USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 SER OG : rot -91:sc= 0.185 USER MOD Set 1.2: A 61 GLN :FLIP amide:sc= -2.37 F(o=-7.5!,f=-2.2) USER MOD Set 2.1: A 2 SER OG : rot 115:sc= 0.724 USER MOD Set 2.2: A 22 THR OG1 : rot -12:sc= -1.3! USER MOD Single : A 1 ALA N :NH3+ -109:sc= -1.37 (180deg=-5.09!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -66:sc= -1.56! USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -4.3! (180deg=-5.67!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.371 USER MOD Single : A 14 SER OG : rot 103:sc= -9.5! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -37:sc= -6.2! USER MOD Single : A 19 SER OG : rot 177:sc= -0.862! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.733 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -98:sc= -4.83! USER MOD Single : A 55 SER OG : rot -101:sc= -3.63! USER MOD Single : A 58 GLN :FLIP amide:sc= -3.23! C(o=-6.6!,f=-3.2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -4.71! C(o=-6.3!,f=-4.7!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 143:sc= -6.9! USER MOD Single : A 80 TYR OH : rot 180:sc= 0.26 USER MOD Single : A 82 THR OG1 : rot 76:sc= 1.08 USER MOD Single : A 83 SER OG : rot -72:sc= -2.03! USER MOD Single : A 85 CYS SG : rot 51:sc= -2.37! USER MOD Single : A 86 THR OG1 : rot 66:sc= -1.03 USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.1! USER MOD Single : A 90 HIS : no HE2:sc= -16.3! C(o=-16!,f=-18!) USER MOD Single : A 91 LYS NZ :NH3+ -158:sc= -0.0184 (180deg=-0.182) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.933 0.933 -8.640 1.00 0.00 N ATOM 2 CA ALA A 1 10.917 -0.510 -8.264 1.00 0.00 C ATOM 3 C ALA A 1 12.251 -0.881 -7.617 1.00 0.00 C ATOM 4 O ALA A 1 13.217 -1.184 -8.289 1.00 0.00 O ATOM 5 CB ALA A 1 10.703 -1.362 -9.519 1.00 0.00 C ATOM 0 H1 ALA A 1 10.298 1.463 -8.010 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.900 1.305 -8.549 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.612 1.039 -9.624 1.00 0.00 H new ATOM 0 HA ALA A 1 10.107 -0.694 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.691 -2.417 -9.245 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.752 -1.097 -9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.513 -1.180 -10.225 1.00 0.00 H new ATOM 13 N SER A 2 12.314 -0.860 -6.314 1.00 0.00 N ATOM 14 CA SER A 2 13.588 -1.211 -5.626 1.00 0.00 C ATOM 15 C SER A 2 13.572 -2.687 -5.244 1.00 0.00 C ATOM 16 O SER A 2 14.388 -3.466 -5.697 1.00 0.00 O ATOM 17 CB SER A 2 13.738 -0.368 -4.362 1.00 0.00 C ATOM 18 OG SER A 2 14.989 0.305 -4.396 1.00 0.00 O ATOM 0 H SER A 2 11.540 -0.615 -5.697 1.00 0.00 H new ATOM 0 HA SER A 2 14.424 -1.015 -6.298 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.925 0.354 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.677 -1.002 -3.478 1.00 0.00 H new ATOM 0 HG SER A 2 14.839 1.272 -4.442 1.00 0.00 H new ATOM 24 N TYR A 3 12.650 -3.080 -4.415 1.00 0.00 N ATOM 25 CA TYR A 3 12.590 -4.516 -4.010 1.00 0.00 C ATOM 26 C TYR A 3 11.470 -5.222 -4.787 1.00 0.00 C ATOM 27 O TYR A 3 11.669 -5.607 -5.920 1.00 0.00 O ATOM 28 CB TYR A 3 12.365 -4.625 -2.498 1.00 0.00 C ATOM 29 CG TYR A 3 13.668 -4.980 -1.823 1.00 0.00 C ATOM 30 CD1 TYR A 3 14.697 -4.033 -1.754 1.00 0.00 C ATOM 31 CD2 TYR A 3 13.847 -6.250 -1.264 1.00 0.00 C ATOM 32 CE1 TYR A 3 15.906 -4.355 -1.126 1.00 0.00 C ATOM 33 CE2 TYR A 3 15.056 -6.573 -0.635 1.00 0.00 C ATOM 34 CZ TYR A 3 16.086 -5.626 -0.568 1.00 0.00 C ATOM 35 OH TYR A 3 17.277 -5.945 0.053 1.00 0.00 O ATOM 0 H TYR A 3 11.939 -2.478 -4.001 1.00 0.00 H new ATOM 0 HA TYR A 3 13.536 -5.003 -4.247 1.00 0.00 H new ATOM 0 HB2 TYR A 3 11.985 -3.681 -2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 3 11.613 -5.385 -2.285 1.00 0.00 H new ATOM 0 HD1 TYR A 3 14.558 -3.053 -2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 3 13.054 -6.981 -1.317 1.00 0.00 H new ATOM 0 HE1 TYR A 3 16.699 -3.624 -1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 3 15.194 -7.552 -0.202 1.00 0.00 H new ATOM 0 HH TYR A 3 17.236 -6.866 0.386 1.00 0.00 H new ATOM 45 N THR A 4 10.297 -5.386 -4.216 1.00 0.00 N ATOM 46 CA THR A 4 9.202 -6.061 -4.977 1.00 0.00 C ATOM 47 C THR A 4 8.024 -6.415 -4.059 1.00 0.00 C ATOM 48 O THR A 4 7.336 -7.377 -4.280 1.00 0.00 O ATOM 49 CB THR A 4 9.745 -7.353 -5.580 1.00 0.00 C ATOM 50 OG1 THR A 4 8.673 -8.126 -6.095 1.00 0.00 O ATOM 51 CG2 THR A 4 10.479 -8.152 -4.501 1.00 0.00 C ATOM 0 H THR A 4 10.056 -5.086 -3.271 1.00 0.00 H new ATOM 0 HA THR A 4 8.852 -5.379 -5.752 1.00 0.00 H new ATOM 0 HB THR A 4 10.437 -7.112 -6.387 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.101 -8.424 -5.357 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.867 -9.075 -4.932 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.306 -7.560 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.788 -8.391 -3.692 1.00 0.00 H new ATOM 59 N VAL A 5 7.782 -5.659 -3.035 1.00 0.00 N ATOM 60 CA VAL A 5 6.661 -6.010 -2.120 1.00 0.00 C ATOM 61 C VAL A 5 5.331 -5.377 -2.576 1.00 0.00 C ATOM 62 O VAL A 5 4.900 -5.575 -3.694 1.00 0.00 O ATOM 63 CB VAL A 5 7.012 -5.569 -0.696 1.00 0.00 C ATOM 64 CG1 VAL A 5 6.092 -6.278 0.299 1.00 0.00 C ATOM 65 CG2 VAL A 5 8.463 -5.949 -0.383 1.00 0.00 C ATOM 0 H VAL A 5 8.304 -4.818 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 5 6.523 -7.091 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 5 6.886 -4.489 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.342 -5.964 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.055 -6.019 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.223 -7.357 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.711 -5.634 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.582 -7.029 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.129 -5.454 -1.090 1.00 0.00 H new ATOM 75 N LYS A 6 4.664 -4.648 -1.707 1.00 0.00 N ATOM 76 CA LYS A 6 3.350 -4.028 -2.062 1.00 0.00 C ATOM 77 C LYS A 6 2.240 -5.054 -1.783 1.00 0.00 C ATOM 78 O LYS A 6 1.861 -5.227 -0.651 1.00 0.00 O ATOM 79 CB LYS A 6 3.366 -3.588 -3.525 1.00 0.00 C ATOM 80 CG LYS A 6 2.480 -2.360 -3.708 1.00 0.00 C ATOM 81 CD LYS A 6 1.007 -2.738 -3.548 1.00 0.00 C ATOM 82 CE LYS A 6 0.343 -1.770 -2.570 1.00 0.00 C ATOM 83 NZ LYS A 6 -0.855 -1.153 -3.212 1.00 0.00 N ATOM 0 H LYS A 6 4.981 -4.456 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 6 3.163 -3.139 -1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.386 -3.360 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.014 -4.400 -4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.748 -1.598 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.646 -1.927 -4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.503 -2.701 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.919 -3.761 -3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.050 -2.298 -1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.049 -0.995 -2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.104 -0.276 -2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.643 -0.936 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.654 -1.817 -3.166 1.00 0.00 H new ATOM 97 N LEU A 7 1.752 -5.757 -2.785 1.00 0.00 N ATOM 98 CA LEU A 7 0.701 -6.813 -2.571 1.00 0.00 C ATOM 99 C LEU A 7 -0.691 -6.391 -3.056 1.00 0.00 C ATOM 100 O LEU A 7 -1.322 -7.112 -3.796 1.00 0.00 O ATOM 101 CB LEU A 7 0.599 -7.227 -1.097 1.00 0.00 C ATOM 102 CG LEU A 7 -0.355 -8.416 -0.952 1.00 0.00 C ATOM 103 CD1 LEU A 7 -0.164 -9.397 -2.116 1.00 0.00 C ATOM 104 CD2 LEU A 7 -0.067 -9.133 0.366 1.00 0.00 C ATOM 0 H LEU A 7 2.042 -5.642 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 7 1.032 -7.660 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.585 -7.493 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.242 -6.389 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.382 -8.051 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.849 -10.237 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.370 -8.889 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.863 -9.763 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.744 -9.981 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.963 -9.488 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.215 -8.442 1.196 1.00 0.00 H new ATOM 116 N ILE A 8 -1.208 -5.279 -2.624 1.00 0.00 N ATOM 117 CA ILE A 8 -2.591 -4.903 -3.053 1.00 0.00 C ATOM 118 C ILE A 8 -3.571 -5.893 -2.406 1.00 0.00 C ATOM 119 O ILE A 8 -3.616 -6.013 -1.198 1.00 0.00 O ATOM 120 CB ILE A 8 -2.726 -4.972 -4.576 1.00 0.00 C ATOM 121 CG1 ILE A 8 -1.544 -4.257 -5.226 1.00 0.00 C ATOM 122 CG2 ILE A 8 -4.038 -4.295 -4.999 1.00 0.00 C ATOM 123 CD1 ILE A 8 -1.802 -4.092 -6.725 1.00 0.00 C ATOM 0 H ILE A 8 -0.745 -4.618 -2.000 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.806 -3.881 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.735 -6.014 -4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.397 -3.281 -4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.629 -4.827 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.138 -4.342 -6.083 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.879 -4.809 -4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.029 -3.253 -4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.956 -3.581 -7.186 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.927 -5.073 -7.183 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.707 -3.504 -6.876 1.00 0.00 H new ATOM 135 N THR A 9 -4.363 -6.606 -3.176 1.00 0.00 N ATOM 136 CA THR A 9 -5.315 -7.565 -2.549 1.00 0.00 C ATOM 137 C THR A 9 -5.454 -8.767 -3.458 1.00 0.00 C ATOM 138 O THR A 9 -4.859 -8.792 -4.518 1.00 0.00 O ATOM 139 CB THR A 9 -6.671 -6.875 -2.460 1.00 0.00 C ATOM 140 OG1 THR A 9 -6.614 -5.641 -3.162 1.00 0.00 O ATOM 141 CG2 THR A 9 -7.018 -6.627 -1.004 1.00 0.00 C ATOM 0 H THR A 9 -4.388 -6.563 -4.195 1.00 0.00 H new ATOM 0 HA THR A 9 -4.965 -7.874 -1.564 1.00 0.00 H new ATOM 0 HB THR A 9 -7.438 -7.509 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.485 -5.194 -3.109 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.988 -6.133 -0.940 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.059 -7.578 -0.473 