USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 943 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 NoAdj-H: A 9 HIS HD1 : A 9 HIS ND1 : A 338 ZNZN :(H bumps) USER MOD NoAdj-H: A 73 HIS HD1 : A 73 HIS ND1 : A 336 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 337 ZNZN :(H bumps) USER MOD NoAdj-H: A 86 HIS HD1 : A 86 HIS ND1 : A 337 ZNZN :(H bumps) USER MOD Set 1.1: A 94 ASN : amide:sc= 0.0574 K(o=0.85,f=-0.098) USER MOD Set 1.2: A 96 SER OG : rot -145:sc= 0.788 USER MOD Set 2.1: A 53 SER OG : rot -73:sc= 1.12 USER MOD Set 2.2: A 68 ASN : amide:sc= 1.36 K(o=2.5,f=-11!) USER MOD Set 3.1: A 16 GLN : amide:sc= -0.03 X(o=-3.8,f=-3.8) USER MOD Set 3.2: A 113 GLN : amide:sc= -3.8! C(o=-3.8!,f=-2.9!) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0493) USER MOD Single : A 18 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.028) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= -0.0244 (180deg=-0.135) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.31 K(o=-0.31,f=-1.6) USER MOD Single : A 29 ASN : amide:sc= -1.87! K(o=-1.9!,f=-0.12) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= -0.124 (180deg=-0.52) USER MOD Single : A 36 THR OG1 : rot -85:sc= -0.425! USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc=-0.000865 (180deg=-0.125) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -109:sc= 1.3 (180deg=0.895) USER MOD Single : A 48 THR OG1 : rot -37:sc= 0.0637 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 1.59 (180deg=1.51) USER MOD Single : A 62 HIS : no HE2:sc= -0.894 K(o=-0.89,f=-2.5) USER MOD Single : A 63 GLN : amide:sc= -4.9! C(o=-4.9!,f=-5!) USER MOD Single : A 69 SER OG : rot -96:sc= 1.82 USER MOD Single : A 70 GLN : amide:sc= 0.684 K(o=0.68,f=-0.89) USER MOD Single : A 72 GLN : amide:sc= -3.1! K(o=-3.1!,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.12) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 31:sc= 0.942 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 90:sc= -4.11! USER MOD Single : A 91 SER OG : rot -2:sc= 0.976! USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -4.54! C(o=-4.5!,f=-6.3!) USER MOD Single : A 107 GLN : amide:sc= 0.109 K(o=0.11,f=-0.79) USER MOD Single : A 108 TYR OH : rot -143:sc= -0.637! USER MOD Single : A 109 CYS SG : rot 180:sc= -0.0637 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -38:sc= 0.203 USER MOD Single : A 112 ASN : amide:sc= 0.308 K(o=0.31,f=-4.5!) USER MOD Single : A 116 GLN : amide:sc= -1.72! K(o=-1.7!,f=-0.012) USER MOD Single : A 120 TYR OH : rot 4:sc= -2.31 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0.266 K(o=0.27,f=-0.87) USER MOD Single : A 126 SER OG : rot 96:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 9.286 -21.183 -5.178 1.00 0.00 N ATOM 2 CA PRO A 5 9.315 -20.538 -6.507 1.00 0.00 C ATOM 3 C PRO A 5 8.321 -19.408 -6.558 1.00 0.00 C ATOM 4 O PRO A 5 8.485 -18.400 -7.275 1.00 0.00 O ATOM 5 CB PRO A 5 8.843 -21.633 -7.460 1.00 0.00 C ATOM 6 CG PRO A 5 8.223 -22.695 -6.614 1.00 0.00 C ATOM 7 CD PRO A 5 8.835 -22.587 -5.255 1.00 0.00 C ATOM 0 HA PRO A 5 10.299 -20.136 -6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.123 -21.239 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.678 -22.033 -8.035 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.142 -22.563 -6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.404 -23.682 -7.041 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.112 -22.818 -4.472 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.667 -23.281 -5.135 1.00 0.00 H new ATOM 15 N VAL A 6 7.293 -19.603 -5.821 1.00 0.00 N ATOM 16 CA VAL A 6 6.231 -18.687 -5.718 1.00 0.00 C ATOM 17 C VAL A 6 5.883 -18.546 -4.231 1.00 0.00 C ATOM 18 O VAL A 6 6.377 -19.323 -3.397 1.00 0.00 O ATOM 19 CB VAL A 6 5.006 -19.207 -6.536 1.00 0.00 C ATOM 20 CG1 VAL A 6 4.294 -20.373 -5.851 1.00 0.00 C ATOM 21 CG2 VAL A 6 4.058 -18.091 -6.883 1.00 0.00 C ATOM 0 H VAL A 6 7.167 -20.440 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 6 6.510 -17.715 -6.124 1.00 0.00 H new ATOM 0 HB VAL A 6 5.400 -19.601 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.451 -20.694 -6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.990 -21.203 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.932 -20.055 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.218 -18.490 -7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.689 -17.629 -5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.579 -17.344 -7.482 1.00 0.00 H new ATOM 31 N CYS A 7 5.032 -17.624 -3.922 1.00 0.00 N ATOM 32 CA CYS A 7 4.617 -17.387 -2.607 1.00 0.00 C ATOM 33 C CYS A 7 3.297 -18.122 -2.364 1.00 0.00 C ATOM 34 O CYS A 7 2.445 -18.207 -3.241 1.00 0.00 O ATOM 35 CB CYS A 7 4.487 -15.880 -2.370 1.00 0.00 C ATOM 36 SG CYS A 7 3.644 -15.422 -0.853 1.00 0.00 S ATOM 0 H CYS A 7 4.602 -17.004 -4.609 1.00 0.00 H new ATOM 0 HA CYS A 7 5.354 -17.766 -1.898 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.485 -15.441 -2.360 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.953 -15.439 -3.212 1.00 0.00 H new ATOM 41 N ARG A 8 3.170 -18.670 -1.188 1.00 0.00 N ATOM 42 CA ARG A 8 1.978 -19.381 -0.765 1.00 0.00 C ATOM 43 C ARG A 8 1.239 -18.608 0.302 1.00 0.00 C ATOM 44 O ARG A 8 0.300 -19.097 0.902 1.00 0.00 O ATOM 45 CB ARG A 8 2.296 -20.787 -0.225 1.00 0.00 C ATOM 46 CG ARG A 8 2.733 -21.797 -1.277 1.00 0.00 C ATOM 47 CD ARG A 8 4.183 -21.637 -1.679 1.00 0.00 C ATOM 48 NE ARG A 8 5.082 -21.927 -0.548 1.00 0.00 N ATOM 49 CZ ARG A 8 6.295 -22.481 -0.640 1.00 0.00 C ATOM 50 NH1 ARG A 8 6.756 -22.912 -1.816 1.00 0.00 N ATOM 51 NH2 ARG A 8 7.029 -22.637 0.451 1.00 0.00 N ATOM 0 H ARG A 8 3.901 -18.639 -0.477 1.00 0.00 H new ATOM 0 HA ARG A 8 1.353 -19.483 -1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.083 -20.702 0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.412 -21.173 0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.577 -22.805 -0.893 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.102 -21.691 -2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.410 -22.307 -2.509 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.355 -20.621 -2.033 1.00 0.00 H new ATOM 0 HE ARG A 8 4.750 -21.684 0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.181 -22.820 -2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.683 -23.333 -1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.668 -22.335 1.356 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.955 -23.059 0.386 1.00 0.00 H new ATOM 65 N HIS A 9 1.622 -17.369 0.494 1.00 0.00 N ATOM 66 CA HIS A 9 0.983 -16.507 1.503 1.00 0.00 C ATOM 67 C HIS A 9 -0.010 -15.625 0.801 1.00 0.00 C ATOM 68 O HIS A 9 -0.455 -14.628 1.352 1.00 0.00 O ATOM 69 CB HIS A 9 2.002 -15.573 2.202 1.00 0.00 C ATOM 70 CG HIS A 9 3.115 -16.235 2.942 1.00 0.00 C ATOM 71 ND1 HIS A 9 4.412 -16.049 2.560 1.00 0.00 N ATOM 72 CD2 HIS A 9 3.086 -17.006 4.055 1.00 0.00 C ATOM 73 CE1 HIS A 9 5.151 -16.701 3.441 1.00 0.00 C ATOM 74 NE2 HIS A 9 4.389 -17.295 4.365 1.00 0.00 N ATOM 0 H HIS A 9 2.374 -16.919 -0.028 1.00 0.00 H new ATOM 0 HA HIS A 9 0.523 -17.153 2.251 1.00 0.00 H new ATOM 0 HB2 HIS A 9 2.437 -14.917 1.447 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.458 -14.938 2.901 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.207 -17.330 4.593 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.230 -16.748 3.417 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.716 -17.857 5.151 1.00 0.00 H new ATOM 82 N ILE A 10 -0.360 -16.023 -0.413 1.00 0.00 N ATOM 83 CA ILE A 10 -1.219 -15.251 -1.283 1.00 0.00 C ATOM 84 C ILE A 10 -2.536 -15.001 -0.606 1.00 0.00 C ATOM 85 O ILE A 10 -2.908 -13.891 -0.354 1.00 0.00 O ATOM 86 CB ILE A 10 -1.484 -16.018 -2.614 1.00 0.00 C ATOM 87 CG1 ILE A 10 -0.164 -16.363 -3.319 1.00 0.00 C ATOM 88 CG2 ILE A 10 -2.408 -15.225 -3.544 1.00 0.00 C ATOM 89 CD1 ILE A 10 0.721 -15.179 -3.625 1.00 0.00 C ATOM 0 H ILE A 10 -0.048 -16.904 -0.822 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.721 -14.306 -1.501 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.990 -16.950 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.392 -17.062 -2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.391 -16.879 -4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.571 -15.789 -4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.364 -15.054 -3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.947 -14.267 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.628 -15.522 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.189 -14.486 -4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.985 -14.673 -2.697 1.00 0.00 H new ATOM 101 N ARG A 11 -3.177 -16.087 -0.251 1.00 0.00 N ATOM 102 CA ARG A 11 -4.485 -16.078 0.379 1.00 0.00 C ATOM 103 C ARG A 11 -4.465 -15.340 1.719 1.00 0.00 C ATOM 104 O ARG A 11 -5.429 -14.682 2.080 1.00 0.00 O ATOM 105 CB ARG A 11 -4.980 -17.497 0.568 1.00 0.00 C ATOM 106 CG ARG A 11 -5.219 -18.265 -0.731 1.00 0.00 C ATOM 107 CD ARG A 11 -5.509 -19.735 -0.455 1.00 0.00 C ATOM 108 NE ARG A 11 -5.817 -20.500 -1.682 1.00 0.00 N ATOM 109 CZ ARG A 11 -5.627 -21.825 -1.840 1.00 0.00 C ATOM 110 NH1 ARG A 11 -4.884 -22.502 -0.968 1.00 0.00 N ATOM 111 NH2 ARG A 11 -6.133 -22.453 -2.904 1.00 0.00 N ATOM 0 H ARG A 11 -2.801 -17.024 -0.393 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.168 -15.542 -0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.254 -18.044 1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.910 -17.471 1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.056 -17.821 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.343 -18.179 -1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.648 -20.183 0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.349 -19.811 0.235 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.204 -19.984 -2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.457 -22.018 -0.178 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.742 -23.505 -1.090 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.665 -21.930 -3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.988 -23.456 -3.021 1.00 0.00 H new ATOM 125 N LYS A 12 -3.358 -15.439 2.434 1.00 0.00 N ATOM 126 CA LYS A 12 -3.213 -14.767 3.718 1.00 0.00 C ATOM 127 C LYS A 12 -3.187 -13.265 3.543 1.00 0.00 C ATOM 128 O LYS A 12 -3.750 -12.522 4.344 1.00 0.00 O ATOM 129 CB LYS A 12 -1.930 -15.186 4.418 1.00 0.00 C ATOM 130 CG LYS A 12 -1.843 -16.634 4.814 1.00 0.00 C ATOM 131 CD LYS A 12 -0.496 -16.903 5.443 1.00 0.00 C ATOM 132 CE LYS A 12 -0.363 -18.329 5.922 1.00 0.00 C ATOM 133 NZ LYS A 12 -1.250 -18.634 7.066 1.00 0.00 N ATOM 0 H LYS A 12 -2.542 -15.980 2.148 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.072 -15.056 4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.090 -14.957 3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.811 -14.576 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.640 -16.879 5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.982 -17.270 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.290 -16.690 4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.347 -16.224 6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.592 -19.007 5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.671 -18.516 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.034 -19.584 7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.099 -17.933 7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.242 -18.599 6.755 1.00 0.00 H new ATOM 147 N GLY A 13 -2.579 -12.844 2.479 1.00 0.00 N ATOM 148 CA GLY A 13 -2.361 -11.446 2.237 1.00 0.00 C ATOM 149 C GLY A 13 -3.257 -10.880 1.189 1.00 0.00 C ATOM 150 O GLY A 13 -3.020 -9.792 0.724 1.00 0.00 O ATOM 0 H GLY A 13 -2.218 -13.459 1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.509 -10.896 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.324 -11.294 1.939 1.00 0.00 H new ATOM 154 N LEU A 14 -4.247 -11.618 0.797 1.00 0.00 N ATOM 155 CA LEU A 14 -5.168 -11.181 -0.205 1.00 0.00 C ATOM 156 C LEU A 14 -6.563 -11.469 0.291 1.00 0.00 C ATOM 157 O LEU A 14 -6.932 -12.635 0.466 1.00 0.00 O ATOM 158 CB LEU A 14 -4.856 -11.951 -1.480 1.00 0.00 C ATOM 159 CG LEU A 14 -5.416 -11.458 -2.790 1.00 0.00 C ATOM 160 CD1 LEU A 14 -4.654 -12.079 -3.900 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.865 -11.785 -2.958 1.00 0.00 C ATOM 0 H LEU A 14 -4.441 -12.549 1.166 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.088 -10.113 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.772 -11.993 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.203 -12.975 -1.339 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.322 -10.372 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.050 -11.730 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.603 -11.801 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.748 -13.163 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.214 -11.406 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.000 -12.866 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.438 -11.322 -2.155 1.00 0.00 H new ATOM 173 N GLU A 15 -7.329 -10.449 0.545 1.00 0.00 N ATOM 174 CA GLU A 15 -8.658 -10.658 1.068 1.00 0.00 C ATOM 175 C GLU A 15 -9.655 -10.048 0.071 1.00 0.00 C ATOM 176 O GLU A 15 -10.016 -8.894 0.222 1.00 0.00 O ATOM 177 CB GLU A 15 -8.753 -9.920 2.396 1.00 0.00 C ATOM 178 CG GLU A 15 -9.715 -10.497 3.410 1.00 0.00 C ATOM 179 CD GLU A 15 -10.996 -11.071 2.819 1.00 0.00 C ATOM 180 OE1 GLU A 15 -11.018 -12.264 2.476 1.00 0.00 O ATOM 181 OE2 GLU A 15 -11.996 -10.344 2.678 1.00 0.00 O ATOM 0 H GLU A 15 -7.066 -9.474 0.403 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.874 -11.717 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.760 -9.890 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.043 -8.889 2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.205 -11.282 3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.979 -9.717 4.125 1.00 0.00 H new ATOM 188 N GLN A 16 -10.106 -10.812 -0.929 1.00 0.00 N ATOM 189 CA GLN A 16 -10.908 -10.225 -2.031 1.00 0.00 C ATOM 190 C GLN A 16 -12.125 -9.434 -1.563 1.00 0.00 C ATOM 191 O GLN A 16 -12.355 -8.329 -2.027 1.00 0.00 O ATOM 192 CB GLN A 16 -11.386 -11.248 -3.052 1.00 0.00 C ATOM 193 CG GLN A 16 -10.316 -12.112 -3.683 1.00 0.00 C ATOM 194 CD GLN A 16 -10.851 -12.883 -4.882 1.00 0.00 C ATOM 195 OE1 GLN A 16 -11.348 -14.006 -4.758 1.00 0.00 O ATOM 196 NE2 GLN A 16 -10.769 -12.288 -6.044 1.00 0.00 N ATOM 0 H GLN A 16 -9.940 -11.815 -1.008 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.199 -9.544 -2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.113 -11.901 -2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.912 -10.719 -3.847 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.480 -11.486 -3.996 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.930 -12.812 -2.942 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.353 -11.359 -6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.122 -12.753 -6.881 1.00 0.00 H new ATOM 205 N GLY A 17 -12.853 -9.986 -0.616 1.00 0.00 N ATOM 206 CA GLY A 17 -14.087 -9.372 -0.164 1.00 0.00 C ATOM 207 C GLY A 17 -13.851 -8.041 0.496 1.00 0.00 C ATOM 208 O GLY A 17 -14.540 -7.074 0.217 1.00 0.00 O ATOM 0 H GLY A 17 -12.614 -10.858 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.758 -9.241 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.587 -10.040 0.537 1.00 0.00 H new ATOM 212 N ASN A 18 -12.834 -7.990 1.308 1.00 0.00 N ATOM 213 CA ASN A 18 -12.438 -6.802 2.060 1.00 0.00 C ATOM 214 C ASN A 18 -11.854 -5.761 1.104 1.00 0.00 C ATOM 215 O ASN A 18 -12.055 -4.554 1.277 1.00 0.00 O ATOM 216 CB ASN A 18 -11.404 -7.267 3.083 1.00 0.00 C ATOM 217 CG ASN A 18 -10.794 -6.231 4.000 1.00 0.00 C ATOM 218 OD1 ASN A 18 -11.395 -5.203 4.341 1.00 0.00 O ATOM 219 ND2 ASN A 18 -9.594 -6.532 4.429 1.00 0.00 N ATOM 0 H ASN A 18 -12.229 -8.793 1.480 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.283 -6.333 2.564 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.871 -8.030 3.706 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.592 -7.751 2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.111 -5.907 5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.142 -7.392 4.118 1.00 0.00 H new ATOM 226 N LEU A 19 -11.173 -6.253 0.078 1.00 0.00 N ATOM 227 CA LEU A 19 -10.581 -5.424 -0.981 1.00 0.00 C ATOM 228 C LEU A 19 -11.595 -4.546 -1.633 1.00 0.00 C ATOM 229 O LEU A 19 -11.428 -3.332 -1.632 1.00 0.00 O ATOM 230 CB LEU A 19 -9.906 -6.285 -2.041 1.00 0.00 C ATOM 231 CG LEU A 19 -8.452 -6.703 -1.809 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.525 -5.750 -2.490 1.00 0.00 C ATOM 233 CD2 LEU A 19 -8.090 -6.748 -0.349 1.00 0.00 C ATOM 0 H LEU A 19 -11.010 -7.252 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.834 -4.793 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.499 -7.192 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.951 -5.746 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.351 -7.707 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.494 -6.059 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.728 -5.747 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.675 -4.747 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.048 -7.050 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.229 -5.760 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.731 -7.466 0.163 1.00 0.00 H new ATOM 245 N LYS A 20 -12.691 -5.139 -2.130 1.00 0.00 N ATOM 246 CA LYS A 20 -13.734 -4.362 -2.814 1.00 0.00 C ATOM 247 C LYS A 20 -14.230 -3.220 -1.930 1.00 0.00 C ATOM 248 O LYS A 20 -14.387 -2.088 -2.398 1.00 0.00 O ATOM 249 CB LYS A 20 -14.950 -5.222 -3.232 1.00 0.00 C ATOM 250 CG LYS A 20 -14.796 -6.092 -4.483 1.00 0.00 C ATOM 251 CD LYS A 20 -13.797 -7.207 -4.331 1.00 0.00 C ATOM 252 CE LYS A 20 -13.670 -8.038 -5.604 1.00 0.00 C ATOM 253 NZ LYS A 20 -14.941 -8.695 -6.003 1.00 0.00 N ATOM 0 H LYS A 20 -12.876 -6.140 -2.072 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.266 -3.969 -3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.206 -5.874 -2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.798 -4.555 -3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.766 -6.519 -4.739 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.496 -5.460 -5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.824 -6.789 -4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.097 -7.852 -3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.330 -7.396 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.905 -8.800 -5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.755 -9.374 -6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.344 -9.196 -5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.615 -7.975 -6.335 1.00 0.00 H new ATOM 267 N LYS A 21 -14.346 -3.489 -0.641 1.00 0.00 N ATOM 268 CA LYS A 21 -14.946 -2.555 0.285 1.00 0.00 C ATOM 269 C LYS A 21 -13.986 -1.412 0.569 1.00 0.00 C ATOM 270 O LYS A 21 -14.405 -0.272 0.785 1.00 0.00 O ATOM 271 CB LYS A 21 -15.293 -3.274 1.578 1.00 0.00 C ATOM 272 CG LYS A 21 -15.906 -4.645 1.367 1.00 0.00 C ATOM 273 CD LYS A 21 -17.169 -4.593 0.539 1.00 0.00 C ATOM 274 CE LYS A 21 -17.726 -5.983 0.287 1.00 0.00 C ATOM 275 NZ LYS A 21 -18.881 -5.959 -0.639 1.00 0.00 N ATOM 0 H LYS A 21 -14.027 -4.358 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.855 -2.147 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.390 -3.378 2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.988 -2.659 2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.180 -5.292 0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.128 -5.093 2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.917 -3.988 1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.961 -4.105 -0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.943 -6.618 -0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.030 -6.429 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.230 -6.928 -0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.639 -5.375 -0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.586 -5.558 -1.552 1.00 0.00 H new ATOM 289 N ALA A 22 -12.712 -1.707 0.536 1.00 0.00 N ATOM 290 CA ALA A 22 -11.704 -0.724 0.818 1.00 0.00 C ATOM 291 C ALA A 22 -11.498 0.185 -0.366 1.00 0.00 C ATOM 292 O ALA A 22 -11.338 1.402 -0.211 1.00 0.00 O ATOM 293 CB ALA A 22 -10.404 -1.405 1.161 1.00 0.00 C ATOM 0 H ALA A 22 -12.347 -2.633 0.313 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.038 -0.125 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.644 -0.653 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.545 -2.037 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.082 -2.019 0.320 1.00 0.00 H new ATOM 299 N LEU A 23 -11.546 -0.398 -1.556 1.00 0.00 N ATOM 300 CA LEU A 23 -11.268 0.326 -2.774 1.00 0.00 C ATOM 301 C LEU A 23 -12.447 1.210 -3.174 1.00 0.00 C ATOM 302 O LEU A 23 -12.325 2.042 -4.055 1.00 0.00 O ATOM 303 CB LEU A 23 -10.892 -0.620 -3.917 1.00 0.00 C ATOM 304 CG LEU A 23 -9.924 -1.769 -3.572 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.494 -2.528 -4.790 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.723 -1.354 -2.714 1.00 0.00 C ATOM 0 H LEU A 23 -11.778 -1.381 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.411 0.970 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.809 -1.055 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.447 -0.028 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.507 -2.441 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.813 -3.328 -4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.369 -2.957 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.987 -1.853 -5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.096 -2.224 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.142 -0.599 -3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.076 -0.943 -1.768 1.00 0.00 H new ATOM 318 N VAL A 24 -13.570 1.021 -2.510 1.00 0.00 N ATOM 319 CA VAL A 24 -14.784 1.838 -2.750 1.00 0.00 C ATOM 320 C VAL A 24 -14.494 3.341 -2.593 1.00 0.00 C ATOM 321 O VAL A 24 -14.713 4.136 -3.505 1.00 0.00 O ATOM 322 CB VAL A 24 -15.959 1.460 -1.779 1.00 0.00 C ATOM 323 CG1 VAL A 24 -17.104 2.452 -1.893 1.00 0.00 C ATOM 324 CG2 VAL A 24 -16.483 0.080 -2.069 1.00 0.00 C ATOM 0 H VAL A 24 -13.686 0.307 -1.791 1.00 0.00 H new ATOM 0 HA VAL A 24 -15.085 1.623 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.555 1.487 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.903 2.165 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.748 3.450 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.484 2.454 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.295 -0.153 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.853 0.039 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.681 -0.648 -1.943 1.00 0.00 H new ATOM 334 N ASN A 25 -13.983 3.710 -1.452 1.00 0.00 N ATOM 335 CA ASN A 25 -13.764 5.121 -1.142 1.00 0.00 C ATOM 336 C ASN A 25 -12.295 5.418 -1.030 1.00 0.00 C ATOM 337 O ASN A 25 -11.884 6.437 -0.468 1.00 0.00 O ATOM 338 CB ASN A 25 -14.489 5.492 0.159 1.00 0.00 C ATOM 339 CG ASN A 25 -16.003 5.502 0.018 1.00 0.00 C ATOM 340 OD1 ASN A 25 -16.545 5.809 -1.049 1.00 0.00 O ATOM 341 ND2 ASN A 25 -16.696 5.148 1.066 1.00 0.00 N ATOM 0 H ASN A 25 -13.706 3.064 -0.713 1.00 0.00 H new ATOM 0 HA ASN A 25 -14.170 5.723 -1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -14.208 4.784 0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -14.154 6.476 0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -17.714 5.119 1.018 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -16.219 4.900 1.933 1.00 0.00 H new ATOM 348 N VAL A 26 -11.510 4.542 -1.584 1.00 0.00 N ATOM 349 CA VAL A 26 -10.096 4.620 -1.516 1.00 0.00 C ATOM 350 C VAL A 26 -9.531 5.752 -2.367 1.00 0.00 C ATOM 351 O VAL A 26 -10.150 6.220 -3.344 1.00 0.00 O ATOM 352 CB VAL A 26 -9.510 3.289 -1.980 1.00 0.00 C ATOM 353 CG1 VAL A 26 -9.414 3.129 -3.464 1.00 0.00 C ATOM 354 CG2 VAL A 26 -8.284 2.899 -1.260 1.00 0.00 C ATOM 0 H VAL A 26 -11.852 3.736 -2.107 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.820 4.830 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.261 2.555 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.987 2.154 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.409 3.204 -3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.777 3.912 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.925 1.944 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.518 3.660 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.501 2.805 -0.196 1.00 0.00 H new ATOM 364 N GLU A 27 -8.392 6.174 -1.977 1.00 0.00 N ATOM 365 CA GLU A 27 -7.619 7.125 -2.687 1.00 0.00 C ATOM 366 C GLU A 27 -6.492 6.407 -3.350 1.00 0.00 C ATOM 367 O GLU A 27 -5.670 5.756 -2.706 1.00 0.00 O ATOM 368 CB GLU A 27 -7.086 8.250 -1.811 1.00 0.00 C ATOM 369 CG GLU A 27 -6.370 7.819 -0.557 1.00 0.00 C ATOM 370 CD GLU A 27 -7.275 7.250 0.501 1.00 0.00 C ATOM 371 OE1 GLU A 27 -7.868 8.022 1.262 1.00 0.00 O ATOM 372 OE2 GLU A 27 -7.436 6.012 0.561 1.00 0.00 O ATOM 0 H GLU A 27 -7.949 5.854 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.268 7.604 -3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.404 8.857 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.920 8.892 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.620 7.073 -0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.838 8.675 -0.143 1.00 0.00 H new ATOM 379 N TRP A 28 -6.466 6.497 -4.604 1.00 0.00 N ATOM 380 CA TRP A 28 -5.517 5.812 -5.390 1.00 0.00 C ATOM 381 C TRP A 28 -4.262 6.564 -5.565 1.00 0.00 C ATOM 382 O TRP A 28 -4.267 7.742 -5.911 1.00 0.00 O ATOM 383 CB TRP A 28 -6.113 5.382 -6.699 1.00 0.00 C ATOM 384 CG TRP A 28 -6.912 4.164 -6.541 1.00 0.00 C ATOM 385 CD1 TRP A 28 -8.221 4.003 -6.784 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.426 2.923 -6.072 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.590 2.720 -6.504 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.494 2.040 -6.069 1.00 0.00 C ATOM 389 CE3 TRP A 28 -5.176 2.474 -5.660 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -7.360 0.744 -5.678 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -5.051 1.179 -5.264 1.00 0.00 C ATOM 392 CH2 TRP A 28 -6.138 0.329 -5.277 1.00 0.00 C ATOM 0 H TRP A 28 -7.120 7.065 -5.143 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.240 4.912 -4.841 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.738 6.181 -7.097 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.318 5.207 -7.424 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -8.884 4.774 -7.147 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.529 2.335 -6.604 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.324 3.138 -5.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.203 0.069 -5.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.090 0.812 -4.936 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.009 -0.695 -4.958 1.00 0.00 H new ATOM 403 N ASN A 29 -3.173 5.861 -5.251 1.00 0.00 N ATOM 404 CA ASN A 29 -1.801 6.360 -5.368 1.00 0.00 C ATOM 405 C ASN A 29 -1.557 7.440 -4.337 1.00 0.00 C ATOM 406 O ASN A 29 -0.604 8.210 -4.407 1.00 0.00 O ATOM 407 CB ASN A 29 -1.542 6.855 -6.779 1.00 0.00 C ATOM 408 CG ASN A 29 -0.103 6.828 -7.187 1.00 0.00 C ATOM 409 OD1 ASN A 29 0.370 7.715 -7.904 1.00 0.00 O ATOM 410 ND2 ASN A 29 0.577 5.799 -6.837 1.00 0.00 N ATOM 0 H ASN A 29 -3.221 4.905 -4.899 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.100 5.549 -5.173 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.117 6.246 -7.476 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.913 7.876 -6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.541 5.694 -7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.154 5.086 -6.243 1.00 0.00 H new ATOM 417 N ILE A 30 -2.408 7.440 -3.356 1.00 0.00 N ATOM 418 CA ILE A 30 -2.346 8.359 -2.274 1.00 0.00 C ATOM 419 C ILE A 30 -2.267 7.561 -1.021 1.00 0.00 C ATOM 420 O ILE A 30 -3.240 6.922 -0.648 1.00 0.00 O ATOM 421 CB ILE A 30 -3.615 9.257 -2.200 1.00 0.00 C ATOM 422 CG1 ILE A 30 -3.774 10.083 -3.482 1.00 0.00 C ATOM 423 CG2 ILE A 30 -3.584 10.165 -0.952 1.00 0.00 C ATOM 424 CD1 ILE A 30 -5.012 10.942 -3.530 1.00 0.00 C ATOM 0 H ILE A 30 -3.183 6.781 -3.290 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.482 9.009 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.483 8.604 -2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.899 10.724 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.786 9.405 -4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.483 10.781 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.542 9.548 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.705 10.808 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.039 11.489 -4.472 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.897 10.310 -3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.997 11.649 -2.701 1.00 0.00 H new ATOM 436 N CYS A 31 -1.089 7.483 -0.441 1.00 0.00 N ATOM 437 CA CYS A 31 -0.940 6.857 0.853 1.00 0.00 C ATOM 438 C CYS A 31 -1.899 7.475 1.870 1.00 0.00 C ATOM 439 O CYS A 31 -1.676 8.558 2.388 1.00 0.00 O ATOM 440 CB CYS A 31 0.523 6.883 1.342 1.00 0.00 C ATOM 441 SG CYS A 31 0.795 6.417 3.059 1.00 0.00 S ATOM 0 H CYS A 31 -0.224 7.844 -0.844 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.208 5.806 0.746 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.108 6.216 0.709 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.916 7.889 1.193 1.00 0.00 H new ATOM 446 N GLN A 32 -2.968 6.762 2.134 1.00 0.00 N ATOM 447 CA GLN A 32 -3.992 7.157 3.073 1.00 0.00 C ATOM 448 C GLN A 32 -3.430 7.141 4.459 1.00 0.00 C ATOM 449 O GLN A 32 -3.974 7.739 5.340 1.00 0.00 O ATOM 450 CB GLN A 32 -5.193 6.210 3.013 1.00 0.00 C ATOM 451 CG GLN A 32 -4.875 4.756 3.249 1.00 0.00 C ATOM 452 CD GLN A 32 -6.120 3.928 