USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=20 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 NoAdj-H: A 45 HIS HD1 : A 45 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 29 LYS NZ :NH3+ -158:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 LYS NZ :NH3+ 171:sc= -0.277 (180deg=-0.414) USER MOD Set 2.2: A 35 ASN : amide:sc= -0.253 K(o=-0.53,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0583 (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 16:sc= 0.145 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 K(o=0,f=-1.4) 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= -0.278 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0365 F(o=-0.58,f=-0.037) USER MOD Single : A 23 GLN :FLIP amide:sc= -6.07! C(o=-6.7!,f=-6.1!) USER MOD Single : A 32 MET CE :methyl 173:sc= -0.41 (180deg=-0.499) USER MOD Single : A 48 THR OG1 : rot -153:sc= -0.454 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -3.35! C(o=-3.4!,f=-4.2!) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00664) 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 -41:sc= 1.07 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -3.72! C(o=-3.7!,f=-3.9!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 156:sc= 0 (180deg=-0.677) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.550 -36.708 29.323 1.00 0.00 N ATOM 2 CA GLY A 1 -36.811 -35.729 28.548 1.00 0.00 C ATOM 3 C GLY A 1 -36.564 -36.184 27.123 1.00 0.00 C ATOM 4 O GLY A 1 -36.575 -37.380 26.836 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.541 -36.404 29.412 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.513 -37.630 28.844 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.127 -36.792 30.269 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.362 -34.789 28.535 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.855 -35.532 29.034 1.00 0.00 H new ATOM 8 N SER A 2 -36.342 -35.226 26.229 1.00 0.00 N ATOM 9 CA SER A 2 -36.096 -35.534 24.824 1.00 0.00 C ATOM 10 C SER A 2 -35.516 -34.326 24.097 1.00 0.00 C ATOM 11 O SER A 2 -35.855 -33.182 24.401 1.00 0.00 O ATOM 12 CB SER A 2 -37.392 -35.979 24.144 1.00 0.00 C ATOM 13 OG SER A 2 -38.342 -34.928 24.119 1.00 0.00 O ATOM 0 H SER A 2 -36.327 -34.231 26.452 1.00 0.00 H new ATOM 0 HA SER A 2 -35.371 -36.347 24.777 1.00 0.00 H new ATOM 0 HB2 SER A 2 -37.179 -36.305 23.126 1.00 0.00 H new ATOM 0 HB3 SER A 2 -37.808 -36.837 24.673 1.00 0.00 H new ATOM 0 HG SER A 2 -39.161 -35.237 23.678 1.00 0.00 H new ATOM 19 N SER A 3 -34.638 -34.588 23.134 1.00 0.00 N ATOM 20 CA SER A 3 -34.006 -33.523 22.364 1.00 0.00 C ATOM 21 C SER A 3 -33.158 -34.099 21.233 1.00 0.00 C ATOM 22 O SER A 3 -32.954 -35.310 21.150 1.00 0.00 O ATOM 23 CB SER A 3 -33.138 -32.653 23.275 1.00 0.00 C ATOM 24 OG SER A 3 -33.024 -31.336 22.764 1.00 0.00 O ATOM 0 H SER A 3 -34.348 -35.529 22.868 1.00 0.00 H new ATOM 0 HA SER A 3 -34.793 -32.908 21.927 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.571 -32.622 24.275 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.147 -33.097 23.371 1.00 0.00 H new ATOM 0 HG SER A 3 -32.466 -30.799 23.365 1.00 0.00 H new ATOM 30 N GLY A 4 -32.667 -33.221 20.364 1.00 0.00 N ATOM 31 CA GLY A 4 -31.848 -33.660 19.249 1.00 0.00 C ATOM 32 C GLY A 4 -30.822 -32.622 18.840 1.00 0.00 C ATOM 33 O GLY A 4 -31.025 -31.425 19.044 1.00 0.00 O ATOM 0 H GLY A 4 -32.822 -32.214 20.412 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.337 -34.584 19.519 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.490 -33.887 18.398 1.00 0.00 H new ATOM 37 N SER A 5 -29.716 -33.081 18.263 1.00 0.00 N ATOM 38 CA SER A 5 -28.652 -32.184 17.829 1.00 0.00 C ATOM 39 C SER A 5 -27.796 -32.838 16.749 1.00 0.00 C ATOM 40 O SER A 5 -27.361 -33.981 16.893 1.00 0.00 O ATOM 41 CB SER A 5 -27.775 -31.786 19.018 1.00 0.00 C ATOM 42 OG SER A 5 -26.987 -32.878 19.459 1.00 0.00 O ATOM 0 H SER A 5 -29.534 -34.069 18.085 1.00 0.00 H new ATOM 0 HA SER A 5 -29.113 -31.290 17.411 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.127 -30.957 18.734 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.404 -31.434 19.836 1.00 0.00 H new ATOM 0 HG SER A 5 -26.980 -33.575 18.770 1.00 0.00 H new ATOM 48 N SER A 6 -27.559 -32.105 15.666 1.00 0.00 N ATOM 49 CA SER A 6 -26.759 -32.614 14.558 1.00 0.00 C ATOM 50 C SER A 6 -26.417 -31.497 13.576 1.00 0.00 C ATOM 51 O SER A 6 -27.245 -30.635 13.286 1.00 0.00 O ATOM 52 CB SER A 6 -27.508 -33.734 13.833 1.00 0.00 C ATOM 53 OG SER A 6 -28.584 -33.217 13.069 1.00 0.00 O ATOM 0 H SER A 6 -27.910 -31.157 15.532 1.00 0.00 H new ATOM 0 HA SER A 6 -25.830 -33.012 14.966 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.821 -34.272 13.181 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.886 -34.453 14.560 1.00 0.00 H new ATOM 0 HG SER A 6 -29.045 -33.952 12.614 1.00 0.00 H new ATOM 59 N GLY A 7 -25.188 -31.520 13.069 1.00 0.00 N ATOM 60 CA GLY A 7 -24.756 -30.505 12.126 1.00 0.00 C ATOM 61 C GLY A 7 -23.247 -30.373 12.066 1.00 0.00 C ATOM 62 O GLY A 7 -22.559 -30.582 13.065 1.00 0.00 O ATOM 0 H GLY A 7 -24.484 -32.223 13.294 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.136 -30.750 11.134 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.191 -29.545 12.406 1.00 0.00 H new ATOM 66 N SER A 8 -22.731 -30.026 10.891 1.00 0.00 N ATOM 67 CA SER A 8 -21.293 -29.872 10.704 1.00 0.00 C ATOM 68 C SER A 8 -20.801 -28.569 11.326 1.00 0.00 C ATOM 69 O SER A 8 -21.168 -27.479 10.886 1.00 0.00 O ATOM 70 CB SER A 8 -20.945 -29.902 9.215 1.00 0.00 C ATOM 71 OG SER A 8 -21.456 -31.070 8.595 1.00 0.00 O ATOM 0 H SER A 8 -23.287 -29.846 10.055 1.00 0.00 H new ATOM 0 HA SER A 8 -20.796 -30.704 11.203 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.353 -29.018 8.725 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.863 -29.864 9.090 1.00 0.00 H new ATOM 0 HG SER A 8 -21.222 -31.064 7.643 1.00 0.00 H new ATOM 77 N LEU A 9 -19.967 -28.689 12.354 1.00 0.00 N ATOM 78 CA LEU A 9 -19.423 -27.521 13.039 1.00 0.00 C ATOM 79 C LEU A 9 -18.614 -26.655 12.079 1.00 0.00 C ATOM 80 O LEU A 9 -17.443 -26.931 11.817 1.00 0.00 O ATOM 81 CB LEU A 9 -18.546 -27.958 14.213 1.00 0.00 C ATOM 82 CG LEU A 9 -19.238 -28.785 15.297 1.00 0.00 C ATOM 83 CD1 LEU A 9 -18.214 -29.558 16.114 1.00 0.00 C ATOM 84 CD2 LEU A 9 -20.077 -27.891 16.198 1.00 0.00 C ATOM 0 H LEU A 9 -19.653 -29.583 12.731 1.00 0.00 H new ATOM 0 HA LEU A 9 -20.257 -26.930 13.417 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -17.710 -28.537 13.820 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -18.125 -27.066 14.678 1.00 0.00 H new ATOM 0 HG LEU A 9 -19.901 -29.501 14.812 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -18.725 -30.141 16.881 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.657 -30.229 15.459 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.525 -28.859 16.588 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -20.562 -28.498 16.963 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -19.435 -27.150 16.675 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -20.836 -27.384 15.602 1.00 0.00 H new ATOM 96 N GLN A 10 -19.245 -25.607 11.560 1.00 0.00 N ATOM 97 CA GLN A 10 -18.582 -24.700 10.630 1.00 0.00 C ATOM 98 C GLN A 10 -18.466 -23.300 11.225 1.00 0.00 C ATOM 99 O GLN A 10 -19.395 -22.806 11.864 1.00 0.00 O ATOM 100 CB GLN A 10 -19.347 -24.643 9.307 1.00 0.00 C ATOM 101 CG GLN A 10 -19.506 -25.998 8.637 1.00 0.00 C ATOM 102 CD GLN A 10 -18.338 -26.344 7.735 1.00 0.00 C ATOM 103 OE1 GLN A 10 -17.228 -25.842 7.917 1.00 0.00 O ATOM 104 NE2 GLN A 10 -18.581 -27.205 6.754 1.00 0.00 N ATOM 0 H GLN A 10 -20.214 -25.365 11.767 1.00 0.00 H new ATOM 0 HA GLN A 10 -17.578 -25.081 10.444 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -20.334 -24.217 9.486 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -18.828 -23.969 8.626 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -19.609 -26.767 9.402 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -20.426 -26.004 8.052 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -19.516 -27.597 6.639 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -17.833 -27.475 6.115 1.00 0.00 H new ATOM 113 N LYS A 11 -17.319 -22.665 11.012 1.00 0.00 N ATOM 114 CA LYS A 11 -17.080 -21.322 11.525 1.00 0.00 C ATOM 115 C LYS A 11 -15.833 -20.711 10.893 1.00 0.00 C ATOM 116 O LYS A 11 -14.777 -21.341 10.849 1.00 0.00 O ATOM 117 CB LYS A 11 -16.928 -21.355 13.048 1.00 0.00 C ATOM 118 CG LYS A 11 -16.553 -20.012 13.651 1.00 0.00 C ATOM 119 CD LYS A 11 -17.785 -19.216 14.049 1.00 0.00 C ATOM 120 CE LYS A 11 -18.403 -18.511 12.852 1.00 0.00 C ATOM 121 NZ LYS A 11 -19.384 -17.470 13.267 1.00 0.00 N ATOM 0 H LYS A 11 -16.539 -23.060 10.487 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.939 -20.703 11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -17.864 -21.694 13.491 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.166 -22.088 13.313 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.922 -20.168 14.526 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.966 -19.440 12.932 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.520 -19.883 14.500 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.515 -18.480 14.807 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.616 -18.051 12.255 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.899 -19.244 12.