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.257 -5.991 -0.552 1.00 0.00 H new ATOM 149 N PRO A 10 -6.311 -9.704 -3.092 1.00 0.00 N ATOM 150 CA PRO A 10 -6.584 -10.824 -3.973 1.00 0.00 C ATOM 151 C PRO A 10 -6.835 -10.203 -5.345 1.00 0.00 C ATOM 152 O PRO A 10 -6.564 -10.777 -6.382 1.00 0.00 O ATOM 153 CB PRO A 10 -7.826 -11.498 -3.384 1.00 0.00 C ATOM 154 CG PRO A 10 -8.060 -10.872 -1.990 1.00 0.00 C ATOM 155 CD PRO A 10 -7.046 -9.730 -1.824 1.00 0.00 C ATOM 0 HA PRO A 10 -5.792 -11.567 -4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.692 -11.342 -4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.679 -12.575 -3.304 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.079 -10.496 -1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.929 -11.619 -1.207 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.546 -8.780 -1.635 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.378 -9.912 -0.982 1.00 0.00 H new ATOM 163 N ASP A 11 -7.269 -8.960 -5.318 1.00 0.00 N ATOM 164 CA ASP A 11 -7.457 -8.186 -6.544 1.00 0.00 C ATOM 165 C ASP A 11 -6.233 -7.275 -6.627 1.00 0.00 C ATOM 166 O ASP A 11 -6.285 -6.088 -6.370 1.00 0.00 O ATOM 167 CB ASP A 11 -8.732 -7.344 -6.449 1.00 0.00 C ATOM 168 CG ASP A 11 -9.110 -6.832 -7.840 1.00 0.00 C ATOM 169 OD1 ASP A 11 -9.016 -7.604 -8.780 1.00 0.00 O ATOM 170 OD2 ASP A 11 -9.490 -5.678 -7.941 1.00 0.00 O ATOM 0 H ASP A 11 -7.501 -8.456 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.557 -8.825 -7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.545 -7.941 -6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.577 -6.505 -5.771 1.00 0.00 H new ATOM 175 N GLY A 12 -5.108 -7.838 -6.911 1.00 0.00 N ATOM 176 CA GLY A 12 -3.882 -7.029 -6.973 1.00 0.00 C ATOM 177 C GLY A 12 -2.702 -7.795 -6.389 1.00 0.00 C ATOM 178 O GLY A 12 -2.710 -8.183 -5.240 1.00 0.00 O ATOM 0 H GLY A 12 -4.985 -8.832 -7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.671 -6.759 -8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.026 -6.099 -6.424 1.00 0.00 H new ATOM 182 N GLU A 13 -1.683 -7.983 -7.176 1.00 0.00 N ATOM 183 CA GLU A 13 -0.460 -8.685 -6.700 1.00 0.00 C ATOM 184 C GLU A 13 0.721 -7.780 -7.041 1.00 0.00 C ATOM 185 O GLU A 13 1.459 -8.021 -7.975 1.00 0.00 O ATOM 186 CB GLU A 13 -0.314 -10.030 -7.414 1.00 0.00 C ATOM 187 CG GLU A 13 -0.295 -11.158 -6.380 1.00 0.00 C ATOM 188 CD GLU A 13 0.878 -12.095 -6.664 1.00 0.00 C ATOM 189 OE1 GLU A 13 0.992 -12.549 -7.791 1.00 0.00 O ATOM 190 OE2 GLU A 13 1.647 -12.345 -5.750 1.00 0.00 O ATOM 0 H GLU A 13 -1.645 -7.674 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.510 -8.882 -5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.139 -10.175 -8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.605 -10.045 -8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.207 -10.743 -5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.233 -11.712 -6.415 1.00 0.00 H new ATOM 197 N SER A 14 0.866 -6.708 -6.315 1.00 0.00 N ATOM 198 CA SER A 14 1.953 -5.736 -6.613 1.00 0.00 C ATOM 199 C SER A 14 3.296 -6.209 -6.054 1.00 0.00 C ATOM 200 O SER A 14 3.377 -6.779 -4.984 1.00 0.00 O ATOM 201 CB SER A 14 1.592 -4.389 -5.992 1.00 0.00 C ATOM 202 OG SER A 14 2.718 -3.526 -6.058 1.00 0.00 O ATOM 0 H SER A 14 0.274 -6.462 -5.522 1.00 0.00 H new ATOM 0 HA SER A 14 2.052 -5.647 -7.695 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.748 -3.946 -6.521 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.283 -4.524 -4.955 1.00 0.00 H new ATOM 0 HG SER A 14 2.594 -2.881 -6.785 1.00 0.00 H new ATOM 208 N SER A 15 4.352 -5.963 -6.784 1.00 0.00 N ATOM 209 CA SER A 15 5.702 -6.376 -6.332 1.00 0.00 C ATOM 210 C SER A 15 6.675 -5.198 -6.502 1.00 0.00 C ATOM 211 O SER A 15 7.171 -4.946 -7.582 1.00 0.00 O ATOM 212 CB SER A 15 6.162 -7.547 -7.189 1.00 0.00 C ATOM 213 OG SER A 15 5.440 -7.541 -8.414 1.00 0.00 O ATOM 0 H SER A 15 4.330 -5.487 -7.686 1.00 0.00 H new ATOM 0 HA SER A 15 5.676 -6.671 -5.283 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.232 -7.473 -7.383 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.998 -8.486 -6.661 1.00 0.00 H new ATOM 0 HG SER A 15 5.734 -8.292 -8.971 1.00 0.00 H new ATOM 219 N ILE A 16 6.945 -4.472 -5.446 1.00 0.00 N ATOM 220 CA ILE A 16 7.868 -3.305 -5.544 1.00 0.00 C ATOM 221 C ILE A 16 8.578 -3.046 -4.206 1.00 0.00 C ATOM 222 O ILE A 16 9.782 -3.047 -4.132 1.00 0.00 O ATOM 223 CB ILE A 16 7.100 -2.051 -5.935 1.00 0.00 C ATOM 224 CG1 ILE A 16 5.605 -2.361 -5.953 1.00 0.00 C ATOM 225 CG2 ILE A 16 7.573 -1.570 -7.308 1.00 0.00 C ATOM 226 CD1 ILE A 16 5.172 -2.910 -7.312 1.00 0.00 C ATOM 0 H ILE A 16 6.562 -4.640 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 16 8.610 -3.541 -6.306 1.00 0.00 H new ATOM 0 HB ILE A 16 7.284 -1.258 -5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.372 -3.086 -5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.040 -1.457 -5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.023 -0.672 -7.588 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.639 -1.345 -7.267 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.395 -2.350 -8.048 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.103 -3.122 -7.295 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.384 -2.173 -8.086 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.720 -3.828 -7.525 1.00 0.00 H new ATOM 238 N GLU A 17 7.835 -2.804 -3.157 1.00 0.00 N ATOM 239 CA GLU A 17 8.451 -2.526 -1.815 1.00 0.00 C ATOM 240 C GLU A 17 8.833 -1.049 -1.706 1.00 0.00 C ATOM 241 O GLU A 17 8.713 -0.433 -0.667 1.00 0.00 O ATOM 242 CB GLU A 17 9.715 -3.355 -1.591 1.00 0.00 C ATOM 243 CG GLU A 17 10.184 -3.188 -0.146 1.00 0.00 C ATOM 244 CD GLU A 17 11.262 -4.230 0.157 1.00 0.00 C ATOM 245 OE1 GLU A 17 11.058 -5.381 -0.196 1.00 0.00 O ATOM 246 OE2 GLU A 17 12.267 -3.863 0.741 1.00 0.00 O ATOM 0 H GLU A 17 6.815 -2.786 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 17 7.708 -2.791 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.516 -4.406 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.499 -3.036 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.579 -2.184 0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.344 -3.307 0.538 1.00 0.00 H new ATOM 253 N CYS A 18 9.320 -0.468 -2.754 1.00 0.00 N ATOM 254 CA CYS A 18 9.719 0.958 -2.654 1.00 0.00 C ATOM 255 C CYS A 18 10.702 1.098 -1.483 1.00 0.00 C ATOM 256 O CYS A 18 10.916 2.172 -0.956 1.00 0.00 O ATOM 257 CB CYS A 18 8.470 1.805 -2.394 1.00 0.00 C ATOM 258 SG CYS A 18 8.926 3.547 -2.213 1.00 0.00 S ATOM 0 H CYS A 18 9.459 -0.907 -3.664 1.00 0.00 H new ATOM 0 HA CYS A 18 10.192 1.295 -3.576 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.765 1.689 -3.217 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.967 1.457 -1.492 1.00 0.00 H new ATOM 0 HG CYS A 18 10.063 3.635 -1.589 1.00 0.00 H new ATOM 264 N SER A 19 11.303 0.009 -1.071 1.00 0.00 N ATOM 265 CA SER A 19 12.268 0.061 0.063 1.00 0.00 C ATOM 266 C SER A 19 13.487 0.872 -0.353 1.00 0.00 C ATOM 267 O SER A 19 13.583 1.331 -1.474 1.00 0.00 O ATOM 268 CB SER A 19 12.702 -1.358 0.428 1.00 0.00 C ATOM 269 OG SER A 19 14.017 -1.327 0.968 1.00 0.00 O ATOM 0 H SER A 19 11.164 -0.917 -1.476 1.00 0.00 H new ATOM 0 HA SER A 19 11.794 0.528 0.926 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.010 -1.786 1.153 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.675 -1.997 -0.455 1.00 0.00 H new ATOM 0 HG SER A 19 14.274 -2.228 1.254 1.00 0.00 H new ATOM 275 N ASP A 20 14.422 1.059 0.539 1.00 0.00 N ATOM 276 CA ASP A 20 15.627 1.847 0.187 1.00 0.00 C ATOM 277 C ASP A 20 15.190 3.096 -0.575 1.00 0.00 C ATOM 278 O ASP A 20 15.929 3.641 -1.370 1.00 0.00 O ATOM 279 CB ASP A 20 16.547 1.002 -0.698 1.00 0.00 C ATOM 280 CG ASP A 20 18.004 1.388 -0.442 1.00 0.00 C ATOM 281 OD1 ASP A 20 18.302 2.570 -0.496 1.00 0.00 O ATOM 282 OD2 ASP A 20 18.800 0.495 -0.199 1.00 0.00 O ATOM 0 H ASP A 20 14.399 0.699 1.493 1.00 0.00 H new ATOM 0 HA ASP A 20 16.164 2.133 1.092 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.399 -0.057 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.299 1.155 -1.748 1.00 0.00 H new ATOM 287 N ASP A 21 13.985 3.549 -0.347 1.00 0.00 N ATOM 288 CA ASP A 21 13.504 4.756 -1.072 1.00 0.00 C ATOM 289 C ASP A 21 13.427 4.416 -2.560 1.00 0.00 C ATOM 290 O ASP A 21 14.432 4.125 -3.177 1.00 0.00 O ATOM 291 CB ASP A 21 14.509 5.902 -0.874 1.00 0.00 C ATOM 292 CG ASP A 21 15.284 5.703 0.434 1.00 0.00 C ATOM 293 OD1 ASP A 21 14.714 5.152 1.360 1.00 0.00 O ATOM 294 OD2 ASP A 21 16.434 6.107 0.483 1.00 0.00 O ATOM 0 H ASP A 21 13.319 3.137 0.306 1.00 0.00 H new ATOM 0 HA ASP A 21 12.527 5.060 -0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.202 5.938 -1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.984 6.857 -0.853 1.00 0.00 H new ATOM 299 N THR A 22 12.265 4.440 -3.158 1.00 0.00 N ATOM 300 CA THR A 22 12.210 4.102 -4.600 1.00 0.00 C ATOM 301 C THR A 22 10.883 4.521 -5.240 1.00 0.00 C ATOM 302 O THR A 22 10.833 5.493 -5.967 1.00 0.00 O ATOM 303 CB THR A 22 12.424 2.599 -4.780 1.00 0.00 C ATOM 304 OG1 THR A 22 13.753 2.270 -4.403 1.00 0.00 O ATOM 305 CG2 THR A 22 12.198 2.216 -6.241 1.00 0.00 C ATOM 0 H THR A 22 11.374 4.674 -2.719 1.00 0.00 H new ATOM 0 HA THR A 22 13.003 4.656 -5.103 1.00 0.00 H new ATOM 0 HB THR A 22 11.718 2.053 -4.155 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.278 3.092 -4.305 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.352 1.144 -6.364 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.179 2.472 -6.531 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.902 2.758 -6.872 1.00 0.00 H new ATOM 313 N TYR A 23 9.809 3.800 -5.025 1.00 0.00 N ATOM 314 CA TYR A 23 8.548 4.203 -5.689 1.00 0.00 C ATOM 315 C TYR A 23 7.334 3.964 -4.787 1.00 0.00 C ATOM 316 O TYR A 23 6.711 2.922 -4.846 1.00 0.00 O ATOM 317 CB TYR A 23 8.397 3.395 -6.971 1.00 0.00 C ATOM 318 CG TYR A 23 8.983 4.168 -8.129 1.00 0.00 C ATOM 319 CD1 TYR A 23 10.346 4.058 -8.429 1.00 0.00 C ATOM 320 CD2 TYR A 23 8.160 4.994 -8.906 1.00 0.00 C ATOM 321 CE1 TYR A 23 10.887 4.775 -9.503 1.00 0.00 C ATOM 322 CE2 TYR A 23 8.701 5.711 -9.980 1.00 0.00 C ATOM 323 CZ TYR A 23 10.064 5.601 -10.278 1.00 0.00 C