094 -2.760 -1.559 1.00 0.00 N ATOM 843 CA ILE A 54 13.324 -1.538 -1.377 1.00 0.00 C ATOM 844 C ILE A 54 14.235 -0.355 -1.068 1.00 0.00 C ATOM 845 O ILE A 54 13.948 0.780 -1.449 1.00 0.00 O ATOM 846 CB ILE A 54 12.292 -1.687 -0.243 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.410 -0.439 -0.160 1.00 0.00 C ATOM 848 CG2 ILE A 54 12.995 -1.935 1.084 1.00 0.00 C ATOM 849 CD1 ILE A 54 9.943 -0.748 0.041 1.00 0.00 C ATOM 0 H ILE A 54 14.112 -3.373 -0.744 1.00 0.00 H new ATOM 0 HA ILE A 54 12.798 -1.353 -2.314 1.00 0.00 H new ATOM 0 HB ILE A 54 11.656 -2.545 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.757 0.187 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.529 0.141 -1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.253 -2.038 1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.585 -2.849 1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.652 -1.095 1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.379 0.183 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.580 -1.348 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.812 -1.302 0.971 1.00 0.00 H new ATOM 861 N LEU A 55 15.336 -0.629 -0.376 1.00 0.00 N ATOM 862 CA LEU A 55 16.293 0.413 -0.017 1.00 0.00 C ATOM 863 C LEU A 55 17.160 0.790 -1.212 1.00 0.00 C ATOM 864 O LEU A 55 17.621 1.927 -1.325 1.00 0.00 O ATOM 865 CB LEU A 55 17.175 -0.055 1.142 1.00 0.00 C ATOM 866 CG LEU A 55 18.455 0.748 1.377 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.126 2.204 1.662 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.259 0.145 2.520 1.00 0.00 C ATOM 0 H LEU A 55 15.588 -1.563 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 55 15.734 1.295 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.582 -0.031 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.449 -1.095 0.967 1.00 0.00 H new ATOM 0 HG LEU A 55 19.061 0.706 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 55 19.049 2.760 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.593 2.630 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.500 2.268 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.167 0.729 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.661 0.157 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.526 -0.883 2.275 1.00 0.00 H new ATOM 880 N LYS A 56 17.380 -0.169 -2.105 1.00 0.00 N ATOM 881 CA LYS A 56 18.190 0.062 -3.295 1.00 0.00 C ATOM 882 C LYS A 56 17.381 0.775 -4.374 1.00 0.00 C ATOM 883 O LYS A 56 17.893 1.652 -5.070 1.00 0.00 O ATOM 884 CB LYS A 56 18.726 -1.264 -3.838 1.00 0.00 C ATOM 885 CG LYS A 56 19.795 -1.098 -4.904 1.00 0.00 C ATOM 886 CD LYS A 56 20.625 -2.360 -5.064 1.00 0.00 C ATOM 887 CE LYS A 56 19.799 -3.500 -5.641 1.00 0.00 C ATOM 888 NZ LYS A 56 19.168 -3.129 -6.936 1.00 0.00 N ATOM 0 H LYS A 56 17.008 -1.115 -2.027 1.00 0.00 H new ATOM 0 HA LYS A 56 19.029 0.698 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.136 -1.846 -3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.898 -1.838 -4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.325 -0.848 -5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.446 -0.264 -4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.474 -2.158 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 56 21.030 -2.656 -4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.436 -4.373 -5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 56 19.025 -3.784 -4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 18.863 -3.990 -7.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 18.343 -2.521 -6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 19.856 -2.616 -7.523 1.00 0.00 H new ATOM 902 N VAL A 57 16.115 0.393 -4.506 1.00 0.00 N ATOM 903 CA VAL A 57 15.234 0.997 -5.499 1.00 0.00 C ATOM 904 C VAL A 57 14.800 2.394 -5.069 1.00 0.00 C ATOM 905 O VAL A 57 14.715 3.309 -5.890 1.00 0.00 O ATOM 906 CB VAL A 57 13.982 0.133 -5.739 1.00 0.00 C ATOM 907 CG1 VAL A 57 12.995 0.860 -6.641 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.370 -1.212 -6.336 1.00 0.00 C ATOM 0 H VAL A 57 15.676 -0.332 -3.938 1.00 0.00 H new ATOM 0 HA VAL A 57 15.802 1.065 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 57 13.497 -0.046 -4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.117 0.234 -6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.693 1.796 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.467 1.072 -7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.473 -1.810 -6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.879 -1.055 -7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.036 -1.736 -5.650 1.00 0.00 H new ATOM 918 N LEU A 58 14.523 2.552 -3.780 1.00 0.00 N ATOM 919 CA LEU A 58 14.097 3.837 -3.240 1.00 0.00 C ATOM 920 C LEU A 58 15.248 4.839 -3.245 1.00 0.00 C ATOM 921 O LEU A 58 15.077 5.997 -3.629 1.00 0.00 O ATOM 922 CB LEU A 58 13.564 3.664 -1.816 1.00 0.00 C ATOM 923 CG LEU A 58 12.172 3.044 -1.692 1.00 0.00 C ATOM 924 CD1 LEU A 58 11.842 2.757 -0.236 1.00 0.00 C ATOM 925 CD2 LEU A 58 11.124 3.958 -2.308 1.00 0.00 C ATOM 0 H LEU A 58 14.586 1.805 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 58 13.300 4.223 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.267 3.044 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.549 4.641 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 58 12.167 2.100 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.847 2.316 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.575 2.062 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.866 3.687 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.140 3.500 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.130 4.918 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.350 4.111 -3.363 1.00 0.00 H new ATOM 937 N LYS A 59 16.422 4.386 -2.817 1.00 0.00 N ATOM 938 CA LYS A 59 17.603 5.238 -2.775 1.00 0.00 C ATOM 939 C LYS A 59 18.076 5.583 -4.185 1.00 0.00 C ATOM 940 O LYS A 59 18.615 6.665 -4.423 1.00 0.00 O ATOM 941 CB LYS A 59 18.730 4.548 -2.003 1.00 0.00 C ATOM 942 CG LYS A 59 19.850 5.487 -1.593 1.00 0.00 C ATOM 943 CD LYS A 59 20.811 5.743 -2.742 1.00 0.00 C ATOM 944 CE LYS A 59 22.235 5.346 -2.379 1.00 0.00 C ATOM 945 NZ LYS A 59 23.184 5.597 -3.496 1.00 0.00 N ATOM 0 H LYS A 59 16.580 3.432 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 59 17.334 6.162 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.314 4.080 -1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.144 3.749 -2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 59 19.427 6.433 -1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 59 20.394 5.060 -0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 59 20.488 5.182 -3.619 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.784 6.799 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 59 22.554 5.905 -1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 59 22.260 4.289 -2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 24.142 5.313 -3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 22.895 5.044 -4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 23.180 6.609 -3.734 1.00 0.00 H new ATOM 959 N LYS A 60 17.870 4.658 -5.115 1.00 0.00 N ATOM 960 CA LYS A 60 18.273 4.864 -6.501 1.00 0.00 C ATOM 961 C LYS A 60 17.230 5.685 -7.253 1.00 0.00 C ATOM 962 O LYS A 60 17.558 6.412 -8.192 1.00 0.00 O ATOM 963 CB LYS A 60 18.477 3.518 -7.200 1.00 0.00 C ATOM 964 CG LYS A 60 18.968 3.644 -8.632 1.00 0.00 C ATOM 965 CD LYS A 60 19.390 2.299 -9.198 1.00 0.00 C ATOM 966 CE LYS A 60 19.674 2.385 -10.689 1.00 0.00 C ATOM 967 NZ LYS A 60 21.014 2.976 -10.965 1.00 0.00 N ATOM 0 H LYS A 60 17.426 3.758 -4.934 1.00 0.00 H new ATOM 0 HA LYS A 60 19.214 5.414 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.194 2.927 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 60 17.535 2.969 -7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 60 18.179 4.069 -9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 60 19.810 4.336 -8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 60 20.280 1.947 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 60 18.605 1.565 -9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 60 19.619 1.389 -11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.905 2.988 -11.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 21.170 3.018 -11.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 21.058 3.937 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 21.750 2.387 -10.527 1.00 0.00 H new ATOM 981 N ASP A 61 15.976 5.567 -6.836 1.00 0.00 N ATOM 982 CA ASP A 61 14.886 6.302 -7.469 1.00 0.00 C ATOM 983 C ASP A 61 14.991 7.793 -7.171 1.00 0.00 C ATOM 984 O ASP A 61 15.232 8.601 -8.069 1.00 0.00 O ATOM 985 CB ASP A 61 13.536 5.767 -6.988 1.00 0.00 C ATOM 986 CG ASP A 61 12.963 4.719 -7.922 1.00 0.00 C ATOM 987 OD1 ASP A 61 13.729 4.178 -8.748 1.00 0.00 O ATOM 988 OD2 ASP A 61 11.748 4.441 -7.828 1.00 0.00 O ATOM 0 H ASP A 61 15.687 4.969 -6.062 1.00 0.00 H new ATOM 0 HA ASP A 61 14.962 6.159 -8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.652 5.338 -5.993 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.832 6.594 -6.899 1.00 0.00 H new ATOM 993 N PHE A 62 14.808 8.153 -5.905 1.00 0.00 N ATOM 994 CA PHE A 62 14.881 9.549 -5.489 1.00 0.00 C ATOM 995 C PHE A 62 15.588 9.679 -4.143 1.00 0.00 C ATOM 996 O PHE A 62 15.230 10.521 -3.320 1.00 0.00 O ATOM 997 CB PHE A 62 13.477 10.150 -5.400 1.00 0.00 C ATOM 998 CG PHE A 62 12.755 10.184 -6.717 1.00 0.00 C ATOM 999 CD1 PHE A 62 13.149 11.060 -7.715 1.00 0.00 C ATOM 1000 CD2 PHE A 62 11.682 9.341 -6.955 1.00 0.00 C ATOM 1001 CE1 PHE A 62 12.486 11.093 -8.927 1.00 0.00 C ATOM 1002 CE2 PHE A 62 11.015 9.370 -8.166 1.00 0.00 C ATOM 1003 CZ PHE A 62 11.419 10.246 -9.154 1.00 0.00 C ATOM 0 H PHE A 62 14.608 7.498 -5.149 1.00 0.00 H new ATOM 0 HA PHE A 62 15.456 10.096 -6.236 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.888 9.573 -4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.549 11.164 -5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 62 13.983 11.724 -7.544 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.363 8.653 -6.186 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.802 11.781 -9.697 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.179 8.708 -8.339 1.00 0.00 H new ATOM 0 HZ PHE A 62 10.902 10.269 -10.102 1.00 0.00 H new ATOM 1013 N ALA A 63 16.595 8.839 -3.927 1.00 0.00 N ATOM 1014 CA ALA A 63 17.354 8.861 -2.682 1.00 0.00 C ATOM 1015 C ALA A 63 16.426 8.811 -1.473 1.00 0.00 C ATOM 1016 O ALA A 63 16.451 9.703 -0.623 1.00 0.00 O ATOM 1017 CB ALA A 63 18.236 10.099 -2.623 1.00 0.00 C ATOM 0 H ALA A 63 16.904 8.135 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 63 17.989 7.975 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.797 10.102 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.931 10.091 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.613 10.992 -2.676 1.00 0.00 H new ATOM 1023 N CYS A 64 15.609 7.766 -1.402 1.00 0.00 N ATOM 1024 CA CYS A 64 14.672 7.603 -0.296 1.00 0.00 C ATOM 1025 C CYS A 64 15.192 6.580 0.711 1.00 0.00 C ATOM 1026 O CYS A 64 14.973 5.379 0.559 1.00 0.00 O ATOM 1027 CB CYS A 64 13.303 7.168 -0.822 1.00 0.00 C ATOM 1028 SG CYS A 64 12.147 8.534 -1.083 1.00 0.00 S ATOM 0 H CYS A 64 15.576 7.020 -2.096 1.00 0.00 H new ATOM 0 HA CYS A 64 14.572 8.564 0.209 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.439 6.636 -1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.862 6.462 -0.118 1.00 0.00 H new ATOM 0 HG CYS A 64 12.615 9.611 -0.525 1.00 0.00 H new ATOM 1034 N ASN A 65 15.884 7.066 1.736 1.00 0.00 N ATOM 1035 CA ASN A 65 16.437 6.195 2.765 1.00 0.00 C ATOM 1036 C ASN A 65 15.367 5.255 3.316 1.00 0.00 C ATOM 1037 O ASN A 65 14.480 5.675 4.058 1.00 0.00 O ATOM 1038 CB ASN A 65 17.034 7.027 3.902 1.00 0.00 C ATOM 1039 CG ASN A 65 18.451 6.609 4.242 1.00 0.00 C ATOM 1040 OD1 ASN A 65 18.684 5.919 5.234 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.405 7.027 3.419 1.00 0.00 N ATOM 0 H ASN A 65 16.075 8.058 1.876 1.00 0.00 H new ATOM 0 HA ASN A 65 17.225 5.594 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.026 8.080 3.621 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.407 6.929 4.788 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.378 6.778 3.597 1.00 0.00 H new ATOM 0 HD22 ASN A 65 19.165 7.598 2.608 1.00 0.00 H new ATOM 1048 N GLY A 66 15.458 3.982 2.946 1.00 0.00 N ATOM 1049 CA GLY A 66 14.494 3.003 3.412 1.00 0.00 C ATOM 1050 C GLY A 66 15.109 1.981 4.346 1.00 0.00 C ATOM 1051 O GLY A 66 15.358 0.841 3.952 1.00 0.00 O ATOM 0 H GLY A 66 16.183 3.611 2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.680 3.515 3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.058 2.491 2.554 1.00 0.00 H new ATOM 1055 N ASN A 67 15.358 2.388 5.587 1.00 0.00 N ATOM 1056 CA ASN A 67 15.952 1.499 6.579 1.00 0.00 C ATOM 1057 C ASN A 67 14.885 0.632 7.240 1.00 0.00 C ATOM 1058 O ASN A 67 13.696 0.766 6.951 1.00 0.00 O ATOM 1059 CB ASN A 67 16.695 2.311 7.643 1.00 0.00 C ATOM 1060 CG ASN A 67 17.489 3.456 7.045 1.00 0.00 C ATOM 1061 OD1 ASN A 67 18.487 3.124 6.232 1.00 0.00 O flip ATOM 1062 ND2 ASN A 67 17.210 4.626 7.311 1.00 0.00 N flip ATOM 0 H ASN A 67 15.158 3.328 5.929 1.00 0.00 H new ATOM 0 HA ASN A 67 16.661 0.847 6.068 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.977 2.706 8.362 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.368 1.654 8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.435 4.835 7.940 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.754 5.386 6.902 1.00 0.00 H new ATOM 1069 N ILE A 68 15.320 -0.260 8.125 1.00 0.00 N ATOM 1070 CA ILE A 68 14.401 -1.148 