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.783 -17.013 12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.149 -17.913 13.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.906 -16.757 13.854 1.00 0.00 H new ATOM 135 N GLU A 12 -15.964 -19.481 10.405 1.00 0.00 N ATOM 136 CA GLU A 12 -14.847 -18.786 9.776 1.00 0.00 C ATOM 137 C GLU A 12 -14.919 -17.286 10.046 1.00 0.00 C ATOM 138 O GLU A 12 -16.001 -16.729 10.229 1.00 0.00 O ATOM 139 CB GLU A 12 -14.841 -19.046 8.268 1.00 0.00 C ATOM 140 CG GLU A 12 -13.512 -18.730 7.602 1.00 0.00 C ATOM 141 CD GLU A 12 -13.632 -18.589 6.098 1.00 0.00 C ATOM 142 OE1 GLU A 12 -14.287 -17.627 5.643 1.00 0.00 O ATOM 143 OE2 GLU A 12 -13.073 -19.440 5.375 1.00 0.00 O ATOM 0 H GLU A 12 -16.832 -18.946 10.433 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.923 -19.170 10.207 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.089 -20.092 8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -15.623 -18.447 7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.112 -17.806 8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.797 -19.520 7.833 1.00 0.00 H new ATOM 150 N ILE A 13 -13.758 -16.639 10.068 1.00 0.00 N ATOM 151 CA ILE A 13 -13.689 -15.204 10.314 1.00 0.00 C ATOM 152 C ILE A 13 -14.127 -14.414 9.086 1.00 0.00 C ATOM 153 O ILE A 13 -13.831 -14.793 7.953 1.00 0.00 O ATOM 154 CB ILE A 13 -12.265 -14.769 10.710 1.00 0.00 C ATOM 155 CG1 ILE A 13 -11.710 -15.692 11.796 1.00 0.00 C ATOM 156 CG2 ILE A 13 -12.266 -13.324 11.185 1.00 0.00 C ATOM 157 CD1 ILE A 13 -10.243 -15.465 12.090 1.00 0.00 C ATOM 0 H ILE A 13 -12.853 -17.086 9.919 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.368 -14.992 11.140 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.621 -14.843 9.833 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.283 -15.547 12.712 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -11.855 -16.728 11.490 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.253 -13.031 11.461 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.625 -12.678 10.384 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.921 -13.226 12.051 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.917 -16.154 12.869 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.660 -15.638 11.186 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.094 -14.439 12.427 1.00 0.00 H new ATOM 169 N SER A 14 -14.833 -13.312 9.318 1.00 0.00 N ATOM 170 CA SER A 14 -15.314 -12.469 8.230 1.00 0.00 C ATOM 171 C SER A 14 -14.206 -11.549 7.726 1.00 0.00 C ATOM 172 O SER A 14 -13.260 -11.240 8.451 1.00 0.00 O ATOM 173 CB SER A 14 -16.511 -11.637 8.693 1.00 0.00 C ATOM 174 OG SER A 14 -17.338 -11.280 7.599 1.00 0.00 O ATOM 0 H SER A 14 -15.085 -12.982 10.250 1.00 0.00 H new ATOM 0 HA SER A 14 -15.626 -13.117 7.411 1.00 0.00 H new ATOM 0 HB2 SER A 14 -17.091 -12.203 9.422 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.159 -10.736 9.196 1.00 0.00 H new ATOM 0 HG SER A 14 -18.097 -10.750 7.922 1.00 0.00 H new ATOM 180 N THR A 15 -14.331 -11.114 6.476 1.00 0.00 N ATOM 181 CA THR A 15 -13.341 -10.231 5.871 1.00 0.00 C ATOM 182 C THR A 15 -12.974 -9.090 6.814 1.00 0.00 C ATOM 183 O THR A 15 -11.807 -8.717 6.925 1.00 0.00 O ATOM 184 CB THR A 15 -13.851 -9.641 4.543 1.00 0.00 C ATOM 185 OG1 THR A 15 -12.827 -8.847 3.934 1.00 0.00 O ATOM 186 CG2 THR A 15 -15.092 -8.790 4.770 1.00 0.00 C ATOM 0 H THR A 15 -15.108 -11.359 5.863 1.00 0.00 H new ATOM 0 HA THR A 15 -12.456 -10.836 5.674 1.00 0.00 H new ATOM 0 HB THR A 15 -14.112 -10.467 3.881 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.159 -8.477 3.089 1.00 0.00 H new ATOM 0 HG21 THR A 15 -15.434 -8.384 3.818 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.880 -9.404 5.206 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.853 -7.971 5.449 1.00 0.00 H new ATOM 194 N GLU A 16 -13.978 -8.541 7.490 1.00 0.00 N ATOM 195 CA GLU A 16 -13.759 -7.442 8.423 1.00 0.00 C ATOM 196 C GLU A 16 -12.641 -7.777 9.406 1.00 0.00 C ATOM 197 O GLU A 16 -11.630 -7.079 9.473 1.00 0.00 O ATOM 198 CB GLU A 16 -15.047 -7.127 9.187 1.00 0.00 C ATOM 199 CG GLU A 16 -16.078 -6.378 8.359 1.00 0.00 C ATOM 200 CD GLU A 16 -17.046 -5.583 9.213 1.00 0.00 C ATOM 201 OE1 GLU A 16 -16.702 -4.446 9.597 1.00 0.00 O ATOM 202 OE2 GLU A 16 -18.147 -6.098 9.498 1.00 0.00 O ATOM 0 H GLU A 16 -14.950 -8.839 7.409 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.463 -6.565 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.486 -8.059 9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.801 -6.535 10.068 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.567 -5.703 7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.636 -7.089 7.750 1.00 0.00 H new ATOM 209 N GLU A 17 -12.832 -8.851 10.166 1.00 0.00 N ATOM 210 CA GLU A 17 -11.841 -9.278 11.147 1.00 0.00 C ATOM 211 C GLU A 17 -10.540 -9.687 10.462 1.00 0.00 C ATOM 212 O GLU A 17 -9.470 -9.167 10.779 1.00 0.00 O ATOM 213 CB GLU A 17 -12.381 -10.444 11.977 1.00 0.00 C ATOM 214 CG GLU A 17 -13.101 -10.008 13.243 1.00 0.00 C ATOM 215 CD GLU A 17 -14.194 -8.993 12.972 1.00 0.00 C ATOM 216 OE1 GLU A 17 -15.009 -9.230 12.055 1.00 0.00 O ATOM 217 OE2 GLU A 17 -14.236 -7.962 13.676 1.00 0.00 O ATOM 0 H GLU A 17 -13.663 -9.441 10.121 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.635 -8.436 11.808 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.065 -11.030 11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.554 -11.100 12.247 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.534 -10.882 13.729 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.379 -9.581 13.939 1.00 0.00 H new ATOM 224 N GLN A 18 -10.641 -10.622 9.523 1.00 0.00 N ATOM 225 CA GLN A 18 -9.473 -11.102 8.794 1.00 0.00 C ATOM 226 C GLN A 18 -8.605 -9.937 8.329 1.00 0.00 C ATOM 227 O GLN A 18 -7.442 -9.822 8.717 1.00 0.00 O ATOM 228 CB GLN A 18 -9.905 -11.944 7.593 1.00 0.00 C ATOM 229 CG GLN A 18 -10.320 -13.359 7.959 1.00 0.00 C ATOM 230 CD GLN A 18 -10.739 -14.176 6.753 1.00 0.00 C ATOM 231 OE1 GLN A 18 -11.917 -13.879 6.217 1.00 0.00 O flip ATOM 232 NE2 GLN A 18 -10.011 -15.063 6.306 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.519 -11.062 9.249 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.884 -11.723 9.470 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.737 -11.448 7.093 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.084 -11.989 6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.491 -13.858 8.461 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.145 -13.319 8.670 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.113 -15.258 6.749 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.306 -15.603 5.492 1.00 0.00 H new ATOM 241 N LEU A 19 -9.178 -9.076 7.495 1.00 0.00 N ATOM 242 CA LEU A 19 -8.457 -7.919 6.975 1.00 0.00 C ATOM 243 C LEU A 19 -7.757 -7.164 8.100 1.00 0.00 C ATOM 244 O LEU A 19 -6.552 -6.919 8.041 1.00 0.00 O ATOM 245 CB LEU A 19 -9.416 -6.985 6.237 1.00 0.00 C ATOM 246 CG LEU A 19 -9.641 -7.286 4.755 1.00 0.00 C ATOM 247 CD1 LEU A 19 -9.853 -8.777 4.540 1.00 0.00 C ATOM 248 CD2 LEU A 19 -10.826 -6.495 4.223 1.00 0.00 C ATOM 0 H LEU A 19 -10.140 -9.157 7.164 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.700 -8.277 6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.381 -7.014 6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.040 -5.966 6.327 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.751 -6.982 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.012 -8.973 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.974 -9.323 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.726 -9.105 5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.971 -6.722 3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.724 -6.766 4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.634 -5.429 4.342 1.00 0.00 H new ATOM 260 N ARG A 20 -8.520 -6.798 9.125 1.00 0.00 N ATOM 261 CA ARG A 20 -7.973 -6.071 10.264 1.00 0.00 C ATOM 262 C ARG A 20 -6.643 -6.674 10.705 1.00 0.00 C ATOM 263 O ARG A 20 -5.848 -6.020 11.381 1.00 0.00 O ATOM 264 CB ARG A 20 -8.964 -6.087 11.430 1.00 0.00 C ATOM 265 CG ARG A 20 -10.086 -5.072 11.289 1.00 0.00 C ATOM 266 CD ARG A 20 -9.590 -3.655 11.533 