USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 588 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0833 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.362 F(o=-2.4!,f=-0.36) USER MOD Single : A 23 GLN :FLIP amide:sc= -6.62! C(o=-7.7!,f=-6.6!) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0412) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -135:sc= -0.428 (180deg=-2.21!) USER MOD Single : A 35 ASN : amide:sc= -0.231 K(o=-0.23,f=-0.91) USER MOD Single : A 45 HIS :FLIP no HE2:sc= -2.66! C(o=-4.7!,f=-2.7!) USER MOD Single : A 48 THR OG1 : rot -148:sc= -0.28! USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= -0.653 (180deg=-1.07) USER MOD Single : A 51 GLN : amide:sc= -0.11 K(o=-0.11,f=-2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 156:sc= -0.169 (180deg=-1.23) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -42:sc= 1.05 USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0179) USER MOD Single : A 70 GLN : amide:sc= -2.68! C(o=-2.7!,f=-4.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -153:sc= -1.5 (180deg=-3.95!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.099 -39.526 23.834 1.00 0.00 N ATOM 2 CA GLY A 1 -33.430 -38.525 24.644 1.00 0.00 C ATOM 3 C GLY A 1 -32.718 -37.482 23.806 1.00 0.00 C ATOM 4 O GLY A 1 -31.586 -37.692 23.371 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.570 -40.216 24.454 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.807 -39.065 23.227 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.400 -40.016 23.240 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.161 -38.034 25.286 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.709 -39.014 25.299 1.00 0.00 H new ATOM 8 N SER A 2 -33.384 -36.354 23.576 1.00 0.00 N ATOM 9 CA SER A 2 -32.810 -35.276 22.779 1.00 0.00 C ATOM 10 C SER A 2 -33.704 -34.040 22.813 1.00 0.00 C ATOM 11 O SER A 2 -34.795 -34.034 22.244 1.00 0.00 O ATOM 12 CB SER A 2 -32.608 -35.734 21.333 1.00 0.00 C ATOM 13 OG SER A 2 -32.113 -34.678 20.528 1.00 0.00 O ATOM 0 H SER A 2 -34.321 -36.163 23.930 1.00 0.00 H new ATOM 0 HA SER A 2 -31.843 -35.015 23.208 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.911 -36.572 21.308 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.554 -36.093 20.926 1.00 0.00 H new ATOM 0 HG SER A 2 -31.991 -34.997 19.609 1.00 0.00 H new ATOM 19 N SER A 3 -33.232 -32.995 23.485 1.00 0.00 N ATOM 20 CA SER A 3 -33.989 -31.754 23.598 1.00 0.00 C ATOM 21 C SER A 3 -33.675 -30.819 22.434 1.00 0.00 C ATOM 22 O SER A 3 -33.507 -29.614 22.619 1.00 0.00 O ATOM 23 CB SER A 3 -33.675 -31.059 24.924 1.00 0.00 C ATOM 24 OG SER A 3 -34.772 -30.275 25.361 1.00 0.00 O ATOM 0 H SER A 3 -32.329 -32.983 23.959 1.00 0.00 H new ATOM 0 HA SER A 3 -35.050 -32.000 23.568 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.433 -31.805 25.681 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.795 -30.426 24.807 1.00 0.00 H new ATOM 0 HG SER A 3 -34.547 -29.842 26.211 1.00 0.00 H new ATOM 30 N GLY A 4 -33.598 -31.384 21.233 1.00 0.00 N ATOM 31 CA GLY A 4 -33.304 -30.588 20.056 1.00 0.00 C ATOM 32 C GLY A 4 -31.840 -30.208 19.963 1.00 0.00 C ATOM 33 O GLY A 4 -31.376 -29.317 20.674 1.00 0.00 O ATOM 0 H GLY A 4 -33.734 -32.379 21.054 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.589 -31.146 19.164 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.911 -29.683 20.073 1.00 0.00 H new ATOM 37 N SER A 5 -31.108 -30.888 19.085 1.00 0.00 N ATOM 38 CA SER A 5 -29.686 -30.621 18.906 1.00 0.00 C ATOM 39 C SER A 5 -29.249 -30.939 17.479 1.00 0.00 C ATOM 40 O SER A 5 -30.011 -31.508 16.697 1.00 0.00 O ATOM 41 CB SER A 5 -28.862 -31.444 19.898 1.00 0.00 C ATOM 42 OG SER A 5 -27.511 -31.018 19.915 1.00 0.00 O ATOM 0 H SER A 5 -31.477 -31.628 18.487 1.00 0.00 H new ATOM 0 HA SER A 5 -29.514 -29.561 19.093 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.289 -31.350 20.896 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.911 -32.499 19.629 1.00 0.00 H new ATOM 0 HG SER A 5 -27.006 -31.558 20.558 1.00 0.00 H new ATOM 48 N SER A 6 -28.017 -30.567 17.147 1.00 0.00 N ATOM 49 CA SER A 6 -27.479 -30.808 15.813 1.00 0.00 C ATOM 50 C SER A 6 -26.009 -31.209 15.885 1.00 0.00 C ATOM 51 O SER A 6 -25.309 -30.876 16.841 1.00 0.00 O ATOM 52 CB SER A 6 -27.637 -29.560 14.943 1.00 0.00 C ATOM 53 OG SER A 6 -27.535 -29.882 13.567 1.00 0.00 O ATOM 0 H SER A 6 -27.373 -30.098 17.783 1.00 0.00 H new ATOM 0 HA SER A 6 -28.040 -31.628 15.364 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.603 -29.095 15.140 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.872 -28.830 15.207 1.00 0.00 H new ATOM 0 HG SER A 6 -27.641 -29.068 13.032 1.00 0.00 H new ATOM 59 N GLY A 7 -25.547 -31.926 14.866 1.00 0.00 N ATOM 60 CA GLY A 7 -24.162 -32.361 14.832 1.00 0.00 C ATOM 61 C GLY A 7 -23.367 -31.679 13.737 1.00 0.00 C ATOM 62 O GLY A 7 -22.646 -32.333 12.984 1.00 0.00 O ATOM 0 H GLY A 7 -26.106 -32.214 14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.696 -32.156 15.796 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.127 -33.440 14.684 1.00 0.00 H new ATOM 66 N SER A 8 -23.499 -30.359 13.647 1.00 0.00 N ATOM 67 CA SER A 8 -22.790 -29.587 12.633 1.00 0.00 C ATOM 68 C SER A 8 -22.545 -28.159 13.110 1.00 0.00 C ATOM 69 O SER A 8 -23.485 -27.418 13.398 1.00 0.00 O ATOM 70 CB SER A 8 -23.586 -29.571 11.326 1.00 0.00 C ATOM 71 OG SER A 8 -22.761 -29.214 10.231 1.00 0.00 O ATOM 0 H SER A 8 -24.090 -29.802 14.264 1.00 0.00 H new ATOM 0 HA SER A 8 -21.825 -30.063 12.457 1.00 0.00 H new ATOM 0 HB2 SER A 8 -24.023 -30.554 11.151 1.00 0.00 H new ATOM 0 HB3 SER A 8 -24.412 -28.865 11.408 1.00 0.00 H new ATOM 0 HG SER A 8 -23.293 -29.213 9.408 1.00 0.00 H new ATOM 77 N LEU A 9 -21.274 -27.780 13.191 1.00 0.00 N ATOM 78 CA LEU A 9 -20.903 -26.440 13.633 1.00 0.00 C ATOM 79 C LEU A 9 -19.991 -25.764 12.614 1.00 0.00 C ATOM 80 O LEU A 9 -19.215 -26.426 11.926 1.00 0.00 O ATOM 81 CB LEU A 9 -20.207 -26.505 14.993 1.00 0.00 C ATOM 82 CG LEU A 9 -21.115 -26.731 16.202 1.00 0.00 C ATOM 83 CD1 LEU A 9 -22.049 -25.546 16.397 1.00 0.00 C ATOM 84 CD2 LEU A 9 -21.911 -28.017 16.038 1.00 0.00 C ATOM 0 H LEU A 9 -20.484 -28.381 12.957 1.00 0.00 H new ATOM 0 HA LEU A 9 -21.814 -25.849 13.726 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -19.469 -27.307 14.963 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -19.660 -25.574 15.144 1.00 0.00 H new ATOM 0 HG LEU A 9 -20.489 -26.825 17.090 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -22.688 -25.725 17.262 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -21.461 -24.643 16.560 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -22.668 -25.421 15.509 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -22.552 -28.162 16.908 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -22.526 -27.952 15.141 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -21.226 -28.860 15.948 1.00 0.00 H new ATOM 96 N GLN A 10 -20.089 -24.441 12.525 1.00 0.00 N ATOM 97 CA GLN A 10 -19.272 -23.676 11.592 1.00 0.00 C ATOM 98 C GLN A 10 -19.093 -22.240 12.075 1.00 0.00 C ATOM 99 O GLN A 10 -20.059 -21.573 12.445 1.00 0.00 O ATOM 100 CB GLN A 10 -19.908 -23.682 10.200 1.00 0.00 C ATOM 101 CG GLN A 10 -19.477 -24.860 9.340 1.00 0.00 C ATOM 102 CD GLN A 10 -20.027 -24.784 7.929 1.00 0.00 C ATOM 103 OE1 GLN A 10 -19.673 -23.890 7.160 1.00 0.00 O ATOM 104 NE2 GLN A 10 -20.897 -25.724 7.582 1.00 0.00 N ATOM 0 H GLN A 10 -20.726 -23.878 13.088 1.00 0.00 H new ATOM 0 HA GLN A 10 -18.291 -24.147 11.538 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -20.993 -23.697 10.305 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -19.650 -22.755 9.688 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -18.388 -24.897 9.300 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -19.810 -25.787 9.807 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -21.162 -26.446 8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -21.301 -25.724 6.645 1.00 0.00 H new ATOM 113 N LYS A 11 -17.850 -21.770 12.070 1.00 0.00 N ATOM 114 CA LYS A 11 -17.543 -20.414 12.506 1.00 0.00 C ATOM 115 C LYS A 11 -16.197 -19.955 11.953 1.00 0.00 C ATOM 116 O LYS A 11 -15.305 -20.769 11.715 1.00 0.00 O ATOM 117 CB LYS A 11 -17.530 -20.338 14.035 1.00 0.00 C ATOM 118 CG LYS A 11 -16.296 -20.960 14.664 1.00 0.00 C ATOM 119 CD LYS A 11 -16.558 -22.388 15.115 1.00 0.00 C ATOM 120 CE LYS A 11 -16.043 -23.396 14.099 1.00 0.00 C ATOM 121 NZ LYS A 11 -15.967 -24.769 14.671 1.00 0.00 N ATOM 0 H LYS A 11 -17.039 -22.309 11.768 1.00 0.00 H new ATOM 0 HA LYS A 11 -18.319 -19.752 12.121 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -17.595 -19.293 14.339 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.417 -20.839 14.423 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.476 -20.949 13.946 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.980 -20.360 15.518 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.076 -22.561 16.077 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.628 -22.533 15.263 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.698 -23.401 13.228 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.055 -23.091 13.