ATOM 324 OH TYR A 23 10.599 6.308 -11.335 1.00 0.00 O ATOM 0 H TYR A 23 9.757 2.971 -4.432 1.00 0.00 H new ATOM 0 HA TYR A 23 8.593 5.270 -5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.902 2.434 -6.869 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.344 3.183 -7.158 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.980 3.420 -7.832 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.108 5.078 -8.676 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.939 4.691 -9.734 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.067 6.349 -10.578 1.00 0.00 H new ATOM 0 HH TYR A 23 9.893 6.831 -11.769 1.00 0.00 H new ATOM 334 N ILE A 24 6.998 4.942 -3.978 1.00 0.00 N ATOM 335 CA ILE A 24 5.821 4.849 -3.044 1.00 0.00 C ATOM 336 C ILE A 24 4.616 4.166 -3.705 1.00 0.00 C ATOM 337 O ILE A 24 4.697 3.609 -4.780 1.00 0.00 O ATOM 338 CB ILE A 24 5.413 6.266 -2.629 1.00 0.00 C ATOM 339 CG1 ILE A 24 5.684 7.238 -3.782 1.00 0.00 C ATOM 340 CG2 ILE A 24 6.224 6.696 -1.405 1.00 0.00 C ATOM 341 CD1 ILE A 24 4.472 8.155 -3.972 1.00 0.00 C ATOM 0 H ILE A 24 7.503 5.826 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 24 6.119 4.251 -2.183 1.00 0.00 H new ATOM 0 HB ILE A 24 4.351 6.276 -2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.573 7.832 -3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.882 6.684 -4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.932 7.704 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.032 6.008 -0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.286 6.682 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.664 8.847 -4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.593 7.553 -4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.295 8.719 -3.056 1.00 0.00 H new ATOM 353 N LEU A 25 3.481 4.218 -3.054 1.00 0.00 N ATOM 354 CA LEU A 25 2.254 3.588 -3.620 1.00 0.00 C ATOM 355 C LEU A 25 2.231 3.809 -5.132 1.00 0.00 C ATOM 356 O LEU A 25 1.707 3.006 -5.881 1.00 0.00 O ATOM 357 CB LEU A 25 1.012 4.216 -2.984 1.00 0.00 C ATOM 358 CG LEU A 25 -0.076 3.151 -2.816 1.00 0.00 C ATOM 359 CD1 LEU A 25 0.487 1.950 -2.057 1.00 0.00 C ATOM 360 CD2 LEU A 25 -1.248 3.741 -2.028 1.00 0.00 C ATOM 0 H LEU A 25 3.353 4.673 -2.150 1.00 0.00 H new ATOM 0 HA LEU A 25 2.258 2.519 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.266 4.647 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.644 5.030 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.417 2.829 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.291 1.196 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.322 1.526 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.832 2.270 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.023 2.984 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.901 4.064 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.656 4.596 -2.568 1.00 0.00 H new ATOM 372 N ASP A 26 2.821 4.886 -5.583 1.00 0.00 N ATOM 373 CA ASP A 26 2.867 5.159 -7.040 1.00 0.00 C ATOM 374 C ASP A 26 3.216 3.869 -7.781 1.00 0.00 C ATOM 375 O ASP A 26 2.459 3.393 -8.597 1.00 0.00 O ATOM 376 CB ASP A 26 3.933 6.219 -7.329 1.00 0.00 C ATOM 377 CG ASP A 26 3.652 6.870 -8.683 1.00 0.00 C ATOM 378 OD1 ASP A 26 3.245 6.160 -9.588 1.00 0.00 O ATOM 379 OD2 ASP A 26 3.846 8.070 -8.794 1.00 0.00 O ATOM 0 H ASP A 26 3.273 5.588 -4.997 1.00 0.00 H new ATOM 0 HA ASP A 26 1.896 5.524 -7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.932 6.974 -6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.923 5.763 -7.331 1.00 0.00 H new ATOM 384 N ALA A 27 4.344 3.272 -7.514 1.00 0.00 N ATOM 385 CA ALA A 27 4.659 2.016 -8.240 1.00 0.00 C ATOM 386 C ALA A 27 3.638 0.955 -7.846 1.00 0.00 C ATOM 387 O ALA A 27 3.265 0.103 -8.629 1.00 0.00 O ATOM 388 CB ALA A 27 6.051 1.528 -7.851 1.00 0.00 C ATOM 0 H ALA A 27 5.043 3.590 -6.843 1.00 0.00 H new ATOM 0 HA ALA A 27 4.626 2.198 -9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.276 0.606 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.788 2.288 -8.110 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.084 1.341 -6.778 1.00 0.00 H new ATOM 394 N ALA A 28 3.209 0.992 -6.620 1.00 0.00 N ATOM 395 CA ALA A 28 2.251 -0.019 -6.122 1.00 0.00 C ATOM 396 C ALA A 28 0.913 0.008 -6.876 1.00 0.00 C ATOM 397 O ALA A 28 0.760 -0.586 -7.931 1.00 0.00 O ATOM 398 CB ALA A 28 1.999 0.240 -4.638 1.00 0.00 C ATOM 0 H ALA A 28 3.488 1.692 -5.933 1.00 0.00 H new ATOM 0 HA ALA A 28 2.690 -1.003 -6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.294 -0.497 -4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.938 0.163 -4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.585 1.240 -4.508 1.00 0.00 H new ATOM 404 N GLU A 29 -0.075 0.648 -6.309 1.00 0.00 N ATOM 405 CA GLU A 29 -1.424 0.660 -6.937 1.00 0.00 C ATOM 406 C GLU A 29 -1.500 1.639 -8.107 1.00 0.00 C ATOM 407 O GLU A 29 -2.552 1.829 -8.686 1.00 0.00 O ATOM 408 CB GLU A 29 -2.456 1.039 -5.872 1.00 0.00 C ATOM 409 CG GLU A 29 -3.848 0.614 -6.335 1.00 0.00 C ATOM 410 CD GLU A 29 -4.536 -0.181 -5.224 1.00 0.00 C ATOM 411 OE1 GLU A 29 -4.107 -0.065 -4.087 1.00 0.00 O ATOM 412 OE2 GLU A 29 -5.477 -0.895 -5.527 1.00 0.00 O ATOM 0 H GLU A 29 -0.003 1.165 -5.433 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.630 -0.334 -7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.212 0.555 -4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.433 2.114 -5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.442 1.492 -6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.773 0.007 -7.238 1.00 0.00 H new ATOM 419 N GLU A 30 -0.414 2.240 -8.497 1.00 0.00 N ATOM 420 CA GLU A 30 -0.482 3.159 -9.650 1.00 0.00 C ATOM 421 C GLU A 30 0.112 2.440 -10.845 1.00 0.00 C ATOM 422 O GLU A 30 -0.412 2.470 -11.940 1.00 0.00 O ATOM 423 CB GLU A 30 0.304 4.437 -9.378 1.00 0.00 C ATOM 424 CG GLU A 30 -0.503 5.637 -9.857 1.00 0.00 C ATOM 425 CD GLU A 30 0.052 6.131 -11.194 1.00 0.00 C ATOM 426 OE1 GLU A 30 1.060 5.599 -11.629 1.00 0.00 O ATOM 427 OE2 GLU A 30 -0.543 7.031 -11.763 1.00 0.00 O ATOM 0 H GLU A 30 0.506 2.133 -8.070 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.518 3.440 -9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.515 4.528 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.265 4.403 -9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.552 5.362 -9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.459 6.436 -9.117 1.00 0.00 H new ATOM 434 N ALA A 31 1.207 1.781 -10.626 1.00 0.00 N ATOM 435 CA ALA A 31 1.855 1.031 -11.713 1.00 0.00 C ATOM 436 C ALA A 31 0.984 -0.172 -12.074 1.00 0.00 C ATOM 437 O ALA A 31 1.148 -0.783 -13.112 1.00 0.00 O ATOM 438 CB ALA A 31 3.215 0.547 -11.229 1.00 0.00 C ATOM 0 H ALA A 31 1.683 1.733 -9.725 1.00 0.00 H new ATOM 0 HA ALA A 31 1.980 1.667 -12.590 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.707 -0.011 -12.025 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.829 1.404 -10.954 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.084 -0.099 -10.361 1.00 0.00 H new ATOM 444 N GLY A 32 0.068 -0.527 -11.213 1.00 0.00 N ATOM 445 CA GLY A 32 -0.804 -1.704 -11.499 1.00 0.00 C ATOM 446 C GLY A 32 -2.195 -1.247 -11.957 1.00 0.00 C ATOM 447 O GLY A 32 -2.697 -1.694 -12.969 1.00 0.00 O ATOM 0 H GLY A 32 -0.114 -0.055 -10.327 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.347 -2.323 -12.270 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.894 -2.322 -10.606 1.00 0.00 H new ATOM 451 N LEU A 33 -2.834 -0.383 -11.216 1.00 0.00 N ATOM 452 CA LEU A 33 -4.189 0.066 -11.604 1.00 0.00 C ATOM 453 C LEU A 33 -4.304 1.585 -11.465 1.00 0.00 C ATOM 454 O LEU A 33 -5.369 2.117 -11.227 1.00 0.00 O ATOM 455 CB LEU A 33 -5.206 -0.605 -10.692 1.00 0.00 C ATOM 456 CG LEU A 33 -4.602 -0.746 -9.301 1.00 0.00 C ATOM 457 CD1 LEU A 33 -5.714 -0.692 -8.252 1.00 0.00 C ATOM 458 CD2 LEU A 33 -3.867 -2.084 -9.193 1.00 0.00 C ATOM 0 H LEU A 33 -2.470 0.029 -10.357 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.377 -0.205 -12.643 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.121 -0.014 -10.648 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.478 -1.584 -11.086 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.899 0.069 -9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.281 -0.793 -7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.237 0.262 -8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.418 -1.506 -8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.436 -2.183 -8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.569 -2.900 -9.367 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.072 -2.124 -9.938 1.00 0.00 H new ATOM 470 N ASP A 34 -3.215 2.275 -11.654 1.00 0.00 N ATOM 471 CA ASP A 34 -3.207 3.756 -11.588 1.00 0.00 C ATOM 472 C ASP A 34 -4.260 4.284 -10.599 1.00 0.00 C ATOM 473 O ASP A 34 -5.418 4.439 -10.930 1.00 0.00 O ATOM 474 CB ASP A 34 -3.480 4.238 -12.999 1.00 0.00 C ATOM 475 CG ASP A 34 -4.023 5.669 -12.991 1.00 0.00 C ATOM 476 OD1 ASP A 34 -3.363 6.529 -12.431 1.00 0.00 O ATOM 477 OD2 ASP A 34 -5.088 5.881 -13.547 1.00 0.00 O ATOM 0 H ASP A 34 -2.306 1.858 -11.857 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.250 4.128 -11.222 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.562 4.196 -13.586 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.198 3.575 -13.482 1.00 0.00 H new ATOM 482 N LEU A 35 -3.851 4.575 -9.388 1.00 0.00 N ATOM 483 CA LEU A 35 -4.812 5.108 -8.376 1.00 0.00 C ATOM 484 C LEU A 35 -4.117 6.169 -7.503 1.00 0.00 C ATOM 485 O LEU A 35 -4.435 7.336 -7.612 1.00 0.00 O ATOM 486 CB LEU A 35 -5.349 3.965 -7.512 1.00 0.00 C ATOM 487 CG LEU A 35 -6.633 3.415 -8.138 1.00 0.00 C ATOM 488 CD1 LEU A 35 -7.225 2.340 -7.224 1.00 0.00 C ATOM 489 CD2 LEU A 35 -7.647 4.548 -8.310 1.00 0.00 C ATOM 0 H LEU A 35 -2.892 4.466 -9.058 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.652 5.576 -8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.603 3.174 -7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.548 4.321 -6.501 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.403 2.982 -9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.139 1.948 -7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.505 