8.828 1.00 0.00 C ATOM 1071 C ILE A 68 14.507 -0.965 10.338 1.00 0.00 C ATOM 1072 O ILE A 68 15.561 -0.600 10.858 1.00 0.00 O ATOM 1073 CB ILE A 68 14.670 -2.624 8.480 1.00 0.00 C ATOM 1074 CG1 ILE A 68 13.467 -3.487 8.863 1.00 0.00 C ATOM 1075 CG2 ILE A 68 15.928 -3.114 9.183 1.00 0.00 C ATOM 1076 CD1 ILE A 68 13.652 -4.956 8.548 1.00 0.00 C ATOM 0 H ILE A 68 16.302 -0.387 8.372 1.00 0.00 H new ATOM 0 HA ILE A 68 13.395 -0.884 8.503 1.00 0.00 H new ATOM 0 HB ILE A 68 14.825 -2.707 7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.274 -3.374 9.930 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.585 -3.120 8.339 1.00 0.00 H new ATOM 0 HG21 ILE A 68 16.104 -4.159 8.927 1.00 0.00 H new ATOM 0 HG22 ILE A 68 16.780 -2.513 8.865 1.00 0.00 H new ATOM 0 HG23 ILE A 68 15.802 -3.021 10.262 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.760 -5.507 8.846 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.815 -5.081 7.477 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.515 -5.339 9.093 1.00 0.00 H new ATOM 1088 N VAL A 69 13.407 -1.225 11.038 1.00 0.00 N ATOM 1089 CA VAL A 69 13.377 -1.092 12.489 1.00 0.00 C ATOM 1090 C VAL A 69 12.568 -2.218 13.127 1.00 0.00 C ATOM 1091 O VAL A 69 11.858 -2.952 12.441 1.00 0.00 O ATOM 1092 CB VAL A 69 12.778 0.260 12.918 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.336 0.690 14.265 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.045 1.320 11.858 1.00 0.00 C ATOM 0 H VAL A 69 12.526 -1.529 10.624 1.00 0.00 H new ATOM 0 HA VAL A 69 14.410 -1.148 12.833 1.00 0.00 H new ATOM 0 HB VAL A 69 11.699 0.143 13.021 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.900 1.648 14.550 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.089 -0.059 15.017 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.419 0.791 14.195 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.615 2.270 12.177 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.120 1.436 11.722 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.591 1.014 10.915 1.00 0.00 H new ATOM 1104 N LYS A 70 12.684 -2.347 14.444 1.00 0.00 N ATOM 1105 CA LYS A 70 11.963 -3.382 15.177 1.00 0.00 C ATOM 1106 C LYS A 70 11.175 -2.779 16.337 1.00 0.00 C ATOM 1107 O LYS A 70 11.756 -2.319 17.320 1.00 0.00 O ATOM 1108 CB LYS A 70 12.940 -4.436 15.704 1.00 0.00 C ATOM 1109 CG LYS A 70 12.322 -5.385 16.715 1.00 0.00 C ATOM 1110 CD LYS A 70 13.341 -6.386 17.237 1.00 0.00 C ATOM 1111 CE LYS A 70 12.972 -6.885 18.624 1.00 0.00 C ATOM 1112 NZ LYS A 70 14.170 -7.030 19.498 1.00 0.00 N ATOM 0 H LYS A 70 13.270 -1.748 15.026 1.00 0.00 H new ATOM 0 HA LYS A 70 11.261 -3.856 14.491 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.326 -5.014 14.864 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.791 -3.933 16.163 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.912 -4.814 17.548 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.490 -5.918 16.254 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.407 -7.231 16.551 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.327 -5.921 17.267 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.268 -6.191 19.084 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.464 -7.846 18.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.877 -7.372 20.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.830 -7.711 19.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.640 -6.108 19.598 1.00 0.00 H new ATOM 1126 N ASP A 71 9.853 -2.787 16.213 1.00 0.00 N ATOM 1127 CA ASP A 71 8.985 -2.244 17.251 1.00 0.00 C ATOM 1128 C ASP A 71 8.477 -3.352 18.170 1.00 0.00 C ATOM 1129 O ASP A 71 8.456 -4.528 17.810 1.00 0.00 O ATOM 1130 CB ASP A 71 7.803 -1.503 16.624 1.00 0.00 C ATOM 1131 CG ASP A 71 7.980 0.002 16.656 1.00 0.00 C ATOM 1132 OD1 ASP A 71 9.079 0.479 16.302 1.00 0.00 O ATOM 1133 OD2 ASP A 71 7.019 0.703 17.034 1.00 0.00 O ATOM 0 H ASP A 71 9.359 -3.163 15.404 1.00 0.00 H new ATOM 0 HA ASP A 71 9.569 -1.542 17.846 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.680 -1.829 15.591 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.889 -1.770 17.154 1.00 0.00 H new ATOM 1138 N PRO A 72 8.061 -2.967 19.387 1.00 0.00 N ATOM 1139 CA PRO A 72 7.547 -3.913 20.381 1.00 0.00 C ATOM 1140 C PRO A 72 6.189 -4.486 19.989 1.00 0.00 C ATOM 1141 O PRO A 72 5.677 -5.393 20.644 1.00 0.00 O ATOM 1142 CB PRO A 72 7.424 -3.062 21.649 1.00 0.00 C ATOM 1143 CG PRO A 72 7.258 -1.667 21.152 1.00 0.00 C ATOM 1144 CD PRO A 72 8.060 -1.581 19.883 1.00 0.00 C ATOM 0 HA PRO A 72 8.198 -4.780 20.494 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.571 -3.372 22.253 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.310 -3.156 22.277 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.208 -1.441 20.966 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.613 -0.946 21.888 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.605 -0.898 19.166 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.071 -1.220 20.070 1.00 0.00 H new ATOM 1152 N GLU A 73 5.614 -3.951 18.918 1.00 0.00 N ATOM 1153 CA GLU A 73 4.314 -4.410 18.440 1.00 0.00 C ATOM 1154 C GLU A 73 4.476 -5.515 17.400 1.00 0.00 C ATOM 1155 O GLU A 73 3.770 -6.521 17.433 1.00 0.00 O ATOM 1156 CB GLU A 73 3.525 -3.244 17.842 1.00 0.00 C ATOM 1157 CG GLU A 73 2.097 -3.604 17.467 1.00 0.00 C ATOM 1158 CD GLU A 73 1.098 -2.540 17.880 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.259 -1.378 17.451 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.158 -2.868 18.634 1.00 0.00 O ATOM 0 H GLU A 73 6.026 -3.200 18.364 1.00 0.00 H new ATOM 0 HA GLU A 73 3.764 -4.813 19.291 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.508 -2.423 18.559 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.044 -2.882 16.955 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.036 -3.755 16.389 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.830 -4.550 17.938 1.00 0.00 H new ATOM 1167 N MET A 74 5.413 -5.318 16.477 1.00 0.00 N ATOM 1168 CA MET A 74 5.668 -6.297 15.427 1.00 0.00 C ATOM 1169 C MET A 74 7.155 -6.627 15.342 1.00 0.00 C ATOM 1170 O MET A 74 7.573 -7.739 15.664 1.00 0.00 O ATOM 1171 CB MET A 74 5.174 -5.771 14.079 1.00 0.00 C ATOM 1172 CG MET A 74 4.264 -6.742 13.344 1.00 0.00 C ATOM 1173 SD MET A 74 5.096 -7.577 11.979 1.00 0.00 S ATOM 1174 CE MET A 74 4.025 -8.994 11.745 1.00 0.00 C ATOM 0 H MET A 74 6.007 -4.490 16.435 1.00 0.00 H new ATOM 0 HA MET A 74 5.124 -7.209 15.675 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.640 -4.834 14.238 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.034 -5.545 13.449 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.891 -7.487 14.047 1.00 0.00 H new ATOM 0 HG3 MET A 74 3.398 -6.203 12.961 1.00 0.00 H new ATOM 0 HE1 MET A 74 4.409 -9.610 10.931 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.995 -9.582 