1.00 0.00 C ATOM 267 NE ARG A 20 -10.689 -2.723 11.768 1.00 0.00 N ATOM 268 CZ ARG A 20 -10.522 -1.415 11.929 1.00 0.00 C ATOM 269 NH1 ARG A 20 -9.307 -0.888 11.879 1.00 0.00 N ATOM 270 NH2 ARG A 20 -11.572 -0.632 12.139 1.00 0.00 N ATOM 0 H ARG A 20 -9.519 -6.993 9.190 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.801 -5.040 9.956 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.396 -7.084 11.515 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.424 -5.893 12.357 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.517 -5.141 10.290 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.882 -5.307 11.996 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.919 -3.649 12.392 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.009 -3.321 10.673 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.637 -3.097 11.811 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.498 -1.487 11.717 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.181 0.117 12.003 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.509 -1.034 12.177 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.443 0.372 12.263 1.00 0.00 H new ATOM 284 N ARG A 21 -6.408 -7.923 10.319 1.00 0.00 N ATOM 285 CA ARG A 21 -5.174 -8.614 10.676 1.00 0.00 C ATOM 286 C ARG A 21 -4.040 -8.225 9.732 1.00 0.00 C ATOM 287 O ARG A 21 -3.013 -7.698 10.163 1.00 0.00 O ATOM 288 CB ARG A 21 -5.385 -10.129 10.639 1.00 0.00 C ATOM 289 CG ARG A 21 -6.591 -10.596 11.439 1.00 0.00 C ATOM 290 CD ARG A 21 -6.644 -12.113 11.532 1.00 0.00 C ATOM 291 NE ARG A 21 -6.705 -12.741 10.215 1.00 0.00 N ATOM 292 CZ ARG A 21 -6.312 -13.987 9.976 1.00 0.00 C ATOM 293 NH1 ARG A 21 -5.833 -14.735 10.960 1.00 0.00 N ATOM 294 NH2 ARG A 21 -6.399 -14.488 8.750 1.00 0.00 N ATOM 0 H ARG A 21 -7.055 -8.478 9.759 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.900 -8.316 11.688 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.502 -10.446 9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.492 -10.621 11.024 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.551 -10.170 12.442 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.504 -10.227 10.972 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.765 -12.474 12.065 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.515 -12.410 12.116 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.069 -12.193 9.436 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.765 -14.354 11.904 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.532 -15.692 10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.768 -13.916 7.990 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.097 -15.445 8.568 1.00 0.00 H new ATOM 308 N LEU A 22 -4.232 -8.487 8.444 1.00 0.00 N ATOM 309 CA LEU A 22 -3.226 -8.165 7.439 1.00 0.00 C ATOM 310 C LEU A 22 -3.328 -6.703 7.015 1.00 0.00 C ATOM 311 O LEU A 22 -2.322 -6.000 6.932 1.00 0.00 O ATOM 312 CB LEU A 22 -3.385 -9.074 6.219 1.00 0.00 C ATOM 313 CG LEU A 22 -4.820 -9.354 5.773 1.00 0.00 C ATOM 314 CD1 LEU A 22 -4.894 -9.479 4.260 1.00 0.00 C ATOM 315 CD2 LEU A 22 -5.351 -10.614 6.442 1.00 0.00 C ATOM 0 H LEU A 22 -5.076 -8.922 8.071 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.243 -8.329 7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.847 -8.625 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.901 -10.026 6.435 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.445 -8.515 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.923 -9.678 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.556 -8.550 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.256 -10.299 3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.374 -10.797 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.724 -11.463 6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.336 -10.485 7.524 1.00 0.00 H new ATOM 327 N GLN A 23 -4.551 -6.253 6.751 1.00 0.00 N ATOM 328 CA GLN A 23 -4.784 -4.875 6.338 1.00 0.00 C ATOM 329 C GLN A 23 -4.155 -3.897 7.325 1.00 0.00 C ATOM 330 O GLN A 23 -3.804 -2.775 6.961 1.00 0.00 O ATOM 331 CB GLN A 23 -6.284 -4.603 6.218 1.00 0.00 C ATOM 332 CG GLN A 23 -6.942 -5.325 5.053 1.00 0.00 C ATOM 333 CD GLN A 23 -8.175 -4.606 4.542 1.00 0.00 C ATOM 334 OE1 GLN A 23 -8.542 -4.873 3.294 1.00 0.00 O flip ATOM 335 NE2 GLN A 23 -8.791 -3.818 5.260 1.00 0.00 N flip ATOM 0 H GLN A 23 -5.395 -6.823 6.816 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.317 -4.730 5.364 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.774 -4.903 7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.443 -3.530 6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.223 -5.427 4.241 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.217 -6.333 5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.474 -3.642 6.213 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.618 -3.341 4.901 1.00 0.00 H new ATOM 344 N GLU A 24 -4.017 -4.330 8.574 1.00 0.00 N ATOM 345 CA GLU A 24 -3.432 -3.491 9.613 1.00 0.00 C ATOM 346 C GLU A 24 -1.935 -3.757 9.748 1.00 0.00 C ATOM 347 O GLU A 24 -1.220 -3.007 10.411 1.00 0.00 O ATOM 348 CB GLU A 24 -4.128 -3.739 10.952 1.00 0.00 C ATOM 349 CG GLU A 24 -3.499 -4.857 11.767 1.00 0.00 C ATOM 350 CD GLU A 24 -4.079 -4.958 13.164 1.00 0.00 C ATOM 351 OE1 GLU A 24 -5.250 -4.564 13.350 1.00 0.00 O ATOM 352 OE2 GLU A 24 -3.364 -5.431 14.072 1.00 0.00 O ATOM 0 H GLU A 24 -4.302 -5.257 8.891 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.574 -2.449 9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.110 -2.820 11.537 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.175 -3.979 10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.643 -5.805 11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.424 -4.691 11.835 1.00 0.00 H new ATOM 359 N GLU A 25 -1.471 -4.829 9.114 1.00 0.00 N ATOM 360 CA GLU A 25 -0.060 -5.194 9.164 1.00 0.00 C ATOM 361 C GLU A 25 0.611 -4.960 7.814 1.00 0.00 C ATOM 362 O GLU A 25 1.680 -5.504 7.536 1.00 0.00 O ATOM 363 CB GLU A 25 0.096 -6.659 9.576 1.00 0.00 C ATOM 364 CG GLU A 25 -0.434 -6.960 10.968 1.00 0.00 C ATOM 365 CD GLU A 25 0.568 -6.630 12.057 1.00 0.00 C ATOM 366 OE1 GLU A 25 1.151 -5.526 12.014 1.00 0.00 O ATOM 367 OE2 GLU A 25 0.770 -7.476 12.953 1.00 0.00 O ATOM 0 H GLU A 25 -2.051 -5.459 8.560 1.00 0.00 H new ATOM 0 HA GLU A 25 0.426 -4.561 9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.425 -7.288 8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.151 -6.930 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.348 -6.391 11.136 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.700 -8.015 11.031 1.00 0.00 H new ATOM 374 N LYS A 26 -0.023 -4.145 6.978 1.00 0.00 N ATOM 375 CA LYS A 26 0.511 -3.836 5.657 1.00 0.00 C ATOM 376 C LYS A 26 0.511 -2.331 5.408 1.00 0.00 C ATOM 377 O LYS A 26 1.367 -1.810 4.692 1.00 0.00 O ATOM 378 CB LYS A 26 -0.309 -4.542 4.575 1.00 0.00 C ATOM 379 CG LYS A 26 -1.664 -3.903 4.324 1.00 0.00 C ATOM 380 CD LYS A 26 -2.200 -4.253 2.946 1.00 0.00 C ATOM 381 CE LYS A 26 -3.715 -4.139 2.891 1.00 0.00 C ATOM 382 NZ LYS A 26 -4.200 -2.882 3.527 1.00 0.00 N ATOM 0 H LYS A 26 -0.908 -3.686 7.192 1.00 0.00 H new ATOM 0 HA LYS A 26 1.540 -4.193 5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.259 -4.546 3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.455 -5.583 4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.370 -4.235 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.580 -2.820 4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.757 -3.590 2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.901 -5.268 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.044 -4.171 1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.162 -4.996 3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.216 -2.766 3.