1.531 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.453 2.775 -6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.560 4.154 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.876 4.982 -7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.228 5.316 -8.960 1.00 0.00 H new ATOM 501 N PRO A 36 -3.183 5.756 -6.672 1.00 0.00 N ATOM 502 CA PRO A 36 -2.451 6.702 -5.810 1.00 0.00 C ATOM 503 C PRO A 36 -1.816 7.797 -6.669 1.00 0.00 C ATOM 504 O PRO A 36 -0.678 7.697 -7.081 1.00 0.00 O ATOM 505 CB PRO A 36 -1.372 5.858 -5.121 1.00 0.00 C ATOM 506 CG PRO A 36 -1.561 4.391 -5.580 1.00 0.00 C ATOM 507 CD PRO A 36 -2.775 4.345 -6.519 1.00 0.00 C ATOM 0 HA PRO A 36 -3.098 7.197 -5.086 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.378 6.217 -5.386 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.460 5.935 -4.037 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.668 4.033 -6.093 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.718 3.739 -4.721 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.516 3.901 -7.480 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.580 3.743 -6.097 1.00 0.00 H new ATOM 515 N TYR A 37 -2.548 8.841 -6.948 1.00 0.00 N ATOM 516 CA TYR A 37 -1.994 9.938 -7.785 1.00 0.00 C ATOM 517 C TYR A 37 -2.849 11.193 -7.605 1.00 0.00 C ATOM 518 O TYR A 37 -2.895 12.053 -8.462 1.00 0.00 O ATOM 519 CB TYR A 37 -2.014 9.512 -9.255 1.00 0.00 C ATOM 520 CG TYR A 37 -0.733 9.946 -9.922 1.00 0.00 C ATOM 521 CD1 TYR A 37 0.499 9.685 -9.310 1.00 0.00 C ATOM 522 CD2 TYR A 37 -0.776 10.609 -11.152 1.00 0.00 C ATOM 523 CE1 TYR A 37 1.687 10.088 -9.929 1.00 0.00 C ATOM 524 CE2 TYR A 37 0.413 11.012 -11.774 1.00 0.00 C ATOM 525 CZ TYR A 37 1.644 10.752 -11.161 1.00 0.00 C ATOM 526 OH TYR A 37 2.816 11.151 -11.772 1.00 0.00 O ATOM 0 H TYR A 37 -3.507 8.980 -6.631 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.969 10.150 -7.481 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.127 8.430 -9.330 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -2.870 9.958 -9.762 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.532 9.172 -8.360 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.727 10.811 -11.623 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.637 9.887 -9.457 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.380 11.523 -12.725 1.00 0.00 H new ATOM 0 HH TYR A 37 2.608 11.596 -12.620 1.00 0.00 H new ATOM 536 N SER A 38 -3.526 11.303 -6.496 1.00 0.00 N ATOM 537 CA SER A 38 -4.378 12.501 -6.259 1.00 0.00 C ATOM 538 C SER A 38 -3.511 13.644 -5.733 1.00 0.00 C ATOM 539 O SER A 38 -3.375 14.673 -6.365 1.00 0.00 O ATOM 540 CB SER A 38 -5.457 12.165 -5.231 1.00 0.00 C ATOM 541 OG SER A 38 -6.094 13.363 -4.809 1.00 0.00 O ATOM 0 H SER A 38 -3.526 10.615 -5.743 1.00 0.00 H new ATOM 0 HA SER A 38 -4.850 12.802 -7.194 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.189 11.484 -5.665 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.014 11.654 -4.376 1.00 0.00 H new ATOM 0 HG SER A 38 -6.788 13.150 -4.150 1.00 0.00 H new ATOM 547 N CYS A 39 -2.919 13.476 -4.582 1.00 0.00 N ATOM 548 CA CYS A 39 -2.063 14.558 -4.026 1.00 0.00 C ATOM 549 C CYS A 39 -0.587 14.191 -4.206 1.00 0.00 C ATOM 550 O CYS A 39 0.265 15.049 -4.317 1.00 0.00 O ATOM 551 CB CYS A 39 -2.375 14.754 -2.535 1.00 0.00 C ATOM 552 SG CYS A 39 -1.633 13.419 -1.555 1.00 0.00 S ATOM 0 H CYS A 39 -2.992 12.638 -4.005 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.268 15.488 -4.557 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.991 15.717 -2.200 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.454 14.770 -2.381 1.00 0.00 H new ATOM 557 N ARG A 40 -0.279 12.922 -4.229 1.00 0.00 N ATOM 558 CA ARG A 40 1.143 12.508 -4.395 1.00 0.00 C ATOM 559 C ARG A 40 1.979 13.127 -3.273 1.00 0.00 C ATOM 560 O ARG A 40 2.579 14.170 -3.438 1.00 0.00 O ATOM 561 CB ARG A 40 1.666 12.993 -5.750 1.00 0.00 C ATOM 562 CG ARG A 40 2.303 11.823 -6.502 1.00 0.00 C ATOM 563 CD ARG A 40 3.125 12.357 -7.678 1.00 0.00 C ATOM 564 NE ARG A 40 4.056 11.294 -8.156 1.00 0.00 N ATOM 565 CZ ARG A 40 4.644 11.410 -9.316 1.00 0.00 C ATOM 566 NH1 ARG A 40 4.426 12.460 -10.063 1.00 0.00 N ATOM 567 NH2 ARG A 40 5.455 10.475 -9.732 1.00 0.00 N ATOM 0 H ARG A 40 -0.948 12.157 -4.140 1.00 0.00 H new ATOM 0 HA ARG A 40 1.215 11.421 -4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.850 13.414 -6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.398 13.788 -5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.941 11.249 -5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.530 11.145 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.464 12.667 -8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.689 13.238 -7.371 1.00 0.00 H new ATOM 0 HE ARG A 40 4.234 10.475 -7.575 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.794 13.193 -9.740 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.888 12.546 -10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.629 9.655 -9.151 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.915 10.565 -10.638 1.00 0.00 H new ATOM 581 N ALA A 41 2.019 12.496 -2.132 1.00 0.00 N ATOM 582 CA ALA A 41 2.813 13.055 -1.001 1.00 0.00 C ATOM 583 C ALA A 41 2.105 14.297 -0.457 1.00 0.00 C ATOM 584 O ALA A 41 2.647 15.385 -0.463 1.00 0.00 O ATOM 585 CB ALA A 41 4.207 13.440 -1.497 1.00 0.00 C ATOM 0 H ALA A 41 1.537 11.619 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 41 2.904 12.308 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.787 13.849 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.710 12.557 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.119 14.189 -2.284 1.00 0.00 H new ATOM 591 N GLY A 42 0.896 14.147 0.013 1.00 0.00 N ATOM 592 CA GLY A 42 0.157 15.321 0.553 1.00 0.00 C ATOM 593 C GLY A 42 -0.606 14.917 1.814 1.00 0.00 C ATOM 594 O GLY A 42 -0.038 14.400 2.756 1.00 0.00 O ATOM 0 H GLY A 42 0.390 13.262 0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.854 16.127 0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.537 15.702 -0.197 1.00 0.00 H new ATOM 598 N ALA A 43 -1.890 15.149 1.842 1.00 0.00 N ATOM 599 CA ALA A 43 -2.687 14.782 3.045 1.00 0.00 C ATOM 600 C ALA A 43 -4.114 14.417 2.625 1.00 0.00 C ATOM 601 O ALA A 43 -5.073 15.011 3.078 1.00 0.00 O ATOM 602 CB ALA A 43 -2.728 15.966 4.013 1.00 0.00 C ATOM 0 H ALA A 43 -2.421 15.577 1.083 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.224 13.926 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.312 15.696 4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.713 16.224 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.189 16.823 3.521 1.00 0.00 H new ATOM 608 N CYS A 44 -4.266 13.446 1.765 1.00 0.00 N ATOM 609 CA CYS A 44 -5.635 13.053 1.327 1.00 0.00 C ATOM 610 C CYS A 44 -5.968 11.666 1.887 1.00 0.00 C ATOM 611 O CYS A 44 -5.386 11.226 2.858 1.00 0.00 O ATOM 612 CB CYS A 44 -5.704 13.039 -0.210 1.00 0.00 C ATOM 613 SG CYS A 44 -4.940 11.530 -0.865 1.00 0.00 S ATOM 0 H CYS A 44 -3.504 12.910 1.349 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.362 13.773 1.703 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.743 13.098 -0.534 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.195 13.915 -0.611 1.00 0.00 H new ATOM 618 N SER A 45 -6.899 10.977 1.289 1.00 0.00 N ATOM 619 CA SER A 45 -7.260 9.623 1.801 1.00 0.00 C ATOM 620 C SER A 45 -7.783 8.763 0.650 1.00 0.00 C ATOM 621 O SER A 45 -8.667 7.949 0.824 1.00 0.00 O ATOM 622 CB SER A 45 -8.347 9.762 2.869 1.00 0.00 C ATOM 623 OG SER A 45 -8.839 11.096 2.863 1.00 0.00 O ATOM 0 H SER A 45 -7.424 11.289 0.472 1.00 0.00 H new ATOM 0 HA SER A 45 -6.379 9.149 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.159 9.061 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.943 9.515 3.851 1.00 0.00 H new ATOM 0 HG SER A 45 -9.537 11.190 3.544 1.00 0.00 H new ATOM 629 N THR A 46 -7.243 8.935 -0.525 1.00 0.00 N ATOM 630 CA THR A 46 -7.711 8.126 -1.685 1.00 0.00 C ATOM 631 C THR A 46 -6.863 6.858 -1.811 1.00 0.00 C ATOM 632 O THR A 46 -7.377 5.773 -2.001 1.00 0.00 O ATOM 633 CB THR A 46 -7.587 8.954 -2.967 1.00 0.00 C ATOM 634 OG1 THR A 46 -7.612 10.337 -2.639 1.00 0.00 O ATOM 635 CG2 THR A 46 -8.752 8.628 -3.900 1.00 0.00 C ATOM 0 H THR A 46 -6.498 9.601 -0.732 1.00 0.00 H new ATOM 0 HA THR A 46 -8.753 7.846 -1.530 1.00 0.00 H new ATOM 0 HB THR A 46 -6.648 8.715 -3.466 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.531 10.869 -3.458 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.663 9.218 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.732 7.567 -4.150 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.693 8.866 -3.404 1.00 0.00 H new ATOM 643 N CYS A 47 -5.566 6.983 -1.714 1.00 0.00 N ATOM 644 CA CYS A 47 -4.692 5.781 -1.841 1.00 0.00 C ATOM 645 C CYS A 47 -4.548 5.095 -0.477 1.00 0.00 C ATOM 646 O CYS A 47 -3.471 4.694 -0.085 1.00 0.00 O ATOM 647 CB CYS A 47 -3.315 6.200 -2.372 1.00 0.00 C ATOM 648 SG CYS A 47 -2.342 6.979 -1.056 1.00 0.00 S ATOM 0 H CYS A 47 -5.075 7.863 -1.553 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.143 5.078 -2.541 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.786 5.328 -2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.435 6.894 -3.204 1.00 0.00 H new ATOM 653 N ALA A 48 -5.629 4.952 0.246 1.00 0.00 N ATOM 654 CA ALA A 48 -5.555 4.289 1.580 1.00 0.00 C ATOM 655 C ALA A 48 -4.646 3.059 1.490 1.00 0.00 C ATOM 656 O ALA A 48 -4.366 2.564 0.416 1.00 0.00 O ATOM 657 CB ALA A 48 -6.958 3.856 2.012 1.00 0.00 C ATOM 0 H ALA A 48 -6.559 5.266 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.149 4.988 2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.905 3.371 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.605 4.731 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.364 3.157 1.281 1.00 0.00 H new ATOM 663 N GLY A 49 -4.177 2.566 2.604 1.00 0.00 N ATOM 664 CA GLY A 49 -3.282 1.376 2.566 1.00 0.00 C ATOM 665 C GLY A 49 -3.279 0.681 3.925 1.00 0.00 C ATOM 666 O GLY A 49 -3.030 1.296 4.943 1.00 0.00 O ATOM 0 H GLY A 49 -4.374 2.934 3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.618 0.683 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.269 