3.232 1.00 0.00 C ATOM 453 OE1 GLN A 32 -6.733 3.671 4.267 1.00 0.00 O ATOM 454 NE2 GLN A 32 -6.547 3.570 2.068 1.00 0.00 N ATOM 0 H GLN A 32 -3.155 5.864 1.688 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.326 8.161 2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.925 6.530 3.754 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.665 6.308 2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.187 4.401 2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.370 4.641 4.208 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.009 3.803 1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.423 3.054 1.982 1.00 0.00 H new ATOM 463 N ASP A 33 -2.319 6.468 4.652 1.00 0.00 N ATOM 464 CA ASP A 33 -1.708 6.447 5.962 1.00 0.00 C ATOM 465 C ASP A 33 -0.976 7.783 6.213 1.00 0.00 C ATOM 466 O ASP A 33 -0.676 8.140 7.337 1.00 0.00 O ATOM 467 CB ASP A 33 -0.793 5.242 6.138 1.00 0.00 C ATOM 468 CG ASP A 33 -0.545 4.926 7.601 1.00 0.00 C ATOM 469 OD1 ASP A 33 -1.358 4.196 8.208 1.00 0.00 O ATOM 470 OD2 ASP A 33 0.446 5.390 8.161 1.00 0.00 O ATOM 0 H ASP A 33 -1.827 5.937 3.934 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.489 6.341 6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.238 4.375 5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.159 5.434 5.642 1.00 0.00 H new ATOM 475 N CYS A 34 -0.735 8.554 5.126 1.00 0.00 N ATOM 476 CA CYS A 34 -0.212 9.876 5.225 1.00 0.00 C ATOM 477 C CYS A 34 -1.359 10.814 5.625 1.00 0.00 C ATOM 478 O CYS A 34 -1.185 11.799 6.297 1.00 0.00 O ATOM 479 CB CYS A 34 0.309 10.301 3.851 1.00 0.00 C ATOM 480 SG CYS A 34 2.024 9.890 3.384 1.00 0.00 S ATOM 0 H CYS A 34 -0.909 8.247 4.169 1.00 0.00 H new ATOM 0 HA CYS A 34 0.592 9.916 5.960 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.349 9.863 3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.200 11.383 3.779 1.00 0.00 H new ATOM 485 N LYS A 35 -2.519 10.429 5.207 1.00 0.00 N ATOM 486 CA LYS A 35 -3.721 11.148 5.330 1.00 0.00 C ATOM 487 C LYS A 35 -4.397 10.903 6.675 1.00 0.00 C ATOM 488 O LYS A 35 -5.050 11.788 7.246 1.00 0.00 O ATOM 489 CB LYS A 35 -4.533 10.594 4.228 1.00 0.00 C ATOM 490 CG LYS A 35 -5.897 11.079 4.142 1.00 0.00 C ATOM 491 CD LYS A 35 -6.635 10.407 3.018 1.00 0.00 C ATOM 492 CE LYS A 35 -6.198 10.922 1.647 1.00 0.00 C ATOM 493 NZ LYS A 35 -6.408 12.382 1.503 1.00 0.00 N ATOM 0 H LYS A 35 -2.649 9.534 4.736 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.579 12.228 5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.030 10.813 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.559 9.509 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.413 10.893 5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.895 12.158 3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.469 9.331 3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.706 10.570 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.144 10.692 1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.755 10.398 0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.445 12.630 0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.304 12.650 1.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.623 12.892 1.956 1.00 0.00 H new ATOM 507 N THR A 36 -4.225 9.723 7.181 1.00 0.00 N ATOM 508 CA THR A 36 -4.802 9.329 8.423 1.00 0.00 C ATOM 509 C THR A 36 -3.809 9.571 9.515 1.00 0.00 C ATOM 510 O THR A 36 -3.944 9.074 10.641 1.00 0.00 O ATOM 511 CB THR A 36 -5.219 7.854 8.397 1.00 0.00 C ATOM 512 OG1 THR A 36 -4.144 7.058 7.883 1.00 0.00 O ATOM 513 CG2 THR A 36 -6.443 7.664 7.537 1.00 0.00 C ATOM 0 H THR A 36 -3.669 8.995 6.733 1.00 0.00 H new ATOM 0 HA THR A 36 -5.700 9.920 8.602 1.00 0.00 H new ATOM 0 HB THR A 36 -5.454 7.541 9.414 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.178 7.056 6.904 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.724 6.611 7.531 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.265 8.256 7.938 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.226 7.987 6.519 1.00 0.00 H new ATOM 521 N ASP A 37 -2.789 10.322 9.160 1.00 0.00 N ATOM 522 CA ASP A 37 -1.791 10.733 10.077 1.00 0.00 C ATOM 523 C ASP A 37 -2.359 11.705 11.076 1.00 0.00 C ATOM 524 O ASP A 37 -2.542 12.892 10.807 1.00 0.00 O ATOM 525 CB ASP A 37 -0.587 11.311 9.377 1.00 0.00 C ATOM 526 CG ASP A 37 0.322 12.036 10.333 1.00 0.00 C ATOM 527 OD1 ASP A 37 1.008 11.377 11.147 1.00 0.00 O ATOM 528 OD2 ASP A 37 0.341 13.268 10.295 1.00 0.00 O ATOM 0 H ASP A 37 -2.643 10.660 8.209 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.451 9.847 10.614 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.034 10.511 8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.915 11.997 8.597 1.00 0.00 H new ATOM 533 N ASN A 38 -2.765 11.149 12.149 1.00 0.00 N ATOM 534 CA ASN A 38 -3.245 11.911 13.302 1.00 0.00 C ATOM 535 C ASN A 38 -2.061 12.429 14.118 1.00 0.00 C ATOM 536 O ASN A 38 -2.173 13.416 14.857 1.00 0.00 O ATOM 537 CB ASN A 38 -4.090 11.011 14.197 1.00 0.00 C ATOM 538 CG ASN A 38 -4.780 11.764 15.342 1.00 0.00 C ATOM 539 OD1 ASN A 38 -4.231 11.919 16.440 1.00 0.00 O ATOM 540 ND2 ASN A 38 -5.980 12.223 15.103 1.00 0.00 N ATOM 0 H ASN A 38 -2.786 10.138 12.284 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.841 12.749 12.941 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.847 10.515 13.590 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.456 10.230 14.616 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.489 12.724 15.831 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.408 12.080 14.188 1.00 0.00 H new ATOM 547 N LYS A 39 -0.935 11.767 13.952 1.00 0.00 N ATOM 548 CA LYS A 39 0.273 12.031 14.727 1.00 0.00 C ATOM 549 C LYS A 39 0.842 13.409 14.420 1.00 0.00 C ATOM 550 O LYS A 39 0.925 14.267 15.300 1.00 0.00 O ATOM 551 CB LYS A 39 1.331 10.967 14.432 1.00 0.00 C ATOM 552 CG LYS A 39 0.850 9.534 14.620 1.00 0.00 C ATOM 553 CD LYS A 39 1.928 8.534 14.226 1.00 0.00 C ATOM 554 CE LYS A 39 3.090 8.487 15.224 1.00 0.00 C ATOM 555 NZ LYS A 39 2.678 7.961 16.544 1.00 0.00 N ATOM 0 H LYS A 39 -0.825 11.019 13.267 1.00 0.00 H new ATOM 0 HA LYS A 39 0.002 11.998 15.782 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.676 11.090 13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.191 11.137 15.080 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.567 9.376 15.661 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.043 9.366 14.018 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.484 7.542 14.146 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.313 8.792 13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.887 7.863 14.820 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.501 9.489 15.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.522 7.773 17.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.078 8.661 17.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.144 7.078 16.415 1.00 0.00 H new ATOM 569 N VAL A 40 1.198 13.624 13.180 1.00 0.00 N ATOM 570 CA VAL A 40 1.820 14.882 12.767 1.00 0.00 C ATOM 571 C VAL A 40 0.754 15.965 12.560 1.00 0.00 C ATOM 572 O VAL A 40 -0.354 15.689 12.089 1.00 0.00 O ATOM 573 CB VAL A 40 2.657 14.712 11.465 1.00 0.00 C ATOM 574 CG1 VAL A 40 3.376 15.985 11.080 1.00 0.00 C ATOM 575 CG2 VAL A 40 3.639 13.578 11.600 1.00 0.00 C ATOM 0 H VAL A 40 1.072 12.949 12.426 1.00 0.00 H new ATOM 0 HA VAL A 40 2.496 15.187 13.566 1.00 0.00 H new ATOM 0 HB VAL A 40 1.954 14.476 10.666 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.947 15.819 10.166 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.647 16.778 10.913 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.053 16.277 11.882 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.211 13.480 10.677 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.318 13.781 12.428 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.100 12.651 11.792 1.00 0.00 H new ATOM 585 N LYS A 41 1.077 17.179 12.919 1.00 0.00 N ATOM 586 CA LYS A 41 0.155 18.290 12.787 1.00 0.00 C ATOM 587 C LYS A 41 0.313 19.042 11.476 1.00 0.00 C ATOM 588 O LYS A 41 -0.680 19.426 10.860 1.00 0.00 O ATOM 589 CB LYS A 41 0.265 19.239 13.983 1.00 0.00 C ATOM 590 CG LYS A 41 -0.428 18.740 15.224 1.00 0.00 C ATOM 591 CD LYS A 41 -1.919 18.817 15.026 1.00 0.00 C ATOM 592 CE LYS A 41 -2.685 18.294 16.210 1.00 0.00 C ATOM 593 NZ LYS A 41 -4.140 18.492 16.029 1.00 0.00 N ATOM 0 H LYS A 41 1.984 17.432 13.311 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.847 17.860 12.775 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.319 19.403 14.208 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.156 20.206 13.707 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.130 17.713 15.433 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.132 19.339 16.085 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.205 19.853 14.841 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.194 18.247 14.139 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.473 17.234 16.346 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.355 18.803 17.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.646 18.123 16.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.342 19.507 15.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.456 17.986 15.177 1.00 0.00 H new ATOM 607 N ASP A 42 1.542 19.235 11.044 1.00 0.00 N ATOM 608 CA ASP A 42 1.794 20.014 9.830 1.00 0.00 C ATOM 609 C ASP A 42 1.437 19.246 8.589 1.00 0.00 C ATOM 610 O ASP A 42 0.473 19.582 7.906 1.00 0.00 O ATOM 611 CB ASP A 42 3.250 20.499 9.715 1.00 0.00 C ATOM 612 CG ASP A 42 3.663 21.444 10.817 1.00 0.00 C ATOM 613 OD1 ASP A 42 3.483 22.676 10.674 1.00 0.00 O ATOM 614 OD2 ASP A 42 4.178 20.980 11.843 1.00 0.00 O ATOM 0 H ASP A 42 2.378 18.872 11.502 1.00 0.00 H new ATOM 0 HA ASP A 42 1.149 20.889 9.916 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.913 19.634 9.722 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.384 20.995 8.754 1.00 0.00 H new ATOM 619 N LYS A 43 2.229 18.198 8.293 1.00 0.00 N ATOM 620 CA LYS A 43 2.075 17.408 7.058 1.00 0.00 C ATOM 621 C LYS A 43 2.331 18.253 5.837 1.00 0.00 C ATOM 622 O LYS A 43 1.903 17.937 4.724 1.00 0.00 O ATOM 623 CB LYS A 43 0.735 16.712 6.961 1.00 0.00 C ATOM 624 CG LYS A 43 0.661 15.430 7.743 1.00 0.00 C ATOM 625 CD LYS A 43 -0.658 14.725 7.505 1.00 0.00 C ATOM 626 CE LYS A 43 -1.798 15.372 8.256 1.00 0.00 C ATOM 627 NZ LYS A 43 -1.654 15.198 9.713 1.00 0.00 N ATOM 0 H LYS A 43 2.986 17.878 8.897 1.00 0.00 H new ATOM 0 HA LYS A 43 2.829 16.622 7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.042 17.389 7.316 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.520 16.501 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.484 14.776 7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.778 15.641 8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.881 14.727 6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.570 13.682 7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.835 16.435 8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.743 14.939 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.371 14.527 10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.705 14.829 9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.783 16.115 10.187 1.00 0.00 H new ATOM 641 N ALA A 44 3.113 19.278 6.038 1.00 0.00 N ATOM 642 CA ALA A 44 3.519 20.167 4.979 1.00 0.00 C ATOM 643 C ALA A 44 4.781 19.622 4.330 1.00 0.00 C ATOM 644 O ALA A 44 5.508 20.333 3.630 1.00 0.00 O ATOM 645 CB ALA A 44 3.737 21.567 5.520 1.00 0.00 C ATOM 0 H ALA A 44 3.492 19.524 6.952 1.00 0.00 H new ATOM 0 HA ALA A 44 2.734 20.226 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.043 22.227 4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.810 21.936 5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.515 21.545 6.283 1.00 0.00 H new ATOM 651 N GLU A 45 5.022 18.339 4.579 1.00 0.00 N ATOM 652 CA GLU A 45 6.109 17.576 3.996 1.00 0.00 C ATOM 653 C GLU A 45 5.853 17.310 2.523 1.00 0.00 C ATOM 654 O GLU A 45 5.494 16.203 2.115 1.00 0.00 O ATOM 655 CB GLU A 45 6.307 16.267 4.747 1.00 0.00 C ATOM 656 CG GLU A 45 6.759 16.456 6.171 1.00 0.00 C ATOM 657 CD GLU A 45 8.067 17.186 6.228 1.00 0.00 C ATOM 658 OE1 GLU A 45 9.104 16.572 5.940 1.00 0.00 O ATOM 659 OE2 GLU A 45 8.077 18.394 6.545 1.00 0.00 O ATOM 0 H GLU A 45 4.444 17.788 5.214 1.00 0.00 H new ATOM 0 HA GLU A 45 7.022 18.166 4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.371 15.709 4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.042 15.661 4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.003 17.013 6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.859 15.485 6.656 1.00 0.00 H new ATOM 666 N GLU A 46 5.932 18.361 1.785 1.00 0.00 N ATOM 667 CA GLU A 46 5.760 18.396 0.367 1.00 0.00 C ATOM 668 C GLU A 46 6.815 19.336 -0.181 1.00 0.00 C ATOM 669 O GLU A 46 6.715 19.833 -1.293 1.00 0.00 O ATOM 670 CB GLU A 46 4.361 18.941 0.079 1.00 0.00 C ATOM 671 CG GLU A 46 4.098 20.289 0.751 1.00 0.00 C ATOM 672 CD GLU A 46 2.726 20.823 0.510 1.00 0.00 C ATOM 673 OE1 GLU A 46 1.761 20.317 1.120 1.00 0.00 O ATOM 674 OE2 GLU A 46 2.586 21.796 -0.260 1.00 0.00 O ATOM 0 H GLU A 46 6.131 19.281 2.177 1.00 0.00 H new ATOM 0 HA GLU A 46 5.862 17.412 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.232 19.046 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.618 18.220 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.255 20.186 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.828 21.013 0.390 1.00 0.00 H new ATOM 681 N GLU A 47 7.845 19.543 0.617 1.00 0.00 N ATOM 682 CA GLU A 47 8.906 20.483 0.338 1.00 0.00 C ATOM 683 C GLU A 47 9.643 20.123 -0.940 1.00 0.00 C ATOM 684 O GLU A 47 9.685 20.914 -1.887 1.00 0.00 O ATOM 685 CB GLU A 47 9.867 20.527 1.523 1.00 0.00 C ATOM 686 CG GLU A 47 11.094 21.368 1.299 1.00 0.00 C ATOM 687 CD GLU A 47 12.032 21.334 2.465 1.00 0.00 C ATOM 688 OE1 GLU A 47 12.744 20.331 2.639 1.00 0.00 O ATOM 689 OE2 GLU A 47 12.072 22.317 3.240 1.00 0.00 O ATOM 0 H GLU A 47 7.967 19.047 1.500 1.00 0.00 H new ATOM 0 HA GLU A 47 8.469 21.470 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.334 20.909 2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.178 19.510 1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.614 21.016 0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.794 22.398 1.107 1.00 0.00 H new ATOM 696 N THR A 48 10.168 18.923 -0.991 1.00 0.00 N ATOM 697 CA THR A 48 10.938 18.503 -2.135 1.00 0.00 C ATOM 698 C THR A 48 9.995 18.011 -3.253 1.00 0.00 C ATOM 699 O THR A 48 10.430 17.763 -4.390 1.00 0.00 O ATOM 700 CB THR A 48 11.974 17.398 -1.736 1.00 0.00 C ATOM 701 OG1 THR A 48 12.934 17.207 -2.775 1.00 0.00 O ATOM 702 CG2 THR A 48 11.288 16.070 -1.449 1.00 0.00 C ATOM 0 H THR A 48 10.076 18.222 -0.256 1.00 0.00 H new ATOM 0 HA THR A 48 11.501 19.356 -2.512 1.00 0.00 H new ATOM 0 HB THR A 48 12.475 17.741 -0.831 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.495 17.294 -3.647 