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.043 -2.930 4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.680 -2.071 3.135 1.00 0.00 H new ATOM 396 N LEU A 27 -0.452 -1.638 6.005 1.00 0.00 N ATOM 397 CA LEU A 27 -0.562 -0.191 5.850 1.00 0.00 C ATOM 398 C LEU A 27 0.427 0.531 6.759 1.00 0.00 C ATOM 399 O LEU A 27 1.203 -0.101 7.476 1.00 0.00 O ATOM 400 CB LEU A 27 -1.987 0.268 6.161 1.00 0.00 C ATOM 401 CG LEU A 27 -2.404 0.213 7.631 1.00 0.00 C ATOM 402 CD1 LEU A 27 -1.690 -0.924 8.346 1.00 0.00 C ATOM 403 CD2 LEU A 27 -2.117 1.540 8.317 1.00 0.00 C ATOM 0 H LEU A 27 -1.168 -2.054 6.601 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.324 0.058 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.102 1.293 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.679 -0.346 5.585 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.477 0.028 7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.999 -0.948 9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.946 -1.871 7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.612 -0.769 8.290 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.420 1.482 9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.050 1.756 8.260 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.675 2.334 7.821 1.00 0.00 H new ATOM 415 N CYS A 28 0.393 1.859 6.725 1.00 0.00 N ATOM 416 CA CYS A 28 1.285 2.668 7.547 1.00 0.00 C ATOM 417 C CYS A 28 1.361 2.120 8.969 1.00 0.00 C ATOM 418 O CYS A 28 0.568 1.264 9.360 1.00 0.00 O ATOM 419 CB CYS A 28 0.808 4.122 7.573 1.00 0.00 C ATOM 420 SG CYS A 28 2.053 5.301 8.191 1.00 0.00 S ATOM 0 H CYS A 28 -0.243 2.398 6.137 1.00 0.00 H new ATOM 0 HA CYS A 28 2.282 2.627 7.108 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.514 4.415 6.565 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.083 4.190 8.197 1.00 0.00 H new ATOM 425 N LYS A 29 2.321 2.621 9.739 1.00 0.00 N ATOM 426 CA LYS A 29 2.502 2.184 11.118 1.00 0.00 C ATOM 427 C LYS A 29 2.559 3.379 12.064 1.00 0.00 C ATOM 428 O LYS A 29 2.211 3.268 13.241 1.00 0.00 O ATOM 429 CB LYS A 29 3.782 1.355 11.249 1.00 0.00 C ATOM 430 CG LYS A 29 3.777 0.092 10.406 1.00 0.00 C ATOM 431 CD LYS A 29 4.563 -1.026 11.072 1.00 0.00 C ATOM 432 CE LYS A 29 6.001 -0.611 11.344 1.00 0.00 C ATOM 433 NZ LYS A 29 6.712 -1.604 12.195 1.00 0.00 N ATOM 0 H LYS A 29 2.986 3.330 9.431 1.00 0.00 H new ATOM 0 HA LYS A 29 1.647 1.566 11.392 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.635 1.970 10.962 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.923 1.083 12.295 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.750 -0.232 10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.205 0.305 9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.080 -1.304 12.009 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.553 -1.910 10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.531 -0.497 10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.012 0.362 11.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.521 -1.146 12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.060 -1.973 12.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.053 -2.388 11.603 1.00 0.00 H new ATOM 447 N ILE A 30 2.996 4.520 11.543 1.00 0.00 N ATOM 448 CA ILE A 30 3.095 5.736 12.341 1.00 0.00 C ATOM 449 C ILE A 30 1.723 6.363 12.560 1.00 0.00 C ATOM 450 O ILE A 30 1.279 6.532 13.696 1.00 0.00 O ATOM 451 CB ILE A 30 4.021 6.772 11.677 1.00 0.00 C ATOM 452 CG1 ILE A 30 5.482 6.331 11.792 1.00 0.00 C ATOM 453 CG2 ILE A 30 3.824 8.141 12.310 1.00 0.00 C ATOM 454 CD1 ILE A 30 5.948 5.478 10.633 1.00 0.00 C ATOM 0 H ILE A 30 3.287 4.628 10.571 1.00 0.00 H new ATOM 0 HA ILE A 30 3.518 5.448 13.303 1.00 0.00 H new ATOM 0 HB ILE A 30 3.765 6.842 10.620 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.116 7.215 11.860 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.613 5.773 12.719 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.485 8.862 11.830 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.789 8.456 12.181 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.057 8.087 13.373 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.992 5.202 10.781 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.339 4.576 10.577 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.849 6.040 9.705 1.00 0.00 H new ATOM 466 N CYS A 31 1.054 6.707 11.464 1.00 0.00 N ATOM 467 CA CYS A 31 -0.269 7.314 11.534 1.00 0.00 C ATOM 468 C CYS A 31 -1.361 6.255 11.418 1.00 0.00 C ATOM 469 O CYS A 31 -2.407 6.354 12.059 1.00 0.00 O ATOM 470 CB CYS A 31 -0.434 8.356 10.426 1.00 0.00 C ATOM 471 SG CYS A 31 -0.586 7.646 8.755 1.00 0.00 S ATOM 0 H CYS A 31 1.407 6.575 10.516 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.365 7.805 12.503 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.319 8.957 10.636 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.422 9.031 10.446 1.00 0.00 H new ATOM 476 N MET A 32 -1.109 5.241 10.596 1.00 0.00 N ATOM 477 CA MET A 32 -2.070 4.163 10.397 1.00 0.00 C ATOM 478 C MET A 32 -3.396 4.705 9.871 1.00 0.00 C ATOM 479 O MET A 32 -4.465 4.333 10.355 1.00 0.00 O ATOM 480 CB MET A 32 -2.299 3.406 11.707 1.00 0.00 C ATOM 481 CG MET A 32 -1.115 2.552 12.130 1.00 0.00 C ATOM 482 SD MET A 32 -1.600 1.154 13.160 1.00 0.00 S ATOM 483 CE MET A 32 -1.856 -0.110 11.917 1.00 0.00 C ATOM 0 H MET A 32 -0.248 5.144 10.058 1.00 0.00 H new ATOM 0 HA MET A 32 -1.659 3.477 9.656 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.520 4.123 12.498 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.177 2.768 11.600 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.602 2.183 11.242 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.402 3.170 12.676 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.039 -1.068 12.404 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.716 0.154 11.301 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.969 -0.187 11.288 1.00 0.00 H new ATOM 493 N ASP A 33 -3.318 5.586 8.880 1.00 0.00 N ATOM 494 CA ASP A 33 -4.511 6.179 8.288 1.00 0.00 C ATOM 495 C ASP A 33 -4.617 5.826 6.808 1.00 0.00 C ATOM 496 O ASP A 33 -5.699 5.512 6.310 1.00 0.00 O ATOM 497 CB ASP A 33 -4.492 7.698 8.463 1.00 0.00 C ATOM 498 CG ASP A 33 -5.161 8.142 9.749 1.00 0.00 C ATOM 499 OD1 ASP A 33 -4.468 8.213 10.785 1.00 0.00 O ATOM 500 OD2 ASP A 33 -6.379 8.418 9.719 1.00 0.00 O ATOM 0 H ASP A 33 -2.441 5.905 8.470 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.382 5.773 8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.460 8.049 8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.995 8.165 7.616 1.00 0.00 H new ATOM 505 N ARG A 34 -3.487 5.880 6.110 1.00 0.00 N ATOM 506 CA ARG A 34 -3.454 5.568 4.686 1.00 0.00 C ATOM 507 C ARG A 34 -2.549 4.370 4.413 1.00 0.00 C ATOM 508 O ARG A 34 -1.703 4.019 5.234 1.00 0.00 O ATOM 509 CB ARG A 34 -2.968 6.780 3.888 1.00 0.00 C ATOM 510 CG ARG A 34 -3.762 8.046 4.160 1.00 0.00 C ATOM 511 CD ARG A 34 -3.330 9.182 3.247 1.00 0.00 C ATOM 512 NE ARG A 34 -4.366 10.203 3.114 1.00 0.00 N ATOM 513 CZ ARG A 34 -5.349 10.140 2.222 1.00 0.00 C ATOM 514 NH1 ARG A 34 -5.428 9.112 1.389 1.00 0.00 N ATOM 515 NH2 ARG A 34 -6.255 11.108 2.162 1.00 0.00 N ATOM 0 H ARG A 34 -2.583 6.137 6.507 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.467 5.316 4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.919 6.962 4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.022 6.549 2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.824 7.848 4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.629 8.343 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.421 9.637 3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.086 8.783 2.262 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.333 11.008 3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.733 8.367 1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.184 9.066 0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.197 11.901 2.801 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.009 11.059 1.477 1.00 0.00 H new ATOM 529 N ASN A 35 -2.735 3.746 3.254 1.00 0.00 N ATOM 530 CA ASN A 35 -1.937 2.587 2.873 1.00 0.00 C ATOM 531 C ASN A 35 -0.553 3.013 2.392 1.00 0.00 C ATOM 532 O ASN A 35 -0.424 3.915 1.563 1.00 0.00 O ATOM 533 CB ASN A 35 -2.647 1.790 1.777 1.00 0.00 C ATOM 534 CG ASN A 35 -4.002 1.275 2.223 1.00 0.00 C ATOM 535 OD1 ASN A 35 -4.141 0.115 2.610 1.00 0.00 O ATOM 536 ND2 ASN A 35 -5.010 2.139 2.170 1.00 0.00 N ATOM 0 H ASN A 35 -3.432 4.024 2.563 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.818 1.955 3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.773 2.420 0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.021 0.948 1.480 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.945 1.850 2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.849 3.091 1.842 1.00 0.00 H new ATOM 543 N ILE A 36 0.477 2.359 2.917 1.00 0.00 N ATOM 544 CA ILE A 36 1.851 2.669 2.540 1.00 0.00 C ATOM 545 C ILE A 36 2.057 2.510 1.037 1.00 0.00 C ATOM 546 O ILE A 36 1.802 1.446 0.475 1.00 0.00 O ATOM 547 CB ILE A 36 2.856 1.769 3.283 1.00 0.00 C ATOM 548 CG1 ILE A 36 2.443 0.301 3.164 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.955 2.181 4.744 1.00 0.00 C ATOM 550 CD1 ILE A 36 3.114 -0.425 2.019 1.00 0.00 C ATOM 0 H ILE A 36 0.387 1.611 3.605 1.00 0.00 H new ATOM 0 HA ILE A 36 2.029 3.707 2.821 1.00 0.00 H new ATOM 0 HB ILE A 36 3.838 1.889 2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.680 -0.211 4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.362 0.245 3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.669 1.536 5.256 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.290 3.216 4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.977 2.086 5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.774 -1.460 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.857 0.063 1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.195 -0.401 2.157 1.00 0.00 H new ATOM 562 N ALA A 37 2.523 3.576 0.394 1.00 0.00 N ATOM 563 CA ALA A 37 2.768 3.554 -1.043 1.00 0.00 C ATOM 564 C ALA A 37 4.112 4.189 -1.381 1.00 0.00 C ATOM 565 O ALA A 37 4.332 4.637 -2.506 1.00 0.00 O ATOM 566 CB ALA A 37 1.645 4.267 -1.781 1.00 0.00 C ATOM 0 H ALA A 37 2.738 4.465 0.845 1.00 0.00 H new ATOM 0 HA ALA A 37 2.796 2.513 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.841 4.243 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.699 3.767 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.589 5.303 -1.446 1.00 0.00 H new ATOM 572 N ILE A 38 5.008 4.224 -0.400 1.00 0.00 N ATOM 573 CA ILE A 38 6.331 4.804 -0.594 1.00 0.00 C ATOM 574 C ILE A 38 7.394 4.011 0.158 1.00 0.00 C ATOM 575 O ILE A 38 7.106 3.365 1.166 1.00 0.00 O ATOM 576 CB ILE A 38 6.376 6.271 -0.128 1.00 0.00 C ATOM 577 CG1 ILE A 38 5.346 7.104 -0.894 1.00 0.00 C ATOM 578 CG2 ILE A 38 7.773 6.844 -0.316 1.00 0.00 C ATOM 579 CD1 ILE A 38 5.623 7.192 -2.379 1.00 0.00 C ATOM 0 H ILE A 38 4.841 3.857 0.537 1.00 0.00 H new ATOM 0 HA ILE A 38 6.540 4.764 -1.663 1.00 0.00 H new ATOM 0 HB ILE A 38 6.129 6.307 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.357 6.673 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.322 8.111 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.789 7.881 0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.486 6.264 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.046 6.798 -1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.853 7.797 -2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.598 7.651 -2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.618 6.191 -2.810 1.00 0.00 H new ATOM 591 N VAL A 39 8.626 4.066 -0.338 1.00 0.00 N ATOM 592 CA VAL A 39 9.735 3.355 0.288 1.00 0.00 C ATOM 593 C VAL A 39 10.848 4.317 0.688 1.00 0.00 C ATOM 594 O VAL A 39 10.771 5.517 0.424 1.00 0.00 O ATOM 595 CB VAL A 39 10.314 2.280 -0.651 1.00 0.00 C ATOM 596 CG1 VAL A 39 9.202 1.607 -1.442 1.00 0.00 C ATOM 597 CG2 VAL A 39 11.350 2.888 -1.583 1.00 0.00 C ATOM 0 H VAL A 39 8.881 4.596 -1.172 1.00 0.00 H new ATOM 0 HA VAL A 39 9.338 2.872 1.181 1.00 0.00 H new ATOM 0 HB VAL A 39 10.807 1.520 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.630 0.851 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.501 1.135 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.678 2.353 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.748 2.114 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 39 10.885 3.669 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 39 12.161 3.318 -0.995 1.00 0.00 H new ATOM 607 N PHE A 40 11.884 3.782 1.326 1.00 0.00 N ATOM 608 CA PHE A 40 13.014 4.593 1.764 1.00 0.00 C ATOM 609 C PHE A 40 14.297 4.162 1.059 1.00 0.00 C ATOM 610 O PHE A 40 14.456 2.999 0.689 1.00 0.00 O ATOM 611 CB PHE A 40 13.190 4.484 3.280 1.00 0.00 C ATOM 612 CG PHE A 40 12.095 5.154 4.060 1.00 0.00 C ATOM 613 CD1 PHE A 40 11.653 6.420 3.712 1.00 0.00 C ATOM 614 CD2 PHE A 40 11.507 4.517 5.141 1.00 0.00 C ATOM 615 CE1 PHE A 40 10.647 7.039 4.429 1.00 0.00 C ATOM 616 CE2 PHE A 40 10.500 5.130 5.861 1.00 0.00 C ATOM 617 CZ PHE A 40 10.068 6.393 5.504 1.00 0.00 C ATOM 0 H PHE A 40 11.964 2.790 1.551 1.00 0.00 H new ATOM 0 HA PHE A 40 12.808 5.631 1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.231 3.431 3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.147 4.925 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.100 6.929 2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.840 3.529 5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.314 8.027 4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.051 4.623 6.702 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.280 6.874 6.064 1.00 0.00 H new ATOM 627 N VAL A 41 15.211 5.110 0.877 1.00 0.00 N ATOM 628 CA VAL A 41 16.481 4.831 0.217 1.00 0.00 C ATOM 629 C VAL A 41 17.657 5.289 1.072 1.00 0.00 C ATOM 630 O VAL A 41 17.631 6.354 1.688 1.00 0.00 O ATOM 631 CB VAL A 41 16.563 5.518 -1.159 1.00 0.00 C ATOM 632 CG1 VAL A 41 17.969 5.409 -1.728 1.00 0.00 C ATOM 633 CG2 VAL A 41 15.543 4.918 -2.115 1.00 0.00 C ATOM 0 H VAL A 41 15.096 6.078 1.177 1.00 0.00 H new ATOM 0 HA VAL A 41 16.534 3.751 0.079 1.00 0.00 H new ATOM 0 HB VAL A 41 16.330 6.575 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.007 5.900 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.674 5.890 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.235 4.358 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.615 5.415 -3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.742 3.853 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.540 5.055 -1.710 1.00 0.00 H new ATOM 643 N PRO A 42 18.716 4.466 1.112 1.00 0.00 N ATOM 644 CA PRO A 42 18.758 3.195 0.384 1.00 0.00 C ATOM 645 C PRO A 42 17.806 2.158 0.971 1.00 0.00 C ATOM 646 O PRO A 42 17.035 1.527 0.247 1.00 0.00 O ATOM 647 CB PRO A 42 20.211 2.740 0.547 1.00 0.00 C ATOM 648 CG PRO A 42 20.673 3.395 1.803 1.00 0.00 C ATOM 649 CD PRO A 42 19.952 4.713 1.873 1.00 0.00 C ATOM 0 HA PRO A 42 18.447 3.310 -0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 42 20.281 1.655 0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 42 20.819 3.044 -0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.443 2.778 2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 42 21.753 3.541 1.792 1.00 0.00 H new ATOM 0 HD2 PRO A 42 19.739 5.001 2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 42 20.541 5.517 1.433 1.00 0.00 H new ATOM 657 N CYS A 43 17.864 1.987 2.287 1.00 0.00 N ATOM 658 CA CYS A 43 17.008 1.026 2.973 1.00 0.00 C ATOM 659 C CYS A 43 15.545 1.233 2.590 1.00 0.00 C ATOM 660 O CYS A 43 14.959 2.276 2.876 1.00 0.00 O ATOM 661 CB CYS A 43 17.173 1.155 4.488 1.00 0.00 C ATOM 662 SG CYS A 43 16.429 2.661 5.192 1.00 0.00 S ATOM 0 H CYS A 43 18.495 2.502 2.901 1.00 0.00 H new ATOM 0 HA CYS A 43 17.308 0.024 2.666 1.00 0.00 H new ATOM 0 HB2 CYS A 43 16.726 0.284 4.967 1.00 0.00 H new ATOM 0 HB3 CYS A 43 18.236 1.141 4.729 1.00 0.00 H new ATOM 667 N GLY A 44 14.961 0.229 1.942 1.00 0.00 N ATOM 668 CA GLY A 44 13.573 0.320 1.530 1.00 0.00 C ATOM 669 C GLY A 44 12.634 -0.368 2.502 1.00 0.00 C ATOM 670 O GLY A 44 12.596 -1.597 2.576 1.00 0.00 O ATOM 0 H GLY A 44 15.425 -0.645 1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.292 1.369 1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.460 -0.127 0.542 1.00 0.00 H new ATOM 674 N HIS A 45 11.875 0.425 3.252 1.00 0.00 N ATOM 675 CA HIS A 45 10.933 -0.115 4.225 1.00 0.00 C ATOM 676 C HIS A 45 9.542 0.479 4.022 1.00 0.00 C ATOM 677 O HIS A 45 9.314 1.659 4.292 1.00 0.00 O ATOM 678 CB HIS A 45 11.418 0.168 5.647 1.00 0.00 C ATOM 679 CG HIS A 45 12.675 -0.564 6.008 1.00 0.00 C ATOM 680 ND1 HIS A 45 13.916 0.036 6.027 1.00 0.00 N ATOM 681 CD2 HIS A 45 12.876 -1.854 6.366 1.00 0.00 C ATOM 682 CE1 HIS A 45 14.827 -0.853 6.380 1.00 0.00 C ATOM 683 NE2 HIS A 45 14.222 -2.008 6.592 1.00 0.00 N ATOM 0 H HIS A 45 11.894 1.444 3.204 1.00 0.00 H new ATOM 0 HA HIS A 45 10.874 -1.193 4.077 1.00 0.00 H new ATOM 0 HB2 HIS A 45 11.586 1.239 5.758 1.00 0.00 H new ATOM 0 HB3 HIS A 45 10.633 -0.106 6.351 1.00 0.00 H new ATOM 0 HD2 HIS A 45 12.119 -2.619 6.457 1.00 0.00 H new ATOM 0 HE1 HIS A 45 15.886 -0.667 6.479 1.00 0.00 H new ATOM 0 HE2 HIS A 45 14.680 -2.874 6.877 1.00 0.00 H new ATOM 691 N LEU A 46 8.616 -0.346 3.545 1.00 0.00 N ATOM 692 CA LEU A 46 7.247 0.098 3.305 1.00 0.00 C ATOM 693 C LEU A 46 6.474 0.212 4.615 1.00 0.00 C ATOM 694 O LEU A 46 5.372 -0.321 4.746 1.00 0.00 O ATOM 695 CB LEU A 46 6.534 -0.872 2.361 1.00 0.00 C ATOM 696 CG LEU A 46 6.907 -0.766 0.882 1.00 0.00 C ATOM 697 CD1 LEU A 46 7.025 0.692 0.465 1.00 0.00 C ATOM 698 CD2 LEU A 46 8.206 -1.509 0.605 1.00 0.00 C ATOM 0 H LEU A 46 8.788 -1.325 3.317 1.00 0.00 H new ATOM 0 HA LEU A 46 7.286 1.084 2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.739 -1.889 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.459 -0.716 2.456 1.00 0.00 H new ATOM 0 HG LEU A 46 6.115 -1.228 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.291 0.748 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.071 1.195 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.797 1.179 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.456 -1.423 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.007 -1.076 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.086 -2.561 0.865 1.00 0.00 H new ATOM 710 N VAL A 47 7.059 0.912 5.582 1.00 0.00 N ATOM 711 CA VAL A 47 6.424 1.099 6.881 1.00 0.00 C ATOM 712 C VAL A 47 5.983 2.546 7.074 1.00 0.00 C ATOM 713 O VAL A 47 5.719 2.982 8.195 1.00 0.00 O ATOM 714 CB VAL