1.681 2.302 1.00 0.00 H new ATOM 670 N LYS A 50 -3.547 -0.600 3.962 1.00 0.00 N ATOM 671 CA LYS A 50 -3.541 -1.301 5.273 1.00 0.00 C ATOM 672 C LYS A 50 -2.119 -1.344 5.811 1.00 0.00 C ATOM 673 O LYS A 50 -1.336 -2.215 5.473 1.00 0.00 O ATOM 674 CB LYS A 50 -4.074 -2.718 5.128 1.00 0.00 C ATOM 675 CG LYS A 50 -3.918 -3.468 6.454 1.00 0.00 C ATOM 676 CD LYS A 50 -5.280 -3.564 7.143 1.00 0.00 C ATOM 677 CE LYS A 50 -5.095 -4.030 8.587 1.00 0.00 C ATOM 678 NZ LYS A 50 -5.960 -5.215 8.839 1.00 0.00 N ATOM 0 H LYS A 50 -3.766 -1.180 3.152 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.185 -0.759 5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.123 -2.694 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.534 -3.241 4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.517 -4.466 6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.208 -2.949 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.777 -2.594 7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.922 -4.261 6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.050 -4.283 8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.352 -3.225 9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.835 -5.533 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.955 -4.958 8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.694 -5.983 8.190 1.00 0.00 H new ATOM 692 N ILE A 51 -1.825 -0.394 6.654 1.00 0.00 N ATOM 693 CA ILE A 51 -0.507 -0.252 7.318 1.00 0.00 C ATOM 694 C ILE A 51 0.553 -1.232 6.828 1.00 0.00 C ATOM 695 O ILE A 51 0.459 -2.414 7.061 1.00 0.00 O ATOM 696 CB ILE A 51 -0.721 -0.455 8.815 1.00 0.00 C ATOM 697 CG1 ILE A 51 -1.007 -1.935 9.096 1.00 0.00 C ATOM 698 CG2 ILE A 51 -1.911 0.385 9.287 1.00 0.00 C ATOM 699 CD1 ILE A 51 0.266 -2.618 9.602 1.00 0.00 C ATOM 0 H ILE A 51 -2.491 0.331 6.921 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.127 0.741 7.077 1.00 0.00 H new ATOM 0 HB ILE A 51 0.177 -0.146 9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.801 -2.028 9.837 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.359 -2.426 8.189 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.060 0.237 10.357 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.713 1.439 9.091 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.809 0.078 8.750 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.060 -3.670 9.801 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.047 -2.538 8.846 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.599 -2.133 10.520 1.00 0.00 H new ATOM 711 N THR A 52 1.583 -0.694 6.201 1.00 0.00 N ATOM 712 CA THR A 52 2.761 -1.489 5.703 1.00 0.00 C ATOM 713 C THR A 52 3.219 -0.957 4.323 1.00 0.00 C ATOM 714 O THR A 52 4.077 -1.523 3.683 1.00 0.00 O ATOM 715 CB THR A 52 2.446 -2.993 5.610 1.00 0.00 C ATOM 716 OG1 THR A 52 1.142 -3.199 5.084 1.00 0.00 O ATOM 717 CG2 THR A 52 2.569 -3.635 6.998 1.00 0.00 C ATOM 0 H THR A 52 1.655 0.305 6.008 1.00 0.00 H new ATOM 0 HA THR A 52 3.567 -1.366 6.427 1.00 0.00 H new ATOM 0 HB THR A 52 3.163 -3.462 4.936 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.514 -3.358 5.819 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.345 -4.699 6.928 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.584 -3.502 7.372 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.865 -3.161 7.682 1.00 0.00 H new ATOM 725 N ALA A 53 2.652 0.129 3.861 1.00 0.00 N ATOM 726 CA ALA A 53 3.040 0.691 2.525 1.00 0.00 C ATOM 727 C ALA A 53 4.557 0.979 2.403 1.00 0.00 C ATOM 728 O ALA A 53 5.030 1.304 1.331 1.00 0.00 O ATOM 729 CB ALA A 53 2.277 1.996 2.306 1.00 0.00 C ATOM 0 H ALA A 53 1.931 0.656 4.354 1.00 0.00 H new ATOM 0 HA ALA A 53 2.791 -0.058 1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.548 2.418 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.205 1.799 2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.533 2.704 3.095 1.00 0.00 H new ATOM 735 N GLY A 54 5.317 0.870 3.463 1.00 0.00 N ATOM 736 CA GLY A 54 6.801 1.147 3.380 1.00 0.00 C ATOM 737 C GLY A 54 7.088 2.365 2.478 1.00 0.00 C ATOM 738 O GLY A 54 6.185 3.090 2.126 1.00 0.00 O ATOM 0 H GLY A 54 4.982 0.601 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.197 1.329 4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.317 0.270 2.988 1.00 0.00 H new ATOM 742 N SER A 55 8.360 2.571 2.114 1.00 0.00 N ATOM 743 CA SER A 55 8.780 3.730 1.223 1.00 0.00 C ATOM 744 C SER A 55 9.981 4.486 1.834 1.00 0.00 C ATOM 745 O SER A 55 10.795 3.906 2.520 1.00 0.00 O ATOM 746 CB SER A 55 7.614 4.690 1.008 1.00 0.00 C ATOM 747 OG SER A 55 7.168 5.169 2.271 1.00 0.00 O ATOM 0 H SER A 55 9.132 1.971 2.405 1.00 0.00 H new ATOM 0 HA SER A 55 9.082 3.321 0.259 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.924 5.523 0.378 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.800 4.183 0.489 1.00 0.00 H new ATOM 0 HG SER A 55 6.358 4.686 2.537 1.00 0.00 H new ATOM 753 N VAL A 56 10.109 5.769 1.567 1.00 0.00 N ATOM 754 CA VAL A 56 11.264 6.558 2.126 1.00 0.00 C ATOM 755 C VAL A 56 10.870 8.010 2.474 1.00 0.00 C ATOM 756 O VAL A 56 10.814 8.864 1.612 1.00 0.00 O ATOM 757 CB VAL A 56 12.376 6.631 1.097 1.00 0.00 C ATOM 758 CG1 VAL A 56 11.817 7.276 -0.178 1.00 0.00 C ATOM 759 CG2 VAL A 56 13.520 7.492 1.645 1.00 0.00 C ATOM 0 H VAL A 56 9.464 6.305 0.986 1.00 0.00 H new ATOM 0 HA VAL A 56 11.582 6.046 3.034 1.00 0.00 H new ATOM 0 HB VAL A 56 12.752 5.632 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.604 7.337 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.995 6.672 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.455 8.278 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.320 7.546 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.151 8.496 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.903 7.047 2.563 1.00 0.00 H new ATOM 769 N ASP A 57 10.665 8.301 3.739 1.00 0.00 N ATOM 770 CA ASP A 57 10.328 9.699 4.176 1.00 0.00 C ATOM 771 C ASP A 57 11.082 9.975 5.476 1.00 0.00 C ATOM 772 O ASP A 57 12.172 10.510 5.474 1.00 0.00 O ATOM 773 CB ASP A 57 8.819 9.858 4.445 1.00 0.00 C ATOM 774 CG ASP A 57 8.570 11.129 5.264 1.00 0.00 C ATOM 775 OD1 ASP A 57 9.035 12.178 4.851 1.00 0.00 O ATOM 776 OD2 ASP A 57 7.919 11.029 6.291 1.00 0.00 O ATOM 0 H ASP A 57 10.717 7.621 4.498 1.00 0.00 H new ATOM 0 HA ASP A 57 10.609 10.395 3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.275 9.910 3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.442 8.988 4.983 1.00 0.00 H new ATOM 781 N GLN A 58 10.502 9.597 6.586 1.00 0.00 N ATOM 782 CA GLN A 58 11.164 9.807 7.896 1.00 0.00 C ATOM 783 C GLN A 58 10.947 11.250 8.356 1.00 0.00 C ATOM 784 O GLN A 58 11.851 12.061 8.336 1.00 0.00 O ATOM 785 CB GLN A 58 12.665 9.525 7.773 1.00 0.00 C ATOM 786 CG GLN A 58 13.191 8.978 9.102 1.00 0.00 C ATOM 787 CD GLN A 58 14.305 7.963 8.836 1.00 0.00 C ATOM 788 OE1 GLN A 58 14.144 7.059 7.908 1.00 0.00 O flip ATOM 789 NE2 GLN A 58 15.335 7.992 9.481 1.00 0.00 N flip ATOM 0 H GLN A 58 9.588 9.147 6.635 1.00 0.00 H new ATOM 0 HA GLN A 58 10.732 9.125 8.628 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.847 8.806 6.974 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.197 10.438 7.507 1.00 0.00 H new ATOM 0 HG2 GLN A 58 13.568 9.794 9.718 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.381 8.506 9.659 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.463 8.698 10.206 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.072 7.311 9.297 1.00 0.00 H new ATOM 798 N SER A 59 9.753 11.577 8.768 1.00 0.00 N ATOM 799 CA SER A 59 9.478 12.969 9.226 1.00 0.00 C ATOM 800 C SER A 59 8.970 12.945 10.670 1.00 0.00 C ATOM 801 O SER A 59 9.083 13.915 11.393 1.00 0.00 O ATOM 802 CB SER A 59 8.421 13.604 8.322 1.00 0.00 C ATOM 803 OG SER A 59 8.842 14.912 7.956 1.00 0.00 O ATOM 0 H SER A 59 8.956 10.941 8.807 1.00 0.00 H new ATOM 0 HA SER A 59 10.397 13.554 9.177 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.274 12.994 7.431 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.463 13.649 8.839 1.00 0.00 H new ATOM 0 HG SER A 59 8.493 15.561 8.602 1.00 0.00 H new ATOM 809 N ASP A 60 8.411 11.847 11.095 1.00 0.00 N ATOM 810 CA ASP A 60 7.898 11.764 12.491 1.00 0.00 C ATOM 811 C ASP A 60 6.750 12.758 12.676 1.00 0.00 C ATOM 812 O ASP A 60 6.689 13.479 13.652 1.00 0.00 O ATOM 813 CB ASP A 60 9.024 12.105 13.472 1.00 0.00 C ATOM 814 CG ASP A 60 9.107 11.021 14.548 1.00 0.00 C ATOM 815 OD1 ASP A 60 8.331 11.087 15.489 1.00 0.00 O ATOM 816 OD2 ASP A 60 9.945 10.144 14.416 1.00 0.00 O ATOM 0 H ASP A 60 8.287 11.003 10.536 1.00 0.00 H new ATOM 0 HA ASP A 60 7.539 10.753 12.683 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.973 12.179 12.941 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.839 13.076 13.932 1.00 0.00 H new ATOM 821 N GLN A 61 5.835 12.802 11.745 1.00 0.00 N ATOM 822 CA GLN A 61 4.693 13.749 11.871 1.00 0.00 C ATOM 823 C GLN A 61 3.407 12.966 12.160 1.00 0.00 C ATOM 824 O GLN A 61 3.037 12.766 13.300 1.00 0.00 O ATOM 825 CB GLN A 61 4.535 14.536 10.569 1.00 0.00 C ATOM 826 CG GLN A 61 4.943 15.994 10.803 1.00 0.00 C ATOM 827 CD GLN A 61 6.357 16.220 10.264 1.00 0.00 C ATOM 828 OE1 GLN A 61 7.232 15.255 10.335 1.00 0.00 O flip ATOM 829 NE2 GLN A 61 6.669 17.288 9.773 1.00 0.00 N flip ATOM 0 H GLN A 61 5.830 12.224 10.905 1.00 0.00 H new ATOM 0 HA GLN A 61 4.885 14.442 12.690 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.153 14.095 9.787 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.502 14.487 10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.241 16.664 10.306 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.906 16.227 11.867 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.985 18.043 9.717 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.614 17.429 9.417 1.00 0.00 H new ATOM 838 N SER A 62 2.724 12.520 11.140 1.00 0.00 N ATOM 839 CA SER A 62 1.465 11.753 11.366 1.00 0.00 C ATOM 840 C SER A 62 0.761 11.514 10.027 1.00 0.00 C ATOM 841 O SER A 62 0.446 10.395 9.671 1.00 0.00 O ATOM 842 CB SER A 62 0.540 12.546 12.288 1.00 0.00 C ATOM 843 OG SER A 62 0.024 11.682 13.291 1.00 0.00 O ATOM 0 H SER A 62 2.983 12.653 10.162 1.00 0.00 H new ATOM 0 HA SER A 62 1.706 10.795 