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.612 -25.427 13.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.322 -24.770 15.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.914 -25.070 14.978 1.00 0.00 H new ATOM 135 N GLU A 12 -16.059 -18.649 11.753 1.00 0.00 N ATOM 136 CA GLU A 12 -14.821 -18.084 11.229 1.00 0.00 C ATOM 137 C GLU A 12 -14.873 -16.559 11.236 1.00 0.00 C ATOM 138 O GLU A 12 -15.940 -15.964 11.392 1.00 0.00 O ATOM 139 CB GLU A 12 -14.565 -18.589 9.808 1.00 0.00 C ATOM 140 CG GLU A 12 -13.158 -18.312 9.307 1.00 0.00 C ATOM 141 CD GLU A 12 -12.884 -18.945 7.956 1.00 0.00 C ATOM 142 OE1 GLU A 12 -13.639 -18.658 7.003 1.00 0.00 O ATOM 143 OE2 GLU A 12 -11.916 -19.726 7.852 1.00 0.00 O ATOM 0 H GLU A 12 -16.788 -17.962 11.946 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.004 -18.406 11.874 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.748 -19.663 9.775 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -15.281 -18.122 9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.007 -17.235 9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.437 -18.688 10.033 1.00 0.00 H new ATOM 150 N ILE A 13 -13.713 -15.932 11.068 1.00 0.00 N ATOM 151 CA ILE A 13 -13.626 -14.478 11.054 1.00 0.00 C ATOM 152 C ILE A 13 -13.788 -13.930 9.640 1.00 0.00 C ATOM 153 O ILE A 13 -13.268 -14.498 8.680 1.00 0.00 O ATOM 154 CB ILE A 13 -12.284 -13.988 11.631 1.00 0.00 C ATOM 155 CG1 ILE A 13 -11.986 -14.694 12.956 1.00 0.00 C ATOM 156 CG2 ILE A 13 -12.308 -12.479 11.822 1.00 0.00 C ATOM 157 CD1 ILE A 13 -10.573 -14.479 13.451 1.00 0.00 C ATOM 0 H ILE A 13 -12.821 -16.409 10.940 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.438 -14.108 11.680 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.491 -14.232 10.924 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.685 -14.339 13.713 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -12.162 -15.763 12.836 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.353 -12.149 12.230 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.479 -11.993 10.861 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.109 -12.212 12.511 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.433 -15.008 14.394 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.867 -14.860 12.713 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.399 -13.414 13.603 1.00 0.00 H new ATOM 169 N SER A 14 -14.512 -12.822 9.520 1.00 0.00 N ATOM 170 CA SER A 14 -14.745 -12.198 8.223 1.00 0.00 C ATOM 171 C SER A 14 -13.470 -11.545 7.698 1.00 0.00 C ATOM 172 O SER A 14 -12.433 -11.553 8.363 1.00 0.00 O ATOM 173 CB SER A 14 -15.859 -11.155 8.328 1.00 0.00 C ATOM 174 OG SER A 14 -15.464 -10.067 9.145 1.00 0.00 O ATOM 0 H SER A 14 -14.947 -12.338 10.305 1.00 0.00 H new ATOM 0 HA SER A 14 -15.050 -12.976 7.523 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.116 -10.792 7.333 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.756 -11.617 8.741 1.00 0.00 H new ATOM 0 HG SER A 14 -16.193 -9.414 9.195 1.00 0.00 H new ATOM 180 N THR A 15 -13.553 -10.979 6.498 1.00 0.00 N ATOM 181 CA THR A 15 -12.407 -10.322 5.881 1.00 0.00 C ATOM 182 C THR A 15 -12.055 -9.031 6.611 1.00 0.00 C ATOM 183 O THR A 15 -10.888 -8.648 6.684 1.00 0.00 O ATOM 184 CB THR A 15 -12.674 -10.003 4.398 1.00 0.00 C ATOM 185 OG1 THR A 15 -11.518 -9.395 3.812 1.00 0.00 O ATOM 186 CG2 THR A 15 -13.871 -9.076 4.250 1.00 0.00 C ATOM 0 H THR A 15 -14.403 -10.962 5.934 1.00 0.00 H new ATOM 0 HA THR A 15 -11.569 -11.016 5.951 1.00 0.00 H new ATOM 0 HB THR A 15 -12.893 -10.938 3.882 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.695 -9.197 2.869 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.040 -8.865 3.194 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.756 -9.554 4.670 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.677 -8.143 4.780 1.00 0.00 H new ATOM 194 N GLU A 16 -13.071 -8.365 7.150 1.00 0.00 N ATOM 195 CA GLU A 16 -12.866 -7.116 7.875 1.00 0.00 C ATOM 196 C GLU A 16 -11.890 -7.312 9.031 1.00 0.00 C ATOM 197 O GLU A 16 -10.860 -6.643 9.107 1.00 0.00 O ATOM 198 CB GLU A 16 -14.199 -6.583 8.403 1.00 0.00 C ATOM 199 CG GLU A 16 -15.012 -5.835 7.359 1.00 0.00 C ATOM 200 CD GLU A 16 -16.348 -5.356 7.893 1.00 0.00 C ATOM 201 OE1 GLU A 16 -16.350 -4.525 8.826 1.00 0.00 O ATOM 202 OE2 GLU A 16 -17.391 -5.811 7.380 1.00 0.00 O ATOM 0 H GLU A 16 -14.043 -8.669 7.099 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.441 -6.389 7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.790 -7.417 8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.007 -5.919 9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.439 -4.979 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.180 -6.485 6.501 1.00 0.00 H new ATOM 209 N GLU A 17 -12.223 -8.234 9.930 1.00 0.00 N ATOM 210 CA GLU A 17 -11.377 -8.517 11.083 1.00 0.00 C ATOM 211 C GLU A 17 -10.069 -9.174 10.650 1.00 0.00 C ATOM 212 O GLU A 17 -8.985 -8.715 11.009 1.00 0.00 O ATOM 213 CB GLU A 17 -12.112 -9.422 12.073 1.00 0.00 C ATOM 214 CG GLU A 17 -12.903 -8.660 13.123 1.00 0.00 C ATOM 215 CD GLU A 17 -12.129 -7.492 13.703 1.00 0.00 C ATOM 216 OE1 GLU A 17 -10.900 -7.624 13.882 1.00 0.00 O ATOM 217 OE2 GLU A 17 -12.753 -6.445 13.977 1.00 0.00 O ATOM 0 H GLU A 17 -13.072 -8.797 9.881 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.144 -7.571 11.571 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.790 -10.074 11.522 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.387 -10.065 12.572 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.829 -8.293 12.680 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.182 -9.341 13.927 1.00 0.00 H new ATOM 224 N GLN A 18 -10.182 -10.250 9.879 1.00 0.00 N ATOM 225 CA GLN A 18 -9.009 -10.971 9.398 1.00 0.00 C ATOM 226 C GLN A 18 -7.958 -10.004 8.862 1.00 0.00 C ATOM 227 O GLN A 18 -6.853 -9.913 9.398 1.00 0.00 O ATOM 228 CB GLN A 18 -9.407 -11.966 8.308 1.00 0.00 C ATOM 229 CG GLN A 18 -10.061 -13.229 8.846 1.00 0.00 C ATOM 230 CD GLN A 18 -10.447 -14.200 7.747 1.00 0.00 C ATOM 231 OE1 GLN A 18 -11.413 -13.808 6.924 1.00 0.00 O flip ATOM 232 NE2 GLN A 18 -9.885 -15.290 7.640 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.073 -10.642 9.574 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.579 -11.517 10.238 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.093 -11.478 7.616 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.520 -12.241 7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.377 -13.722 9.537 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.950 -12.959 9.416 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.148 -15.550 8.295 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.157 -15.933 6.896 1.00 0.00 H new ATOM 241 N LEU A 19 -8.309 -9.286 7.802 1.00 0.00 N ATOM 242 CA LEU A 19 -7.395 -8.325 7.192 1.00 0.00 C ATOM 243 C LEU A 19 -6.815 -7.384 8.242 1.00 0.00 C ATOM 244 O LEU A 19 -5.611 -7.125 8.260 1.00 0.00 O ATOM 245 CB LEU A 19 -8.118 -7.519 6.111 1.00 0.00 C ATOM 246 CG LEU A 19 -8.173 -8.156 4.722 1.00 0.00 C ATOM 247 CD1 LEU A 19 -8.578 -9.619 4.821 1.00 0.00 C ATOM 248 CD2 LEU A 19 -9.135 -7.394 3.823 1.00 0.00 C ATOM 0 H LEU A 19 -9.219 -9.350 7.346 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.575 -8.879 6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.139 -7.335 6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.631 -6.547 6.024 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.178 -8.105 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.612 -10.056 3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.850 -10.158 5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.562 -9.694 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.161 -7.862 2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.133 -7.412 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.801 -6.361 3.725 1.00 0.00 H new ATOM 260 N ARG A 20 -7.677 -6.876 9.116 1.00 0.00 N ATOM 261 CA ARG A 20 -7.250 -5.964 10.170 1.00 0.00 C ATOM 262 C ARG A 20 -6.098 -6.562 10.972 1.00 0.00 C ATOM 263 O ARG A 20 -5.417 -5.859 11.719 1.00 0.00 O ATOM 264 CB ARG A 20 -8.420 -5.642 11.100 1.00 0.00 C ATOM 265 CG ARG A 20 -9.317 -4.526 10.588 1.00 0.00 C ATOM 266 CD ARG A 20 -8.618 -3.177 10.650 1.00 0.00 C ATOM 267 NE ARG A 20 -9.523 -2.077 10.326 1.00 0.00 N ATOM 268 CZ ARG A 20 -10.329 -1.503 11.212 1.00 0.00 C ATOM 269 NH1 ARG A 20 -10.343 -1.922 12.470 1.00 0.00 N ATOM 270 NH2 ARG A 20 -11.123 -0.507 10.841 1.00 0.00 N ATOM 0 H ARG A 20 -8.676 -7.081 9.115 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.904 -5.043 9.701 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.019 -6.542 11.241 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.029 -5.362 12.078 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.612 -4.737 9.560 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.231 -4.491 11.181 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.208 -3.027 11.649 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.778 -3.172 9.956 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.537 -1.731 9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.734 -2.687 12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.963 -1.479 13.148 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.115 -0.181 9.874 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.742 -0.067 11.522 1.00 0.00 H new ATOM 284 N ARG A 21 -5.887 -7.865 10.814 1.00 0.00 N ATOM 285 CA ARG A 21 -4.819 -8.558 11.524 1.00 0.00 C ATOM 286 C ARG A 21 -3.516 -8.505 10.733 1.00 0.00 C ATOM 287 O ARG A 21 -2.466 -8.148 11.269 1.00 0.00 O ATOM 288 CB ARG A 21 -5.212 -10.014 11.784 1.00 0.00 C ATOM 289 CG ARG A 21 -6.514 -10.165 12.554 1.00 0.00 C ATOM 290 CD ARG A 21 -6.735 -11.603 12.996 1.00 0.00 C ATOM 291 NE ARG A 21 -5.887 -11.964 14.129 1.00 0.00 N ATOM 292 CZ ARG A 21 -6.212 -11.727 15.395 1.00 0.00 C ATOM 293 NH1 ARG A 21 -7.360 -11.132 15.688 1.00 0.00 N ATOM 294 NH2 ARG A 21 -5.387 -12.085 16.371 1.00 0.00 N ATOM 0 H ARG A 21 -6.442 -8.462 10.200 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.665 -8.054 12.478 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.302 -10.533 10.830 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.412 -10.504 12.340 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.500 -9.513 13.427 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.347 -9.843 11.929 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.781 -11.742 13.268 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.530 -12.274 12.162 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.997 -12.423 13.938 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.996 -10.855 14.940 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.607 -10.951 16.661 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.503 -12.542 16.149 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.637 -11.903 17.343 1.00 0.00 H new ATOM 308 N LEU A 22 -3.590 -8.862 9.456 1.00 0.00 N ATOM 309 CA LEU A 22 -2.416 -8.856 8.590 1.00 0.00 C ATOM 310 C LEU A 22 -2.262 -7.509 7.891 1.00 0.00 C ATOM 311 O LEU A 22 -1.185 -6.913 7.902 1.00 0.00 O ATOM 312 CB LEU A 22 -2.518 -9.974 7.551 1.00 0.00 C ATOM 313 CG LEU A 22 -3.922 -10.274 7.025 1.00 0.00 C ATOM 314 CD1 LEU A 22 -3.861 -10.753 5.582 1.00 0.00 C ATOM 315 CD2 LEU A 22 -4.610 -11.309 7.903 1.00 0.00 C ATOM 0 H LEU A 22 -4.451 -9.159 8.997 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.536 -9.025 9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.882 -9.715 6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.112 -10.887 7.987 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.505 -9.354 7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.870 -10.962 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.409 -9.980 4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.261 -11.661 5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.608 -11.510 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.028 -12.231 7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.688 -10.928 8.921 1.00 0.00 H new ATOM 327 N GLN A 23 -3.346 -7.034 7.287 1.00 0.00 N ATOM 328 CA GLN A 23 -3.331 -5.756 6.585 1.00 0.00 C ATOM 329 C GLN A 23 -2.789 -4.649 7.482 1.00 0.00 C ATOM 330 O GLN A 23 -2.014 -3.802 7.037 1.00 0.00 O ATOM 331 CB GLN A 23 -4.739 -5.397 6.105 1.00 0.00 C ATOM 332 CG GLN A 23 -5.305 -6.379 5.092 1.00 0.00 C ATOM 333 CD GLN A 23 -6.340 -5.746 4.182 1.00 0.00 C ATOM 334 OE1 GLN A 23 -6.560 -6.355 3.023 1.00 0.00 O flip ATOM 335 NE2 GLN A 23 -6.934 -4.720 4.516 1.00 0.00 N flip ATOM 0 H GLN A 23 -4.246 -7.515 7.269 1.00 0.00 H new ATOM 0 HA GLN A 23 -2.674 -5.852 5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.406 -5.350 6.966 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.720 -4.401 5.662 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.492 -6.781 4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.756 -7.220 5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.734 -4.285 5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.626 -4.305 3.892 1.00 0.00 H new ATOM 344 N GLU A 24 -3.201 -4.662 8.745 1.00 0.00 N ATOM 345 CA GLU A 24 -2.757 -3.657 9.704 1.00 0.00 C ATOM 346 C GLU A 24 -1.235 -3.646 9.815 1.00 0.00 C ATOM 347 O GLU A 24 -0.635 -2.628 10.157 1.00 0.00 O ATOM 348 CB GLU A 24 -3.377 -3.920 11.077 1.00 0.00 C ATOM 349 CG GLU A 24 -2.841 -5.168 11.758 1.00 0.00 C ATOM 350 CD GLU A 24 -3.370 -5.335 13.169 1.00 0.00 C ATOM 351 OE1 GLU A 24 -3.539 -4.313 13.865 1.00 0.00 O ATOM 352 OE2 GLU A 24 -3.615 -6.490 13.577 1.00 0.00 O ATOM 0 H GLU A 24 -3.841 -5.357 9.128 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.086 -2.681 9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.194 -3.059 11.720 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.457 -4.012 10.967 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.110 -6.044 11.167 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.752 -5.124 11.785 1.00 0.00 H new ATOM 359 N GLU A 25 -0.618 -4.787 9.523 1.00 0.00 N ATOM 360 CA GLU A 25 0.833 -4.910 9.592 1.00 0.00 C ATOM 361 C GLU A 25 1.471 -4.588 8.243 1.00 0.00 C ATOM 362 O GLU A 25 2.672 -4.776 8.050 1.00 0.00 O ATOM 363 CB GLU A 25 1.228 -6.321 10.031 1.00 0.00 C ATOM 364 CG GLU A 25 0.858 -6.637 11.470 1.00 0.00 C ATOM 365 CD GLU A 25 1.847 -6.063 12.466 1.00 0.00 C ATOM 366 OE1 GLU A 25 2.003 -4.824 12.502 1.00 0.00 O ATOM 367 OE2 GLU A 25 2.465 -6.853 13.210 1.00 0.00 O ATOM 0 H GLU A 25 -1.100 -5.639 9.237 1.00 0.00 H new ATOM 0 HA GLU A 25 1.198 -4.193 10.328 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.746 -7.045 9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.304 -6.443 9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.136 -6.241 11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.805 -7.718 11.599 1.00 0.00 H new ATOM 374 N LYS A 26 0.657 -4.102 7.312 1.00 0.00 N ATOM 375 CA LYS A 26 1.139 -3.753 5.980 1.00 0.00 C ATOM 376 C LYS A 26 1.063 -2.247 5.752 1.00 0.00 C ATOM 377 O LYS A 26 2.082 -1.589 5.537 1.00 0.00 O ATOM 378 CB LYS A 26 0.322 -4.483 4.912 1.00 0.00 C ATOM 379 CG LYS A 26 0.377 -5.996 5.033 1.00 0.00 C ATOM 380 CD LYS A 26 -0.550 -6.670 4.035 1.00 0.00 C ATOM 381 CE LYS A 26 -1.048 -8.010 4.552 1.00 0.00 C ATOM 382 NZ LYS A 26 0.075 -8.948 4.834 1.00 0.00 N ATOM 0 H LYS A 26 -0.340 -3.941 7.455 1.00 0.00 H new ATOM 0 HA LYS A 26 2.182 -4.062 5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.717 -4.159 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.686 -4.192 3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.399 -6.338 4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.100 -6.291 6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.400 -6.019 3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.025 -6.816 3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.629 -7.855 5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.718 -8.456 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.306 -9.894 5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.702 -8.998 4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.613 -8.608 5.656 1.00 0.00 H new ATOM 396 N LEU A 27 -0.150 -1.706 5.801 1.00 0.00 N ATOM 397 CA LEU A 27 -0.358 -0.276 5.601 1.00 0.00 C ATOM 398 C LEU A 27 0.607 0.540 6.456 1.00 0.00 C ATOM 399 O LEU A 27 1.419 -0.016 7.196 1.00 0.00 O ATOM 400 CB LEU A 27 -1.801 0.101 5.940 1.00 0.00 C ATOM 401 CG LEU A 27 -2.155 0.136 7.428 1.00 0.00 C ATOM 402 CD1 LEU A 27 -1.307 -0.863 8.201 1.00 0.00 C ATOM 403 CD2 LEU A 27 -1.971 1.539 7.986 1.00 0.00 C ATOM 0 H LEU A 27 -1.004 -2.236 5.977 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.166 -0.049 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.008 1.083 5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.466 -0.607 5.446 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.202 -0.144 7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.572 -0.825 9.258 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.488 -1.867 7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.253 -0.614 