1.00 0.00 H new ATOM 0 HG21 THR A 48 12.036 15.326 -1.175 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.583 16.195 -0.627 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.753 15.737 -2.339 1.00 0.00 H new ATOM 710 N GLU A 49 8.695 17.933 -2.914 1.00 0.00 N ATOM 711 CA GLU A 49 7.646 17.450 -3.795 1.00 0.00 C ATOM 712 C GLU A 49 7.977 16.074 -4.302 1.00 0.00 C ATOM 713 O GLU A 49 8.332 15.869 -5.469 1.00 0.00 O ATOM 714 CB GLU A 49 7.340 18.422 -4.926 1.00 0.00 C ATOM 715 CG GLU A 49 6.835 19.761 -4.431 1.00 0.00 C ATOM 716 CD GLU A 49 6.562 20.725 -5.537 1.00 0.00 C ATOM 717 OE1 GLU A 49 7.487 21.471 -5.920 1.00 0.00 O ATOM 718 OE2 GLU A 49 5.421 20.765 -6.040 1.00 0.00 O ATOM 0 H GLU A 49 8.350 18.213 -1.996 1.00 0.00 H new ATOM 0 HA GLU A 49 6.729 17.381 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.241 18.576 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.594 17.980 -5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.922 19.609 -3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.571 20.193 -3.753 1.00 0.00 H new ATOM 725 N GLU A 50 7.963 15.167 -3.398 1.00 0.00 N ATOM 726 CA GLU A 50 8.262 13.815 -3.668 1.00 0.00 C ATOM 727 C GLU A 50 6.991 13.056 -3.951 1.00 0.00 C ATOM 728 O GLU A 50 5.966 13.262 -3.291 1.00 0.00 O ATOM 729 CB GLU A 50 9.041 13.147 -2.496 1.00 0.00 C ATOM 730 CG GLU A 50 8.310 13.089 -1.132 1.00 0.00 C ATOM 731 CD GLU A 50 8.224 14.417 -0.380 1.00 0.00 C ATOM 732 OE1 GLU A 50 7.502 15.331 -0.818 1.00 0.00 O ATOM 733 OE2 GLU A 50 8.883 14.548 0.680 1.00 0.00 O ATOM 0 H GLU A 50 7.736 15.352 -2.421 1.00 0.00 H new ATOM 0 HA GLU A 50 8.907 13.785 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.296 12.129 -2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.980 13.684 -2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.299 12.717 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.818 12.363 -0.497 1.00 0.00 H new ATOM 740 N LYS A 51 7.039 12.234 -4.947 1.00 0.00 N ATOM 741 CA LYS A 51 5.972 11.354 -5.257 1.00 0.00 C ATOM 742 C LYS A 51 6.517 9.961 -5.051 1.00 0.00 C ATOM 743 O LYS A 51 7.085 9.360 -5.964 1.00 0.00 O ATOM 744 CB LYS A 51 5.446 11.529 -6.700 1.00 0.00 C ATOM 745 CG LYS A 51 5.057 12.962 -7.070 1.00 0.00 C ATOM 746 CD LYS A 51 6.234 13.790 -7.602 1.00 0.00 C ATOM 747 CE LYS A 51 6.717 13.273 -8.957 1.00 0.00 C ATOM 748 NZ LYS A 51 7.829 14.076 -9.502 1.00 0.00 N ATOM 0 H LYS A 51 7.838 12.157 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 51 5.115 11.563 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.211 11.184 -7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.577 10.885 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.270 12.935 -7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.641 13.457 -6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.933 14.833 -7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.055 13.759 -6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.038 12.236 -8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.887 13.281 -9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.121 13.686 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.518 15.060 -9.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.633 14.048 -8.843 1.00 0.00 H new ATOM 762 N PRO A 52 6.448 9.467 -3.820 1.00 0.00 N ATOM 763 CA PRO A 52 7.029 8.192 -3.458 1.00 0.00 C ATOM 764 C PRO A 52 6.261 7.031 -4.058 1.00 0.00 C ATOM 765 O PRO A 52 5.187 7.224 -4.658 1.00 0.00 O ATOM 766 CB PRO A 52 6.914 8.198 -1.931 1.00 0.00 C ATOM 767 CG PRO A 52 5.711 9.009 -1.661 1.00 0.00 C ATOM 768 CD PRO A 52 5.755 10.098 -2.671 1.00 0.00 C ATOM 0 HA PRO A 52 8.049 8.069 -3.822 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.810 7.188 -1.536 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.799 8.632 -1.467 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.803 8.415 -1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.722 9.409 -0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.755 10.437 -2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.298 10.968 -2.302 1.00 0.00 H new ATOM 776 N SER A 53 6.803 5.845 -3.934 1.00 0.00 N ATOM 777 CA SER A 53 6.136 4.704 -4.397 1.00 0.00 C ATOM 778 C SER A 53 4.949 4.456 -3.494 1.00 0.00 C ATOM 779 O SER A 53 4.998 4.755 -2.296 1.00 0.00 O ATOM 780 CB SER A 53 7.099 3.513 -4.442 1.00 0.00 C ATOM 781 OG SER A 53 7.772 3.315 -3.196 1.00 0.00 O ATOM 0 H SER A 53 7.713 5.668 -3.509 1.00 0.00 H new ATOM 0 HA SER A 53 5.774 4.847 -5.415 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.546 2.610 -4.702 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.836 3.673 -5.229 1.00 0.00 H new ATOM 0 HG SER A 53 8.451 4.011 -3.077 1.00 0.00 H new ATOM 787 N VAL A 54 3.885 4.009 -4.047 1.00 0.00 N ATOM 788 CA VAL A 54 2.721 3.767 -3.260 1.00 0.00 C ATOM 789 C VAL A 54 2.368 2.322 -3.347 1.00 0.00 C ATOM 790 O VAL A 54 2.141 1.781 -4.430 1.00 0.00 O ATOM 791 CB VAL A 54 1.535 4.681 -3.640 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.352 4.394 -2.746 1.00 0.00 C ATOM 793 CG2 VAL A 54 1.932 6.143 -3.494 1.00 0.00 C ATOM 0 H VAL A 54 3.788 3.801 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 54 2.949 4.019 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 54 1.263 4.482 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.479 5.044 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.052 3.352 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.627 4.579 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.088 6.778 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.218 6.341 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.774 6.359 -4.152 1.00 0.00 H new ATOM 803 N TRP A 55 2.402 1.701 -2.234 1.00 0.00 N ATOM 804 CA TRP A 55 2.158 0.319 -2.133 1.00 0.00 C ATOM 805 C TRP A 55 0.814 0.097 -1.489 1.00 0.00 C ATOM 806 O TRP A 55 0.485 0.698 -0.458 1.00 0.00 O ATOM 807 CB TRP A 55 3.298 -0.372 -1.367 1.00 0.00 C ATOM 808 CG TRP A 55 4.651 -0.200 -2.027 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.418 0.917 -2.009 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.393 -1.173 -2.788 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.573 0.719 -2.711 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.591 -0.554 -3.197 1.00 0.00 C ATOM 813 CE3 TRP A 55 5.165 -2.497 -3.164 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.553 -1.213 -3.957 1.00 0.00 C ATOM 815 CZ3 TRP A 55 6.120 -3.152 -3.920 1.00 0.00 C ATOM 816 CH2 TRP A 55 7.301 -2.509 -4.308 1.00 0.00 C ATOM 0 H TRP A 55 2.606 2.153 -1.343 1.00 0.00 H new ATOM 0 HA TRP A 55 2.131 -0.129 -3.126 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.342 0.029 -0.354 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.076 -1.436 -1.280 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.153 1.837 -1.509 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.306 1.414 -2.850 1.00 0.00 H new ATOM 0 HE3 TRP A 55 4.257 -3.002 -2.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.465 -0.718 -4.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.952 -4.177 -4.216 1.00 0.00 H new ATOM 0 HH2 TRP A 55 8.028 -3.048 -4.897 1.00 0.00 H new ATOM 827 N LEU A 56 0.030 -0.695 -2.135 1.00 0.00 N ATOM 828 CA LEU A 56 -1.277 -1.005 -1.666 1.00 0.00 C ATOM 829 C LEU A 56 -1.306 -2.382 -1.049 1.00 0.00 C ATOM 830 O LEU A 56 -0.910 -3.361 -1.682 1.00 0.00 O ATOM 831 CB LEU A 56 -2.300 -0.951 -2.777 1.00 0.00 C ATOM 832 CG LEU A 56 -3.692 -1.386 -2.344 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.546 -0.230 -1.895 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.344 -2.210 -3.388 1.00 0.00 C ATOM 0 H LEU A 56 0.280 -1.151 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.531 -0.254 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.350 0.067 -3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.968 -1.588 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.574 -2.019 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.528 -0.597 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.072 0.265 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.657 0.480 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.337 -2.506 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.431 -1.631 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.744 -3.101 -3.576 1.00 0.00 H new ATOM 846 N CYS A 57 -1.789 -2.442 0.160 1.00 0.00 N ATOM 847 CA CYS A 57 -1.953 -3.672 0.892 1.00 0.00 C ATOM 848 C CYS A 57 -3.033 -4.508 0.209 1.00 0.00 C ATOM 849 O CYS A 57 -4.212 -4.154 0.269 1.00 0.00 O ATOM 850 CB CYS A 57 -2.403 -3.315 2.309 1.00 0.00 C ATOM 851 SG CYS A 57 -2.352 -4.652 3.557 1.00 0.00 S ATOM 0 H CYS A 57 -2.088 -1.617 0.680 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.022 -4.238 0.922 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.780 -2.494 2.666 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.425 -2.940 2.256 1.00 0.00 H new ATOM 856 N LEU A 58 -2.644 -5.642 -0.387 1.00 0.00 N ATOM 857 CA LEU A 58 -3.553 -6.555 -1.116 1.00 0.00 C ATOM 858 C LEU A 58 -4.441 -7.281 -0.157 1.00 0.00 C ATOM 859 O LEU A 58 -5.326 -8.050 -0.521 1.00 0.00 O ATOM 860 CB LEU A 58 -2.680 -7.525 -1.869 1.00 0.00 C ATOM 861 CG LEU A 58 -2.061 -6.957 -3.123 1.00 0.00 C ATOM 862 CD1 LEU A 58 -0.760 -7.633 -3.428 1.00 0.00 C ATOM 863 CD2 LEU A 58 -3.007 -7.190 -4.268 1.00 0.00 C ATOM 0 H LEU A 58 -1.675 -5.962 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.199 -6.003 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.884 -7.868 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.274 -8.400 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.876 -5.893 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.333 -7.207 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.070 -7.485 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.930 -8.700 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.576 -6.786 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.176 -8.260 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.955 -6.693 -4.063 1.00 0.00 H new ATOM 875 N LYS A 59 -4.163 -7.034 1.053 1.00 0.00 N ATOM 876 CA LYS A 59 -4.852 -7.582 2.138 1.00 0.00 C ATOM 877 C LYS A 59 -6.015 -6.692 2.612 1.00 0.00 C ATOM 878 O LYS A 59 -7.088 -7.195 2.906 1.00 0.00 O ATOM 879 CB LYS A 59 -3.859 -7.859 3.263 1.00 0.00 C ATOM 880 CG LYS A 59 -4.494 -8.275 4.543 1.00 0.00 C ATOM 881 CD LYS A 59 -5.193 -9.602 4.401 1.00 0.00 C ATOM 882 CE LYS A 59 -5.502 -10.213 5.739 1.00 0.00 C ATOM 883 NZ LYS A 59 -6.062 -11.555 5.574 1.00 0.00 N ATOM 0 H LYS A 59 -3.406 -6.409 1.329 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.312 -8.517 1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.170 -8.639 2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.265 -6.962 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.735 -8.343 5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.210 -7.516 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.118 -9.468 3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.567 -10.284 3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.594 -10.263 6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.208 -9.582 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.285 -11.955 6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.930 -11.501 5.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.369 -12.164 5.093 1.00 0.00 H new ATOM 897 N CYS A 60 -5.809 -5.385 2.705 1.00 0.00 N ATOM 898 CA CYS A 60 -6.889 -4.546 3.250 1.00 0.00 C ATOM 899 C CYS A 60 -7.183 -3.284 2.459 1.00 0.00 C ATOM 900 O CYS A 60 -8.067 -2.530 2.836 1.00 0.00 O ATOM 901 CB CYS A 60 -6.593 -4.167 4.684 1.00 0.00 C ATOM 902 SG CYS A 60 -5.288 -2.925 4.845 1.00 0.00 S ATOM 0 H CYS A 60 -4.957 -4.896 2.430 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.782 -5.167 3.181 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.504 -3.788 5.147 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.303 -5.061 5.236 1.00 0.00 H new ATOM 907 N GLY A 61 -6.444 -3.024 1.432 1.00 0.00 N ATOM 908 CA GLY A 61 -6.691 -1.823 0.662 1.00 0.00 C ATOM 909 C GLY A 61 -6.021 -0.586 1.261 1.00 0.00 C ATOM 910 O GLY A 61 -6.354 0.543 0.908 1.00 0.00 O ATOM 0 H GLY A 61 -5.675 -3.607 1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.330 -1.969 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.766 -1.653 0.598 1.00 0.00 H new ATOM 914 N HIS A 62 -5.116 -0.811 2.199 1.00 0.00 N ATOM 915 CA HIS A 62 -4.279 0.250 2.760 1.00 0.00 C ATOM 916 C HIS A 62 -3.383 0.813 1.687 1.00 0.00 C ATOM 917 O HIS A 62 -2.752 0.063 0.948 1.00 0.00 O ATOM 918 CB HIS A 62 -3.426 -0.292 3.955 1.00 0.00 C ATOM 919 CG HIS A 62 -2.097 0.423 4.216 1.00 0.00 C ATOM 920 ND1 HIS A 62 -1.904 1.430 5.130 1.00 0.00 N ATOM 921 CD2 HIS A 62 -0.881 0.228 3.624 1.00 0.00 C ATOM 922 CE1 HIS A 62 -0.618 1.806 5.051 1.00 0.00 C ATOM 923 NE2 HIS A 62 0.036 1.106 4.157 1.00 0.00 N ATOM 0 H HIS A 62 -4.937 -1.733 2.597 1.00 0.00 H new ATOM 0 HA HIS A 62 -4.924 1.043 3.137 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.030 -0.234 4.861 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.218 -1.347 3.777 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.609 1.821 5.755 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.671 -0.502 2.856 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.177 2.589 5.650 1.00 0.00 H new ATOM 931 N GLN A 63 -3.341 2.111 1.613 1.00 0.00 N ATOM 932 CA GLN A 63 -2.451 2.755 0.717 1.00 0.00 C ATOM 933 C GLN A 63 -1.328 3.389 1.539 1.00 0.00 C ATOM 934 O GLN A 63 -1.583 4.241 2.411 1.00 0.00 O ATOM 935 CB GLN A 63 -3.146 3.824 -0.079 1.00 0.00 C ATOM 936 CG GLN A 63 -2.667 3.867 -1.486 1.00 0.00 C ATOM 937 CD GLN A 63 -3.502 3.040 -2.373 1.00 0.00 C ATOM 938 OE1 GLN A 63 -3.010 2.415 -3.254 1.00 0.00 O ATOM 939 NE2 GLN A 63 -4.765 3.178 -2.271 1.00 0.00 N ATOM 0 H GLN A 63 -3.920 2.740 2.170 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.061 2.018 0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.221 3.645 -0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.979 4.793 0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.671 4.898 -1.840 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.635 3.519 -1.530 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.158 3.721 -1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.382 2.745 -2.958 1.00 0.00 H new ATOM 948 N GLY A 64 -0.147 2.957 1.298 1.00 0.00 N ATOM 949 CA GLY A 64 0.994 3.400 1.996 1.00 0.00 C ATOM 950 C GLY A 64 2.095 3.777 1.079 1.00 0.00 C ATOM 951 O GLY A 64 2.150 3.341 -0.055 1.00 0.00 O ATOM 0 H GLY A 64 0.056 2.259 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.730 4.257 2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.336 2.613 2.668 1.00 0.00 H new ATOM 955 N CYS A 65 2.949 4.608 1.560 1.00 0.00 N ATOM 956 CA CYS A 65 4.032 5.082 0.794 1.00 0.00 C ATOM 957 C CYS A 65 5.244 4.184 1.055 1.00 0.00 C ATOM 958 O CYS A 65 5.461 3.735 2.202 1.00 