11.827 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.085 13.371 12.747 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.276 12.984 11.714 1.00 0.00 H new ATOM 0 HG SER A 62 -0.569 12.188 13.885 1.00 0.00 H new ATOM 849 N PHE A 63 0.512 12.558 9.284 1.00 0.00 N ATOM 850 CA PHE A 63 -0.173 12.387 7.967 1.00 0.00 C ATOM 851 C PHE A 63 0.870 12.091 6.890 1.00 0.00 C ATOM 852 O PHE A 63 0.912 12.729 5.858 1.00 0.00 O ATOM 853 CB PHE A 63 -0.947 13.662 7.600 1.00 0.00 C ATOM 854 CG PHE A 63 -0.210 14.879 8.106 1.00 0.00 C ATOM 855 CD1 PHE A 63 0.978 15.287 7.490 1.00 0.00 C ATOM 856 CD2 PHE A 63 -0.717 15.598 9.194 1.00 0.00 C ATOM 857 CE1 PHE A 63 1.659 16.415 7.963 1.00 0.00 C ATOM 858 CE2 PHE A 63 -0.037 16.724 9.668 1.00 0.00 C ATOM 859 CZ PHE A 63 1.151 17.134 9.051 1.00 0.00 C ATOM 0 H PHE A 63 0.751 13.519 9.529 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.877 11.558 8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.069 13.724 6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.947 13.627 8.032 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.369 14.732 6.650 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.635 15.283 9.668 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.576 16.730 7.488 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.428 17.277 10.509 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.675 18.005 9.415 1.00 0.00 H new ATOM 869 N LEU A 64 1.707 11.118 7.122 1.00 0.00 N ATOM 870 CA LEU A 64 2.743 10.766 6.114 1.00 0.00 C ATOM 871 C LEU A 64 2.664 9.266 5.821 1.00 0.00 C ATOM 872 O LEU A 64 2.030 8.841 4.880 1.00 0.00 O ATOM 873 CB LEU A 64 4.131 11.113 6.663 1.00 0.00 C ATOM 874 CG LEU A 64 4.459 12.573 6.342 1.00 0.00 C ATOM 875 CD1 LEU A 64 4.102 13.453 7.539 1.00 0.00 C ATOM 876 CD2 LEU A 64 5.953 12.709 6.042 1.00 0.00 C ATOM 0 H LEU A 64 1.717 10.550 7.969 1.00 0.00 H new ATOM 0 HA LEU A 64 2.571 11.328 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.158 10.952 7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.882 10.456 6.224 1.00 0.00 H new ATOM 0 HG LEU A 64 3.882 12.888 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.336 14.492 7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.038 13.360 7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.677 13.135 8.409 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.185 13.749 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.529 12.391 6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.211 12.084 5.187 1.00 0.00 H new ATOM 888 N ASP A 65 3.298 8.458 6.623 1.00 0.00 N ATOM 889 CA ASP A 65 3.249 6.989 6.382 1.00 0.00 C ATOM 890 C ASP A 65 3.997 6.266 7.500 1.00 0.00 C ATOM 891 O ASP A 65 4.974 6.763 8.024 1.00 0.00 O ATOM 892 CB ASP A 65 3.909 6.678 5.038 1.00 0.00 C ATOM 893 CG ASP A 65 3.600 5.236 4.634 1.00 0.00 C ATOM 894 OD1 ASP A 65 2.493 4.794 4.890 1.00 0.00 O ATOM 895 OD2 ASP A 65 4.477 4.599 4.075 1.00 0.00 O ATOM 0 H ASP A 65 3.846 8.749 7.432 1.00 0.00 H new ATOM 0 HA ASP A 65 2.212 6.653 6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.544 7.366 4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.987 6.823 5.109 1.00 0.00 H new ATOM 900 N ASP A 66 3.550 5.096 7.873 1.00 0.00 N ATOM 901 CA ASP A 66 4.232 4.352 8.951 1.00 0.00 C ATOM 902 C ASP A 66 4.381 5.278 10.154 1.00 0.00 C ATOM 903 O ASP A 66 5.286 6.083 10.213 1.00 0.00 O ATOM 904 CB ASP A 66 5.608 3.892 8.458 1.00 0.00 C ATOM 905 CG ASP A 66 5.577 3.683 6.940 1.00 0.00 C ATOM 906 OD1 ASP A 66 5.552 4.672 6.225 1.00 0.00 O ATOM 907 OD2 ASP A 66 5.580 2.538 6.518 1.00 0.00 O ATOM 0 H ASP A 66 2.738 4.629 7.470 1.00 0.00 H new ATOM 0 HA ASP A 66 3.653 3.473 9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.363 4.635 8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.890 2.964 8.956 1.00 0.00 H new ATOM 912 N ASP A 67 3.481 5.171 11.105 1.00 0.00 N ATOM 913 CA ASP A 67 3.541 6.041 12.322 1.00 0.00 C ATOM 914 C ASP A 67 5.003 6.305 12.684 1.00 0.00 C ATOM 915 O ASP A 67 5.357 7.355 13.181 1.00 0.00 O ATOM 916 CB ASP A 67 2.848 5.331 13.488 1.00 0.00 C ATOM 917 CG ASP A 67 1.364 5.705 13.509 1.00 0.00 C ATOM 918 OD1 ASP A 67 1.062 6.831 13.870 1.00 0.00 O ATOM 919 OD2 ASP A 67 0.555 4.859 13.163 1.00 0.00 O ATOM 0 H ASP A 67 2.702 4.513 11.088 1.00 0.00 H new ATOM 0 HA ASP A 67 3.038 6.987 12.121 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.960 4.251 13.388 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.318 5.614 14.430 1.00 0.00 H new ATOM 924 N GLN A 68 5.852 5.355 12.415 1.00 0.00 N ATOM 925 CA GLN A 68 7.294 5.528 12.712 1.00 0.00 C ATOM 926 C GLN A 68 8.056 4.343 12.125 1.00 0.00 C ATOM 927 O GLN A 68 8.867 3.736 12.794 1.00 0.00 O ATOM 928 CB GLN A 68 7.505 5.579 14.224 1.00 0.00 C ATOM 929 CG GLN A 68 6.531 4.616 14.906 1.00 0.00 C ATOM 930 CD GLN A 68 6.701 3.215 14.317 1.00 0.00 C ATOM 931 OE1 GLN A 68 5.788 2.740 13.515 1.00 0.00 O flip ATOM 932 NE2 GLN A 68 7.677 2.543 14.588 1.00 0.00 N flip ATOM 0 H GLN A 68 5.603 4.458 11.998 1.00 0.00 H new ATOM 0 HA GLN A 68 7.657 6.458 12.274 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.532 5.308 14.468 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.347 6.593 14.590 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.716 4.595 15.980 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.506 4.959 14.766 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.392 2.912 15.215 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.781 1.610 14.189 1.00 0.00 H new ATOM 941 N ILE A 69 7.787 4.011 10.879 1.00 0.00 N ATOM 942 CA ILE A 69 8.486 2.863 10.217 1.00 0.00 C ATOM 943 C ILE A 69 7.689 1.576 10.433 1.00 0.00 C ATOM 944 O ILE A 69 8.227 0.488 10.382 1.00 0.00 O ATOM 945 CB ILE A 69 9.902 2.683 10.781 1.00 0.00 C ATOM 946 CG1 ILE A 69 10.601 4.045 10.866 1.00 0.00 C ATOM 947 CG2 ILE A 69 10.704 1.762 9.860 1.00 0.00 C ATOM 948 CD1 ILE A 69 11.316 4.178 12.209 1.00 0.00 C ATOM 0 H ILE A 69 7.107 4.492 10.291 1.00 0.00 H new ATOM 0 HA ILE A 69 8.559 3.079 9.151 1.00 0.00 H new ATOM 0 HB ILE A 69 9.839 2.244 11.777 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.317 4.148 10.051 1.00 0.00 H new ATOM 0 HG13 ILE A 69 9.871 4.846 10.752 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.710 1.634 10.260 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.212 0.791 9.798 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.763 2.204 8.865 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.811 5.148 12.263 1.00 0.00 H new ATOM 0 HD12 ILE A 69 10.590 4.095 13.018 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.059 3.386 12.306 1.00 0.00 H new ATOM 960 N GLU A 70 6.409 1.686 10.665 1.00 0.00 N ATOM 961 CA GLU A 70 5.591 0.465 10.868 1.00 0.00 C ATOM 962 C GLU A 70 4.129 0.847 11.076 1.00 0.00 C ATOM 963 O GLU A 70 3.612 0.779 12.175 1.00 0.00 O ATOM 964 CB GLU A 70 6.100 -0.301 12.089 1.00 0.00 C ATOM 965 CG GLU A 70 5.997 -1.802 11.823 1.00 0.00 C ATOM 966 CD GLU A 70 6.855 -2.562 12.836 1.00 0.00 C ATOM 967 OE1 GLU A 70 8.061 -2.595 12.653 1.00 0.00 O ATOM 968 OE2 GLU A 70 6.292 -3.096 13.776 1.00 0.00 O ATOM 0 H GLU A 70 5.899 2.568 10.722 1.00 0.00 H new ATOM 0 HA GLU A 70 5.673 -0.168 9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.134 -0.027 12.299 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.515 -0.035 12.969 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.958 -2.124 11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.329 -2.026 10.809 1.00 0.00 H new ATOM 975 N ALA A 71 3.453 1.237 10.029 1.00 0.00 N ATOM 976 CA ALA A 71 2.020 1.611 10.163 1.00 0.00 C ATOM 977 C ALA A 71 1.577 2.430 8.946 1.00 0.00 C ATOM 978 O ALA A 71 1.193 3.577 9.071 1.00 0.00 O ATOM 979 CB ALA A 71 1.824 2.443 11.432 1.00 0.00 C ATOM 0 H ALA A 71 3.834 1.312 9.086 1.00 0.00 H new ATOM 0 HA ALA A 71 1.420 0.703 10.223 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.773 2.717 11.529 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.129 1.859 12.301 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.430 3.347 11.372 1.00 0.00 H new ATOM 985 N GLY A 72 1.626 1.863 7.766 1.00 0.00 N ATOM 986 CA GLY A 72 1.202 2.635 6.561 1.00 0.00 C ATOM 987 C GLY A 72 -0.142 3.324 6.827 1.00 0.00 C ATOM 988 O GLY A 72 -0.468 4.308 6.196 1.00 0.00 O ATOM 0 H GLY A 72 1.938 0.909 7.587 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.958 3.379 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.115 1.968 5.703 1.00 0.00 H new ATOM 992 N TYR A 73 -0.912 2.794 7.755 1.00 0.00 N ATOM 993 CA TYR A 73 -2.260 3.363 8.114 1.00 0.00 C ATOM 994 C TYR A 73 -2.514 4.722 7.448 1.00 0.00 C ATOM 995 O TYR A 73 -3.364 4.848 6.589 1.00 0.00 O ATOM 996 CB TYR A 73 -2.342 3.531 9.633 1.00 0.00 C ATOM 997 CG TYR A 73 -3.743 3.213 10.097 1.00 0.00 C ATOM 998 CD1 TYR A 73 -4.827 3.954 9.611 1.00 0.00 C ATOM 999 CD2 TYR A 73 -3.958 2.176 11.012 1.00 0.00 C ATOM 1000 CE1 TYR A 73 -6.126 3.660 10.040 1.00 0.00 C ATOM 1001 CE2 TYR A 73 -5.259 1.880 11.442 1.00 0.00 C ATOM 1002 CZ TYR A 73 -6.343 2.622 10.955 1.00 0.00 C ATOM 1003 OH TYR A 73 -7.624 2.330 11.377 1.00 0.00 O ATOM 0 H TYR A 73 -0.655 1.967 8.294 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.019 2.669 7.754 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.626 2.870 10.122 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.077 4.551 9.912 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.660 4.753 8.904 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.122 1.604 11.387 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.961 4.233 9.666 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.426 1.080 12.148 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.597 1.582 12.010 1.00 0.00 H new ATOM 1013 N VAL A 74 -1.799 5.741 7.843 1.00 0.00 N ATOM 1014 CA VAL A 74 -2.020 7.086 7.234 1.00 0.00 C ATOM 1015 C VAL A 74 -1.758 7.021 5.723 1.00 0.00 C ATOM 1016 O VAL A 74 -2.053 6.032 5.080 1.00 0.00 O ATOM 1017 CB VAL A 74 -1.072 8.098 7.885 1.00 0.00 C ATOM 1018 CG1 VAL A 74 -1.315 8.122 9.395 1.00 0.00 C ATOM 1019 CG2 VAL A 74 0.377 7.690 7.608 1.00 0.00 C ATOM 0 H VAL A 74 -1.073 5.701 8.559 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.051 