12.662 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.019 -8.653 11.499 1.00 0.00 H new ATOM 1184 N GLY A 75 7.949 -5.654 14.908 1.00 0.00 N ATOM 1185 CA GLY A 75 9.381 -5.862 14.787 1.00 0.00 C ATOM 1186 C GLY A 75 9.840 -5.922 13.345 1.00 0.00 C ATOM 1187 O GLY A 75 10.778 -6.647 13.017 1.00 0.00 O ATOM 0 H GLY A 75 7.627 -4.725 14.638 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.906 -5.055 15.299 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.654 -6.790 15.290 1.00 0.00 H new ATOM 1191 N GLU A 76 9.176 -5.160 12.483 1.00 0.00 N ATOM 1192 CA GLU A 76 9.520 -5.132 11.066 1.00 0.00 C ATOM 1193 C GLU A 76 9.027 -3.845 10.411 1.00 0.00 C ATOM 1194 O GLU A 76 8.538 -3.859 9.281 1.00 0.00 O ATOM 1195 CB GLU A 76 8.922 -6.343 10.349 1.00 0.00 C ATOM 1196 CG GLU A 76 9.889 -7.026 9.396 1.00 0.00 C ATOM 1197 CD GLU A 76 9.181 -7.803 8.303 1.00 0.00 C ATOM 1198 OE1 GLU A 76 8.000 -8.159 8.497 1.00 0.00 O ATOM 1199 OE2 GLU A 76 9.808 -8.053 7.252 1.00 0.00 O ATOM 0 H GLU A 76 8.397 -4.554 12.740 1.00 0.00 H new ATOM 0 HA GLU A 76 10.606 -5.169 10.982 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.587 -7.066 11.093 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.040 -6.026 9.793 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.536 -6.276 8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.531 -7.703 9.960 1.00 0.00 H new ATOM 1206 N ILE A 77 9.159 -2.734 11.128 1.00 0.00 N ATOM 1207 CA ILE A 77 8.727 -1.439 10.618 1.00 0.00 C ATOM 1208 C ILE A 77 9.813 -0.796 9.763 1.00 0.00 C ATOM 1209 O ILE A 77 10.813 -0.298 10.284 1.00 0.00 O ATOM 1210 CB ILE A 77 8.355 -0.479 11.763 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.235 -1.077 12.617 1.00 0.00 C ATOM 1212 CG2 ILE A 77 7.939 0.875 11.206 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.814 -0.191 13.769 1.00 0.00 C ATOM 0 H ILE A 77 9.562 -2.705 12.065 1.00 0.00 H new ATOM 0 HA ILE A 77 7.844 -1.619 10.005 1.00 0.00 H new ATOM 0 HB ILE A 77 9.231 -0.336 12.396 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.370 -1.270 11.983 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.563 -2.039 13.010 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.679 1.542 12.028 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.764 1.304 10.638 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.075 0.750 10.553 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.017 -0.678 14.330 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.667 -0.018 14.425 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.455 0.763 13.382 1.00 0.00 H new ATOM 1225 N ILE A 78 9.610 -0.808 8.451 1.00 0.00 N ATOM 1226 CA ILE A 78 10.570 -0.223 7.523 1.00 0.00 C ATOM 1227 C ILE A 78 10.499 1.300 7.546 1.00 0.00 C ATOM 1228 O ILE A 78 9.549 1.893 7.038 1.00 0.00 O ATOM 1229 CB ILE A 78 10.336 -0.715 6.083 1.00 0.00 C ATOM 1230 CG1 ILE A 78 10.329 -2.245 6.039 1.00 0.00 C ATOM 1231 CG2 ILE A 78 11.401 -0.158 5.152 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.951 -2.838 5.840 1.00 0.00 C ATOM 0 H ILE A 78 8.789 -1.217 8.006 1.00 0.00 H new ATOM 0 HA ILE A 78 11.559 -0.544 7.850 1.00 0.00 H new ATOM 0 HB ILE A 78 9.364 -0.355 5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.980 -2.580 5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.750 -2.629 6.968 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.221 -0.515 4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.362 0.931 5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.385 -0.490 5.484 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.022 -3.925 5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.302 -2.533 6.661 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.535 -2.483 4.897 1.00 0.00 H new ATOM 1244 N GLN A 79 11.512 1.926 8.138 1.00 0.00 N ATOM 1245 CA GLN A 79 11.563 3.381 8.224 1.00 0.00 C ATOM 1246 C GLN A 79 11.960 3.992 6.886 1.00 0.00 C ATOM 1247 O GLN A 79 13.009 3.667 6.327 1.00 0.00 O ATOM 1248 CB GLN A 79 12.553 3.814 9.309 1.00 0.00 C ATOM 1249 CG GLN A 79 12.638 5.319 9.488 1.00 0.00 C ATOM 1250 CD GLN A 79 12.915 5.721 10.923 1.00 0.00 C ATOM 1251 OE1 GLN A 79 14.067 5.765 11.357 1.00 0.00 O ATOM 1252 NE2 GLN A 79 11.857 6.017 11.670 1.00 0.00 N ATOM 0 H GLN A 79 12.307 1.449 8.564 1.00 0.00 H new ATOM 0 HA GLN A 79 10.567 3.739 8.485 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.263 3.360 10.256 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.542 3.429 9.061 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.425 5.714 8.846 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.703 5.773 9.161 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.920 5.967 11.270 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.982 6.294 12.644 1.00 0.00 H new ATOM 1261 N LEU A 80 11.114 4.881 6.374 1.00 0.00 N ATOM 1262 CA LEU A 80 11.375 5.538 5.097 1.00 0.00 C ATOM 1263 C LEU A 80 11.415 7.054 5.264 1.00 0.00 C ATOM 1264 O LEU A 80 10.387 7.687 5.507 1.00 0.00 O ATOM 1265 CB LEU A 80 10.305 5.155 4.074 1.00 0.00 C ATOM 1266 CG LEU A 80 10.816 4.659 2.722 1.00 0.00 C ATOM 1267 CD1 LEU A 80 9.886 3.596 2.156 1.00 0.00 C ATOM 1268 CD2 LEU A 80 10.958 5.819 1.747 1.00 0.00 C ATOM 0 H LEU A 80 10.243 5.163 6.823 1.00 0.00 H new ATOM 0 HA LEU A 80 12.348 5.203 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.676 4.378 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.668 6.022 3.903 1.00 0.00 H new ATOM 0 HG LEU A 80 11.799 4.211 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.266 3.255 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.835 2.753 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.889 4.017 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.323 5.447 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.988 6.296 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.665 6.546 2.147 1.00 0.00 H new ATOM 1280 N GLN A 81 12.606 7.628 5.130 1.00 0.00 N ATOM 1281 CA GLN A 81 12.779 9.069 5.266 1.00 0.00 C ATOM 1282 C GLN A 81 12.771 9.749 3.900 1.00 0.00 C ATOM 1283 O GLN A 81 13.434 9.297 2.968 1.00 0.00 O ATOM 1284 CB GLN A 81 14.086 9.382 5.997 1.00 0.00 C ATOM 1285 CG GLN A 81 13.962 9.330 7.512 1.00 0.00 C ATOM 1286 CD GLN A 81 15.144 8.646 8.170 1.00 0.00 C ATOM 1287 OE1 GLN A 81 15.481 7.508 7.838 1.00 0.00 O ATOM 1288 NE2 GLN A 81 15.780 9.335 9.110 1.00 0.00 N ATOM 0 H GLN A 81 13.465 7.117 4.927 1.00 0.00 H new ATOM 0 HA GLN A 81 11.944 9.456 5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.850 8.673 5.678 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.429 10.374 5.702 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.871 10.344 7.901 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.046 8.803 7.780 1.00 0.00 H new ATOM 0 HE21 GLN A 81 15.467 10.275 9.353 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.582 