8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.227 1.546 9.045 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.933 1.847 7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.621 2.231 7.451 1.00 0.00 H new ATOM 415 N CYS A 28 0.510 1.861 6.350 1.00 0.00 N ATOM 416 CA CYS A 28 1.373 2.754 7.114 1.00 0.00 C ATOM 417 C CYS A 28 1.496 2.286 8.561 1.00 0.00 C ATOM 418 O CYS A 28 0.756 1.409 9.007 1.00 0.00 O ATOM 419 CB CYS A 28 0.826 4.183 7.073 1.00 0.00 C ATOM 420 SG CYS A 28 2.023 5.452 7.597 1.00 0.00 S ATOM 0 H CYS A 28 -0.157 2.337 5.743 1.00 0.00 H new ATOM 0 HA CYS A 28 2.364 2.738 6.660 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.497 4.406 6.058 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.054 4.242 7.713 1.00 0.00 H new ATOM 425 N LYS A 29 2.436 2.878 9.290 1.00 0.00 N ATOM 426 CA LYS A 29 2.656 2.525 10.687 1.00 0.00 C ATOM 427 C LYS A 29 2.548 3.754 11.583 1.00 0.00 C ATOM 428 O LYS A 29 2.007 3.683 12.687 1.00 0.00 O ATOM 429 CB LYS A 29 4.031 1.874 10.860 1.00 0.00 C ATOM 430 CG LYS A 29 4.026 0.372 10.637 1.00 0.00 C ATOM 431 CD LYS A 29 3.785 -0.383 11.933 1.00 0.00 C ATOM 432 CE LYS A 29 4.875 -0.098 12.955 1.00 0.00 C ATOM 433 NZ LYS A 29 5.069 -1.239 13.891 1.00 0.00 N ATOM 0 H LYS A 29 3.058 3.605 8.936 1.00 0.00 H new ATOM 0 HA LYS A 29 1.884 1.814 10.981 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.731 2.334 10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.398 2.082 11.865 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.252 0.113 9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.979 0.064 10.207 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.816 -0.101 12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.746 -1.453 11.730 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.812 0.111 12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.617 0.797 13.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.820 -1.006 14.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.183 -1.423 14.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.340 -2.087 13.353 1.00 0.00 H new ATOM 447 N ILE A 30 3.064 4.879 11.101 1.00 0.00 N ATOM 448 CA ILE A 30 3.022 6.124 11.858 1.00 0.00 C ATOM 449 C ILE A 30 1.586 6.586 12.079 1.00 0.00 C ATOM 450 O ILE A 30 1.094 6.603 13.207 1.00 0.00 O ATOM 451 CB ILE A 30 3.805 7.243 11.145 1.00 0.00 C ATOM 452 CG1 ILE A 30 5.296 6.901 11.097 1.00 0.00 C ATOM 453 CG2 ILE A 30 3.584 8.574 11.847 1.00 0.00 C ATOM 454 CD1 ILE A 30 5.628 5.782 10.135 1.00 0.00 C ATOM 0 H ILE A 30 3.516 4.954 10.190 1.00 0.00 H new ATOM 0 HA ILE A 30 3.488 5.922 12.822 1.00 0.00 H new ATOM 0 HB ILE A 30 3.438 7.328 10.122 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.856 7.792 10.813 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.629 6.621 12.096 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.144 9.355 11.332 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.522 8.820 11.834 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.928 8.503 12.879 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.701 5.593 10.153 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.096 4.878 10.431 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.327 6.067 9.127 1.00 0.00 H new ATOM 466 N CYS A 31 0.916 6.957 10.993 1.00 0.00 N ATOM 467 CA CYS A 31 -0.465 7.418 11.066 1.00 0.00 C ATOM 468 C CYS A 31 -1.429 6.237 11.143 1.00 0.00 C ATOM 469 O CYS A 31 -2.383 6.251 11.920 1.00 0.00 O ATOM 470 CB CYS A 31 -0.801 8.285 9.851 1.00 0.00 C ATOM 471 SG CYS A 31 -0.896 7.363 8.282 1.00 0.00 S ATOM 0 H CYS A 31 1.308 6.947 10.051 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.575 8.015 11.971 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.755 8.783 10.026 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.047 9.066 9.756 1.00 0.00 H new ATOM 476 N MET A 32 -1.171 5.216 10.331 1.00 0.00 N ATOM 477 CA MET A 32 -2.015 4.027 10.309 1.00 0.00 C ATOM 478 C MET A 32 -3.447 4.383 9.922 1.00 0.00 C ATOM 479 O MET A 32 -4.401 3.925 10.550 1.00 0.00 O ATOM 480 CB MET A 32 -2.000 3.339 11.675 1.00 0.00 C ATOM 481 CG MET A 32 -0.865 2.341 11.841 1.00 0.00 C ATOM 482 SD MET A 32 -1.291 0.981 12.945 1.00 0.00 S ATOM 483 CE MET A 32 -2.249 -0.059 11.846 1.00 0.00 C ATOM 0 H MET A 32 -0.386 5.189 9.681 1.00 0.00 H new ATOM 0 HA MET A 32 -1.615 3.343 9.561 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.922 4.098 12.454 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.950 2.825 11.824 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.594 1.940 10.865 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.013 2.857 12.229 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.149 -0.398 12.358 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.528 0.509 10.959 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.653 -0.923 11.551 1.00 0.00 H new ATOM 493 N ASP A 33 -3.588 5.201 8.885 1.00 0.00 N ATOM 494 CA ASP A 33 -4.904 5.618 8.414 1.00 0.00 C ATOM 495 C ASP A 33 -5.016 5.455 6.901 1.00 0.00 C ATOM 496 O ASP A 33 -6.051 5.027 6.389 1.00 0.00 O ATOM 497 CB ASP A 33 -5.172 7.072 8.804 1.00 0.00 C ATOM 498 CG ASP A 33 -5.818 7.196 10.169 1.00 0.00 C ATOM 499 OD1 ASP A 33 -7.051 7.019 10.260 1.00 0.00 O ATOM 500 OD2 ASP A 33 -5.092 7.471 11.148 1.00 0.00 O ATOM 0 H ASP A 33 -2.808 5.589 8.355 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.651 4.980 8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.233 7.626 8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.818 7.532 8.056 1.00 0.00 H new ATOM 505 N ARG A 34 -3.946 5.800 6.193 1.00 0.00 N ATOM 506 CA ARG A 34 -3.926 5.694 4.739 1.00 0.00 C ATOM 507 C ARG A 34 -2.871 4.690 4.282 1.00 0.00 C ATOM 508 O ARG A 34 -1.862 4.485 4.955 1.00 0.00 O ATOM 509 CB ARG A 34 -3.650 7.061 4.111 1.00 0.00 C ATOM 510 CG ARG A 34 -4.517 8.176 4.673 1.00 0.00 C ATOM 511 CD ARG A 34 -4.065 9.539 4.173 1.00 0.00 C ATOM 512 NE ARG A 34 -5.150 10.516 4.190 1.00 0.00 N ATOM 513 CZ ARG A 34 -6.002 10.685 3.185 1.00 0.00 C ATOM 514 NH1 ARG A 34 -5.895 9.947 2.090 1.00 0.00 N ATOM 515 NH2 ARG A 34 -6.964 11.595 3.276 1.00 0.00 N ATOM 0 H ARG A 34 -3.082 6.155 6.602 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.904 5.342 4.411 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.601 7.316 4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.809 6.996 3.035 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.556 8.009 4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.477 8.155 5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.244 9.898 4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.680 9.443 3.158 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.260 11.101 5.019 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.157 9.247 2.017 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.551 10.079 1.320 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.049 12.165 4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.618 11.725 2.504 1.00 0.00 H new ATOM 529 N ASN A 35 -3.113 4.067 3.133 1.00 0.00 N ATOM 530 CA ASN A 35 -2.185 3.084 2.587 1.00 0.00 C ATOM 531 C ASN A 35 -0.883 3.748 2.152 1.00 0.00 C ATOM 532 O ASN A 35 -0.885 4.873 1.653 1.00 0.00 O ATOM 533 CB ASN A 35 -2.821 2.357 1.400 1.00 0.00 C ATOM 534 CG ASN A 35 -3.604 3.293 0.500 1.00 0.00 C ATOM 535 OD1 ASN A 35 -4.797 3.518 0.708 1.00 0.00 O ATOM 536 ND2 ASN A 35 -2.936 3.844 -0.506 1.00 0.00 N ATOM 0 H ASN A 35 -3.944 4.226 2.563 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.959 2.360 3.370 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.041 1.866 0.818 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.483 1.574 1.770 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.411 4.482 -1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.948 3.629 -0.641 1.00 0.00 H new ATOM 543 N ILE A 36 0.227 3.044 2.345 1.00 0.00 N ATOM 544 CA ILE A 36 1.537 3.564 1.972 1.00 0.00 C ATOM 545 C ILE A 36 1.816 3.337 0.490 1.00 0.00 C ATOM 546 O ILE A 36 1.478 2.291 -0.062 1.00 0.00 O ATOM 547 CB ILE A 36 2.659 2.912 2.801 1.00 0.00 C ATOM 548 CG1 ILE A 36 2.909 1.480 2.324 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.304 2.930 4.280 1.00 0.00 C ATOM 550 CD1 ILE A 36 1.798 0.519 2.689 1.00 0.00 C ATOM 0 H ILE A 36 0.246 2.111 2.758 1.00 0.00 H new ATOM 0 HA ILE A 36 1.522 4.635 2.177 1.00 0.00 H new ATOM 0 HB ILE A 36 3.575 3.486 2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.035 1.483 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.845 1.121 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.107 2.466 4.853 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.172 3.960 4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.378 2.377 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.042 -0.477 