7.397 7.401 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.256 9.089 7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.641 8.842 9.861 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.347 8.411 9.593 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.130 7.131 9.809 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.052 8.410 8.071 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.562 6.699 8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.550 7.670 6.532 1.00 0.00 H new ATOM 1029 N LEU A 75 -1.213 8.059 5.148 1.00 0.00 N ATOM 1030 CA LEU A 75 -0.947 8.035 3.683 1.00 0.00 C ATOM 1031 C LEU A 75 0.096 6.956 3.386 1.00 0.00 C ATOM 1032 O LEU A 75 1.091 6.831 4.073 1.00 0.00 O ATOM 1033 CB LEU A 75 -0.435 9.405 3.232 1.00 0.00 C ATOM 1034 CG LEU A 75 -1.468 10.475 3.590 1.00 0.00 C ATOM 1035 CD1 LEU A 75 -1.008 11.832 3.053 1.00 0.00 C ATOM 1036 CD2 LEU A 75 -2.817 10.110 2.964 1.00 0.00 C ATOM 0 H LEU A 75 -0.942 8.918 5.627 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.865 7.809 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.517 9.627 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.255 9.403 2.157 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.572 10.531 4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.745 12.593 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.048 12.093 3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.903 11.778 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.554 10.872 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.712 10.054 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.146 9.144 3.347 1.00 0.00 H new ATOM 1048 N THR A 76 -0.141 6.156 2.384 1.00 0.00 N ATOM 1049 CA THR A 76 0.820 5.057 2.058 1.00 0.00 C ATOM 1050 C THR A 76 1.810 5.498 0.976 1.00 0.00 C ATOM 1051 O THR A 76 2.710 4.763 0.621 1.00 0.00 O ATOM 1052 CB THR A 76 0.060 3.802 1.576 1.00 0.00 C ATOM 1053 OG1 THR A 76 0.605 3.357 0.344 1.00 0.00 O ATOM 1054 CG2 THR A 76 -1.430 4.103 1.385 1.00 0.00 C ATOM 0 H THR A 76 -0.957 6.213 1.775 1.00 0.00 H new ATOM 0 HA THR A 76 1.374 4.819 2.966 1.00 0.00 H new ATOM 0 HB THR A 76 0.167 3.027 2.335 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.604 2.377 0.321 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.942 3.203 1.045 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.860 4.430 2.332 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.550 4.891 0.642 1.00 0.00 H new ATOM 1062 N CYS A 77 1.662 6.677 0.436 1.00 0.00 N ATOM 1063 CA CYS A 77 2.613 7.114 -0.626 1.00 0.00 C ATOM 1064 C CYS A 77 3.375 8.368 -0.182 1.00 0.00 C ATOM 1065 O CYS A 77 3.988 9.044 -0.982 1.00 0.00 O ATOM 1066 CB CYS A 77 1.843 7.403 -1.919 1.00 0.00 C ATOM 1067 SG CYS A 77 0.942 8.963 -1.762 1.00 0.00 S ATOM 0 H CYS A 77 0.934 7.349 0.680 1.00 0.00 H new ATOM 0 HA CYS A 77 3.333 6.315 -0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 77 2.534 7.455 -2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 77 1.147 6.590 -2.128 1.00 0.00 H new ATOM 1072 N VAL A 78 3.354 8.679 1.086 1.00 0.00 N ATOM 1073 CA VAL A 78 4.094 9.886 1.558 1.00 0.00 C ATOM 1074 C VAL A 78 5.533 9.497 1.902 1.00 0.00 C ATOM 1075 O VAL A 78 6.292 10.293 2.422 1.00 0.00 O ATOM 1076 CB VAL A 78 3.413 10.464 2.797 1.00 0.00 C ATOM 1077 CG1 VAL A 78 4.194 11.686 3.282 1.00 0.00 C ATOM 1078 CG2 VAL A 78 1.985 10.879 2.440 1.00 0.00 C ATOM 0 H VAL A 78 2.862 8.156 1.810 1.00 0.00 H new ATOM 0 HA VAL A 78 4.095 10.637 0.768 1.00 0.00 H new ATOM 0 HB VAL A 78 3.388 9.713 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.709 12.100 4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.213 11.391 3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.217 12.439 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.495 11.292 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.011 11.632 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.430 10.009 2.091 1.00 0.00 H new ATOM 1088 N ALA A 79 5.917 8.284 1.605 1.00 0.00 N ATOM 1089 CA ALA A 79 7.310 7.843 1.897 1.00 0.00 C ATOM 1090 C ALA A 79 7.500 7.616 3.412 1.00 0.00 C ATOM 1091 O ALA A 79 6.695 8.039 4.209 1.00 0.00 O ATOM 1092 CB ALA A 79 8.278 8.916 1.390 1.00 0.00 C ATOM 0 H ALA A 79 5.323 7.578 1.171 1.00 0.00 H new ATOM 0 HA ALA A 79 7.510 6.898 1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.303 8.608 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.147 9.046 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.074 9.859 1.897 1.00 0.00 H new ATOM 1098 N TYR A 80 8.571 6.951 3.802 1.00 0.00 N ATOM 1099 CA TYR A 80 8.869 6.680 5.245 1.00 0.00 C ATOM 1100 C TYR A 80 9.984 5.623 5.290 1.00 0.00 C ATOM 1101 O TYR A 80 10.064 4.792 4.419 1.00 0.00 O ATOM 1102 CB TYR A 80 7.615 6.202 5.984 1.00 0.00 C ATOM 1103 CG TYR A 80 7.380 7.095 7.188 1.00 0.00 C ATOM 1104 CD1 TYR A 80 6.963 8.425 7.019 1.00 0.00 C ATOM 1105 CD2 TYR A 80 7.583 6.594 8.478 1.00 0.00 C ATOM 1106 CE1 TYR A 80 6.753 9.244 8.132 1.00 0.00 C ATOM 1107 CE2 TYR A 80 7.374 7.415 9.590 1.00 0.00 C ATOM 1108 CZ TYR A 80 6.959 8.740 9.419 1.00 0.00 C ATOM 1109 OH TYR A 80 6.753 9.547 10.519 1.00 0.00 O ATOM 0 H TYR A 80 9.267 6.577 3.157 1.00 0.00 H new ATOM 0 HA TYR A 80 9.194 7.591 5.747 1.00 0.00 H new ATOM 0 HB2 TYR A 80 6.752 6.232 5.319 1.00 0.00 H new ATOM 0 HB3 TYR A 80 7.737 5.166 6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 80 6.804 8.817 6.025 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.902 5.571 8.615 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.432 10.266 7.997 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.533 7.025 10.584 1.00 0.00 H new ATOM 0 HH TYR A 80 6.940 9.040 11.336 1.00 0.00 H new ATOM 1119 N PRO A 81 10.838 5.715 6.281 1.00 0.00 N ATOM 1120 CA PRO A 81 11.997 4.817 6.432 1.00 0.00 C ATOM 1121 C PRO A 81 11.725 3.407 5.901 1.00 0.00 C ATOM 1122 O PRO A 81 11.171 2.571 6.582 1.00 0.00 O ATOM 1123 CB PRO A 81 12.275 4.833 7.937 1.00 0.00 C ATOM 1124 CG PRO A 81 11.515 6.061 8.519 1.00 0.00 C ATOM 1125 CD PRO A 81 10.711 6.689 7.367 1.00 0.00 C ATOM 0 HA PRO A 81 12.855 5.147 5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 81 11.933 3.909 8.404 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.344 4.912 8.132 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.852 5.755 9.328 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.216 6.784 8.937 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.669 6.845 7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 81 11.113 7.661 7.082 1.00 0.00 H new ATOM 1133 N THR A 82 12.145 3.178 4.673 1.00 0.00 N ATOM 1134 CA THR A 82 11.985 1.866 3.975 1.00 0.00 C ATOM 1135 C THR A 82 11.272 0.841 4.834 1.00 0.00 C ATOM 1136 O THR A 82 11.838 -0.160 5.230 1.00 0.00 O ATOM 1137 CB THR A 82 13.359 1.319 3.596 1.00 0.00 C ATOM 1138 OG1 THR A 82 13.996 0.795 4.755 1.00 0.00 O ATOM 1139 CG2 THR A 82 14.216 2.437 3.003 1.00 0.00 C ATOM 0 H THR A 82 12.613 3.885 4.106 1.00 0.00 H new ATOM 0 HA THR A 82 11.378 2.043 3.087 1.00 0.00 H new ATOM 0 HB THR A 82 13.240 0.528 2.856 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.603 -0.074 4.979 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.195 2.041 2.734 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.729 2.836 2.113 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.336 3.233 3.738 1.00 0.00 H new ATOM 1147 N SER A 83 10.028 1.064 5.099 1.00 0.00 N ATOM 1148 CA SER A 83 9.266 0.088 5.899 1.00 0.00 C ATOM 1149 C SER A 83 8.861 -1.080 4.990 1.00 0.00 C ATOM 1150 O SER A 83 8.070 -1.922 5.364 1.00 0.00 O ATOM 1151 CB SER A 83 8.013 0.757 6.468 1.00 0.00 C ATOM 1152 OG SER A 83 8.119 0.824 7.884 1.00 0.00 O ATOM 0 H SER A 83 9.503 1.884 4.795 1.00 0.00 H new ATOM 0 HA SER A 83 9.878 -0.277 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.901 1.758 6.052 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.125 0.193 6.184 1.00 0.00 H new ATOM 0 HG SER A 83 8.004 -0.072 8.263 1.00 0.00 H new ATOM 1158 N ASP A 84 9.383 -1.121 3.784 1.00 0.00 N ATOM 1159 CA ASP A 84 9.005 -2.219 2.851 1.00 0.00 C ATOM 1160 C ASP A 84 7.606 -1.910 2.340 1.00 0.00 C ATOM 1161 O ASP A 84 6.686 -1.752 3.119 1.00 0.00 O ATOM 1162 CB ASP A 84 9.002 -3.553 3.600 1.00 0.00 C ATOM 1163 CG ASP A 84 9.215 -4.698 2.609 1.00 0.00 C ATOM 1164 OD1 ASP A 84 8.230 -5.189 2.082 1.00 0.00 O ATOM 1165 OD2 ASP A 84 10.358 -5.065 2.396 1.00 0.00 O ATOM 0 H ASP A 84 10.049 -0.444 3.413 1.00 0.00 H new ATOM 0 HA ASP A 84 9.712 -2.291 2.025 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.789 -3.560 4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.056 -3.685 4.125 1.00 0.00 H new ATOM 1170 N CYS A 85 7.411 -1.803 1.056 1.00 0.00 N ATOM 1171 CA CYS A 85 6.042 -1.486 0.595 1.00 0.00 C ATOM 1172 C CYS A 85 5.170 -2.686 0.916 1.00 0.00 C ATOM 1173 O CYS A 85 5.640 -3.801 0.955 1.00 0.00 O ATOM 1174 CB CYS A 85 5.994 -1.137 -0.903 1.00 0.00 C ATOM 1175 SG CYS A 85 4.330 -0.565 -1.327 1.00 0.00 S ATOM 0 H CYS A 85 8.118 -1.918 0.330 1.00 0.00 H new ATOM 0 HA CYS A 85 5.677 -0.597 1.109 1.00 0.00 H new ATOM 0 HB2 CYS A 85 6.727 -0.363 -1.132 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.255 -2.010 -1.501 1.00 0.00 H new ATOM 0 HG CYS A 85 3.968 0.370 -0.499 1.00 0.00 H new ATOM 1181 N THR A 86 3.924 -2.460 1.192 1.00 0.00 N ATOM 1182 CA THR A 86 3.020 -3.572 1.563 1.00 0.00 C ATOM 1183 C THR A 86 1.654 -2.969 1.855 1.00 0.00 C ATOM 1184 O THR A 86 1.470 -2.326 2.868 1.00 0.00 O ATOM 1185 CB THR A 86 3.547 -4.249 2.836 1.00 0.00 C ATOM 1186 OG1 THR A 86 4.654 -5.081 2.522 1.00 0.00 O ATOM 1187 CG2 THR A 86 2.449 -5.101 3.476 1.00 0.00 C ATOM 0 H THR A 86 3.487 -1.538 1.176 1.00 0.00 H new ATOM 0 HA THR A 86 2.962 -4.308 0.761 1.00 0.00 H new ATOM 0 HB THR A 86 3.858 -3.473 3.535 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.401 -4.528 2.210 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.836 -5.576 4.378 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.601 -4.467 3.735 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.127 -5.868 2.772 1.00 0.00 H new ATOM 1195 N ILE A 87 0.695 -3.140 0.998 1.00 0.00 N ATOM 1196 CA ILE A 87 -0.621 -2.535 1.296 