A 47 7.370 0.704 8.030 1.00 0.00 C ATOM 715 CG1 VAL A 47 7.802 -0.747 7.891 1.00 0.00 C ATOM 716 CG2 VAL A 47 8.578 1.628 8.067 1.00 0.00 C ATOM 0 H VAL A 47 7.971 1.359 5.490 1.00 0.00 H new ATOM 0 HA VAL A 47 5.549 0.450 6.902 1.00 0.00 H new ATOM 0 HB VAL A 47 6.832 0.809 8.972 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.470 -1.008 8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.924 -1.392 7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.322 -0.883 6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.236 1.334 8.885 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.119 1.558 7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.246 2.655 8.219 1.00 0.00 H new ATOM 726 N THR A 48 5.905 3.287 5.973 1.00 0.00 N ATOM 727 CA THR A 48 5.497 4.685 6.020 1.00 0.00 C ATOM 728 C THR A 48 4.730 5.077 4.762 1.00 0.00 C ATOM 729 O THR A 48 5.088 4.676 3.654 1.00 0.00 O ATOM 730 CB THR A 48 6.711 5.619 6.180 1.00 0.00 C ATOM 731 OG1 THR A 48 7.820 5.115 5.428 1.00 0.00 O ATOM 732 CG2 THR A 48 7.103 5.751 7.644 1.00 0.00 C ATOM 0 H THR A 48 6.119 2.942 5.037 1.00 0.00 H new ATOM 0 HA THR A 48 4.846 4.795 6.887 1.00 0.00 H new ATOM 0 HB THR A 48 6.435 6.604 5.804 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.657 5.422 5.834 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.963 6.415 7.732 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.267 6.163 8.209 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.361 4.769 8.042 1.00 0.00 H new ATOM 740 N CYS A 49 3.675 5.864 4.939 1.00 0.00 N ATOM 741 CA CYS A 49 2.857 6.312 3.818 1.00 0.00 C ATOM 742 C CYS A 49 3.371 7.638 3.265 1.00 0.00 C ATOM 743 O CYS A 49 3.962 8.439 3.990 1.00 0.00 O ATOM 744 CB CYS A 49 1.397 6.459 4.251 1.00 0.00 C ATOM 745 SG CYS A 49 1.121 7.749 5.507 1.00 0.00 S ATOM 0 H CYS A 49 3.366 6.205 5.849 1.00 0.00 H new ATOM 0 HA CYS A 49 2.921 5.561 3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.790 6.685 3.374 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.048 5.504 4.643 1.00 0.00 H new ATOM 750 N LYS A 50 3.142 7.863 1.976 1.00 0.00 N ATOM 751 CA LYS A 50 3.580 9.092 1.324 1.00 0.00 C ATOM 752 C LYS A 50 3.356 10.298 2.230 1.00 0.00 C ATOM 753 O LYS A 50 4.134 11.252 2.211 1.00 0.00 O ATOM 754 CB LYS A 50 2.831 9.287 0.003 1.00 0.00 C ATOM 755 CG LYS A 50 1.336 9.041 0.109 1.00 0.00 C ATOM 756 CD LYS A 50 0.558 9.912 -0.862 1.00 0.00 C ATOM 757 CE LYS A 50 -0.808 10.284 -0.307 1.00 0.00 C ATOM 758 NZ LYS A 50 -1.708 10.827 -1.362 1.00 0.00 N ATOM 0 H LYS A 50 2.655 7.210 1.362 1.00 0.00 H new ATOM 0 HA LYS A 50 4.647 9.006 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.999 10.303 -0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.249 8.613 -0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.124 7.991 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.004 9.244 1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.125 10.819 -1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.436 9.384 -1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.268 9.405 0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.689 11.024 0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.629 11.068 -0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.282 11.681 -1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.843 10.112 -2.105 1.00 0.00 H new ATOM 772 N GLN A 51 2.291 10.247 3.023 1.00 0.00 N ATOM 773 CA GLN A 51 1.967 11.336 3.937 1.00 0.00 C ATOM 774 C GLN A 51 3.008 11.443 5.047 1.00 0.00 C ATOM 775 O GLN A 51 3.420 12.541 5.423 1.00 0.00 O ATOM 776 CB GLN A 51 0.578 11.126 4.542 1.00 0.00 C ATOM 777 CG GLN A 51 -0.537 11.792 3.752 1.00 0.00 C ATOM 778 CD GLN A 51 -1.867 11.759 4.478 1.00 0.00 C ATOM 779 OE1 GLN A 51 -2.077 10.943 5.376 1.00 0.00 O ATOM 780 NE2 GLN A 51 -2.774 12.649 4.093 1.00 0.00 N ATOM 0 H GLN A 51 1.638 9.464 3.051 1.00 0.00 H new ATOM 0 HA GLN A 51 1.971 12.267 3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.377 10.057 4.607 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.572 11.514 5.561 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.264 12.827 3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.641 11.294 2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.557 13.307 3.344 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.688 12.675 4.546 1.00 0.00 H new ATOM 789 N CYS A 52 3.429 10.296 5.569 1.00 0.00 N ATOM 790 CA CYS A 52 4.421 10.259 6.637 1.00 0.00 C ATOM 791 C CYS A 52 5.834 10.373 6.071 1.00 0.00 C ATOM 792 O CYS A 52 6.614 11.227 6.490 1.00 0.00 O ATOM 793 CB CYS A 52 4.285 8.966 7.443 1.00 0.00 C ATOM 794 SG CYS A 52 2.815 8.910 8.518 1.00 0.00 S ATOM 0 H CYS A 52 3.098 9.379 5.269 1.00 0.00 H new ATOM 0 HA CYS A 52 4.242 11.110 7.295 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.250 8.123 6.753 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.176 8.838 8.057 1.00 0.00 H new ATOM 799 N ALA A 53 6.154 9.506 5.116 1.00 0.00 N ATOM 800 CA ALA A 53 7.471 9.510 4.491 1.00 0.00 C ATOM 801 C ALA A 53 8.004 10.931 4.344 1.00 0.00 C ATOM 802 O ALA A 53 9.176 11.195 4.613 1.00 0.00 O ATOM 803 CB ALA A 53 7.414 8.822 3.135 1.00 0.00 C ATOM 0 H ALA A 53 5.519 8.792 4.758 1.00 0.00 H new ATOM 0 HA ALA A 53 8.154 8.959 5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.404 8.832 2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.085 7.791 3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.712 9.349 2.489 1.00 0.00 H new ATOM 809 N GLU A 54 7.137 11.842 3.914 1.00 0.00 N ATOM 810 CA GLU A 54 7.523 13.236 3.730 1.00 0.00 C ATOM 811 C GLU A 54 7.891 13.879 5.063 1.00 0.00 C ATOM 812 O GLU A 54 8.919 14.546 5.180 1.00 0.00 O ATOM 813 CB GLU A 54 6.386 14.020 3.069 1.00 0.00 C ATOM 814 CG GLU A 54 6.126 13.616 1.628 1.00 0.00 C ATOM 815 CD GLU A 54 7.048 14.317 0.650 1.00 0.00 C ATOM 816 OE1 GLU A 54 7.396 15.491 0.898 1.00 0.00 O ATOM 817 OE2 GLU A 54 7.422 13.692 -0.365 1.00 0.00 O ATOM 0 H GLU A 54 6.163 11.640 3.687 1.00 0.00 H new ATOM 0 HA GLU A 54 8.398 13.262 3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.473 13.878 3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.622 15.084 3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.250 12.538 1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.091 13.843 1.372 1.00 0.00 H new ATOM 824 N ALA A 55 7.044 13.675 6.066 1.00 0.00 N ATOM 825 CA ALA A 55 7.281 14.233 7.392 1.00 0.00 C ATOM 826 C ALA A 55 8.583 13.707 7.985 1.00 0.00 C ATOM 827 O ALA A 55 9.392 14.473 8.510 1.00 0.00 O ATOM 828 CB ALA A 55 6.113 13.916 8.314 1.00 0.00 C ATOM 0 H ALA A 55 6.187 13.127 5.986 1.00 0.00 H new ATOM 0 HA ALA A 55 7.369 15.315 7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.303 14.338 9.301 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.199 14.347 7.905 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.999 12.835 8.398 1.00 0.00 H new ATOM 834 N VAL A 56 8.781 12.396 7.897 1.00 0.00 N ATOM 835 CA VAL A 56 9.986 11.767 8.424 1.00 0.00 C ATOM 836 C VAL A 56 11.193 12.064 7.541 1.00 0.00 C ATOM 837 O VAL A 56 11.248 11.641 6.386 1.00 0.00 O ATOM 838 CB VAL A 56 9.817 10.241 8.546 1.00 0.00 C ATOM 839 CG1 VAL A 56 8.711 9.904 9.536 1.00 0.00 C ATOM 840 CG2 VAL A 56 9.530 9.627 7.185 1.00 0.00 C ATOM 0 H VAL A 56 8.122 11.748 7.465 1.00 0.00 H new ATOM 0 HA VAL A 56 10.153 12.187 9.416 1.00 0.00 H new ATOM 0 HB VAL A 56 10.749 9.818 8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.606 8.822 9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.963 10.311 10.515 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.771 10.337 9.193 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.413 8.548 7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.612 10.053 6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.358 9.838 6.509 1.00 0.00 H new ATOM 850 N ASP A 57 12.157 12.794 8.091 1.00 0.00 N ATOM 851 CA ASP A 57 13.364 13.147 7.353 1.00 0.00 C ATOM 852 C ASP A 57 14.192 11.905 7.039 1.00 0.00 C ATOM 853 O ASP A 57 14.801 11.804 5.974 1.00 0.00 O ATOM 854 CB ASP A 57 14.203 14.145 8.153 1.00 0.00 C ATOM 855 CG ASP A 57 13.626 15.546 8.117 1.00 0.00 C ATOM 856 OD1 ASP A 57 13.681 16.184 7.044 1.00 0.00 O ATOM 857 OD2 ASP A 57 13.118 16.005 9.161 1.00 0.00 O ATOM 0 H ASP A 57 12.126 13.153 9.045 1.00 0.00 H new ATOM 0 HA ASP A 57 13.063 13.608 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.272 13.810 9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.218 14.163 7.756 1.00 0.00 H new ATOM 862 N LYS A 58 14.210 10.960 7.974 1.00 0.00 N ATOM 863 CA LYS A 58 14.962 9.724 7.798 1.00 0.00 C ATOM 864 C LYS A 58 14.161 8.524 8.296 1.00 0.00 C ATOM 865 O LYS A 58 13.336 8.649 9.201 1.00 0.00 O ATOM 866 CB LYS A 58 16.296 9.804 8.543 1.00 0.00 C ATOM 867 CG LYS A 58 16.146 9.915 10.050 1.00 0.00 C ATOM 868 CD LYS A 58 17.478 10.196 10.725 1.00 0.00 C ATOM 869 CE LYS A 58 17.731 11.689 10.859 1.00 0.00 C ATOM 870 NZ LYS A 58 16.952 12.286 11.979 1.00 0.00 N ATOM 0 H LYS A 58 13.712 11.027 8.862 1.00 0.00 H new ATOM 0 HA LYS A 58 15.155 9.594 6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.886 8.918 8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.855 10.665 8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.441 10.712 10.288 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.726 8.989 10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.492 9.734 11.712 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.283 9.740 10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.794 11.864 11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.466 12.187 9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.832 13.306 11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.018 11.831 12.