0.00 O ATOM 959 CB CYS A 65 4.257 6.573 1.082 1.00 0.00 C ATOM 960 SG CYS A 65 4.494 6.976 2.823 1.00 0.00 S ATOM 0 H CYS A 65 2.910 4.979 2.509 1.00 0.00 H new ATOM 0 HA CYS A 65 3.831 5.025 -0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.130 6.909 0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.402 7.135 0.706 1.00 0.00 H new ATOM 965 N GLY A 66 5.967 3.891 -0.003 1.00 0.00 N ATOM 966 CA GLY A 66 7.026 2.919 0.010 1.00 0.00 C ATOM 967 C GLY A 66 8.322 3.344 0.627 1.00 0.00 C ATOM 968 O GLY A 66 8.366 4.189 1.499 1.00 0.00 O ATOM 0 H GLY A 66 5.829 4.333 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.670 2.036 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.222 2.616 -1.018 1.00 0.00 H new ATOM 972 N ARG A 67 9.392 2.779 0.116 1.00 0.00 N ATOM 973 CA ARG A 67 10.704 2.891 0.735 1.00 0.00 C ATOM 974 C ARG A 67 11.375 4.234 0.480 1.00 0.00 C ATOM 975 O ARG A 67 12.240 4.661 1.241 1.00 0.00 O ATOM 976 CB ARG A 67 11.592 1.724 0.303 1.00 0.00 C ATOM 977 CG ARG A 67 12.031 1.830 -1.121 1.00 0.00 C ATOM 978 CD ARG A 67 12.599 0.531 -1.684 1.00 0.00 C ATOM 979 NE ARG A 67 13.828 0.096 -1.018 1.00 0.00 N ATOM 980 CZ ARG A 67 14.541 -0.990 -1.368 1.00 0.00 C ATOM 981 NH1 ARG A 67 14.129 -1.775 -2.367 1.00 0.00 N ATOM 982 NH2 ARG A 67 15.655 -1.282 -0.724 1.00 0.00 N ATOM 0 H ARG A 67 9.383 2.227 -0.742 1.00 0.00 H new ATOM 0 HA ARG A 67 10.556 2.840 1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.470 1.683 0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.050 0.789 0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.183 2.141 -1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.786 2.612 -1.202 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.848 -0.254 -1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.798 0.661 -2.748 1.00 0.00 H new ATOM 0 HE ARG A 67 14.167 0.655 -0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.270 -1.553 -2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.674 -2.597 -2.628 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.975 -0.685 0.038 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.196 -2.105 -0.989 1.00 0.00 H new ATOM 996 N ASN A 68 10.936 4.910 -0.543 1.00 0.00 N ATOM 997 CA ASN A 68 11.515 6.186 -0.905 1.00 0.00 C ATOM 998 C ASN A 68 10.787 7.336 -0.271 1.00 0.00 C ATOM 999 O ASN A 68 10.959 8.500 -0.650 1.00 0.00 O ATOM 1000 CB ASN A 68 11.589 6.388 -2.397 1.00 0.00 C ATOM 1001 CG ASN A 68 10.275 6.260 -3.156 1.00 0.00 C ATOM 1002 OD1 ASN A 68 9.361 5.540 -2.757 1.00 0.00 O ATOM 1003 ND2 ASN A 68 10.173 6.957 -4.255 1.00 0.00 N ATOM 0 H ASN A 68 10.175 4.602 -1.148 1.00 0.00 H new ATOM 0 HA ASN A 68 12.534 6.164 -0.518 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.001 7.379 -2.589 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.294 5.665 -2.807 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.318 6.914 -4.809 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.949 7.545 -4.560 1.00 0.00 H new ATOM 1010 N SER A 69 9.993 7.018 0.672 1.00 0.00 N ATOM 1011 CA SER A 69 9.312 7.998 1.428 1.00 0.00 C ATOM 1012 C SER A 69 10.046 8.124 2.759 1.00 0.00 C ATOM 1013 O SER A 69 10.831 7.234 3.121 1.00 0.00 O ATOM 1014 CB SER A 69 7.856 7.602 1.661 1.00 0.00 C ATOM 1015 OG SER A 69 7.738 6.488 2.528 1.00 0.00 O ATOM 0 H SER A 69 9.792 6.057 0.948 1.00 0.00 H new ATOM 0 HA SER A 69 9.301 8.948 0.893 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.314 8.448 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.387 7.368 0.705 1.00 0.00 H new ATOM 0 HG SER A 69 7.646 5.669 1.998 1.00 0.00 H new ATOM 1021 N GLN A 70 9.812 9.184 3.481 1.00 0.00 N ATOM 1022 CA GLN A 70 10.473 9.369 4.748 1.00 0.00 C ATOM 1023 C GLN A 70 9.886 8.510 5.854 1.00 0.00 C ATOM 1024 O GLN A 70 10.614 8.003 6.713 1.00 0.00 O ATOM 1025 CB GLN A 70 10.522 10.832 5.136 1.00 0.00 C ATOM 1026 CG GLN A 70 9.201 11.580 5.145 1.00 0.00 C ATOM 1027 CD GLN A 70 9.386 13.009 5.609 1.00 0.00 C ATOM 1028 OE1 GLN A 70 10.240 13.300 6.441 1.00 0.00 O ATOM 1029 NE2 GLN A 70 8.651 13.912 5.048 1.00 0.00 N ATOM 0 H GLN A 70 9.171 9.932 3.217 1.00 0.00 H new ATOM 0 HA GLN A 70 11.499 9.026 4.615 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.961 10.906 6.131 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.198 11.343 4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.769 11.573 4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.495 11.070 5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.948 13.642 4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.774 14.894 5.294 1.00 0.00 H new ATOM 1038 N GLU A 71 8.596 8.318 5.815 1.00 0.00 N ATOM 1039 CA GLU A 71 7.928 7.535 6.845 1.00 0.00 C ATOM 1040 C GLU A 71 7.938 6.070 6.559 1.00 0.00 C ATOM 1041 O GLU A 71 8.045 5.273 7.482 1.00 0.00 O ATOM 1042 CB GLU A 71 6.495 7.970 7.019 1.00 0.00 C ATOM 1043 CG GLU A 71 6.302 9.146 7.927 1.00 0.00 C ATOM 1044 CD GLU A 71 6.748 8.826 9.334 1.00 0.00 C ATOM 1045 OE1 GLU A 71 6.199 7.879 9.953 1.00 0.00 O ATOM 1046 OE2 GLU A 71 7.645 9.506 9.846 1.00 0.00 O ATOM 0 H GLU A 71 7.980 8.686 5.090 1.00 0.00 H new ATOM 0 HA GLU A 71 8.494 7.716 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.082 8.213 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.920 7.130 7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.866 9.998 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.251 9.437 7.932 1.00 0.00 H new ATOM 1053 N GLN A 72 7.845 5.717 5.284 1.00 0.00 N ATOM 1054 CA GLN A 72 7.761 4.321 4.869 1.00 0.00 C ATOM 1055 C GLN A 72 6.567 3.644 5.552 1.00 0.00 C ATOM 1056 O GLN A 72 6.693 2.600 6.188 1.00 0.00 O ATOM 1057 CB GLN A 72 9.104 3.592 5.111 1.00 0.00 C ATOM 1058 CG GLN A 72 10.174 4.104 4.206 1.00 0.00 C ATOM 1059 CD GLN A 72 11.458 3.427 4.353 1.00 0.00 C ATOM 1060 OE1 GLN A 72 12.322 3.857 5.119 1.00 0.00 O ATOM 1061 NE2 GLN A 72 11.585 2.340 3.719 1.00 0.00 N ATOM 0 H GLN A 72 7.826 6.384 4.512 1.00 0.00 H new ATOM 0 HA GLN A 72 7.583 4.267 3.795 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.409 3.725 6.149 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.972 2.522 4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.839 4.004 3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.314 5.169 4.394 1.00 0.00 H new ATOM 0 HE21 GLN A 72 10.843 2.024 3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.430 1.780 3.831 1.00 0.00 H new ATOM 1070 N HIS A 73 5.391 4.283 5.404 1.00 0.00 N ATOM 1071 CA HIS A 73 4.180 3.880 6.027 1.00 0.00 C ATOM 1072 C HIS A 73 3.773 2.447 5.687 1.00 0.00 C ATOM 1073 O HIS A 73 3.241 1.761 6.527 1.00 0.00 O ATOM 1074 CB HIS A 73 3.083 4.866 5.675 1.00 0.00 C ATOM 1075 CG HIS A 73 3.073 6.184 6.446 1.00 0.00 C ATOM 1076 ND1 HIS A 73 2.757 7.362 5.821 1.00 0.00 N ATOM 1077 CD2 HIS A 73 3.223 6.431 7.775 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.701 8.274 6.730 1.00 0.00 C ATOM 1079 NE2 HIS A 73 2.981 7.775 7.950 1.00 0.00 N ATOM 0 H HIS A 73 5.287 5.115 4.824 1.00 0.00 H new ATOM 0 HA HIS A 73 4.345 3.885 7.104 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.159 5.094 4.612 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.122 4.375 5.828 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.481 5.715 8.541 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.460 9.309 6.538 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.008 8.291 8.829 1.00 0.00 H new ATOM 1087 N ALA A 74 4.057 2.007 4.466 1.00 0.00 N ATOM 1088 CA ALA A 74 3.750 0.624 4.053 1.00 0.00 C ATOM 1089 C ALA A 74 4.594 -0.367 4.870 1.00 0.00 C ATOM 1090 O ALA A 74 4.108 -1.409 5.345 1.00 0.00 O ATOM 1091 CB ALA A 74 4.016 0.452 2.561 1.00 0.00 C ATOM 0 H ALA A 74 4.496 2.576 3.742 1.00 0.00 H new ATOM 0 HA ALA A 74 2.696 0.421 4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.786 -0.572 2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.387 1.141 1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.065 0.663 2.352 1.00 0.00 H new ATOM 1097 N LEU A 75 5.823 0.026 5.122 1.00 0.00 N ATOM 1098 CA LEU A 75 6.767 -0.784 5.870 1.00 0.00 C ATOM 1099 C LEU A 75 6.295 -0.845 7.317 1.00 0.00 C ATOM 1100 O LEU A 75 6.222 -1.921 7.921 1.00 0.00 O ATOM 1101 CB LEU A 75 8.204 -0.203 5.785 1.00 0.00 C ATOM 1102 CG LEU A 75 8.964 -0.272 4.422 1.00 0.00 C ATOM 1103 CD1 LEU A 75 9.222 -1.699 4.020 1.00 0.00 C ATOM 1104 CD2 LEU A 75 8.242 0.466 3.292 1.00 0.00 C ATOM 0 H LEU A 75 6.201 0.922 4.813 1.00 0.00 H new ATOM 0 HA LEU A 75 6.806 -1.786 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.155 0.844 6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.813 -0.717 6.529 1.00 0.00 H new ATOM 0 HG LEU A 75 9.914 0.238 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.752 -1.719 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.828 -2.188 4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.273 -2.225 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.821 0.380 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.256 0.026 3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.134 1.518 3.556 1.00 0.00 H new ATOM 1116 N LYS A 76 5.968 0.316 7.875 1.00 0.00 N ATOM 1117 CA LYS A 76 5.379 0.410 9.206 1.00 0.00 C ATOM 1118 C LYS A 76 4.095 -0.394 9.307 1.00 0.00 C ATOM 1119 O LYS A 76 3.823 -0.986 10.331 1.00 0.00 O ATOM 1120 CB LYS A 76 5.057 1.853 9.523 1.00 0.00 C ATOM 1121 CG LYS A 76 6.236 2.785 9.417 1.00 0.00 C ATOM 1122 CD LYS A 76 5.808 4.221 9.594 1.00 0.00 C ATOM 1123 CE LYS A 76 5.331 4.507 11.008 1.00 0.00 C ATOM 1124 NZ LYS A 76 4.821 5.881 11.142 1.00 0.00 N ATOM 0 H LYS A 76 6.104 1.218 7.418 1.00 0.00 H new ATOM 0 HA LYS A 76 6.106 0.010 9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.274 2.196 8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.652 1.910 10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.977 2.527 10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.715 2.662 8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.643 4.879 9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.008 4.450 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.547 3.800 11.278 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.153 4.354 11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.616 6.079 12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.536 6.552 10.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.950 5.984 10.583 1.00 0.00 H new ATOM 1138 N HIS A 77 3.329 -0.433 8.235 1.00 0.00 N ATOM 1139 CA HIS A 77 2.051 -1.143 8.214 1.00 0.00 C ATOM 1140 C HIS A 77 2.305 -2.637 8.315 1.00 0.00 C ATOM 1141 O HIS A 77 1.536 -3.377 8.940 1.00 0.00 O ATOM 1142 CB HIS A 77 1.250 -0.778 6.968 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.137 -1.349 6.898 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.199 -0.835 7.596 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.634 -2.382 6.160 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.287 -1.539 7.274 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -2.002 -2.495 6.403 1.00 0.00 N ATOM 0 H HIS A 77 3.567 0.022 7.354 1.00 0.00 H new ATOM 0 HA HIS A 77 1.449 -0.841 9.071 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.180 0.308 6.908 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.805 -1.110 6.091 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.164 -0.051 8.248 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.061 -3.011 5.495 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.273 -1.353 7.673 1.00 0.00 H new ATOM 1155 N TYR A 78 3.389 -3.067 7.719 1.00 0.00 N ATOM 1156 CA TYR A 78 3.825 -4.428 7.861 1.00 0.00 C ATOM 1157 C TYR A 78 4.306 -4.689 9.269 1.00 0.00 C ATOM 1158 O TYR A 78 4.024 -5.749 9.845 1.00 0.00 O ATOM 1159 CB TYR A 78 4.914 -4.755 6.863 1.00 0.00 C ATOM 1160 CG TYR A 78 5.620 -6.084 7.114 1.00 0.00 C ATOM 1161 CD1 TYR A 78 4.912 -7.287 7.171 1.00 0.00 C ATOM 1162 CD2 TYR A 78 6.993 -6.124 7.323 1.00 0.00 C ATOM 1163 CE1 TYR A 78 5.560 -8.483 7.423 1.00 0.00 C ATOM 1164 CE2 TYR A 78 7.644 -7.313 7.576 1.00 0.00 C ATOM 1165 CZ TYR A 78 6.927 -8.490 7.624 1.00 0.00 C ATOM 1166 OH TYR A 78 7.577 -9.675 7.886 1.00 0.00 O ATOM 0 H TYR A 78 3.986 -2.488 7.128 1.00 0.00 H new ATOM 0 HA TYR A 78 2.972 -5.076 7.660 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.481 -4.771 5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.655 -3.956 6.877 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.843 -7.283 7.016 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.561 -5.206 7.287 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.001 -9.406 7.462 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.712 -7.322 7.736 1.00 0.00 H new ATOM 0 HH TYR A 78 8.535 -9.504 8.001 1.00 0.00 H new ATOM 1176 N LEU A 79 5.006 -3.721 9.847 1.00 0.00 N ATOM 1177 CA LEU A 79 5.547 -3.869 11.188 1.00 0.00 C ATOM 1178 C LEU A 79 4.468 -3.677 12.227 1.00 0.00 C ATOM 1179 O LEU A 79 4.685 -3.920 13.418 1.00 0.00 O ATOM 1180 CB LEU A 79 6.685 -2.876 11.429 1.00 0.00 C ATOM 1181 CG LEU A 79 7.850 -2.954 10.451 1.00 0.00 C ATOM 1182 CD1 LEU A 79 8.950 -1.983 10.837 1.00 0.00 C ATOM 1183 CD2 LEU A 79 8.371 -4.371 10.367 1.00 0.00 C ATOM 0 H LEU A 79 5.211 -2.825 9.406 1.00 0.00 H new ATOM 0 HA LEU A 79 5.942 -4.881 11.277 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.275 -1.867 11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.070 -3.031 12.437 1.00 0.00 H new ATOM 0 HG LEU A 79 7.492 -2.665 9.463 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.770 -2.059 10.122 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.557 -0.966 10.831 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.315 -2.225 11.835 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.203 -4.412 9.664 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.711 -4.693 11.351 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.575 -5.032 10.025 1.00 0.00 H new ATOM 1195 N THR A 80 3.319 -3.252 11.772 1.00 0.00 N ATOM 1196 CA THR A 80 2.174 -3.060 12.643 1.00 0.00 C ATOM 1197 C THR A 80 1.727 -4.442 13.180 1.00 0.00 C ATOM 1198 O THR A 80 1.720 -5.402 12.426 1.00 0.00 O ATOM 1199 CB THR A 80 1.021 -2.356 11.859 1.00 0.00 C ATOM 1200 OG1 THR A 80 1.439 -1.029 11.470 1.00 0.00 O ATOM 1201 CG2 THR A 80 -0.258 -2.261 12.671 1.00 0.00 C ATOM 0 H THR A 80 3.144 -3.028 10.792 1.00 0.00 H new ATOM 0 HA THR A 80 2.439 -2.420 13.485 1.00 0.00 H new ATOM 0 HB THR A 80 0.809 -2.964 10.979 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.409 -1.020 11.329 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.028 -1.764 12.081 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.595 -3.263 12.937 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.071 -1.688 13.579 1.00 0.00 H new ATOM 1209 N PRO A 81 1.423 -4.579 14.489 1.00 0.00 N ATOM 1210 CA PRO A 81 1.012 -5.857 15.072 1.00 0.00 C ATOM 1211 C PRO A 81 -0.384 -6.282 14.661 1.00 0.00 C ATOM 1212 O PRO A 81 -1.380 -6.099 15.370 1.00 0.00 O ATOM 1213 CB PRO A 81 1.102 -5.648 16.554 1.00 0.00 C