1.00 0.00 C ATOM 1197 C ILE A 87 -1.708 -3.602 1.274 1.00 0.00 C ATOM 1198 O ILE A 87 -2.006 -4.185 0.245 1.00 0.00 O ATOM 1199 CB ILE A 87 -0.908 -1.406 0.289 1.00 0.00 C ATOM 1200 CG1 ILE A 87 -1.358 -0.179 1.070 1.00 0.00 C ATOM 1201 CG2 ILE A 87 -2.005 -1.803 -0.710 1.00 0.00 C ATOM 1202 CD1 ILE A 87 -0.205 0.316 1.945 1.00 0.00 C ATOM 0 H ILE A 87 0.762 -3.660 0.123 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.609 -2.102 2.296 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.001 -1.201 -0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.672 0.608 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.220 -0.425 1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -2.180 -0.981 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.689 -2.686 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.926 -2.024 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.525 1.195 2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.088 -0.471 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.644 0.577 1.314 1.00 0.00 H new ATOM 1214 N GLU A 88 -2.311 -3.855 2.409 1.00 0.00 N ATOM 1215 CA GLU A 88 -3.394 -4.868 2.456 1.00 0.00 C ATOM 1216 C GLU A 88 -4.726 -4.170 2.184 1.00 0.00 C ATOM 1217 O GLU A 88 -5.111 -3.265 2.888 1.00 0.00 O ATOM 1218 CB GLU A 88 -3.427 -5.519 3.839 1.00 0.00 C ATOM 1219 CG GLU A 88 -3.852 -6.979 3.700 1.00 0.00 C ATOM 1220 CD GLU A 88 -2.899 -7.700 2.744 1.00 0.00 C ATOM 1221 OE1 GLU A 88 -1.842 -8.111 3.191 1.00 0.00 O ATOM 1222 OE2 GLU A 88 -3.242 -7.826 1.580 1.00 0.00 O ATOM 0 H GLU A 88 -2.097 -3.403 3.298 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.218 -5.639 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.444 -5.457 4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.122 -4.986 4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.843 -7.466 4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.874 -7.037 3.324 1.00 0.00 H new ATOM 1229 N THR A 89 -5.427 -4.570 1.163 1.00 0.00 N ATOM 1230 CA THR A 89 -6.728 -3.908 0.849 1.00 0.00 C ATOM 1231 C THR A 89 -6.459 -2.528 0.235 1.00 0.00 C ATOM 1232 O THR A 89 -6.544 -2.350 -0.963 1.00 0.00 O ATOM 1233 CB THR A 89 -7.558 -3.763 2.130 1.00 0.00 C ATOM 1234 OG1 THR A 89 -7.181 -4.772 3.056 1.00 0.00 O ATOM 1235 CG2 THR A 89 -9.044 -3.907 1.794 1.00 0.00 C ATOM 0 H THR A 89 -5.159 -5.325 0.531 1.00 0.00 H new ATOM 0 HA THR A 89 -7.286 -4.516 0.137 1.00 0.00 H new ATOM 0 HB THR A 89 -7.379 -2.782 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.710 -4.678 3.875 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.635 -3.804 2.704 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.333 -3.132 1.084 1.00 0.00 H new ATOM 0 HG23 THR A 89 -9.224 -4.888 1.354 1.00 0.00 H new ATOM 1243 N HIS A 90 -6.133 -1.551 1.039 1.00 0.00 N ATOM 1244 CA HIS A 90 -5.859 -0.199 0.487 1.00 0.00 C ATOM 1245 C HIS A 90 -7.189 0.475 0.116 1.00 0.00 C ATOM 1246 O HIS A 90 -7.213 1.540 -0.467 1.00 0.00 O ATOM 1247 CB HIS A 90 -4.927 -0.338 -0.740 1.00 0.00 C ATOM 1248 CG HIS A 90 -5.615 0.124 -2.003 1.00 0.00 C ATOM 1249 ND1 HIS A 90 -5.598 1.448 -2.410 1.00 0.00 N ATOM 1250 CD2 HIS A 90 -6.360 -0.547 -2.942 1.00 0.00 C ATOM 1251 CE1 HIS A 90 -6.313 1.532 -3.546 1.00 0.00 C ATOM 1252 NE2 HIS A 90 -6.800 0.344 -3.915 1.00 0.00 N ATOM 0 H HIS A 90 -6.046 -1.634 2.052 1.00 0.00 H new ATOM 0 HA HIS A 90 -5.360 0.427 1.227 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -4.022 0.248 -0.581 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.619 -1.378 -0.850 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -5.129 2.219 -1.935 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -6.572 -1.606 -2.927 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -6.474 2.449 -4.094 1.00 0.00 H new ATOM 1260 N LYS A 91 -8.291 -0.141 0.449 1.00 0.00 N ATOM 1261 CA LYS A 91 -9.611 0.463 0.113 1.00 0.00 C ATOM 1262 C LYS A 91 -9.754 0.555 -1.408 1.00 0.00 C ATOM 1263 O LYS A 91 -9.410 1.550 -2.015 1.00 0.00 O ATOM 1264 CB LYS A 91 -9.705 1.863 0.722 1.00 0.00 C ATOM 1265 CG LYS A 91 -10.908 1.929 1.666 1.00 0.00 C ATOM 1266 CD LYS A 91 -10.419 1.994 3.114 1.00 0.00 C ATOM 1267 CE LYS A 91 -11.298 2.962 3.905 1.00 0.00 C ATOM 1268 NZ LYS A 91 -10.967 4.362 3.517 1.00 0.00 N ATOM 0 H LYS A 91 -8.334 -1.035 0.938 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.409 -0.159 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.790 2.097 1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.807 2.608 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.516 2.804 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.543 1.054 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.453 1.003 3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.380 2.322 3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.351 2.758 3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.140 2.823 4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.262 5.011 4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.941 4.448 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.467 4.606 2.638 1.00 0.00 H new ATOM 1282 N GLU A 92 -10.256 -0.477 -2.027 1.00 0.00 N ATOM 1283 CA GLU A 92 -10.420 -0.451 -3.507 1.00 0.00 C ATOM 1284 C GLU A 92 -11.739 0.234 -3.867 1.00 0.00 C ATOM 1285 O GLU A 92 -12.196 0.170 -4.992 1.00 0.00 O ATOM 1286 CB GLU A 92 -10.429 -1.885 -4.043 1.00 0.00 C ATOM 1287 CG GLU A 92 -9.004 -2.440 -4.042 1.00 0.00 C ATOM 1288 CD GLU A 92 -8.793 -3.304 -5.288 1.00 0.00 C ATOM 1289 OE1 GLU A 92 -9.664 -4.109 -5.580 1.00 0.00 O ATOM 1290 OE2 GLU A 92 -7.766 -3.149 -5.927 1.00 0.00 O ATOM 0 H GLU A 92 -10.560 -1.338 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.593 0.101 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.075 -2.511 -3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.837 -1.904 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.284 -1.622 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.833 -3.032 -3.143 1.00 0.00 H new ATOM 1297 N GLU A 93 -12.358 0.887 -2.924 1.00 0.00 N ATOM 1298 CA GLU A 93 -13.649 1.571 -3.220 1.00 0.00 C ATOM 1299 C GLU A 93 -14.680 0.530 -3.661 1.00 0.00 C ATOM 1300 O GLU A 93 -15.693 0.855 -4.248 1.00 0.00 O ATOM 1301 CB GLU A 93 -13.441 2.592 -4.343 1.00 0.00 C ATOM 1302 CG GLU A 93 -14.624 3.562 -4.378 1.00 0.00 C ATOM 1303 CD GLU A 93 -14.199 4.905 -3.779 1.00 0.00 C ATOM 1304 OE1 GLU A 93 -13.146 4.949 -3.163 1.00 0.00 O ATOM 1305 OE2 GLU A 93 -14.931 5.865 -3.947 1.00 0.00 O ATOM 0 H GLU A 93 -12.028 0.977 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.005 2.084 -2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.513 3.140 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.348 2.081 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.964 3.701 -5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.463 3.150 -3.817 1.00 0.00 H new ATOM 1312 N ASP A 94 -14.425 -0.719 -3.384 1.00 0.00 N ATOM 1313 CA ASP A 94 -15.376 -1.782 -3.782 1.00 0.00 C ATOM 1314 C ASP A 94 -15.332 -2.920 -2.759 1.00 0.00 C ATOM 1315 O ASP A 94 -16.341 -3.512 -2.433 1.00 0.00 O ATOM 1316 CB ASP A 94 -14.986 -2.317 -5.159 1.00 0.00 C ATOM 1317 CG ASP A 94 -16.047 -1.915 -6.184 1.00 0.00 C ATOM 1318 OD1 ASP A 94 -17.215 -2.160 -5.928 1.00 0.00 O ATOM 1319 OD2 ASP A 94 -15.674 -1.367 -7.209 1.00 0.00 O ATOM 0 H ASP A 94 -13.591 -1.046 -2.895 1.00 0.00 H new ATOM 0 HA ASP A 94 -16.385 -1.373 -3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -14.014 -1.921 -5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.891 -3.402 -5.125 1.00 0.00 H new ATOM 1324 N LEU A 95 -14.171 -3.231 -2.254 1.00 0.00 N ATOM 1325 CA LEU A 95 -14.060 -4.331 -1.255 1.00 0.00 C ATOM 1326 C LEU A 95 -14.433 -3.806 0.132 1.00 0.00 C ATOM 1327 O LEU A 95 -15.227 -4.396 0.839 1.00 0.00 O ATOM 1328 CB LEU A 95 -12.621 -4.858 -1.236 1.00 0.00 C ATOM 1329 CG LEU A 95 -12.401 -5.715 0.012 1.00 0.00 C ATOM 1330 CD1 LEU A 95 -13.348 -6.917 -0.019 1.00 0.00 C ATOM 1331 CD2 LEU A 95 -10.953 -6.209 0.039 1.00 0.00 C ATOM 0 H LEU A 95 -13.292 -2.770 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.739 -5.139 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -12.428 -5.448 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -11.918 -4.025 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.601 -5.119 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -13.191 -7.527 0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -14.380 -6.567 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -13.149 -7.514 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.794 -6.820 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.755 -6.805 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.277 -5.354 0.061 1.00 0.00 H new ATOM 1343 N TYR A 96 -13.858 -2.708 0.529 1.00 0.00 N ATOM 1344 CA TYR A 96 -14.164 -2.145 1.870 1.00 0.00 C ATOM 1345 C TYR A 96 -15.674 -2.222 2.131 1.00 0.00 C ATOM 1346 O TYR A 96 -16.057 -2.206 3.290 1.00 0.00 O ATOM 1347 CB TYR A 96 -13.686 -0.689 1.929 1.00 0.00 C ATOM 1348 CG TYR A 96 -14.710 0.229 1.314 1.00 0.00 C ATOM 1349 CD1 TYR A 96 -14.892 0.247 -0.071 1.00 0.00 C ATOM 1350 CD2 TYR A 96 -15.476 1.063 2.134 1.00 0.00 C ATOM 1351 CE1 TYR A 96 -15.842 1.102 -0.639 1.00 0.00 C ATOM 1352 CE2 TYR A 96 -16.425 1.918 1.569 1.00 0.00 C ATOM 1353 CZ TYR A 96 -16.609 1.938 0.181 1.00 0.00 C ATOM 1354 OH TYR A 96 -17.547 2.782 -0.379 1.00 0.00 O ATOM 1355 OXT TYR A 96 -16.418 -2.294 1.168 1.00 0.00 O ATOM 0 H TYR A 96 -13.186 -2.174 -0.021 1.00 0.00 H new ATOM 0 HA TYR A 96 -13.648 -2.721 2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -13.506 -0.401 2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -12.737 -0.590 1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -14.300 -0.399 -0.702 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -15.334 1.046 3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -15.984 1.117 -1.710 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -17.016 2.563 2.202 1.00 0.00 H new ATOM 0 HH TYR A 96 -17.992 3.292 0.329 1.00 0.00 H new TER 1365 TYR A 96 HETATM 1366 FE1 FES A 97 -2.688 11.403 -1.266 1.00 0.00 FE HETATM 1367 FE2 FES A 97 -1.309 8.997 -1.370 1.00 0.00 FE