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.461 12.138 12.874 1.00 0.00 H new ATOM 884 N CYS A 59 14.411 7.363 7.699 1.00 0.00 N ATOM 885 CA CYS A 59 13.714 6.141 8.082 1.00 0.00 C ATOM 886 C CYS A 59 13.429 6.125 9.581 1.00 0.00 C ATOM 887 O CYS A 59 14.337 6.128 10.412 1.00 0.00 O ATOM 888 CB CYS A 59 14.544 4.915 7.696 1.00 0.00 C ATOM 889 SG CYS A 59 13.608 3.352 7.707 1.00 0.00 S ATOM 0 H CYS A 59 15.091 7.243 6.948 1.00 0.00 H new ATOM 0 HA CYS A 59 12.764 6.111 7.549 1.00 0.00 H new ATOM 0 HB2 CYS A 59 14.961 5.070 6.701 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.385 4.828 8.384 1.00 0.00 H new ATOM 894 N PRO A 60 12.135 6.106 9.937 1.00 0.00 N ATOM 895 CA PRO A 60 11.699 6.088 11.336 1.00 0.00 C ATOM 896 C PRO A 60 12.008 4.762 12.022 1.00 0.00 C ATOM 897 O PRO A 60 11.574 4.519 13.148 1.00 0.00 O ATOM 898 CB PRO A 60 10.187 6.300 11.239 1.00 0.00 C ATOM 899 CG PRO A 60 9.820 5.801 9.884 1.00 0.00 C ATOM 900 CD PRO A 60 10.999 6.101 9.000 1.00 0.00 C ATOM 0 HA PRO A 60 12.211 6.843 11.932 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.660 5.751 12.019 1.00 0.00 H new ATOM 0 HB3 PRO A 60 9.926 7.352 11.357 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.610 4.732 9.905 1.00 0.00 H new ATOM 0 HG3 PRO A 60 8.921 6.295 9.516 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.122 5.346 8.224 1.00 0.00 H new ATOM 0 HD3 PRO A 60 10.889 7.061 8.496 1.00 0.00 H new ATOM 908 N MET A 61 12.762 3.908 11.337 1.00 0.00 N ATOM 909 CA MET A 61 13.130 2.606 11.883 1.00 0.00 C ATOM 910 C MET A 61 14.636 2.384 11.790 1.00 0.00 C ATOM 911 O MET A 61 15.244 1.799 12.686 1.00 0.00 O ATOM 912 CB MET A 61 12.392 1.491 11.140 1.00 0.00 C ATOM 913 CG MET A 61 10.882 1.539 11.315 1.00 0.00 C ATOM 914 SD MET A 61 10.313 0.551 12.712 1.00 0.00 S ATOM 915 CE MET A 61 10.120 -1.052 11.936 1.00 0.00 C ATOM 0 H MET A 61 13.130 4.094 10.404 1.00 0.00 H new ATOM 0 HA MET A 61 12.842 2.586 12.934 1.00 0.00 H new ATOM 0 HB2 MET A 61 12.629 1.555 10.078 1.00 0.00 H new ATOM 0 HB3 MET A 61 12.760 0.527 11.491 1.00 0.00 H new ATOM 0 HG2 MET A 61 10.569 2.574 11.455 1.00 0.00 H new ATOM 0 HG3 MET A 61 10.403 1.182 10.403 1.00 0.00 H new ATOM 0 HE1 MET A 61 9.772 -1.774 12.674 1.00 0.00 H new ATOM 0 HE2 MET A 61 9.392 -0.980 11.128 1.00 0.00 H new ATOM 0 HE3 MET A 61 11.078 -1.379 11.533 1.00 0.00 H new ATOM 925 N CYS A 62 15.233 2.855 10.700 1.00 0.00 N ATOM 926 CA CYS A 62 16.668 2.708 10.490 1.00 0.00 C ATOM 927 C CYS A 62 17.384 4.045 10.664 1.00 0.00 C ATOM 928 O CYS A 62 18.613 4.108 10.661 1.00 0.00 O ATOM 929 CB CYS A 62 16.945 2.147 9.094 1.00 0.00 C ATOM 930 SG CYS A 62 15.865 0.757 8.623 1.00 0.00 S ATOM 0 H CYS A 62 14.745 3.342 9.948 1.00 0.00 H new ATOM 0 HA CYS A 62 17.050 2.012 11.237 1.00 0.00 H new ATOM 0 HB2 CYS A 62 16.829 2.947 8.363 1.00 0.00 H new ATOM 0 HB3 CYS A 62 17.983 1.819 9.045 1.00 0.00 H new ATOM 935 N TYR A 63 16.605 5.111 10.815 1.00 0.00 N ATOM 936 CA TYR A 63 17.163 6.446 10.988 1.00 0.00 C ATOM 937 C TYR A 63 18.113 6.792 9.844 1.00 0.00 C ATOM 938 O TYR A 63 19.067 7.550 10.021 1.00 0.00 O ATOM 939 CB TYR A 63 17.900 6.545 12.324 1.00 0.00 C ATOM 940 CG TYR A 63 16.992 6.844 13.496 1.00 0.00 C ATOM 941 CD1 TYR A 63 15.861 6.074 13.737 1.00 0.00 C ATOM 942 CD2 TYR A 63 17.266 7.895 14.362 1.00 0.00 C ATOM 943 CE1 TYR A 63 15.028 6.344 14.806 1.00 0.00 C ATOM 944 CE2 TYR A 63 16.439 8.172 15.434 1.00 0.00 C ATOM 945 CZ TYR A 63 15.321 7.394 15.651 1.00 0.00 C ATOM 946 OH TYR A 63 14.495 7.665 16.718 1.00 0.00 O ATOM 0 H TYR A 63 15.586 5.076 10.821 1.00 0.00 H new ATOM 0 HA TYR A 63 16.339 7.160 10.981 1.00 0.00 H new ATOM 0 HB2 TYR A 63 18.424 5.607 12.511 1.00 0.00 H new ATOM 0 HB3 TYR A 63 18.658 7.325 12.254 1.00 0.00 H new ATOM 0 HD1 TYR A 63 15.629 5.251 13.078 1.00 0.00 H new ATOM 0 HD2 TYR A 63 18.140 8.506 14.195 1.00 0.00 H new ATOM 0 HE1 TYR A 63 14.152 5.736 14.979 1.00 0.00 H new ATOM 0 HE2 TYR A 63 16.667 8.993 16.098 1.00 0.00 H new ATOM 0 HH TYR A 63 14.843 8.435 17.214 1.00 0.00 H new ATOM 956 N THR A 64 17.843 6.231 8.670 1.00 0.00 N ATOM 957 CA THR A 64 18.671 6.479 7.496 1.00 0.00 C ATOM 958 C THR A 64 18.078 7.581 6.627 1.00 0.00 C ATOM 959 O THR A 64 17.019 7.407 6.023 1.00 0.00 O ATOM 960 CB THR A 64 18.838 5.204 6.647 1.00 0.00 C ATOM 961 OG1 THR A 64 19.543 4.207 7.394 1.00 0.00 O ATOM 962 CG2 THR A 64 19.589 5.506 5.360 1.00 0.00 C ATOM 0 H THR A 64 17.057 5.602 8.507 1.00 0.00 H new ATOM 0 HA THR A 64 19.649 6.795 7.860 1.00 0.00 H new ATOM 0 HB THR A 64 17.846 4.832 6.391 1.00 0.00 H new ATOM 0 HG1 THR A 64 19.643 3.399 6.848 1.00 0.00 H new ATOM 0 HG21 THR A 64 19.695 4.591 4.777 1.00 0.00 H new ATOM 0 HG22 THR A 64 19.035 6.244 4.780 1.00 0.00 H new ATOM 0 HG23 THR A 64 20.577 5.900 5.599 1.00 0.00 H new ATOM 970 N VAL A 65 18.767 8.716 6.566 1.00 0.00 N ATOM 971 CA VAL A 65 18.309 9.847 5.768 1.00 0.00 C ATOM 972 C VAL A 65 17.638 9.376 4.482 1.00 0.00 C ATOM 973 O VAL A 65 18.105 8.440 3.833 1.00 0.00 O ATOM 974 CB VAL A 65 19.473 10.790 5.411 1.00 0.00 C ATOM 975 CG1 VAL A 65 18.984 11.933 4.533 1.00 0.00 C ATOM 976 CG2 VAL A 65 20.134 11.322 6.673 1.00 0.00 C ATOM 0 H VAL A 65 19.645 8.877 7.060 1.00 0.00 H new ATOM 0 HA VAL A 65 17.585 10.390 6.375 1.00 0.00 H new ATOM 0 HB VAL A 65 20.217 10.224 4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.820 12.589 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 65 18.561 11.530 3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.220 12.500 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.954 11.987 6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.401 11.872 7.263 1.00 0.00 H new ATOM 0 HG23 VAL A 65 20.521 10.489 7.260 1.00 0.00 H new ATOM 986 N ILE A 66 16.540 10.032 4.121 1.00 0.00 N ATOM 987 CA ILE A 66 15.805 9.681 2.912 1.00 0.00 C ATOM 988 C ILE A 66 16.134 10.639 1.771 1.00 0.00 C ATOM 989 O ILE A 66 15.467 11.657 1.588 1.00 0.00 O ATOM 990 CB ILE A 66 14.284 9.693 3.154 1.00 0.00 C ATOM 991 CG1 ILE A 66 13.922 8.754 4.307 1.00 0.00 C ATOM 992 CG2 ILE A 66 13.543 9.294 1.886 1.00 0.00 C ATOM 993 CD1 ILE A 66 12.695 9.189 5.078 1.00 0.00 C ATOM 0 H ILE A 66 16.140 10.809 4.648 1.00 0.00 H new ATOM 0 HA ILE A 66 16.113 8.672 2.637 1.00 0.00 H new ATOM 0 HB ILE A 66 13.982 10.704 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 66 13.756 7.752 3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.768 8.690 4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.469 9.307 2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.781 9.998 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.847 8.291 1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.498 8.477 5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.865 10.178 5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.837 9.226 4.406 1.00 0.00 H new ATOM 1005 N THR A 67 17.168 10.304 1.005 1.00 0.00 N ATOM 1006 CA THR A 67 17.586 11.133 -0.119 1.00 0.00 C ATOM 1007 C THR A 67 16.926 10.677 -1.415 1.00 0.00 C ATOM 1008 O THR A 67 17.395 10.994 -2.508 1.00 0.00 O ATOM 1009 CB THR A 67 19.115 11.107 -0.298 1.00 0.00 C ATOM 1010 OG1 THR A 67 19.504 12.024 -1.327 1.00 0.00 O ATOM 1011 CG2 THR A 67 19.594 9.707 -0.652 1.00 0.00 C ATOM 0 H THR A 67 17.731 9.465 1.143 1.00 0.00 H new ATOM 0 HA THR A 67 17.271 12.152 0.106 1.00 0.00 H new ATOM 0 HB THR A 67 19.574 11.404 0.645 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.872 11.965 -2.074 1.00 0.00 H new ATOM 0 HG21 THR A 67 20.677 9.713 -0.774 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.322 9.017 0.147 1.00 0.00 H new ATOM 0 HG23 THR A 67 19.126 9.387 -1.583 1.00 0.00 H new ATOM 1019 N PHE A 68 15.833 9.931 -1.286 1.00 0.00 N ATOM 1020 CA PHE A 68 15.108 9.430 -2.448 1.00 0.00 C ATOM 1021 C PHE A 68 13.807 8.753 -2.027 1.00 0.00 C ATOM 1022 O PHE A 68 13.809 7.830 -1.212 1.00 0.00 O ATOM 1023 