ATOM 1214 CG PRO A 81 0.926 -4.188 16.730 1.00 0.00 C ATOM 1215 CD PRO A 81 1.482 -3.521 15.502 1.00 0.00 C ATOM 0 HA PRO A 81 1.652 -6.666 14.720 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.330 -6.208 17.082 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.063 -5.983 16.945 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.128 -3.940 16.858 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.446 -3.843 17.624 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.890 -2.653 15.212 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.502 -3.172 15.661 1.00 0.00 H new ATOM 1223 N ARG A 82 -0.426 -6.744 13.497 1.00 0.00 N ATOM 1224 CA ARG A 82 -1.613 -7.274 12.855 1.00 0.00 C ATOM 1225 C ARG A 82 -1.829 -8.749 13.165 1.00 0.00 C ATOM 1226 O ARG A 82 -0.871 -9.477 13.426 1.00 0.00 O ATOM 1227 CB ARG A 82 -1.613 -6.984 11.330 1.00 0.00 C ATOM 1228 CG ARG A 82 -0.231 -6.872 10.617 1.00 0.00 C ATOM 1229 CD ARG A 82 0.613 -8.167 10.520 1.00 0.00 C ATOM 1230 NE ARG A 82 1.129 -8.668 11.808 1.00 0.00 N ATOM 1231 CZ ARG A 82 2.413 -8.600 12.224 1.00 0.00 C ATOM 1232 NH1 ARG A 82 3.315 -7.892 11.548 1.00 0.00 N ATOM 1233 NH2 ARG A 82 2.770 -9.206 13.342 1.00 0.00 N ATOM 0 H ARG A 82 0.398 -6.782 12.897 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.468 -6.748 13.279 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.182 -7.773 10.838 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.153 -6.051 11.165 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.400 -6.500 9.606 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.360 -6.120 11.139 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.005 -8.946 10.060 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.456 -7.985 9.853 1.00 0.00 H new ATOM 0 HE ARG A 82 0.458 -9.104 12.440 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.041 -7.391 10.703 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.280 -7.851 11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.078 -9.722 13.886 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.738 -9.158 13.661 1.00 0.00 H new ATOM 1247 N SER A 83 -3.074 -9.172 13.150 1.00 0.00 N ATOM 1248 CA SER A 83 -3.429 -10.545 13.458 1.00 0.00 C ATOM 1249 C SER A 83 -3.066 -11.474 12.289 1.00 0.00 C ATOM 1250 O SER A 83 -2.533 -12.577 12.483 1.00 0.00 O ATOM 1251 CB SER A 83 -4.921 -10.612 13.760 1.00 0.00 C ATOM 1252 OG SER A 83 -5.280 -9.644 14.754 1.00 0.00 O ATOM 0 H SER A 83 -3.870 -8.576 12.924 1.00 0.00 H new ATOM 0 HA SER A 83 -2.868 -10.880 14.330 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.490 -10.432 12.848 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.182 -11.612 14.107 1.00 0.00 H new ATOM 0 HG SER A 83 -6.242 -9.701 14.934 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.337 -11.016 11.089 1.00 0.00 N ATOM 1259 CA GLU A 84 -2.999 -11.735 9.881 1.00 0.00 C ATOM 1260 C GLU A 84 -1.942 -10.963 9.158 1.00 0.00 C ATOM 1261 O GLU A 84 -1.819 -9.754 9.370 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.210 -11.901 8.989 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.298 -12.780 9.564 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.448 -12.900 8.619 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.254 -13.387 7.495 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -7.559 -12.457 8.944 1.00 0.00 O ATOM 0 H GLU A 84 -3.803 -10.124 10.921 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.639 -12.730 10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.629 -10.917 8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.888 -12.320 8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.895 -13.770 9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.643 -12.364 10.511 1.00 0.00 H new ATOM 1273 N PRO A 85 -1.146 -11.599 8.299 1.00 0.00 N ATOM 1274 CA PRO A 85 -0.105 -10.910 7.626 1.00 0.00 C ATOM 1275 C PRO A 85 -0.602 -10.038 6.498 1.00 0.00 C ATOM 1276 O PRO A 85 -0.954 -10.484 5.402 1.00 0.00 O ATOM 1277 CB PRO A 85 0.797 -11.998 7.122 1.00 0.00 C ATOM 1278 CG PRO A 85 -0.136 -13.095 6.823 1.00 0.00 C ATOM 1279 CD PRO A 85 -1.177 -13.036 7.914 1.00 0.00 C ATOM 0 HA PRO A 85 0.402 -10.214 8.294 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.349 -11.685 6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.534 -12.289 7.870 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.589 -12.970 5.839 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.376 -14.057 6.818 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.160 -13.341 7.556 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.927 -13.688 8.751 1.00 0.00 H new ATOM 1287 N HIS A 86 -0.655 -8.802 6.789 1.00 0.00 N ATOM 1288 CA HIS A 86 -0.926 -7.764 5.805 1.00 0.00 C ATOM 1289 C HIS A 86 0.365 -7.473 5.066 1.00 0.00 C ATOM 1290 O HIS A 86 0.689 -6.332 4.786 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.392 -6.497 6.506 1.00 0.00 C ATOM 1292 CG HIS A 86 -2.777 -6.547 7.061 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.672 -5.566 6.771 1.00 0.00 N ATOM 1294 CD2 HIS A 86 -3.355 -7.452 7.890 1.00 0.00 C ATOM 1295 CE1 HIS A 86 -4.780 -5.879 7.421 1.00 0.00 C ATOM 1296 NE2 HIS A 86 -4.627 -7.021 8.116 1.00 0.00 N ATOM 0 H HIS A 86 -0.512 -8.444 7.733 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.703 -8.095 5.116 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.700 -6.276 7.319 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.331 -5.668 5.801 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.895 -8.342 8.293 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.688 -5.295 7.397 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.329 -7.476 8.700 1.00 0.00 H new ATOM 1304 N CYS A 87 1.037 -8.524 4.673 1.00 0.00 N ATOM 1305 CA CYS A 87 2.378 -8.405 4.158 1.00 0.00 C ATOM 1306 C CYS A 87 2.413 -8.325 2.675 1.00 0.00 C ATOM 1307 O CYS A 87 3.482 -8.430 2.063 1.00 0.00 O ATOM 1308 CB CYS A 87 3.180 -9.609 4.585 1.00 0.00 C ATOM 1309 SG CYS A 87 2.380 -11.188 4.222 1.00 0.00 S ATOM 0 H CYS A 87 0.676 -9.477 4.700 1.00 0.00 H new ATOM 0 HA CYS A 87 2.797 -7.481 4.558 1.00 0.00 H new ATOM 0 HB2 CYS A 87 4.150 -9.582 4.089 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.368 -9.546 5.657 1.00 0.00 H new ATOM 0 HG CYS A 87 2.733 -11.591 3.037 1.00 0.00 H new ATOM 1315 N LEU A 88 1.272 -8.185 2.102 1.00 0.00 N ATOM 1316 CA LEU A 88 1.147 -8.182 0.687 1.00 0.00 C ATOM 1317 C LEU A 88 0.796 -6.862 0.227 1.00 0.00 C ATOM 1318 O LEU A 88 -0.249 -6.333 0.569 1.00 0.00 O ATOM 1319 CB LEU A 88 0.193 -9.243 0.179 1.00 0.00 C ATOM 1320 CG LEU A 88 0.696 -10.646 0.346 1.00 0.00 C ATOM 1321 CD1 LEU A 88 -0.031 -11.632 -0.498 1.00 0.00 C ATOM 1322 CD2 LEU A 88 2.150 -10.748 0.086 1.00 0.00 C ATOM 0 H LEU A 88 0.392 -8.068 2.604 1.00 0.00 H new ATOM 0 HA LEU A 88 2.117 -8.445 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.757 -9.144 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.006 -9.063 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 88 0.503 -10.895 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.381 -12.627 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.088 -11.627 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.082 -11.365 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.472 -11.781 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.360 -10.430 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.690 -10.108 0.783 1.00 0.00 H new ATOM 1334 N VAL A 89 1.691 -6.305 -0.508 1.00 0.00 N ATOM 1335 CA VAL A 89 1.489 -5.019 -1.061 1.00 0.00 C ATOM 1336 C VAL A 89 1.838 -5.060 -2.516 1.00 0.00 C ATOM 1337 O VAL A 89 2.734 -5.791 -2.927 1.00 0.00 O ATOM 1338 CB VAL A 89 2.333 -3.916 -0.365 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.959 -3.758 1.093 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.806 -4.204 -0.499 1.00 0.00 C ATOM 0 H VAL A 89 2.587 -6.732 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 89 0.441 -4.761 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 89 2.112 -2.975 -0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.572 -2.977 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.907 -3.484 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.128 -4.699 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.377 -3.418 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.033 -5.164 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.075 -4.238 -1.555 1.00 0.00 H new ATOM 1350 N LEU A 90 1.098 -4.381 -3.295 1.00 0.00 N ATOM 1351 CA LEU A 90 1.416 -4.252 -4.668 1.00 0.00 C ATOM 1352 C LEU A 90 1.862 -2.835 -4.880 1.00 0.00 C ATOM 1353 O LEU A 90 1.432 -1.934 -4.164 1.00 0.00 O ATOM 1354 CB LEU A 90 0.199 -4.637 -5.557 1.00 0.00 C ATOM 1355 CG LEU A 90 -0.899 -3.598 -5.730 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.578 -2.686 -6.880 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.256 -4.227 -5.920 1.00 0.00 C ATOM 0 H LEU A 90 0.250 -3.894 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 90 2.215 -4.934 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.574 -4.898 -6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.252 -5.537 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.941 -3.015 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.372 -1.948 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.366 -2.177 -6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.495 -3.271 -7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.006 -3.445 -6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.244 -4.857 -6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.501 -4.835 -5.049 1.00 0.00 H new ATOM 1369 N SER A 91 2.701 -2.627 -5.809 1.00 0.00 N ATOM 1370 CA SER A 91 3.194 -1.325 -6.060 1.00 0.00 C ATOM 1371 C SER A 91 2.327 -0.657 -7.118 1.00 0.00 C ATOM 1372 O SER A 91 2.041 -1.259 -8.151 1.00 0.00 O ATOM 1373 CB SER A 91 4.624 -1.440 -6.580 1.00 0.00 C ATOM 1374 OG SER A 91 4.630 -1.883 -7.904 1.00 0.00 O ATOM 0 H SER A 91 3.072 -3.352 -6.424 1.00 0.00 H new ATOM 0 HA SER A 91 3.174 -0.732 -5.146 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.121 -0.472 -6.512 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.189 -2.133 -5.956 1.00 0.00 H new ATOM 0 HG SER A 91 3.711 -2.058 -8.195 1.00 0.00 H new ATOM 1380 N LEU A 92 1.964 0.564 -6.899 1.00 0.00 N ATOM 1381 CA LEU A 92 1.228 1.354 -7.880 1.00 0.00 C ATOM 1382 C LEU A 92 2.191 1.991 -8.852 1.00 0.00 C ATOM 1383 O LEU A 92 1.818 2.809 -9.682 1.00 0.00 O ATOM 1384 CB LEU A 92 0.456 2.433 -7.151 1.00 0.00 C ATOM 1385 CG LEU A 92 -0.758 1.956 -6.389 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.247 3.036 -5.519 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -1.851 1.611 -7.339 1.00 0.00 C ATOM 0 H LEU A 92 2.163 1.062 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 92 0.543 0.711 -8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.130 2.930 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.138 3.182 -7.876 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.477 1.082 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.123 2.692 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.464 3.318 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.517 3.899 -6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.723 1.268 -6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.117 2.492 -7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.514 0.820 -8.009 1.00 0.00 H new ATOM 1399 N ASP A 93 3.416 1.568 -8.763 1.00 0.00 N ATOM 1400 CA ASP A 93 4.483 2.151 -9.502 1.00 0.00 C ATOM 1401 C ASP A 93 4.995 1.222 -10.552 1.00 0.00 C ATOM 1402 O ASP A 93 4.947 1.533 -11.721 1.00 0.00 O ATOM 1403 CB ASP A 93 5.602 2.579 -8.563 1.00 0.00 C ATOM 1404 CG ASP A 93 5.272 3.835 -7.803 1.00 0.00 C ATOM 1405 OD1 ASP A 93 4.527 3.769 -6.803 1.00 0.00 O ATOM 1406 OD2 ASP A 93 5.759 4.917 -8.209 1.00 0.00 O ATOM 0 H ASP A 93 3.702 0.794 -8.163 1.00 0.00 H new ATOM 0 HA ASP A 93 4.097 3.034 -10.011 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.806 1.774 -7.856 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.514 2.736 -9.139 1.00 0.00 H new ATOM 1411 N ASN A 94 5.459 0.068 -10.149 1.00 0.00 N ATOM 1412 CA ASN A 94 6.015 -0.872 -11.117 1.00 0.00 C ATOM 1413 C ASN A 94 5.006 -1.975 -11.370 1.00 0.00 C ATOM 1414 O ASN A 94 5.163 -2.795 -12.270 1.00 0.00 O ATOM 1415 CB ASN A 94 7.316 -1.481 -10.573 1.00 0.00 C ATOM 1416 CG ASN A 94 8.125 -2.202 -11.640 1.00 0.00 C ATOM 1417 OD1 ASN A 94 8.143 -1.792 -12.807 1.00 0.00 O ATOM 1418 ND2 ASN A 94 8.767 -3.271 -11.269 1.00 0.00 N ATOM 0 H ASN A 94 5.469 -0.250 -9.180 1.00 0.00 H new ATOM 0 HA ASN A 94 6.233 -0.347 -12.047 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.925 -0.691 -10.135 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.076 -2.180 -9.772 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.309 -3.802 -11.950 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.728 -3.578 -10.297 1.00 0.00 H new ATOM 1425 N TRP A 95 3.937 -1.935 -10.580 1.00 0.00 N ATOM 1426 CA TRP A 95 2.905 -2.958 -10.551 1.00 0.00 C ATOM 1427 C TRP A 95 3.473 -4.309 -10.141 1.00 0.00 C ATOM 1428 O TRP A 95 3.124 -5.347 -10.696 1.00 0.00 O ATOM 1429 CB TRP A 95 2.103 -3.028 -11.855 1.00 0.00 C ATOM 1430 CG TRP A 95 1.245 -1.820 -12.079 1.00 0.00 C ATOM 1431 CD1 TRP A 95 1.456 -0.814 -12.970 1.00 0.00 C ATOM 1432 CD2 TRP A 95 0.037 -1.484 -11.378 1.00 0.00 C ATOM 1433 NE1 TRP A 95 0.442 0.105 -12.883 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -0.429 -0.272 -11.910 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -0.694 -2.091 -10.358 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -1.594 0.345 -11.458 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -1.849 -1.478 -9.909 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -2.286 -0.272 -10.458 1.00 0.00 C ATOM 0 H TRP A 95 3.763 -1.170 -9.928 1.00 0.00 H new ATOM 0 HA TRP A 95 2.190 -2.665 -9.783 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.791 -3.139 -12.693 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.473 -3.917 -11.840 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.297 -0.749 -13.645 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.355 0.942 -13.459 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.364 -3.024 -9.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.936 1.277 -11.