2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.686 0.487 3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.864 0.854 2.238 1.00 0.00 H new ATOM 562 N ALA A 37 2.438 4.323 -0.147 1.00 0.00 N ATOM 563 CA ALA A 37 2.768 4.230 -1.564 1.00 0.00 C ATOM 564 C ALA A 37 4.196 4.695 -1.827 1.00 0.00 C ATOM 565 O ALA A 37 4.590 4.898 -2.976 1.00 0.00 O ATOM 566 CB ALA A 37 1.784 5.046 -2.389 1.00 0.00 C ATOM 0 H ALA A 37 2.724 5.196 0.296 1.00 0.00 H new ATOM 0 HA ALA A 37 2.695 3.184 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.042 4.968 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.775 4.665 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.829 6.091 -2.081 1.00 0.00 H new ATOM 572 N ILE A 38 4.966 4.861 -0.758 1.00 0.00 N ATOM 573 CA ILE A 38 6.350 5.301 -0.874 1.00 0.00 C ATOM 574 C ILE A 38 7.275 4.441 -0.020 1.00 0.00 C ATOM 575 O ILE A 38 6.877 3.936 1.030 1.00 0.00 O ATOM 576 CB ILE A 38 6.509 6.775 -0.458 1.00 0.00 C ATOM 577 CG1 ILE A 38 5.825 7.692 -1.474 1.00 0.00 C ATOM 578 CG2 ILE A 38 7.982 7.132 -0.323 1.00 0.00 C ATOM 579 CD1 ILE A 38 6.313 7.494 -2.892 1.00 0.00 C ATOM 0 H ILE A 38 4.655 4.697 0.199 1.00 0.00 H new ATOM 0 HA ILE A 38 6.627 5.196 -1.923 1.00 0.00 H new ATOM 0 HB ILE A 38 6.030 6.916 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.749 7.519 -1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.990 8.730 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.078 8.177 -0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.442 6.498 0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.483 6.977 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.785 8.177 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.383 7.696 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.123 6.466 -3.202 1.00 0.00 H new ATOM 591 N VAL A 39 8.513 4.278 -0.477 1.00 0.00 N ATOM 592 CA VAL A 39 9.496 3.481 0.246 1.00 0.00 C ATOM 593 C VAL A 39 10.673 4.338 0.699 1.00 0.00 C ATOM 594 O VAL A 39 10.726 5.536 0.420 1.00 0.00 O ATOM 595 CB VAL A 39 10.023 2.320 -0.618 1.00 0.00 C ATOM 596 CG1 VAL A 39 8.884 1.663 -1.382 1.00 0.00 C ATOM 597 CG2 VAL A 39 11.101 2.814 -1.572 1.00 0.00 C ATOM 0 H VAL A 39 8.858 4.688 -1.345 1.00 0.00 H new ATOM 0 HA VAL A 39 8.990 3.072 1.121 1.00 0.00 H new ATOM 0 HB VAL A 39 10.466 1.572 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.276 0.845 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.150 1.274 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.409 2.399 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.463 1.981 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 39 10.685 3.581 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 39 11.928 3.234 -1.000 1.00 0.00 H new ATOM 607 N PHE A 40 11.615 3.717 1.400 1.00 0.00 N ATOM 608 CA PHE A 40 12.792 4.423 1.893 1.00 0.00 C ATOM 609 C PHE A 40 14.056 3.927 1.195 1.00 0.00 C ATOM 610 O PHE A 40 14.132 2.774 0.770 1.00 0.00 O ATOM 611 CB PHE A 40 12.926 4.240 3.406 1.00 0.00 C ATOM 612 CG PHE A 40 11.894 4.993 4.195 1.00 0.00 C ATOM 613 CD1 PHE A 40 11.601 6.314 3.895 1.00 0.00 C ATOM 614 CD2 PHE A 40 11.215 4.380 5.235 1.00 0.00 C ATOM 615 CE1 PHE A 40 10.652 7.010 4.620 1.00 0.00 C ATOM 616 CE2 PHE A 40 10.264 5.071 5.963 1.00 0.00 C ATOM 617 CZ PHE A 40 9.982 6.387 5.654 1.00 0.00 C ATOM 0 H PHE A 40 11.587 2.726 1.640 1.00 0.00 H new ATOM 0 HA PHE A 40 12.668 5.483 1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 40 12.850 3.179 3.644 1.00 0.00 H new ATOM 0 HB3 PHE A 40 13.919 4.566 3.717 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.120 6.805 3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.431 3.351 5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.435 8.040 4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.742 4.582 6.772 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.238 6.928 6.220 1.00 0.00 H new ATOM 627 N VAL A 41 15.045 4.807 1.081 1.00 0.00 N ATOM 628 CA VAL A 41 16.306 4.460 0.436 1.00 0.00 C ATOM 629 C VAL A 41 17.493 4.799 1.331 1.00 0.00 C ATOM 630 O VAL A 41 17.543 5.853 1.965 1.00 0.00 O ATOM 631 CB VAL A 41 16.467 5.190 -0.910 1.00 0.00 C ATOM 632 CG1 VAL A 41 17.867 4.979 -1.468 1.00 0.00 C ATOM 633 CG2 VAL A 41 15.413 4.719 -1.901 1.00 0.00 C ATOM 0 H VAL A 41 14.998 5.765 1.427 1.00 0.00 H new ATOM 0 HA VAL A 41 16.285 3.385 0.258 1.00 0.00 H new ATOM 0 HB VAL A 41 16.325 6.258 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.962 5.502 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.602 5.370 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.041 3.914 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.542 5.245 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.521 3.647 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.420 4.927 -1.502 1.00 0.00 H new ATOM 643 N PRO A 42 18.473 3.885 1.385 1.00 0.00 N ATOM 644 CA PRO A 42 18.425 2.626 0.635 1.00 0.00 C ATOM 645 C PRO A 42 17.369 1.669 1.178 1.00 0.00 C ATOM 646 O PRO A 42 16.548 1.143 0.426 1.00 0.00 O ATOM 647 CB PRO A 42 19.826 2.043 0.830 1.00 0.00 C ATOM 648 CG PRO A 42 20.309 2.635 2.109 1.00 0.00 C ATOM 649 CD PRO A 42 19.705 4.010 2.183 1.00 0.00 C ATOM 0 HA PRO A 42 18.156 2.783 -0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.798 0.955 0.883 1.00 0.00 H new ATOM 0 HB3 PRO A 42 20.482 2.304 0.000 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.002 2.028 2.961 1.00 0.00 H new ATOM 0 HG3 PRO A 42 21.398 2.685 2.129 1.00 0.00 H new ATOM 0 HD2 PRO A 42 19.490 4.300 3.212 1.00 0.00 H new ATOM 0 HD3 PRO A 42 20.375 4.766 1.773 1.00 0.00 H new ATOM 657 N CYS A 43 17.396 1.446 2.487 1.00 0.00 N ATOM 658 CA CYS A 43 16.442 0.552 3.131 1.00 0.00 C ATOM 659 C CYS A 43 15.014 0.880 2.703 1.00 0.00 C ATOM 660 O CYS A 43 14.504 1.965 2.982 1.00 0.00 O ATOM 661 CB CYS A 43 16.564 0.652 4.653 1.00 0.00 C ATOM 662 SG CYS A 43 15.925 2.208 5.351 1.00 0.00 S ATOM 0 H CYS A 43 18.069 1.873 3.123 1.00 0.00 H new ATOM 0 HA CYS A 43 16.671 -0.467 2.820 1.00 0.00 H new ATOM 0 HB2 CYS A 43 16.029 -0.183 5.105 1.00 0.00 H new ATOM 0 HB3 CYS A 43 17.613 0.546 4.930 1.00 0.00 H new ATOM 667 N GLY A 44 14.374 -0.066 2.022 1.00 0.00 N ATOM 668 CA GLY A 44 13.012 0.141 1.566 1.00 0.00 C ATOM 669 C GLY A 44 11.987 -0.459 2.508 1.00 0.00 C ATOM 670 O GLY A 44 11.826 -1.679 2.566 1.00 0.00 O ATOM 0 H GLY A 44 14.775 -0.972 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.825 1.210 1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.893 -0.299 0.576 1.00 0.00 H new ATOM 674 N HIS A 45 11.294 0.398 3.250 1.00 0.00 N ATOM 675 CA HIS A 45 10.280 -0.055 4.195 1.00 0.00 C ATOM 676 C HIS A 45 8.933 0.600 3.904 1.00 0.00 C ATOM 677 O HIS A 45 8.768 1.808 4.079 1.00 0.00 O ATOM 678 CB HIS A 45 10.712 0.257 5.628 1.00 0.00 C ATOM 679 CG HIS A 45 11.855 -0.585 6.106 1.00 0.00 C ATOM 680 ND1 HIS A 45 11.870 -1.799 6.705 1.00 0.00 N flip ATOM 681 CD2 HIS A 45 13.174 -0.200 5.991 1.00 0.00 C flip ATOM 682 CE1 HIS A 45 13.184 -2.122 6.937 1.00 0.00 C flip ATOM 683 NE2 HIS A 45 13.951 -1.141 6.497 1.00 0.00 N flip ATOM 0 H HIS A 45 11.416 1.410 3.215 1.00 0.00 H new ATOM 0 HA HIS A 45 10.171 -1.134 4.082 1.00 0.00 H new ATOM 0 HB2 HIS A 45 10.994 1.308 5.693 1.00 0.00 H new ATOM 0 HB3 HIS A 45 9.862 0.113 6.295 1.00 0.00 H new ATOM 0 HD1 HIS A 45 11.057 -2.368 6.940 1.00 0.00 H new ATOM 0 HD2 HIS A 45 13.518 0.726 5.555 1.00 0.00 H new ATOM 0 HE1 HIS A 45 13.534 -3.031 7.404 1.00 0.00 H new ATOM 691 N LEU A 46 7.974 -0.203 3.457 1.00 0.00 N ATOM 692 CA LEU A 46 6.641 0.298 3.140 1.00 0.00 C ATOM 693 C LEU A 46 5.846 0.574 4.412 1.00 0.00 C ATOM 694 O LEU A 46 4.691 0.168 4.535 1.00 0.00 O ATOM 695 CB LEU A 46 5.892 -0.706 2.264 1.00 0.00 C ATOM 696 CG LEU A 46 6.706 -1.364 1.149 1.00 0.00 C ATOM 697 CD1 LEU A 46 7.759 -0.402 0.620 1.00 0.00 C ATOM 698 CD2 LEU A 46 7.355 -2.647 1.648 1.00 0.00 C ATOM 0 H LEU A 46 8.095 -1.204 3.306 1.00 0.00 H new ATOM 0 HA LEU A 46 6.753 1.234 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.493 -1.491 2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.039 -0.199 1.813 1.00 0.00 H new ATOM 0 HG LEU A 46 6.030 -1.617 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.329 -0.887 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.272 0.489 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.432 -0.118 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.930 -3.101 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.018 -2.419 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.582 -3.341 1.978 1.00 0.00 H new ATOM 710 N VAL A 47 6.473 1.268 5.357 1.00 0.00 N ATOM 711 CA VAL A 47 5.823 1.601 6.619 1.00 0.00 C ATOM 712 C VAL A 47 5.522 3.093 6.706 1.00 0.00 C ATOM 713 O VAL A 47 5.217 3.616 7.778 1.00 0.00 O ATOM 714 CB VAL A 47 6.692 