8.925 9.589 1.00 0.00 H new ATOM 1297 N GLY A 82 12.017 10.838 3.790 1.00 0.00 N ATOM 1298 CA GLY A 82 11.937 11.562 2.535 1.00 0.00 C ATOM 1299 C GLY A 82 10.706 12.441 2.451 1.00 0.00 C ATOM 1300 O GLY A 82 9.807 12.347 3.288 1.00 0.00 O ATOM 0 H GLY A 82 11.460 11.232 4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.828 12.178 2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.929 10.851 1.709 1.00 0.00 H new ATOM 1304 N ASP A 83 10.664 13.302 1.439 1.00 0.00 N ATOM 1305 CA ASP A 83 9.533 14.203 1.248 1.00 0.00 C ATOM 1306 C ASP A 83 8.612 13.695 0.144 1.00 0.00 C ATOM 1307 O ASP A 83 7.962 14.480 -0.545 1.00 0.00 O ATOM 1308 CB ASP A 83 10.027 15.610 0.909 1.00 0.00 C ATOM 1309 CG ASP A 83 9.308 16.685 1.702 1.00 0.00 C ATOM 1310 OD1 ASP A 83 8.149 16.448 2.104 1.00 0.00 O ATOM 1311 OD2 ASP A 83 9.905 17.759 1.920 1.00 0.00 O ATOM 0 H ASP A 83 11.400 13.395 0.739 1.00 0.00 H new ATOM 0 HA ASP A 83 8.968 14.238 2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.097 15.673 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.887 15.794 -0.156 1.00 0.00 H new ATOM 1316 N GLN A 84 8.563 12.376 -0.018 1.00 0.00 N ATOM 1317 CA GLN A 84 7.722 11.764 -1.039 1.00 0.00 C ATOM 1318 C GLN A 84 6.818 10.695 -0.431 1.00 0.00 C ATOM 1319 O GLN A 84 6.775 9.562 -0.908 1.00 0.00 O ATOM 1320 CB GLN A 84 8.588 11.148 -2.141 1.00 0.00 C ATOM 1321 CG GLN A 84 9.697 12.067 -2.626 1.00 0.00 C ATOM 1322 CD GLN A 84 11.031 11.769 -1.969 1.00 0.00 C ATOM 1323 OE1 GLN A 84 11.093 11.433 -0.786 1.00 0.00 O ATOM 1324 NE2 GLN A 84 12.109 11.890 -2.736 1.00 0.00 N ATOM 0 H GLN A 84 9.095 11.712 0.544 1.00 0.00 H new ATOM 0 HA GLN A 84 7.094 12.543 -1.471 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.030 10.223 -1.770 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.952 10.882 -2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.799 11.969 -3.707 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.420 13.102 -2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.012 12.171 -3.712 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.034 11.702 -2.349 1.00 0.00 H new ATOM 1333 N ARG A 85 6.097 11.067 0.622 1.00 0.00 N ATOM 1334 CA ARG A 85 5.195 10.140 1.295 1.00 0.00 C ATOM 1335 C ARG A 85 4.150 9.599 0.324 1.00 0.00 C ATOM 1336 O ARG A 85 4.033 8.387 0.135 1.00 0.00 O ATOM 1337 CB ARG A 85 4.504 10.833 2.471 1.00 0.00 C ATOM 1338 CG ARG A 85 3.599 9.911 3.273 1.00 0.00 C ATOM 1339 CD ARG A 85 2.396 10.657 3.826 1.00 0.00 C ATOM 1340 NE ARG A 85 1.143 9.963 3.543 1.00 0.00 N ATOM 1341 CZ ARG A 85 -0.048 10.549 3.582 1.00 0.00 C ATOM 1342 NH1 ARG A 85 -0.148 11.835 3.890 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -1.143 9.850 3.313 1.00 0.00 N ATOM 0 H ARG A 85 6.120 12.003 1.027 1.00 0.00 H new ATOM 0 HA ARG A 85 5.785 9.304 1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.263 11.250 3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.915 11.669 2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.261 9.090 2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.163 9.469 4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.508 10.777 4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.361 11.658 3.396 1.00 0.00 H new ATOM 0 HE ARG A 85 1.185 8.973 3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.691 12.376 4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.064 12.283 3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.071 8.861 3.076 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.057 10.302 3.344 1.00 0.00 H new ATOM 1357 N ALA A 86 3.392 10.502 -0.287 1.00 0.00 N ATOM 1358 CA ALA A 86 2.357 10.114 -1.238 1.00 0.00 C ATOM 1359 C ALA A 86 2.930 9.233 -2.343 1.00 0.00 C ATOM 1360 O ALA A 86 2.218 8.427 -2.941 1.00 0.00 O ATOM 1361 CB ALA A 86 1.698 11.349 -1.833 1.00 0.00 C ATOM 0 H ALA A 86 3.475 11.508 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 86 1.604 9.536 -0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.927 11.045 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.246 11.940 -1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.448 11.949 -2.348 1.00 0.00 H new ATOM 1367 N LYS A 87 4.222 9.392 -2.611 1.00 0.00 N ATOM 1368 CA LYS A 87 4.892 8.611 -3.644 1.00 0.00 C ATOM 1369 C LYS A 87 5.137 7.181 -3.172 1.00 0.00 C ATOM 1370 O LYS A 87 4.906 6.225 -3.911 1.00 0.00 O ATOM 1371 CB LYS A 87 6.220 9.267 -4.026 1.00 0.00 C ATOM 1372 CG LYS A 87 6.585 9.093 -5.491 1.00 0.00 C ATOM 1373 CD LYS A 87 6.682 10.430 -6.204 1.00 0.00 C ATOM 1374 CE LYS A 87 8.010 11.118 -5.920 1.00 0.00 C ATOM 1375 NZ LYS A 87 8.650 11.623 -7.166 1.00 0.00 N ATOM 0 H LYS A 87 4.826 10.056 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 87 4.243 8.580 -4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.169 10.331 -3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.014 8.846 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.537 8.568 -5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.836 8.471 -5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.571 10.280 -7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.862 11.074 -5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.849 11.948 -5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.683 10.418 -5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.105 12.539 -6.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.366 10.941 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.927 11.742 -7.904 1.00 0.00 H new ATOM 1389 N VAL A 88 5.604 7.042 -1.934 1.00 0.00 N ATOM 1390 CA VAL A 88 5.877 5.730 -1.363 1.00 0.00 C ATOM 1391 C VAL A 88 4.601 4.903 -1.252 1.00 0.00 C ATOM 1392 O VAL A 88 4.639 3.674 -1.319 1.00 0.00 O ATOM 1393 CB VAL A 88 6.523 5.847 0.031 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.807 4.467 0.605 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.796 6.676 -0.040 1.00 0.00 C ATOM 0 H VAL A 88 5.801 7.823 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 88 6.573 5.230 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 88 5.823 6.354 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.263 4.569 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.874 3.911 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.488 3.931 -0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.239 6.748 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.503 6.199 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.560 7.675 -0.405 1.00 0.00 H new ATOM 1405 N CYS A 89 3.474 5.584 -1.081 1.00 0.00 N ATOM 1406 CA CYS A 89 2.185 4.912 -0.960 1.00 0.00 C ATOM 1407 C CYS A 89 1.647 4.519 -2.331 1.00 0.00 C ATOM 1408 O CYS A 89 1.044 3.457 -2.490 1.00 0.00 O ATOM 1409 CB CYS A 89 1.181 5.817 -0.244 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.137 4.923 0.613 1.00 0.00 S ATOM 0 H CYS A 89 3.426 6.601 -1.023 