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.423 -1.941 -9.120 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.191 0.182 -10.083 1.00 0.00 H new ATOM 1449 N SER A 96 4.340 -4.296 -9.145 1.00 0.00 N ATOM 1450 CA SER A 96 4.869 -5.515 -8.644 1.00 0.00 C ATOM 1451 C SER A 96 4.117 -5.877 -7.408 1.00 0.00 C ATOM 1452 O SER A 96 3.370 -5.055 -6.871 1.00 0.00 O ATOM 1453 CB SER A 96 6.317 -5.359 -8.249 1.00 0.00 C ATOM 1454 OG SER A 96 7.105 -4.793 -9.284 1.00 0.00 O ATOM 0 H SER A 96 4.680 -3.453 -8.682 1.00 0.00 H new ATOM 0 HA SER A 96 4.782 -6.273 -9.422 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.382 -4.729 -7.362 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.724 -6.334 -7.979 1.00 0.00 H new ATOM 0 HG SER A 96 8.002 -5.187 -9.265 1.00 0.00 H new ATOM 1460 N VAL A 97 4.314 -7.061 -6.956 1.00 0.00 N ATOM 1461 CA VAL A 97 3.792 -7.474 -5.713 1.00 0.00 C ATOM 1462 C VAL A 97 4.952 -7.754 -4.795 1.00 0.00 C ATOM 1463 O VAL A 97 5.963 -8.280 -5.237 1.00 0.00 O ATOM 1464 CB VAL A 97 2.900 -8.716 -5.877 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.658 -9.368 -4.579 1.00 0.00 C ATOM 1466 CG2 VAL A 97 1.573 -8.322 -6.401 1.00 0.00 C ATOM 0 H VAL A 97 4.849 -7.777 -7.447 1.00 0.00 H new ATOM 0 HA VAL A 97 3.164 -6.690 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 97 3.416 -9.393 -6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.025 -10.243 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.609 -9.676 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.161 -8.668 -3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.949 -9.208 -6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.098 -7.630 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.694 -7.838 -7.370 1.00 0.00 H new ATOM 1476 N TRP A 98 4.828 -7.396 -3.561 1.00 0.00 N ATOM 1477 CA TRP A 98 5.852 -7.653 -2.625 1.00 0.00 C ATOM 1478 C TRP A 98 5.250 -8.420 -1.489 1.00 0.00 C ATOM 1479 O TRP A 98 4.131 -8.070 -1.010 1.00 0.00 O ATOM 1480 CB TRP A 98 6.507 -6.376 -2.090 1.00 0.00 C ATOM 1481 CG TRP A 98 7.807 -6.684 -1.425 1.00 0.00 C ATOM 1482 CD1 TRP A 98 8.040 -6.890 -0.092 1.00 0.00 C ATOM 1483 CD2 TRP A 98 9.050 -6.880 -2.085 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.355 -7.216 0.104 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.991 -7.211 -1.104 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.461 -6.810 -3.421 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.300 -7.478 -1.405 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.778 -7.073 -3.723 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.689 -7.408 -2.718 1.00 0.00 C ATOM 0 H TRP A 98 4.012 -6.918 -3.180 1.00 0.00 H new ATOM 0 HA TRP A 98 6.639 -8.219 -3.125 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.670 -5.675 -2.909 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.838 -5.888 -1.381 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.298 -6.808 0.688 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.788 -7.427 1.003 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.758 -6.554 -4.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 12.006 -7.736 -0.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 11.111 -7.020 -4.749 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.716 -7.615 -2.980 1.00 0.00 H new ATOM 1500 N CYS A 99 5.944 -9.464 -1.067 1.00 0.00 N ATOM 1501 CA CYS A 99 5.525 -10.216 0.075 1.00 0.00 C ATOM 1502 C CYS A 99 6.551 -9.999 1.107 1.00 0.00 C ATOM 1503 O CYS A 99 7.650 -10.466 0.962 1.00 0.00 O ATOM 1504 CB CYS A 99 5.338 -11.737 -0.206 1.00 0.00 C ATOM 1505 SG CYS A 99 5.077 -12.724 1.305 1.00 0.00 S ATOM 0 H CYS A 99 6.800 -9.800 -1.508 1.00 0.00 H new ATOM 0 HA CYS A 99 4.539 -9.873 0.389 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.487 -11.874 -0.873 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.217 -12.113 -0.730 1.00 0.00 H new ATOM 1510 N TYR A 100 6.206 -9.298 2.142 1.00 0.00 N ATOM 1511 CA TYR A 100 7.184 -8.929 3.158 1.00 0.00 C ATOM 1512 C TYR A 100 7.706 -10.114 3.941 1.00 0.00 C ATOM 1513 O TYR A 100 8.851 -10.114 4.385 1.00 0.00 O ATOM 1514 CB TYR A 100 6.618 -7.943 4.135 1.00 0.00 C ATOM 1515 CG TYR A 100 6.324 -6.572 3.608 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.344 -5.728 3.196 1.00 0.00 C ATOM 1517 CD2 TYR A 100 5.031 -6.114 3.556 1.00 0.00 C ATOM 1518 CE1 TYR A 100 7.074 -4.456 2.738 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.743 -4.840 3.107 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.772 -4.013 2.696 1.00 0.00 C ATOM 1521 OH TYR A 100 5.499 -2.740 2.250 1.00 0.00 O ATOM 0 H TYR A 100 5.259 -8.963 2.319 1.00 0.00 H new ATOM 0 HA TYR A 100 8.010 -8.484 2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.695 -8.357 4.542 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.317 -7.846 4.966 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.367 -6.073 3.235 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.226 -6.761 3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.878 -3.812 2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.721 -4.492 3.077 1.00 0.00 H new ATOM 0 HH TYR A 100 6.175 -2.471 1.594 1.00 0.00 H new ATOM 1531 N VAL A 101 6.887 -11.124 4.088 1.00 0.00 N ATOM 1532 CA VAL A 101 7.251 -12.277 4.897 1.00 0.00 C ATOM 1533 C VAL A 101 8.142 -13.255 4.101 1.00 0.00 C ATOM 1534 O VAL A 101 8.913 -14.013 4.671 1.00 0.00 O ATOM 1535 CB VAL A 101 5.989 -12.954 5.496 1.00 0.00 C ATOM 1536 CG1 VAL A 101 5.058 -13.353 4.415 1.00 0.00 C ATOM 1537 CG2 VAL A 101 6.317 -14.139 6.387 1.00 0.00 C ATOM 0 H VAL A 101 5.962 -11.179 3.661 1.00 0.00 H new ATOM 0 HA VAL A 101 7.850 -11.936 5.742 1.00 0.00 H new ATOM 0 HB VAL A 101 5.506 -12.214 6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.178 -13.826 4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.755 -12.470 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.556 -14.056 3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.394 -14.569 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.853 -14.892 5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.940 -13.808 7.218 1.00 0.00 H new ATOM 1547 N CYS A 102 8.060 -13.193 2.771 1.00 0.00 N ATOM 1548 CA CYS A 102 8.969 -13.958 1.945 1.00 0.00 C ATOM 1549 C CYS A 102 10.152 -13.071 1.688 1.00 0.00 C ATOM 1550 O CYS A 102 11.288 -13.498 1.614 1.00 0.00 O ATOM 1551 CB CYS A 102 8.346 -14.275 0.598 1.00 0.00 C ATOM 1552 SG CYS A 102 7.236 -15.669 0.496 1.00 0.00 S ATOM 0 H CYS A 102 7.383 -12.629 2.258 1.00 0.00 H new ATOM 0 HA CYS A 102 9.226 -14.892 2.445 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.803 -13.391 0.265 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.155 -14.439 -0.114 1.00 0.00 H new ATOM 1557 N ASP A 103 9.813 -11.824 1.595 1.00 0.00 N ATOM 1558 CA ASP A 103 10.665 -10.716 1.251 1.00 0.00 C ATOM 1559 C ASP A 103 11.278 -10.895 -0.099 1.00 0.00 C ATOM 1560 O ASP A 103 12.486 -11.104 -0.254 1.00 0.00 O ATOM 1561 CB ASP A 103 11.672 -10.307 2.320 1.00 0.00 C ATOM 1562 CG ASP A 103 12.195 -8.906 2.061 1.00 0.00 C ATOM 1563 OD1 ASP A 103 11.386 -7.937 2.147 1.00 0.00 O ATOM 1564 OD2 ASP A 103 13.401 -8.731 1.778 1.00 0.00 O ATOM 0 H ASP A 103 8.854 -11.524 1.771 1.00 0.00 H new ATOM 0 HA ASP A 103 10.000 -9.854 1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.203 -10.349 3.303 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.502 -11.013 2.333 1.00 0.00 H new ATOM 1569 N ASN A 104 10.402 -10.922 -1.072 1.00 0.00 N ATOM 1570 CA ASN A 104 10.747 -10.977 -2.434 1.00 0.00 C ATOM 1571 C ASN A 104 9.550 -10.388 -3.183 1.00 0.00 C ATOM 1572 O ASN A 104 8.495 -10.084 -2.558 1.00 0.00 O ATOM 1573 CB ASN A 104 10.962 -12.420 -2.885 1.00 0.00 C ATOM 1574 CG ASN A 104 9.662 -13.156 -2.942 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.262 -13.802 -2.027 1.00 0.00 O ATOM 1576 ND2 ASN A 104 9.015 -13.063 -4.023 1.00 0.00 N ATOM 0 H ASN A 104 9.395 -10.905 -0.910 1.00 0.00 H new ATOM 0 HA ASN A 104 11.672 -10.434 -2.626 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.436 -12.433 -3.867 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.641 -12.924 -2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.125 -13.549 -4.128 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.383 -12.501 -4.791 1.00 0.00 H new ATOM 1583 N GLU A 105 9.684 -10.291 -4.480 1.00 0.00 N ATOM 1584 CA GLU A 105 8.659 -9.801 -5.353 1.00 0.00 C ATOM 1585 C GLU A 105 7.856 -10.962 -5.926 1.00 0.00 C ATOM 1586 O GLU A 105 8.449 -11.944 -6.351 1.00 0.00 O ATOM 1587 CB GLU A 105 9.366 -9.145 -6.458 1.00 0.00 C ATOM 1588 CG GLU A 105 8.479 -8.364 -7.356 1.00 0.00 C ATOM 1589 CD GLU A 105 9.248 -7.626 -8.415 1.00 0.00 C ATOM 1590 OE1 GLU A 105 9.849 -8.303 -9.281 1.00 0.00 O ATOM 1591 OE2 GLU A 105 9.263 -6.384 -8.426 1.00 0.00 O ATOM 0 H GLU A 105 10.538 -10.560 -4.969 1.00 0.00 H new ATOM 0 HA GLU A 105 7.978 -9.134 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.127 -8.482 -6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.886 -9.902 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.764 -9.036 -7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.903 -7.652 -6.765 1.00 0.00 H new ATOM 1598 N VAL A 106 6.553 -10.853 -5.984 1.00 0.00 N ATOM 1599 CA VAL A 106 5.727 -11.972 -6.435 1.00 0.00 C ATOM 1600 C VAL A 106 5.242 -11.782 -7.872 1.00 0.00 C ATOM 1601 O VAL A 106 4.717 -10.716 -8.231 1.00 0.00 O ATOM 1602 CB VAL A 106 4.512 -12.210 -5.508 1.00 0.00 C ATOM 1603 CG1 VAL A 106 3.838 -13.538 -5.851 1.00 0.00 C ATOM 1604 CG2 VAL A 106 4.950 -12.193 -4.054 1.00 0.00 C ATOM 0 H VAL A 106 6.033 -10.013 -5.729 1.00 0.00 H new ATOM 0 HA VAL A 106 6.370 -12.851 -6.396 1.00 0.00 H new ATOM 0 HB VAL A 106 3.790 -11.407 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.984 -13.694 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.498 -13.517 -6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.551 -14.352 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.086 -12.362 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.686 -12.980 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.393 -11.225 -3.819 1.00 0.00 H new ATOM 1614 N GLN A 107 5.450 -12.822 -8.681 1.00 0.00 N ATOM 1615 CA GLN A 107 5.051 -12.888 -10.050 1.00 0.00 C ATOM 1616 C GLN A 107 3.751 -13.640 -10.111 1.00 0.00 C ATOM 1617 O GLN A 107 3.690 -14.840 -9.816 1.00 0.00 O ATOM 1618 CB GLN A 107 6.066 -13.655 -10.921 1.00 0.00 C ATOM 1619 CG GLN A 107 7.476 -13.093 -11.014 1.00 0.00 C ATOM 1620 CD GLN A 107 8.255 -13.179 -9.734 1.00 0.00 C ATOM 1621 OE1 GLN A 107 8.894 -14.192 -9.448 1.00 0.00 O ATOM 1622 NE2 GLN A 107 8.265 -12.124 -8.994 1.00 0.00 N ATOM 0 H GLN A 107 5.924 -13.669 -8.366 1.00 0.00 H new ATOM 0 HA GLN A 107 4.973 -11.869 -10.429 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.134 -14.674 -10.540 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.662 -13.719 -11.931 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.018 -13.628 -11.794 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.420 -12.049 -11.323 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.722 -11.305 -9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.816 -12.108 -8.136 1.00 0.00 H new ATOM 1631 N TYR A 108 2.757 -12.951 -10.432 1.00 0.00 N ATOM 1632 CA TYR A 108 1.425 -13.494 -10.559 1.00 0.00 C ATOM 1633 C TYR A 108 1.008 -13.650 -12.010 1.00 0.00 C ATOM 1634 O TYR A 108 1.682 -13.177 -12.935 1.00 0.00 O ATOM 1635 CB TYR A 108 0.428 -12.611 -9.817 1.00 0.00 C ATOM 1636 CG TYR A 108 0.592 -11.152 -10.107 1.00 0.00 C ATOM 1637 CD1 TYR A 108 -0.006 -10.560 -11.202 1.00 0.00 C ATOM 1638 CD2 TYR A 108 1.364 -10.376 -9.284 1.00 0.00 C ATOM 1639 CE1 TYR A 108 0.166 -9.225 -11.463 1.00 0.00 C ATOM 1640 CE2 TYR A 108 1.553 -9.054 -9.521 1.00 0.00 C ATOM 1641 CZ TYR A 108 0.949 -8.466 -10.622 1.00 0.00 C ATOM 1642 OH TYR A 108 1.113 -7.124 -10.882 1.00 0.00 O ATOM 0 H TYR A 108 2.812 -11.952 -10.629 1.00 0.00 H new ATOM 0 HA TYR A 108 1.432 -14.489 -10.114 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.584 -12.915 -10.085 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.537 -12.775 -8.745 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.618 -11.157 -11.862 1.00 0.00 H new ATOM 0 HD2 TYR A 108 1.835 -10.829 -8.424 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.309 -8.772 -12.321 1.00 0.00 H new ATOM 0 HE2 TYR A 108 2.169 -8.464 -8.858 1.00 0.00 H new ATOM 0 HH TYR A 108 2.028 -6.856 -10.655 1.00 0.00 H new ATOM 1652 N CYS A 109 -0.095 -14.299 -12.193 1.00 0.00 N ATOM 1653 CA CYS A 109 -0.693 -14.495 -13.471 1.00 0.00 C ATOM 1654 C CYS A 109 -2.145 -14.143 -13.307 1.00 0.00 C ATOM 1655 O CYS A 109 -2.663 -14.238 -12.198 1.00 0.00 O ATOM 1656 CB CYS A 109 -0.532 -15.957 -13.909 1.00 0.00 C ATOM 1657 SG CYS A 109 -1.245 -16.349 -15.526 1.00 0.00 S ATOM 0 H CYS A 109 -0.622 -14.722 -11.429 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.224 -13.878 -14.237 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.530 -16.201 -13.927 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -0.994 -16.599 -13.159 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.049 -17.606 -15.794 1.00 0.00 H new ATOM 1663 N SER A 110 -2.803 -13.753 -14.366 1.00 0.00 N ATOM 1664 CA SER A 110 -4.188 -13.339 -14.298 1.00 0.00 C ATOM 1665 C SER A 110 -5.134 -14.523 -13.976 1.00 0.00 C ATOM 1666 O SER A 110 -6.294 -14.325 -13.661 1.00 0.00 O ATOM 1667 CB SER A 110 -4.567 -12.643 -15.603 1.00 0.00 C ATOM 1668 OG SER A 110 -3.615 -11.617 -15.910 1.00 0.00 O ATOM 0 H SER A 110 -2.399 -13.712 -15.302 1.00 0.00 H new ATOM 0 HA SER A 110 -4.305 -12.634 -13.475 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.604 -13.370 -16.414 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.564 -12.211 -15.517 1.00 0.00 H new ATOM 0 HG SER A 110 -3.866 -11.178 -16.749 1.00 0.00 H new ATOM 1674 N SER A 111 -4.614 -15.745 -14.045 1.00 0.00 N ATOM 1675 CA SER A 111 -5.387 -16.919 -13.683 1.00 0.00 C ATOM 1676 C SER A 111 -5.055 -17.340 -12.234 1.00 0.00 C ATOM 1677 O SER A 111 -5.565 -18.342 -11.709 1.00 0.00 O ATOM 1678 CB SER A 111 -5.125 -18.059 -14.682 1.00 0.00 C ATOM 1679 OG SER A 111 -6.001 -19.153 -14.459 1.00 0.00 O ATOM 0 H SER A 111 -3.661 -15.943 -14.349 1.00 0.00 H new ATOM 0 HA SER A 111 -6.450 -16.682 -13.728 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.253 -17.690 -15.700 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.092 -18.394 -14.592 1.00 0.00 H new ATOM 0 HG SER A 111 -6.128 -19.279 -13.495 1.00 0.00 H new ATOM 1685 N ASN A 112 -4.213 -16.566 -11.598 1.00 0.00 N ATOM 1686 CA ASN A 112 -3.861 -16.764 -10.205 1.00 0.00 C ATOM 1687 C ASN A 112 -4.602 -15.701 -9.445 1.00 0.00 C ATOM 1688 O ASN A 112 -4.750 -14.608 -9.966 1.00 0.00 O ATOM 1689 CB ASN A 112 -2.347 -16.592 -10.004 1.00 0.00 C ATOM 1690 CG ASN A 112 -1.912 -16.785 -8.561 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -1.912 -15.840 -7.775 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -1.536 -17.988 -8.213 1.00 0.00 N ATOM 0 H ASN A 112 -3.745 -15.771 -12.033 1.00 0.00 H new ATOM 0 HA ASN A 112 -4.122 -17.766 -9.866 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.819 -17.307 -10.635 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -2.053 -15.596 -10.336 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.228 -18.170 -7.258 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.551 -18.745 -8.897 1.00 0.00 H new ATOM 1699 N GLN A 113 -5.077 -15.994 -8.242 1.00 0.00 N ATOM 1700 CA GLN A 113 -5.904 -15.042 -7.473 1.00 0.00 C ATOM 1701 C GLN