1.193 7.823 1.00 0.00 C ATOM 715 CG1 VAL A 47 7.053 -0.283 7.746 1.00 0.00 C ATOM 716 CG2 VAL A 47 7.945 2.054 7.891 1.00 0.00 C ATOM 0 H VAL A 47 7.430 1.610 5.272 1.00 0.00 H new ATOM 0 HA VAL A 47 4.888 1.042 6.650 1.00 0.00 H new ATOM 0 HB VAL A 47 6.117 1.354 8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.667 -0.553 8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.142 -0.881 7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.609 -0.474 6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.548 1.752 8.748 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.524 1.926 6.977 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.662 3.101 7.998 1.00 0.00 H new ATOM 726 N THR A 48 5.610 3.776 5.568 1.00 0.00 N ATOM 727 CA THR A 48 5.348 5.209 5.515 1.00 0.00 C ATOM 728 C THR A 48 4.656 5.593 4.212 1.00 0.00 C ATOM 729 O THR A 48 5.119 5.245 3.125 1.00 0.00 O ATOM 730 CB THR A 48 6.648 6.023 5.652 1.00 0.00 C ATOM 731 OG1 THR A 48 7.710 5.372 4.946 1.00 0.00 O ATOM 732 CG2 THR A 48 7.031 6.188 7.115 1.00 0.00 C ATOM 0 H THR A 48 5.861 3.360 4.671 1.00 0.00 H new ATOM 0 HA THR A 48 4.692 5.442 6.354 1.00 0.00 H new ATOM 0 HB THR A 48 6.479 7.011 5.223 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.559 5.541 5.405 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.952 6.766 7.187 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.233 6.710 7.643 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.183 5.207 7.564 1.00 0.00 H new ATOM 740 N CYS A 49 3.545 6.313 4.327 1.00 0.00 N ATOM 741 CA CYS A 49 2.789 6.745 3.158 1.00 0.00 C ATOM 742 C CYS A 49 3.298 8.091 2.648 1.00 0.00 C ATOM 743 O CYS A 49 4.091 8.759 3.311 1.00 0.00 O ATOM 744 CB CYS A 49 1.300 6.845 3.496 1.00 0.00 C ATOM 745 SG CYS A 49 0.918 8.031 4.824 1.00 0.00 S ATOM 0 H CYS A 49 3.148 6.610 5.219 1.00 0.00 H new ATOM 0 HA CYS A 49 2.927 6.003 2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.753 7.133 2.598 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.938 5.859 3.788 1.00 0.00 H new ATOM 750 N LYS A 50 2.835 8.483 1.466 1.00 0.00 N ATOM 751 CA LYS A 50 3.240 9.749 0.866 1.00 0.00 C ATOM 752 C LYS A 50 3.278 10.858 1.912 1.00 0.00 C ATOM 753 O LYS A 50 4.237 11.626 1.979 1.00 0.00 O ATOM 754 CB LYS A 50 2.281 10.131 -0.264 1.00 0.00 C ATOM 755 CG LYS A 50 2.160 9.070 -1.344 1.00 0.00 C ATOM 756 CD LYS A 50 1.064 9.411 -2.340 1.00 0.00 C ATOM 757 CE LYS A 50 -0.289 8.894 -1.879 1.00 0.00 C ATOM 758 NZ LYS A 50 -0.325 7.406 -1.824 1.00 0.00 N ATOM 0 H LYS A 50 2.178 7.942 0.904 1.00 0.00 H new ATOM 0 HA LYS A 50 4.243 9.625 0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.294 10.323 0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.620 11.062 -0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.111 8.972 -1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.948 8.104 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.015 10.492 -2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.307 8.981 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.516 9.299 -0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.064 9.251 -2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.313 7.083 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.153 7.016 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.160 7.079 -0.964 1.00 0.00 H new ATOM 772 N GLN A 51 2.230 10.935 2.726 1.00 0.00 N ATOM 773 CA GLN A 51 2.146 11.951 3.769 1.00 0.00 C ATOM 774 C GLN A 51 3.237 11.748 4.815 1.00 0.00 C ATOM 775 O GLN A 51 4.129 12.583 4.967 1.00 0.00 O ATOM 776 CB GLN A 51 0.770 11.914 4.436 1.00 0.00 C ATOM 777 CG GLN A 51 -0.328 12.554 3.601 1.00 0.00 C ATOM 778 CD GLN A 51 -1.520 12.981 4.434 1.00 0.00 C ATOM 779 OE1 GLN A 51 -1.412 13.161 5.647 1.00 0.00 O ATOM 780 NE2 GLN A 51 -2.667 13.145 3.786 1.00 0.00 N ATOM 0 H GLN A 51 1.428 10.307 2.684 1.00 0.00 H new ATOM 0 HA GLN A 51 2.291 12.926 3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.502 10.877 4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.828 12.424 5.398 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.076 13.422 3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.657 11.849 2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.712 12.985 2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.504 13.431 4.294 1.00 0.00 H new ATOM 789 N CYS A 52 3.160 10.634 5.535 1.00 0.00 N ATOM 790 CA CYS A 52 4.140 10.321 6.569 1.00 0.00 C ATOM 791 C CYS A 52 5.554 10.320 5.995 1.00 0.00 C ATOM 792 O CYS A 52 6.389 11.140 6.374 1.00 0.00 O ATOM 793 CB CYS A 52 3.832 8.961 7.198 1.00 0.00 C ATOM 794 SG CYS A 52 2.330 8.942 8.229 1.00 0.00 S ATOM 0 H CYS A 52 2.429 9.932 5.422 1.00 0.00 H new ATOM 0 HA CYS A 52 4.079 11.091 7.338 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.724 8.222 6.404 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.682 8.653 7.807 1.00 0.00 H new ATOM 799 N ALA A 53 5.814 9.393 5.079 1.00 0.00 N ATOM 800 CA ALA A 53 7.125 9.286 4.451 1.00 0.00 C ATOM 801 C ALA A 53 7.747 10.663 4.241 1.00 0.00 C ATOM 802 O ALA A 53 8.946 10.849 4.443 1.00 0.00 O ATOM 803 CB ALA A 53 7.017 8.547 3.126 1.00 0.00 C ATOM 0 H ALA A 53 5.134 8.705 4.755 1.00 0.00 H new ATOM 0 HA ALA A 53 7.775 8.720 5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.004 8.475 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.623 7.546 3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.347 9.091 2.460 1.00 0.00 H new ATOM 809 N GLU A 54 6.923 11.624 3.834 1.00 0.00 N ATOM 810 CA GLU A 54 7.395 12.983 3.596 1.00 0.00 C ATOM 811 C GLU A 54 7.757 13.671 4.909 1.00 0.00 C ATOM 812 O GLU A 54 8.778 14.351 5.005 1.00 0.00 O ATOM 813 CB GLU A 54 6.328 13.795 2.859 1.00 0.00 C ATOM 814 CG GLU A 54 6.125 13.365 1.415 1.00 0.00 C ATOM 815 CD GLU A 54 7.103 14.031 0.466 1.00 0.00 C ATOM 816 OE1 GLU A 54 7.550 15.157 0.767 1.00 0.00 O ATOM 817 OE2 GLU A 54 7.421 13.424 -0.579 1.00 0.00 O ATOM 0 H GLU A 54 5.927 11.487 3.663 1.00 0.00 H new ATOM 0 HA GLU A 54 8.290 12.926 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.382 13.705 3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.606 14.849 2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.234 12.283 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.107 13.604 1.108 1.00 0.00 H new ATOM 824 N ALA A 55 6.911 13.490 5.917 1.00 0.00 N ATOM 825 CA ALA A 55 7.141 14.092 7.225 1.00 0.00 C ATOM 826 C ALA A 55 8.449 13.599 7.834 1.00 0.00 C ATOM 827 O ALA A 55 9.260 14.391 8.313 1.00 0.00 O ATOM 828 CB ALA A 55 5.976 13.792 8.157 1.00 0.00 C ATOM 0 H ALA A 55 6.060 12.931 5.853 1.00 0.00 H new ATOM 0 HA ALA A 55 7.217 15.171 7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.162 14.248 9.130 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.058 14.200 7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.873 12.713 8.275 1.00 0.00 H new ATOM 834 N VAL A 56 8.648 12.285 7.812 1.00 0.00 N ATOM 835 CA VAL A 56 9.858 11.685 8.361 1.00 0.00 C ATOM 836 C VAL A 56 11.049 11.905 7.435 1.00 0.00 C ATOM 837 O VAL A 56 11.032 11.492 6.275 1.00 0.00 O ATOM 838 CB VAL A 56 9.678 10.174 8.599 1.00 0.00 C ATOM 839 CG1 VAL A 56 8.549 9.920 9.585 1.00 0.00 C ATOM 840 CG2 VAL A 56 9.421 9.455 7.283 1.00 0.00 C ATOM 0 H VAL A 56 7.986 11.615 7.420 1.00 0.00 H new ATOM 0 HA VAL A 56 10.049 12.175 9.316 1.00 0.00 H new ATOM 0 HB VAL A 56 10.598 9.779 9.029 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.436 8.847 9.741 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.780 10.402 10.535 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.620 10.328 9.187 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.296 8.388 7.469 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.516 9.851 6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.267 9.610 6.613 1.00 0.00 H new ATOM 850 N ASP A 57 12.083 12.557 7.955 1.00 0.00 N ATOM 851 CA ASP A 57 13.285 12.830 7.175 1.00 0.00 C ATOM 852 C ASP A 57 14.121 11.566 7.004 1.00 0.00 C ATOM 853 O ASP A 57 14.770 11.372 5.976 1.00 0.00 O ATOM 854 CB ASP A 57 14.119 13.920 7.849 1.00 0.00 C ATOM 855 CG ASP A 57 13.631 15.315 7.512 1.00 0.00 C ATOM 856 OD1 ASP A 57 13.159 15.520 6.373 1.00 0.00 O ATOM 857 OD2 ASP A 57 13.720 16.202 8.386 1.00 0.00 O ATOM 0 H ASP A 57 12.113 12.906 8.913 1.00 0.00 H new ATOM 0 HA ASP A 57 12.977 13.176 6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.090 13.779 8.930 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.160 13.819 7.542 1.00 0.00 H new ATOM 862 N LYS A 58 14.102 10.708 8.018 1.00 0.00 N ATOM 863 CA LYS A 58 14.857 9.461 7.981 1.00 0.00 C ATOM 864 C LYS A 58 13.987 8.285 8.412 1.00 0.00 C ATOM 865 O LYS A 58 13.124 8.422 9.279 1.00 0.00 O ATOM 866 CB LYS A 58 16.086 9.558 8.888 1.00 0.00 C ATOM 867 CG LYS A 58 15.753 9.898 10.330 1.00 0.00 C ATOM 868 CD LYS A 58 16.966 9.748 11.233 1.00 0.00 C ATOM 869 CE LYS A 58 17.758 11.044 11.322 1.00 0.00 C ATOM 870 NZ LYS A 58 18.968 10.896 12.177 1.00 0.00 N ATOM 0 H LYS A 58 13.571 10.854 8.877 1.00 0.00 H new ATOM 0 HA LYS A 58 15.182 9.293 6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.622 8.609 8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.761 10.317 8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.380 10.921 10.387 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.953 9.247 10.683 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.644 9.448 12.230 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.608 8.953 10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.056 11.357 10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.122 11.832 11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.481 11.800 12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.682 10.622 13.