1.00 0.00 H new ATOM 0 HA CYS A 89 2.328 4.005 -0.373 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.715 6.435 0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.733 6.493 -0.973 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.934 5.773 1.189 1.00 0.00 H new ATOM 1416 N GLU A 90 1.866 5.382 -3.318 1.00 0.00 N ATOM 1417 CA GLU A 90 1.400 5.124 -4.675 1.00 0.00 C ATOM 1418 C GLU A 90 2.252 4.052 -5.349 1.00 0.00 C ATOM 1419 O GLU A 90 1.757 3.268 -6.159 1.00 0.00 O ATOM 1420 CB GLU A 90 1.433 6.411 -5.502 1.00 0.00 C ATOM 1421 CG GLU A 90 0.171 6.644 -6.317 1.00 0.00 C ATOM 1422 CD GLU A 90 0.250 7.894 -7.172 1.00 0.00 C ATOM 1423 OE1 GLU A 90 1.379 8.363 -7.431 1.00 0.00 O ATOM 1424 OE2 GLU A 90 -0.814 8.402 -7.580 1.00 0.00 O ATOM 0 H GLU A 90 2.363 6.265 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 90 0.373 4.764 -4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.585 7.258 -4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.289 6.378 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.007 5.781 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.682 6.723 -5.644 1.00 0.00 H new ATOM 1431 N PHE A 91 3.536 4.024 -5.009 1.00 0.00 N ATOM 1432 CA PHE A 91 4.459 3.050 -5.580 1.00 0.00 C ATOM 1433 C PHE A 91 4.343 1.707 -4.868 1.00 0.00 C ATOM 1434 O PHE A 91 4.506 0.651 -5.478 1.00 0.00 O ATOM 1435 CB PHE A 91 5.897 3.564 -5.492 1.00 0.00 C ATOM 1436 CG PHE A 91 6.781 3.069 -6.602 1.00 0.00 C ATOM 1437 CD1 PHE A 91 6.737 3.657 -7.856 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.654 2.016 -6.390 1.00 0.00 C ATOM 1439 CE1 PHE A 91 7.546 3.202 -8.878 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.468 1.556 -7.408 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.415 2.151 -8.654 1.00 0.00 C ATOM 0 H PHE A 91 3.962 4.666 -4.340 1.00 0.00 H new ATOM 0 HA PHE A 91 4.195 2.909 -6.628 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.886 4.654 -5.506 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.324 3.262 -4.536 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.062 4.481 -8.036 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.700 1.548 -5.418 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.500 3.667 -9.852 1.00 0.00 H new ATOM 0 HE2 PHE A 91 9.144 0.733 -7.230 1.00 0.00 H new ATOM 0 HZ PHE A 91 9.051 1.796 -9.451 1.00 0.00 H new ATOM 1451 N MET A 92 4.059 1.756 -3.569 1.00 0.00 N ATOM 1452 CA MET A 92 3.921 0.543 -2.772 1.00 0.00 C ATOM 1453 C MET A 92 2.676 -0.237 -3.181 1.00 0.00 C ATOM 1454 O MET A 92 2.717 -1.460 -3.322 1.00 0.00 O ATOM 1455 CB MET A 92 3.853 0.891 -1.284 1.00 0.00 C ATOM 1456 CG MET A 92 3.540 -0.302 -0.394 1.00 0.00 C ATOM 1457 SD MET A 92 4.775 -0.550 0.896 1.00 0.00 S ATOM 1458 CE MET A 92 6.099 -1.307 -0.044 1.00 0.00 C ATOM 0 H MET A 92 3.920 2.622 -3.048 1.00 0.00 H new ATOM 0 HA MET A 92 4.795 -0.082 -2.952 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.805 1.323 -0.977 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.092 1.656 -1.133 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.563 -0.160 0.067 1.00 0.00 H new ATOM 0 HG3 MET A 92 3.476 -1.201 -1.007 1.00 0.00 H new ATOM 0 HE1 MET A 92 6.993 -1.375 0.576 1.00 0.00 H new ATOM 0 HE2 MET A 92 5.798 -2.307 -0.357 1.00 0.00 H new ATOM 0 HE3 MET A 92 6.313 -0.701 -0.924 1.00 0.00 H new ATOM 1468 N ILE A 93 1.571 0.476 -3.369 1.00 0.00 N ATOM 1469 CA ILE A 93 0.315 -0.150 -3.763 1.00 0.00 C ATOM 1470 C ILE A 93 0.342 -0.561 -5.231 1.00 0.00 C ATOM 1471 O ILE A 93 -0.101 -1.654 -5.587 1.00 0.00 O ATOM 1472 CB ILE A 93 -0.882 0.792 -3.526 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -0.951 1.204 -2.056 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.178 0.118 -3.956 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -1.887 2.364 -1.798 1.00 0.00 C ATOM 0 H ILE A 93 1.520 1.488 -3.255 1.00 0.00 H new ATOM 0 HA ILE A 93 0.196 -1.038 -3.142 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.745 1.690 -4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.273 0.349 -1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.049 1.471 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.015 0.795 -3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.125 -0.130 -5.016 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.323 -0.794 -3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.886 2.602 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.554 3.233 -2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.896 2.093 -2.108 1.00 0.00 H new ATOM 1487 N SER A 94 0.867 0.320 -6.077 1.00 0.00 N ATOM 1488 CA SER A 94 0.951 0.048 -7.508 1.00 0.00 C ATOM 1489 C SER A 94 1.893 -1.118 -7.785 1.00 0.00 C ATOM 1490 O SER A 94 1.761 -1.810 -8.795 1.00 0.00 O ATOM 1491 CB SER A 94 1.427 1.294 -8.256 1.00 0.00 C ATOM 1492 OG SER A 94 2.780 1.586 -7.952 1.00 0.00 O ATOM 0 H SER A 94 1.240 1.227 -5.797 1.00 0.00 H new ATOM 0 HA SER A 94 -0.044 -0.222 -7.862 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.317 1.142 -9.330 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.799 2.144 -7.989 1.00 0.00 H new ATOM 0 HG SER A 94 3.018 2.460 -8.326 1.00 0.00 H new ATOM 1498 N GLN A 95 2.845 -1.329 -6.881 1.00 0.00 N ATOM 1499 CA GLN A 95 3.811 -2.411 -7.029 1.00 0.00 C ATOM 1500 C GLN A 95 3.323 -3.676 -6.332 1.00 0.00 C ATOM 1501 O GLN A 95 3.598 -4.791 -6.780 1.00 0.00 O ATOM 1502 CB GLN A 95 5.168 -1.993 -6.461 1.00 0.00 C ATOM 1503 CG GLN A 95 6.248 -3.048 -6.626 1.00 0.00 C ATOM 1504 CD GLN A 95 7.558 -2.651 -5.972 1.00 0.00 C ATOM 1505 OE1 GLN A 95 8.620 -2.717 -6.592 1.00 0.00 O ATOM 1506 NE2 GLN A 95 7.488 -2.237 -4.713 1.00 0.00 N ATOM 0 H GLN A 95 2.968 -0.766 -6.040 1.00 0.00 H new ATOM 0 HA GLN A 95 3.920 -2.623 -8.093 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.491 -1.075 -6.952 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.054 -1.765 -5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.901 -3.987 -6.195 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.416 -3.227 -7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.586 -2.198 -4.238 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.336 -1.957 -4.220 1.00 0.00 H new ATOM 1515 N LEU A 96 2.596 -3.498 -5.235 1.00 0.00 N ATOM 1516 CA LEU A 96 2.069 -4.626 -4.475 1.00 0.00 C ATOM 1517 C LEU A 96 0.960 -5.333 -5.247 1.00 0.00 C ATOM 1518 O LEU A 96 0.704 -6.519 -5.043 1.00 0.00 O ATOM 1519 CB LEU A 96 1.539 -4.151 -3.121 1.00 0.00 C ATOM 1520 CG LEU A 96 2.572 -4.035 -1.999 1.00 0.00 C ATOM 1521 CD1 LEU A 96 1.964 -3.352 -0.783 1.00 0.00 C ATOM 1522 CD2 LEU A 96 3.113 -5.408 -1.628 1.00 0.00 C ATOM 0 H LEU A 96 2.358 -2.583 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 96 2.882 -5.334 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.070 -3.177 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.757 -4.838 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 96 3.402 -3.425 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.713 -3.278 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.627 -2.353 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.116 -3.935 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.847 -5.306 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.294 -6.043 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.587 -5.860 -2.499 1.00 0.00 H new ATOM 1534 N GLY A 97 0.304 -4.596 -6.140 1.00 0.00 N ATOM 1535 CA GLY A 97 -0.768 -5.169 -6.932 1.00 0.00 C ATOM 1536 C GLY A 97 -2.129 -4.625 -6.546 1.00 0.00 C ATOM 1537 O GLY A 97 -3.123 -5.352 -6.555 1.00 0.00 O ATOM 0 H GLY A 97 0.497 -3.612 -6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.585 -4.965 -7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.766 -6.252 -6.811 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.175 -3.341 -6.207 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.426 -2.699 -5.814 1.00 0.00 C ATOM 1543 C LEU A 98 -3.980 -3.320 -4.536 1.00 0.00 C ATOM 1544 O LEU A 98 -5.056 -3.916 -4.541 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.456 -2.813 -6.939 1.00 0.00 C ATOM 1546 CG LEU A 98 -5.593 -1.791 -6.915 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -5.142 -0.478 -7.535 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -6.814 -2.334 -7.641 1.00 0.00 C ATOM 0 H LEU A 98 -1.362 -2.725 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.220 -1.646 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.935 -2.724 -7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.891 -3.812 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.867 -1.604 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.964 0.238 -7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.297 -0.081 -6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.841 -0.648 -8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.613 -1.593 -7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.555 -2.550 -8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.151 -3.249 -7.153 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.237 -3.175 -3.444 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.655 -3.721 -2.158 1.00 0.00 C ATOM 1562 C GLN A 99 -4.163 -2.617 -1.237 1.00 0.00 C ATOM 1563 O GLN A 99 -3.434 -1.682 -0.908 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.494 -4.462 -1.491 1.00 0.00 C ATOM 1565 CG GLN A 99 -2.934 -5.446 -0.421 1.00 0.00 C ATOM 1566 CD GLN A 99 -3.496 -6.729 -1.004 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -2.779 -7.500 -1.643 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -4.784 -6.965 -0.786 1.00 0.00 N ATOM 0 H GLN A 99 -2.343 -2.684 -3.424 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.469 -4.423 -2.339 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.929 -4.997 -2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.817 -3.733 -1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.085 -5.684 0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.689 -4.977 0.210 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.341 -6.299 -0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.217 -7.813 -1.153 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.421 -2.730 -0.824 1.00 0.00 N ATOM 1578 CA LYS A 100 -6.029 -1.743 0.060 1.00 0.00 C ATOM 1579 C LYS A 100 -7.095 -2.385 0.943 1.00 0.00 C ATOM 1580 O LYS A 100 -7.951 -1.698 1.501 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.648 -0.607 -0.759 1.00 0.00 C ATOM 1582 CG LYS A 100 -5.879 0.699 -0.664 1.00 0.00 C ATOM 1583 CD LYS A 100 -6.731 1.806 -0.066 1.00 0.00 C ATOM 1584 CE LYS A 100 -7.645 2.432 -1.108 1.00 0.00 C ATOM 1585 NZ LYS A 100 -7.731 3.910 -0.954 1.00 0.00 N ATOM 0 H LYS A 100 -6.040 -3.497 -1.088 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.247 -1.337 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.703 -0.912 -1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.671 -0.442 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.988 0.554 -0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.540 0.996 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.331 1.404 0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.085 2.573 0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.277 2.192 -2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.642 1.999 -1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.363 4.299 -1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.106 4.140 -0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.784 4.326 -1.060 1.00 0.00 H new ATOM 1599 N LYS A 101 -7.036 -3.707 1.066 1.00 0.00 N ATOM 1600 CA LYS A 101 -7.994 -4.442 1.884 1.00 0.00 C ATOM 1601 C LYS A 101 -8.018 -3.904 3.310 1.00 0.00 C ATOM 1602 O LYS A 101 -9.024 -4.018 4.009 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.645 -5.933 1.896 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.489 -6.763 0.942 1.00 0.00 C ATOM 1605 CD LYS A 101 -8.759 -8.150 1.500 1.00 0.00 C ATOM 1606 CE LYS A 101 -9.929 -8.816 0.792 1.00 0.00 C ATOM 1607 NZ LYS A 101 -10.945 -9.324 1.757 1.00 0.00 N ATOM 0 H LYS A 101 -6.335 -4.291 0.610 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.984 -4.309 1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.593 -6.054 1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.770 -6.319 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.435 -6.255 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.978 -6.849 -0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.867 -8.767 1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.970 -8.080 2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.397 -8.102 0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.562 -9.642 0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.726 -9.771 1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.505 -10.024 2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.314 -8.532 2.322 1.00 0.00 H new ATOM 1621 N ASN A 102 -6.905 -3.315 3.736 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.800 -2.758 5.078 1.00 0.00 C ATOM 1623 C ASN A 102 -5.481 -2.014 5.258 1.00 0.00 C ATOM 1624 O ASN A 102 -4.458 -2.397 4.687 1.00 0.00 O ATOM 1625 CB ASN A 102 -6.919 -3.868 6.124 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.352 -3.343 7.479 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -6.745 -2.418 8.021 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.405 -3.931 8.034 1.00 0.00 N ATOM 0 H ASN A 102 -6.063 -3.212 3.170 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.617 -2.050 5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.637 -4.612 5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -5.959 -4.374 6.224 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -8.741 -3.620 8.945 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -8.878 -4.694 7.549 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.511 -0.950 6.053 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.316 -0.154 6.308 1.00 0.00 C ATOM 1637 C ILE A 103 -4.255 0.292 7.765 1.00 0.00 C ATOM 1638 O ILE A 103 -5.159 0.967 8.258 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.262 1.088 5.399 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -4.542 0.696 3.947 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -2.910 1.774 5.517 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -6.007 0.753 3.576 1.00 0.00 C ATOM 0 H ILE A 103 -6.349 -0.619 6.531 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.459 -0.791 6.089 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.031 1.789 5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.983 1.358 3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -4.171 -0.314 3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.888 2.650 4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.748 2.083 6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.123 1.081 5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.130 0.462 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -6.570 0.070 4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -6.379 1.768 3.716 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.180 -0.085 8.449 1.00 0.00 N ATOM 1655 CA LYS A 104 -2.996 0.278 9.849 1.00 0.00 C ATOM 1656 C LYS A 104 -2.175 1.556 9.976 1.00 0.00 C ATOM 1657 O LYS A 104 -0.944 1.513 10.004 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.311 -0.860 10.608 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.163 -1.454 11.714 1.00 0.00 C ATOM 1660 CD LYS A 104 -3.298 -0.500 12.888 1.00 0.00 C ATOM 1661 CE LYS A 104 -4.378 -0.957 13.857 1.00 0.00 C ATOM 1662 NZ LYS A 104 -4.423 -0.107 15.078 1.00 0.00 N ATOM 0 H LYS A 104 -2.422 -0.643 8.056 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.980 0.455 10.284 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.046 -1.648 9.903 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.380 -0.490 11.037 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.152 -1.694 11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.719 -2.390 12.054 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.345 -0.429 13.412 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.536 0.499 12.521 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.347 -0.930 13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.195 -1.993 14.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.172 -0.451 15.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.506 -0.153 15.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.623 0.877 14.809 1.00 0.00 H new ATOM 1676 N ILE A 105 -2.861 2.691 10.054 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.193 3.981 10.181 1.00 0.00 C ATOM 1678 C ILE A 105 -2.269 4.500 11.612 1.00 0.00 C ATOM 1679 O ILE A 105 -3.313 4.422 12.258 1.00 0.00 O ATOM 1680 CB ILE A 105 -2.806 5.028 9.233 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -2.990 4.437 7.833 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -1.930 6.270 9.177 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -4.420 4.058 7.521 1.00 0.00 C ATOM 0 H ILE A 105 -3.879 2.744 10.032 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.149 3.824 9.909 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.785 5.314 9.618 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.645 5.160 7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.359 3.554 7.734 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.377 7.000 8.503 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.846 6.701 10.175 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.939 6.000 8.814 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.476 3.646 6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.763 3.312 8.237 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.054 4.943 7.587 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.154 5.035 12.101 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.094 5.571 13.456 1.00 0.00 C ATOM 1697 C HIS A 106 -1.550 7.027 13.485 1.00 0.00 C ATOM 1698 O HIS A 106 -0.756 7.941 13.264 1.00 0.00 O ATOM 1699 CB HIS A 106 0.327 5.458 14.010 1.00 0.00 C ATOM 1700 CG HIS A 106 0.387 5.440 15.506 1.00 0.00 C ATOM 1701 ND1 HIS A 106 1.052 4.467 16.221 1.00 0.00 N ATOM 1702 CD2 HIS A 106 -0.140 6.285 16.424 1.00 0.00 C ATOM 1703 CE1 HIS A 106 0.932 4.712 17.514 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.213 5.812 17.664 1.00 0.00 N ATOM 0 H HIS A 106 -0.281 5.109 11.579 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.767 4.985 14.082 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.787 4.548 13.625 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.920 6.295 13.641 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -0.729 7.167 16.219 1.00 0.00 H new ATOM 0 HE1 HIS A 106 1.350 4.116 18.312 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -0.038 6.239 18.555 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.834 7.235 13.760 1.00 0.00 N ATOM 1713 CA GLY A 107 -3.372 8.582 13.811 1.00 0.00 C ATOM 1714 C GLY A 107 -3.378 9.151 15.216 1.00 0.00 C ATOM 1715 O GLY A 107 -4.146 8.708 16.070 1.00 0.00 O ATOM 0 H GLY A 107 -3.511 6.495 13.948 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.783 9.230 13.162 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.389 8.579 13.419 1.00 0.00 H new ATOM 1719 N PHE A 108 -2.517 10.135 15.457 1.00 0.00 N ATOM 1720 CA PHE A 108 -2.425 10.763 16.770 1.00 0.00 C ATOM 1721 C PHE A 108 -2.217 9.717 17.861 1.00 0.00 C ATOM 1722 O PHE A 108 -1.093 9.276 18.105 1.00 0.00 O ATOM 1723 CB PHE A 108 -3.688 11.575 17.062 1.00 0.00 C ATOM 1724 CG PHE A 108 -3.461 13.059 17.060 1.00 0.00 C ATOM 1725 CD1 PHE A 108 -3.488 13.778 15.875 1.00 0.00 C ATOM 1726 CD2 PHE A 108 -3.219 13.737 18.245 1.00 0.00 C ATOM 1727 CE1 PHE A 108 -3.280 15.143 15.873 1.00 0.00 C ATOM 1728 CE2 PHE A 108 -3.011 15.103 18.247 1.00 0.00 C ATOM 1729 CZ PHE A 108 -3.039 15.808 17.059 1.00 0.00 C ATOM 0 H PHE A 108 -1.874 10.514 14.761 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.565 11.432 16.764 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.447 11.331 16.319 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.085 11.278 18.033 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -3.674 13.265 14.943 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.193 13.191 19.177 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -3.306 15.691 14.943 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -2.827 15.620 19.177 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.873 16.875 17.058 1.00 0.00 H new