A 113 -5.176 -13.718 -7.261 1.00 0.00 C ATOM 1702 O GLN A 113 -5.801 -12.660 -7.278 1.00 0.00 O ATOM 1703 CB GLN A 113 -6.310 -15.602 -6.103 1.00 0.00 C ATOM 1704 CG GLN A 113 -7.370 -14.755 -5.390 1.00 0.00 C ATOM 1705 CD GLN A 113 -7.457 -14.973 -3.886 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -8.540 -14.902 -3.299 1.00 0.00 O ATOM 1707 NE2 GLN A 113 -6.337 -15.141 -3.240 1.00 0.00 N ATOM 0 H GLN A 113 -4.910 -16.881 -7.768 1.00 0.00 H new ATOM 0 HA GLN A 113 -6.803 -14.877 -8.067 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.691 -16.615 -6.231 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -5.425 -15.672 -5.470 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -7.160 -13.702 -5.579 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -8.343 -14.970 -5.831 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -5.456 -15.196 -3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.341 -15.217 -2.223 1.00 0.00 H new ATOM 1716 N LEU A 114 -3.859 -13.770 -7.105 1.00 0.00 N ATOM 1717 CA LEU A 114 -3.078 -12.570 -6.909 1.00 0.00 C ATOM 1718 C LEU A 114 -3.120 -11.733 -8.161 1.00 0.00 C ATOM 1719 O LEU A 114 -3.337 -10.528 -8.103 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.640 -12.937 -6.562 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.685 -11.771 -6.363 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -1.170 -10.860 -5.256 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.688 -12.281 -6.049 1.00 0.00 C ATOM 0 H LEU A 114 -3.316 -14.633 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.497 -11.994 -6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.648 -13.534 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.246 -13.572 -7.355 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.648 -11.194 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.470 -10.033 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.154 -10.467 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.236 -11.422 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.366 -11.439 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.655 -12.877 -5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.044 -12.899 -6.873 1.00 0.00 H new ATOM 1735 N GLY A 115 -3.011 -12.396 -9.288 1.00 0.00 N ATOM 1736 CA GLY A 115 -3.077 -11.721 -10.541 1.00 0.00 C ATOM 1737 C GLY A 115 -4.455 -11.197 -10.785 1.00 0.00 C ATOM 1738 O GLY A 115 -4.605 -10.087 -11.237 1.00 0.00 O ATOM 0 H GLY A 115 -2.876 -13.405 -9.352 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.362 -10.899 -10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.794 -12.403 -11.343 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.472 -12.004 -10.464 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.877 -11.614 -10.592 1.00 0.00 C ATOM 1744 C GLN A 116 -7.172 -10.374 -9.802 1.00 0.00 C ATOM 1745 O GLN A 116 -7.860 -9.453 -10.285 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.802 -12.737 -10.102 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.583 -14.021 -10.831 1.00 0.00 C ATOM 1748 CD GLN A 116 -8.647 -15.064 -10.588 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -9.674 -15.090 -11.266 1.00 0.00 O ATOM 1750 NE2 GLN A 116 -8.372 -15.986 -9.716 1.00 0.00 N ATOM 0 H GLN A 116 -5.341 -12.950 -10.107 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.059 -11.420 -11.649 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.640 -12.897 -9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.840 -12.427 -10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.532 -13.814 -11.900 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.616 -14.431 -10.539 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -7.511 -15.932 -9.171 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.017 -16.764 -9.576 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.629 -10.312 -8.620 1.00 0.00 N ATOM 1760 CA VAL A 117 -6.886 -9.193 -7.779 1.00 0.00 C ATOM 1761 C VAL A 117 -6.112 -7.993 -8.218 1.00 0.00 C ATOM 1762 O VAL A 117 -6.683 -6.952 -8.362 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.762 -9.484 -6.277 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.602 -8.213 -5.478 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -8.017 -10.153 -5.846 1.00 0.00 C ATOM 0 H VAL A 117 -6.011 -11.021 -8.225 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.943 -8.959 -7.906 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.884 -10.107 -6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.517 -8.457 -4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.703 -7.690 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.470 -7.573 -5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.963 -10.375 -4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.864 -9.495 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.145 -11.081 -6.404 1.00 0.00 H new ATOM 1775 N VAL A 118 -4.831 -8.145 -8.472 1.00 0.00 N ATOM 1776 CA VAL A 118 -4.021 -7.029 -8.991 1.00 0.00 C ATOM 1777 C VAL A 118 -4.610 -6.490 -10.275 1.00 0.00 C ATOM 1778 O VAL A 118 -4.654 -5.301 -10.478 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.540 -7.410 -9.242 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -1.780 -6.246 -9.875 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -1.859 -7.791 -7.957 1.00 0.00 C ATOM 0 H VAL A 118 -4.318 -9.016 -8.334 1.00 0.00 H new ATOM 0 HA VAL A 118 -4.040 -6.266 -8.213 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.534 -8.262 -9.922 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.743 -6.537 -10.042 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.242 -5.985 -10.827 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.813 -5.385 -9.208 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.821 -8.054 -8.160 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.892 -6.950 -7.265 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.370 -8.646 -7.514 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.145 -7.368 -11.082 1.00 0.00 N ATOM 1792 CA ASP A 119 -5.745 -6.984 -12.362 1.00 0.00 C ATOM 1793 C ASP A 119 -6.998 -6.171 -12.075 1.00 0.00 C ATOM 1794 O ASP A 119 -7.215 -5.092 -12.641 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.093 -8.238 -13.169 1.00 0.00 C ATOM 1796 CG ASP A 119 -6.704 -7.952 -14.516 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -5.951 -7.696 -15.479 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -7.949 -8.047 -14.653 1.00 0.00 O ATOM 0 H ASP A 119 -5.184 -8.368 -10.885 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.045 -6.387 -12.947 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.188 -8.829 -13.310 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -6.785 -8.849 -12.590 1.00 0.00 H new ATOM 1803 N TYR A 120 -7.752 -6.649 -11.099 1.00 0.00 N ATOM 1804 CA TYR A 120 -8.974 -5.989 -10.655 1.00 0.00 C ATOM 1805 C TYR A 120 -8.630 -4.622 -10.041 1.00 0.00 C ATOM 1806 O TYR A 120 -9.174 -3.589 -10.404 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.732 -6.911 -9.653 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.588 -6.200 -8.640 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.772 -5.594 -8.990 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -10.171 -6.120 -7.317 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.512 -4.910 -8.060 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -10.899 -5.457 -6.380 1.00 0.00 C ATOM 1813 CZ TYR A 120 -12.076 -4.838 -6.760 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.803 -4.127 -5.853 1.00 0.00 O ATOM 0 H TYR A 120 -7.536 -7.506 -10.590 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.635 -5.811 -11.503 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.363 -7.594 -10.221 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -9.001 -7.520 -9.122 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.123 -5.658 -10.009 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -9.246 -6.596 -7.026 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.435 -4.429 -8.349 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.563 -5.414 -5.354 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.621 -3.795 -6.278 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.662 -4.615 -9.209 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.268 -3.435 -8.503 1.00 0.00 C ATOM 1826 C VAL A 121 -6.611 -2.446 -9.461 1.00 0.00 C ATOM 1827 O VAL A 121 -6.732 -1.228 -9.297 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.330 -3.785 -7.321 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -5.811 -2.564 -6.647 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -7.040 -4.658 -6.315 1.00 0.00 C ATOM 0 H VAL A 121 -7.103 -5.439 -8.987 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.157 -2.964 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.483 -4.330 -7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.157 -2.853 -5.824 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.249 -1.964 -7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.646 -1.980 -6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.363 -4.891 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -7.912 -4.131 -5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.359 -5.583 -6.796 1.00 0.00 H new ATOM 1840 N ARG A 122 -5.981 -2.963 -10.481 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.431 -2.142 -11.488 1.00 0.00 C ATOM 1842 C ARG A 122 -6.560 -1.482 -12.236 1.00 0.00 C ATOM 1843 O ARG A 122 -6.464 -0.331 -12.570 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.482 -2.914 -12.397 1.00 0.00 C ATOM 1845 CG ARG A 122 -3.734 -2.034 -13.375 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.415 -2.678 -13.793 1.00 0.00 C ATOM 1847 NE ARG A 122 -1.724 -1.942 -14.860 1.00 0.00 N ATOM 1848 CZ ARG A 122 -0.554 -2.323 -15.418 1.00 0.00 C ATOM 1849 NH1 ARG A 122 0.060 -3.442 -15.012 1.00 0.00 N ATOM 1850 NH2 ARG A 122 0.005 -1.581 -16.374 1.00 0.00 N ATOM 0 H ARG A 122 -5.843 -3.963 -10.624 1.00 0.00 H new ATOM 0 HA ARG A 122 -4.814 -1.366 -11.035 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.762 -3.454 -11.782 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.050 -3.660 -12.953 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.351 -1.857 -14.256 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.540 -1.062 -12.921 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.760 -2.746 -12.924 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.606 -3.697 -14.129 1.00 0.00 H new ATOM 0 HE ARG A 122 -2.157 -1.085 -15.203 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.356 -4.014 -14.276 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.943 -3.723 -15.438 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -0.451 -0.723 -16.686 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.888 -1.871 -16.794 1.00 0.00 H new ATOM 1864 N LYS A 123 -7.671 -2.191 -12.412 1.00 0.00 N ATOM 1865 CA LYS A 123 -8.886 -1.600 -13.007 1.00 0.00 C ATOM 1866 C LYS A 123 -9.523 -0.595 -12.039 1.00 0.00 C ATOM 1867 O LYS A 123 -10.281 0.276 -12.454 1.00 0.00 O ATOM 1868 CB LYS A 123 -9.949 -2.671 -13.279 1.00 0.00 C ATOM 1869 CG LYS A 123 -9.583 -3.836 -14.191 1.00 0.00 C ATOM 1870 CD LYS A 123 -9.430 -3.454 -15.653 1.00 0.00 C ATOM 1871 CE LYS A 123 -8.057 -2.876 -15.995 1.00 0.00 C ATOM 1872 NZ LYS A 123 -7.890 -2.653 -17.452 1.00 0.00 N ATOM 0 H LYS A 123 -7.765 -3.174 -12.155 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.577 -1.119 -13.935 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -10.258 -3.084 -12.319 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -10.820 -2.174 -13.707 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.649 -4.277 -13.842 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -10.351 -4.605 -14.106 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -9.608 -4.335 -16.270 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -10.197 -2.724 -15.911 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -7.920 -1.932 -15.467 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.281 -3.555 -15.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -6.945 -2.261 -17.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.994 -3.557 -17.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.614 -1.985 -17.786 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.259 -0.752 -10.747 1.00 0.00 N ATOM 1887 CA GLN A 124 -9.836 0.174 -9.766 1.00 0.00 C ATOM 1888 C GLN A 124 -9.119 1.488 -9.807 1.00 0.00 C ATOM 1889 O GLN A 124 -9.724 2.554 -9.890 1.00 0.00 O ATOM 1890 CB GLN A 124 -9.783 -0.349 -8.331 1.00 0.00 C ATOM 1891 CG GLN A 124 -10.595 -1.591 -8.063 1.00 0.00 C ATOM 1892 CD GLN A 124 -11.753 -1.767 -8.988 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -12.854 -1.290 -8.743 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.507 -2.485 -10.029 1.00 0.00 N ATOM 0 H GLN A 124 -8.668 -1.487 -10.357 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.883 0.285 -10.047 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -8.743 -0.553 -8.075 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.127 0.440 -7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -9.945 -2.462 -8.141 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.963 -1.558 -7.038 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.570 -2.857 -10.182 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.250 -2.682 -10.700 1.00 0.00 H new ATOM 1903 N ALA A 125 -7.814 1.384 -9.760 1.00 0.00 N ATOM 1904 CA ALA A 125 -6.934 2.515 -9.722 1.00 0.00 C ATOM 1905 C ALA A 125 -6.842 3.210 -11.067 1.00 0.00 C ATOM 1906 O ALA A 125 -6.622 4.421 -11.133 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.576 2.053 -9.235 1.00 0.00 C ATOM 0 H ALA A 125 -7.327 0.488 -9.747 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.335 3.257 -9.031 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -4.894 2.902 -9.200 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.674 1.625 -8.237 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.182 1.299 -9.917 1.00 0.00 H new ATOM 1913 N SER A 126 -6.936 2.445 -12.123 1.00 0.00 N ATOM 1914 CA SER A 126 -6.953 3.013 -13.458 1.00 0.00 C ATOM 1915 C SER A 126 -8.363 3.493 -13.850 1.00 0.00 C ATOM 1916 O SER A 126 -9.036 2.825 -14.666 1.00 0.00 O ATOM 1917 CB SER A 126 -6.451 1.974 -14.450 1.00 0.00 C ATOM 1918 OG SER A 126 -5.184 1.469 -14.041 1.00 0.00 O ATOM 1919 OXT SER A 126 -8.820 4.539 -13.335 1.00 0.00 O ATOM 0 H SER A 126 -7.002 1.428 -12.091 1.00 0.00 H new ATOM 0 HA SER A 126 -6.298 3.884 -13.474 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.168 1.157 -14.525 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.370 2.418 -15.442 1.00 0.00 H new ATOM 0 HG SER A 126 -5.310 0.634 -13.544 1.00 0.00 H new TER 1925 SER A 126 HETATM 1926 ZN ZN A 336 2.532 7.693 3.829 1.00 0.00 ZN HETATM 1927 ZN ZN A 337 -3.316 -3.898 5.545 1.00 0.00 ZN HETATM 1928 ZN ZN A 338 5.101 -15.013 0.897 1.00 0.00 ZN