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.588 10.162 11.778 1.00 0.00 H new ATOM 884 N CYS A 59 14.220 7.128 7.801 1.00 0.00 N ATOM 885 CA CYS A 59 13.458 5.927 8.121 1.00 0.00 C ATOM 886 C CYS A 59 13.163 5.852 9.616 1.00 0.00 C ATOM 887 O CYS A 59 14.061 5.690 10.444 1.00 0.00 O ATOM 888 CB CYS A 59 14.224 4.679 7.678 1.00 0.00 C ATOM 889 SG CYS A 59 13.209 3.167 7.614 1.00 0.00 S ATOM 0 H CYS A 59 14.931 6.997 7.081 1.00 0.00 H new ATOM 0 HA CYS A 59 12.511 5.974 7.584 1.00 0.00 H new ATOM 0 HB2 CYS A 59 14.651 4.859 6.691 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.057 4.516 8.361 1.00 0.00 H new ATOM 894 N PRO A 60 11.876 5.972 9.972 1.00 0.00 N ATOM 895 CA PRO A 60 11.432 5.921 11.369 1.00 0.00 C ATOM 896 C PRO A 60 11.570 4.526 11.969 1.00 0.00 C ATOM 897 O PRO A 60 11.094 4.267 13.074 1.00 0.00 O ATOM 898 CB PRO A 60 9.958 6.326 11.288 1.00 0.00 C ATOM 899 CG PRO A 60 9.541 5.963 9.905 1.00 0.00 C ATOM 900 CD PRO A 60 10.754 6.168 9.039 1.00 0.00 C ATOM 0 HA PRO A 60 12.030 6.567 12.011 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.361 5.799 12.033 1.00 0.00 H new ATOM 0 HB3 PRO A 60 9.830 7.392 11.473 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.199 4.929 9.859 1.00 0.00 H new ATOM 0 HG3 PRO A 60 8.713 6.588 9.571 1.00 0.00 H new ATOM 0 HD2 PRO A 60 10.786 5.454 8.216 1.00 0.00 H new ATOM 0 HD3 PRO A 60 10.768 7.164 8.597 1.00 0.00 H new ATOM 908 N MET A 61 12.223 3.632 11.235 1.00 0.00 N ATOM 909 CA MET A 61 12.424 2.263 11.697 1.00 0.00 C ATOM 910 C MET A 61 13.908 1.913 11.728 1.00 0.00 C ATOM 911 O MET A 61 14.374 1.221 12.634 1.00 0.00 O ATOM 912 CB MET A 61 11.675 1.282 10.793 1.00 0.00 C ATOM 913 CG MET A 61 10.166 1.320 10.973 1.00 0.00 C ATOM 914 SD MET A 61 9.373 -0.235 10.522 1.00 0.00 S ATOM 915 CE MET A 61 8.445 -0.587 12.013 1.00 0.00 C ATOM 0 H MET A 61 12.622 3.830 10.318 1.00 0.00 H new ATOM 0 HA MET A 61 12.029 2.186 12.710 1.00 0.00 H new ATOM 0 HB2 MET A 61 11.914 1.504 9.753 1.00 0.00 H new ATOM 0 HB3 MET A 61 12.031 0.272 10.993 1.00 0.00 H new ATOM 0 HG2 MET A 61 9.934 1.554 12.012 1.00 0.00 H new ATOM 0 HG3 MET A 61 9.752 2.124 10.365 1.00 0.00 H new ATOM 0 HE1 MET A 61 7.603 -1.236 11.773 1.00 0.00 H new ATOM 0 HE2 MET A 61 9.092 -1.084 12.736 1.00 0.00 H new ATOM 0 HE3 MET A 61 8.074 0.345 12.439 1.00 0.00 H new ATOM 925 N CYS A 62 14.646 2.393 10.733 1.00 0.00 N ATOM 926 CA CYS A 62 16.078 2.130 10.646 1.00 0.00 C ATOM 927 C CYS A 62 16.880 3.409 10.864 1.00 0.00 C ATOM 928 O CYS A 62 18.111 3.389 10.866 1.00 0.00 O ATOM 929 CB CYS A 62 16.424 1.523 9.285 1.00 0.00 C ATOM 930 SG CYS A 62 15.267 0.228 8.733 1.00 0.00 S ATOM 0 H CYS A 62 14.276 2.967 9.975 1.00 0.00 H new ATOM 0 HA CYS A 62 16.340 1.420 11.430 1.00 0.00 H new ATOM 0 HB2 CYS A 62 16.446 2.318 8.539 1.00 0.00 H new ATOM 0 HB3 CYS A 62 17.428 1.102 9.331 1.00 0.00 H new ATOM 935 N TYR A 63 16.175 4.520 11.046 1.00 0.00 N ATOM 936 CA TYR A 63 16.820 5.809 11.262 1.00 0.00 C ATOM 937 C TYR A 63 17.810 6.117 10.142 1.00 0.00 C ATOM 938 O TYR A 63 18.763 6.874 10.329 1.00 0.00 O ATOM 939 CB TYR A 63 17.540 5.823 12.611 1.00 0.00 C ATOM 940 CG TYR A 63 16.622 6.081 13.785 1.00 0.00 C ATOM 941 CD1 TYR A 63 15.455 5.347 13.953 1.00 0.00 C ATOM 942 CD2 TYR A 63 16.924 7.058 14.725 1.00 0.00 C ATOM 943 CE1 TYR A 63 14.613 5.580 15.024 1.00 0.00 C ATOM 944 CE2 TYR A 63 16.088 7.297 15.800 1.00 0.00 C ATOM 945 CZ TYR A 63 14.934 6.556 15.944 1.00 0.00 C ATOM 946 OH TYR A 63 14.099 6.790 17.012 1.00 0.00 O ATOM 0 H TYR A 63 15.156 4.553 11.048 1.00 0.00 H new ATOM 0 HA TYR A 63 16.047 6.578 11.262 1.00 0.00 H new ATOM 0 HB2 TYR A 63 18.041 4.866 12.756 1.00 0.00 H new ATOM 0 HB3 TYR A 63 18.315 6.589 12.592 1.00 0.00 H new ATOM 0 HD1 TYR A 63 15.201 4.581 13.235 1.00 0.00 H new ATOM 0 HD2 TYR A 63 17.827 7.641 14.614 1.00 0.00 H new ATOM 0 HE1 TYR A 63 13.709 5.001 15.140 1.00 0.00 H new ATOM 0 HE2 TYR A 63 16.337 8.060 16.523 1.00 0.00 H new ATOM 0 HH TYR A 63 14.470 7.508 17.566 1.00 0.00 H new ATOM 956 N THR A 64 17.575 5.525 8.975 1.00 0.00 N ATOM 957 CA THR A 64 18.444 5.735 7.824 1.00 0.00 C ATOM 958 C THR A 64 17.974 6.920 6.988 1.00 0.00 C ATOM 959 O THR A 64 16.933 6.857 6.334 1.00 0.00 O ATOM 960 CB THR A 64 18.504 4.482 6.929 1.00 0.00 C ATOM 961 OG1 THR A 64 19.068 3.386 7.658 1.00 0.00 O ATOM 962 CG2 THR A 64 19.331 4.748 5.680 1.00 0.00 C ATOM 0 H THR A 64 16.790 4.897 8.802 1.00 0.00 H new ATOM 0 HA THR A 64 19.440 5.942 8.215 1.00 0.00 H new ATOM 0 HB THR A 64 17.488 4.230 6.625 1.00 0.00 H new ATOM 0 HG1 THR A 64 19.101 2.593 7.083 1.00 0.00 H new ATOM 0 HG21 THR A 64 19.359 3.849 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.881 5.563 5.113 1.00 0.00 H new ATOM 0 HG23 THR A 64 20.346 5.023 5.967 1.00 0.00 H new ATOM 970 N VAL A 65 18.748 8.001 7.014 1.00 0.00 N ATOM 971 CA VAL A 65 18.411 9.201 6.258 1.00 0.00 C ATOM 972 C VAL A 65 17.818 8.845 4.899 1.00 0.00 C ATOM 973 O VAL A 65 18.362 8.013 4.172 1.00 0.00 O ATOM 974 CB VAL A 65 19.646 10.097 6.048 1.00 0.00 C ATOM 975 CG1 VAL A 65 19.290 11.307 5.198 1.00 0.00 C ATOM 976 CG2 VAL A 65 20.224 10.528 7.387 1.00 0.00 C ATOM 0 H VAL A 65 19.613 8.070 7.551 1.00 0.00 H new ATOM 0 HA VAL A 65 17.671 9.747 6.843 1.00 0.00 H new ATOM 0 HB VAL A 65 20.405 9.522 5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 65 20.175 11.928 5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 65 18.926 10.974 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.514 11.887 5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 65 21.096 11.160 7.220 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.472 11.086 7.945 1.00 0.00 H new ATOM 0 HG23 VAL A 65 20.519 9.647 7.957 1.00 0.00 H new ATOM 986 N ILE A 66 16.702 9.481 4.562 1.00 0.00 N ATOM 987 CA ILE A 66 16.036 9.233 3.289 1.00 0.00 C ATOM 988 C ILE A 66 16.509 10.213 2.221 1.00 0.00 C ATOM 989 O ILE A 66 15.998 11.328 2.114 1.00 0.00 O ATOM 990 CB ILE A 66 14.505 9.339 3.425 1.00 0.00 C ATOM 991 CG1 ILE A 66 14.006 8.420 4.541 1.00 0.00 C ATOM 992 CG2 ILE A 66 13.832 8.993 2.105 1.00 0.00 C ATOM 993 CD1 ILE A 66 12.771 8.939 5.244 1.00 0.00 C ATOM 0 H ILE A 66 16.239 10.172 5.153 1.00 0.00 H new ATOM 0 HA ILE A 66 16.297 8.218 2.989 1.00 0.00 H new ATOM 0 HB ILE A 66 14.247 10.366 3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 66 13.790 7.437 4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.802 8.286 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.751 9.072 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 66 14.169 9.684 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 66 14.094 7.974 1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.474 8.237 6.023 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.988 9.908 5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.960 9.046 4.523 1.00 0.00 H new ATOM 1005 N THR A 67 17.489 9.789 1.429 1.00 0.00 N ATOM 1006 CA THR A 67 18.032 10.628 0.368 1.00 0.00 C ATOM 1007 C THR A 67 17.340 10.348 -0.962 1.00 0.00 C ATOM 1008 O THR A 67 17.862 10.681 -2.026 1.00 0.00 O ATOM 1009 CB THR A 67 19.548 10.411 0.201 1.00 0.00 C ATOM 1010 OG1 THR A 67 20.072 11.339 -0.756 1.00 0.00 O ATOM 1011 CG2 THR A 67 19.845 8.989 -0.249 1.00 0.00 C ATOM 0 H THR A 67 17.923 8.869 1.503 1.00 0.00 H new ATOM 0 HA THR A 67 17.851 11.663 0.658 1.00 0.00 H new ATOM 0 HB THR A 67 20.025 10.576 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 67 19.458 11.405 -1.517 1.00 0.00 H new ATOM 0 HG21 THR A 67 20.922 8.860 -0.360 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.470 8.286 0.495 1.00 0.00 H new ATOM 0 HG23 THR A 67 19.356 8.800 -1.205 1.00 0.00 H new ATOM 1019 N PHE A 68 16.163 9.736 -0.894 1.00 0.00 N ATOM 1020 CA PHE A 68 15.399 9.412 -2.093 1.00 0.00 C ATOM 1021 C PHE A 68 13.967 9.026 -1.738 1.00 0.00 C ATOM 