CB PHE A 68 15.978 8.446 -3.233 1.00 0.00 C ATOM 1024 CG PHE A 68 15.556 8.283 -4.665 1.00 0.00 C ATOM 1025 CD1 PHE A 68 14.525 7.422 -5.004 1.00 0.00 C ATOM 1026 CD2 PHE A 68 16.191 8.991 -5.673 1.00 0.00 C ATOM 1027 CE1 PHE A 68 14.134 7.271 -6.321 1.00 0.00 C ATOM 1028 CE2 PHE A 68 15.804 8.844 -6.991 1.00 0.00 C ATOM 1029 CZ PHE A 68 14.775 7.982 -7.316 1.00 0.00 C ATOM 0 H PHE A 68 15.430 9.660 -0.389 1.00 0.00 H new ATOM 0 HA PHE A 68 14.865 10.279 -3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 68 17.013 8.786 -3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 68 15.948 7.474 -2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 68 14.021 6.862 -4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 68 16.997 9.665 -5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.328 6.597 -6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 68 16.306 9.403 -7.767 1.00 0.00 H new ATOM 0 HZ PHE A 68 14.472 7.864 -8.346 1.00 0.00 H new ATOM 1039 N LYS A 69 12.697 9.219 -2.588 1.00 0.00 N ATOM 1040 CA LYS A 69 11.387 8.660 -2.273 1.00 0.00 C ATOM 1041 C LYS A 69 10.818 7.900 -3.467 1.00 0.00 C ATOM 1042 O LYS A 69 10.275 8.501 -4.393 1.00 0.00 O ATOM 1043 CB LYS A 69 10.422 9.772 -1.855 1.00 0.00 C ATOM 1044 CG LYS A 69 10.446 10.070 -0.366 1.00 0.00 C ATOM 1045 CD LYS A 69 10.107 11.524 -0.084 1.00 0.00 C ATOM 1046 CE LYS A 69 10.805 12.026 1.171 1.00 0.00 C ATOM 1047 NZ LYS A 69 10.917 13.511 1.187 1.00 0.00 N ATOM 0 H LYS A 69 12.678 9.983 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 69 11.507 7.962 -1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.669 10.681 -2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.409 9.491 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.734 9.423 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.433 9.841 0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.400 12.139 -0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.028 11.632 0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.254 11.694 2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.800 11.586 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.398 13.813 2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.465 13.827 0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.966 13.931 1.153 1.00 0.00 H new ATOM 1061 N GLN A 70 10.947 6.578 -3.437 1.00 0.00 N ATOM 1062 CA GLN A 70 10.444 5.737 -4.517 1.00 0.00 C ATOM 1063 C GLN A 70 9.026 5.259 -4.221 1.00 0.00 C ATOM 1064 O GLN A 70 8.523 5.427 -3.110 1.00 0.00 O ATOM 1065 CB GLN A 70 11.366 4.535 -4.728 1.00 0.00 C ATOM 1066 CG GLN A 70 11.410 4.047 -6.167 1.00 0.00 C ATOM 1067 CD GLN A 70 10.381 2.970 -6.449 1.00 0.00 C ATOM 1068 OE1 GLN A 70 9.605 3.071 -7.400 1.00 0.00 O ATOM 1069 NE2 GLN A 70 10.370 1.931 -5.623 1.00 0.00 N ATOM 0 H GLN A 70 11.395 6.066 -2.677 1.00 0.00 H new ATOM 0 HA GLN A 70 10.423 6.335 -5.428 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.375 4.802 -4.413 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.037 3.718 -4.086 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.242 4.890 -6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.405 3.660 -6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.032 1.889 -4.848 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.700 1.175 -5.764 1.00 0.00 H new ATOM 1078 N LYS A 71 8.387 4.664 -5.222 1.00 0.00 N ATOM 1079 CA LYS A 71 7.027 4.160 -5.069 1.00 0.00 C ATOM 1080 C LYS A 71 6.923 2.719 -5.557 1.00 0.00 C ATOM 1081 O LYS A 71 7.360 2.394 -6.661 1.00 0.00 O ATOM 1082 CB LYS A 71 6.044 5.043 -5.842 1.00 0.00 C ATOM 1083 CG LYS A 71 6.172 6.522 -5.518 1.00 0.00 C ATOM 1084 CD LYS A 71 5.836 7.387 -6.722 1.00 0.00 C ATOM 1085 CE LYS A 71 4.338 7.420 -6.984 1.00 0.00 C ATOM 1086 NZ LYS A 71 3.965 8.506 -7.932 1.00 0.00 N ATOM 0 H LYS A 71 8.789 4.519 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 71 6.774 4.186 -4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.202 4.899 -6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.027 4.718 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.508 6.773 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.188 6.736 -5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.200 8.401 -6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.352 7.004 -7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.019 6.459 -7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.808 7.562 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.936 8.495 -8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.247 9.425 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.451 8.357 -8.839 1.00 0.00 H new ATOM 1100 N ILE A 72 6.340 1.859 -4.728 1.00 0.00 N ATOM 1101 CA ILE A 72 6.176 0.454 -5.077 1.00 0.00 C ATOM 1102 C ILE A 72 4.951 0.245 -5.960 1.00 0.00 C ATOM 1103 O ILE A 72 4.099 1.127 -6.077 1.00 0.00 O ATOM 1104 CB ILE A 72 6.045 -0.427 -3.820 1.00 0.00 C ATOM 1105 CG1 ILE A 72 4.701 -0.177 -3.134 1.00 0.00 C ATOM 1106 CG2 ILE A 72 7.194 -0.155 -2.861 1.00 0.00 C ATOM 1107 CD1 ILE A 72 4.629 1.149 -2.409 1.00 0.00 C ATOM 0 H ILE A 72 5.974 2.111 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 72 7.070 0.160 -5.626 1.00 0.00 H new ATOM 0 HB ILE A 72 6.089 -1.474 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.908 -0.217 -3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.510 -0.981 -2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.088 -0.785 -1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.140 -0.378 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.179 0.893 -2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.648 1.258 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.399 1.185 -1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.788 1.961 -3.119 1.00 0.00 H new ATOM 1119 N PHE A 73 4.866 -0.928 -6.579 1.00 0.00 N ATOM 1120 CA PHE A 73 3.744 -1.253 -7.451 1.00 0.00 C ATOM 1121 C PHE A 73 3.226 -2.660 -7.169 1.00 0.00 C ATOM 1122 O PHE A 73 3.000 -3.446 -8.088 1.00 0.00 O ATOM 1123 CB PHE A 73 4.161 -1.136 -8.919 1.00 0.00 C ATOM 1124 CG PHE A 73 4.555 0.257 -9.321 1.00 0.00 C ATOM 1125 CD1 PHE A 73 5.777 0.783 -8.936 1.00 0.00 C ATOM 1126 CD2 PHE A 73 3.702 1.039 -10.083 1.00 0.00 C ATOM 1127 CE1 PHE A 73 6.143 2.064 -9.305 1.00 0.00 C ATOM 1128 CE2 PHE A 73 4.063 2.320 -10.455 1.00 0.00 C ATOM 1129 CZ PHE A 73 5.284 2.834 -10.064 1.00 0.00 C ATOM 0 H PHE A 73 5.561 -1.669 -6.493 1.00 0.00 H new ATOM 0 HA PHE A 73 2.942 -0.542 -7.250 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.997 -1.810 -9.106 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.337 -1.468 -9.550 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.452 0.186 -8.341 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.745 0.643 -10.389 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.100 2.462 -9.000 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.391 2.919 -11.051 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.566 3.836 -10.351 1.00 0.00 H new ATOM 1139 N MET A 74 3.040 -2.970 -5.890 1.00 0.00 N ATOM 1140 CA MET A 74 2.547 -4.282 -5.485 1.00 0.00 C ATOM 1141 C MET A 74 1.532 -4.815 -6.491 1.00 0.00 C ATOM 1142 O MET A 74 1.717 -5.888 -7.065 1.00 0.00 O ATOM 1143 CB MET A 74 1.914 -4.206 -4.094 1.00 0.00 C ATOM 1144 CG MET A 74 2.836 -3.617 -3.039 1.00 0.00 C ATOM 1145 SD MET A 74 4.339 -4.587 -2.810 1.00 0.00 S ATOM 1146 CE MET A 74 5.058 -3.767 -1.389 1.00 0.00 C ATOM 0 H MET A 74 3.223 -2.331 -5.116 1.00 0.00 H new ATOM 0 HA MET A 74 3.394 -4.967 -5.453 1.00 0.00 H new ATOM 0 HB2 MET A 74 1.007 -3.604 -4.149 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.614 -5.207 -3.785 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.105 -2.600 -3.324 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.302 -3.552 -2.091 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.722 -4.457 -0.868 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.626 -2.897 -1.720 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.265 -3.447 -0.713 1.00 0.00 H new ATOM 1156 N SER A 75 0.458 -4.059 -6.698 1.00 0.00 N ATOM 1157 CA SER A 75 -0.589 -4.458 -7.631 1.00 0.00 C ATOM 1158 C SER A 75 -0.023 -4.641 -9.037 1.00 0.00 C ATOM 1159 O SER A 75 -0.033 -3.691 -9.819 1.00 0.00 O ATOM 1160 CB SER A 75 -1.708 -3.415 -7.652 1.00 0.00 C ATOM 1161 OG SER A 75 -2.742 -3.793 -8.544 1.00 0.00 O ATOM 0 H SER A 75 0.290 -3.167 -6.232 1.00 0.00 H new ATOM 0 HA SER A 75 -0.997 -5.411 -7.295 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.116 -3.294 -6.648 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.302 -2.448 -7.950 1.00 0.00 H new ATOM 0 HG SER A 75 -3.445 -3.111 -8.538 1.00 0.00 H new TER 1167 SER A 75 HETATM 1168 ZN ZN A 201 1.465 7.350 7.647 1.00 0.00 ZN HETATM 1169 ZN ZN A 401 14.827 1.692 6.677 1.00 0.00 ZN