1022 O PHE A 68 13.698 8.527 -0.645 1.00 0.00 O ATOM 1023 CB PHE A 68 16.072 8.271 -2.859 1.00 0.00 C ATOM 1024 CG PHE A 68 15.626 8.164 -4.289 1.00 0.00 C ATOM 1025 CD1 PHE A 68 14.528 7.391 -4.630 1.00 0.00 C ATOM 1026 CD2 PHE A 68 16.306 8.835 -5.293 1.00 0.00 C ATOM 1027 CE1 PHE A 68 14.114 7.291 -5.945 1.00 0.00 C ATOM 1028 CE2 PHE A 68 15.897 8.738 -6.609 1.00 0.00 C ATOM 1029 CZ PHE A 68 14.801 7.964 -6.936 1.00 0.00 C ATOM 0 H PHE A 68 15.717 9.454 -0.021 1.00 0.00 H new ATOM 0 HA PHE A 68 15.371 10.299 -2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 68 17.152 8.414 -2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 68 15.863 7.330 -2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.989 6.860 -3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 68 17.165 9.440 -5.044 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.255 6.687 -6.197 1.00 0.00 H new ATOM 0 HE2 PHE A 68 16.434 9.267 -7.382 1.00 0.00 H new ATOM 0 HZ PHE A 68 14.482 7.885 -7.965 1.00 0.00 H new ATOM 1039 N LYS A 69 13.049 9.261 -2.670 1.00 0.00 N ATOM 1040 CA LYS A 69 11.643 8.938 -2.458 1.00 0.00 C ATOM 1041 C LYS A 69 11.086 8.135 -3.630 1.00 0.00 C ATOM 1042 O LYS A 69 10.840 8.681 -4.705 1.00 0.00 O ATOM 1043 CB LYS A 69 10.827 10.218 -2.270 1.00 0.00 C ATOM 1044 CG LYS A 69 11.273 11.056 -1.084 1.00 0.00 C ATOM 1045 CD LYS A 69 10.907 10.395 0.235 1.00 0.00 C ATOM 1046 CE LYS A 69 10.682 11.426 1.331 1.00 0.00 C ATOM 1047 NZ LYS A 69 11.920 12.198 1.627 1.00 0.00 N ATOM 0 H LYS A 69 13.254 9.674 -3.580 1.00 0.00 H new ATOM 0 HA LYS A 69 11.568 8.331 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.897 10.820 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.777 9.954 -2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.351 11.207 -1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.810 12.041 -1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.005 9.797 0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.702 9.712 0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.890 12.111 1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.341 10.925 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.745 12.842 2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.688 11.541 1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.193 12.750 0.789 1.00 0.00 H new ATOM 1061 N GLN A 70 10.890 6.839 -3.413 1.00 0.00 N ATOM 1062 CA GLN A 70 10.362 5.963 -4.452 1.00 0.00 C ATOM 1063 C GLN A 70 8.934 5.534 -4.129 1.00 0.00 C ATOM 1064 O GLN A 70 8.533 5.499 -2.966 1.00 0.00 O ATOM 1065 CB GLN A 70 11.253 4.730 -4.611 1.00 0.00 C ATOM 1066 CG GLN A 70 11.264 4.164 -6.022 1.00 0.00 C ATOM 1067 CD GLN A 70 9.970 3.459 -6.378 1.00 0.00 C ATOM 1068 OE1 GLN A 70 9.212 3.920 -7.231 1.00 0.00 O ATOM 1069 NE2 GLN A 70 9.711 2.332 -5.724 1.00 0.00 N ATOM 0 H GLN A 70 11.089 6.372 -2.528 1.00 0.00 H new ATOM 0 HA GLN A 70 10.352 6.519 -5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.272 4.989 -4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.915 3.957 -3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.440 4.972 -6.732 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.094 3.465 -6.122 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.368 1.986 -5.024 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.856 1.813 -5.922 1.00 0.00 H new ATOM 1078 N LYS A 71 8.170 5.209 -5.166 1.00 0.00 N ATOM 1079 CA LYS A 71 6.787 4.782 -4.994 1.00 0.00 C ATOM 1080 C LYS A 71 6.577 3.380 -5.556 1.00 0.00 C ATOM 1081 O LYS A 71 6.902 3.109 -6.712 1.00 0.00 O ATOM 1082 CB LYS A 71 5.838 5.766 -5.683 1.00 0.00 C ATOM 1083 CG LYS A 71 6.277 6.155 -7.084 1.00 0.00 C ATOM 1084 CD LYS A 71 5.506 7.360 -7.595 1.00 0.00 C ATOM 1085 CE LYS A 71 5.777 8.596 -6.751 1.00 0.00 C ATOM 1086 NZ LYS A 71 5.499 9.852 -7.500 1.00 0.00 N ATOM 0 H LYS A 71 8.486 5.233 -6.136 1.00 0.00 H new ATOM 0 HA LYS A 71 6.569 4.763 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.843 5.324 -5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.757 6.666 -5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.344 6.378 -7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.128 5.313 -7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.783 7.558 -8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.438 7.140 -7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.160 8.565 -5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.817 8.591 -6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.696 10.671 -6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.106 9.895 -8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.501 9.869 -7.791 1.00 0.00 H new ATOM 1100 N ILE A 72 6.030 2.493 -4.731 1.00 0.00 N ATOM 1101 CA ILE A 72 5.774 1.120 -5.147 1.00 0.00 C ATOM 1102 C ILE A 72 4.469 1.016 -5.928 1.00 0.00 C ATOM 1103 O ILE A 72 4.325 0.167 -6.808 1.00 0.00 O ATOM 1104 CB ILE A 72 5.713 0.167 -3.938 1.00 0.00 C ATOM 1105 CG1 ILE A 72 4.364 0.294 -3.229 1.00 0.00 C ATOM 1106 CG2 ILE A 72 6.854 0.460 -2.975 1.00 0.00 C ATOM 1107 CD1 ILE A 72 4.276 1.489 -2.306 1.00 0.00 C ATOM 0 H ILE A 72 5.756 2.701 -3.771 1.00 0.00 H new ATOM 0 HA ILE A 72 6.604 0.826 -5.790 1.00 0.00 H new ATOM 0 HB ILE A 72 5.819 -0.857 -4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.575 0.364 -3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.178 -0.613 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.798 -0.221 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.806 0.323 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.776 1.488 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.292 1.515 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.043 1.411 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.430 2.403 -2.879 1.00 0.00 H new ATOM 1119 N PHE A 73 3.519 1.887 -5.602 1.00 0.00 N ATOM 1120 CA PHE A 73 2.225 1.894 -6.273 1.00 0.00 C ATOM 1121 C PHE A 73 1.506 0.561 -6.084 1.00 0.00 C ATOM 1122 O PHE A 73 1.094 -0.077 -7.052 1.00 0.00 O ATOM 1123 CB PHE A 73 2.402 2.183 -7.765 1.00 0.00 C ATOM 1124 CG PHE A 73 2.429 3.649 -8.093 1.00 0.00 C ATOM 1125 CD1 PHE A 73 1.470 4.505 -7.576 1.00 0.00 C ATOM 1126 CD2 PHE A 73 3.413 4.170 -8.917 1.00 0.00 C ATOM 1127 CE1 PHE A 73 1.492 5.854 -7.876 1.00 0.00 C ATOM 1128 CE2 PHE A 73 3.440 5.518 -9.221 1.00 0.00 C ATOM 1129 CZ PHE A 73 2.479 6.361 -8.699 1.00 0.00 C ATOM 0 H PHE A 73 3.622 2.597 -4.877 1.00 0.00 H new ATOM 0 HA PHE A 73 1.617 2.681 -5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.330 1.725 -8.108 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.590 1.710 -8.317 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.697 4.114 -6.931 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.168 3.515 -9.327 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.738 6.511 -7.467 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.212 5.911 -9.866 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.499 7.415 -8.934 1.00 0.00 H new ATOM 1139 N MET A 74 1.360 0.148 -4.829 1.00 0.00 N ATOM 1140 CA MET A 74 0.691 -1.109 -4.512 1.00 0.00 C ATOM 1141 C MET A 74 -0.618 -1.238 -5.285 1.00 0.00 C ATOM 1142 O MET A 74 -0.842 -2.227 -5.983 1.00 0.00 O ATOM 1143 CB MET A 74 0.421 -1.202 -3.009 1.00 0.00 C ATOM 1144 CG MET A 74 1.512 -1.927 -2.239 1.00 0.00 C ATOM 1145 SD MET A 74 1.402 -1.658 -0.459 1.00 0.00 S ATOM 1146 CE MET A 74 3.070 -1.114 -0.096 1.00 0.00 C ATOM 0 H MET A 74 1.695 0.665 -4.016 1.00 0.00 H new ATOM 0 HA MET A 74 1.348 -1.927 -4.807 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.310 -0.196 -2.605 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.527 -1.715 -2.850 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.449 -2.995 -2.446 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.486 -1.591 -2.594 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.316 -1.360 0.937 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.770 -1.615 -0.765 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.140 -0.036 -0.239 1.00 0.00 H new ATOM 1156 N SER A 75 -1.478 -0.233 -5.156 1.00 0.00 N ATOM 1157 CA SER A 75 -2.766 -0.236 -5.839 1.00 0.00 C ATOM 1158 C SER A 75 -2.654 0.418 -7.213 1.00 0.00 C ATOM 1159 O SER A 75 -1.979 1.438 -7.342 1.00 0.00 O ATOM 1160 CB SER A 75 -3.815 0.494 -4.999 1.00 0.00 C ATOM 1161 OG SER A 75 -3.490 1.866 -4.856 1.00 0.00 O ATOM 0 H SER A 75 -1.306 0.594 -4.584 1.00 0.00 H new ATOM 0 HA SER A 75 -3.075 -1.273 -5.973 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.794 0.396 -5.469 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.885 0.029 -4.015 1.00 0.00 H new ATOM 0 HG SER A 75 -4.177 2.310 -4.317 1.00 0.00 H new TER 1167 SER A 75 HETATM 1168 ZN ZN A 201 0.963 7.460 6.938 1.00 0.00 ZN HETATM 1169 ZN ZN A 401 14.275 1.346 6.857 1.00 0.00 ZN