USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 407 hydrogens (57 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 4 CLGHNM2 : A 4 CLG NM : B 16 CLH CL :(H bumps) USER MOD NoAdj-H: A 4 CLG H2 : A 4 CLG N : A 3 ALA C :(H bumps) USER MOD NoAdj-H: A 4 CLG H : A 4 CLG N : A 3 ALA C :(H bumps) USER MOD NoAdj-H: A 17 ABA HN2 : A 17 ABA N : A 16 LEU C :(H bumps) USER MOD NoAdj-H: B 16 CLH H2 : B 16 CLH N : B 15 GLY C :(H bumps) USER MOD NoAdj-H: B 16 CLH H : B 16 CLH N : B 15 GLY C :(H bumps) USER MOD NoAdj-H: B 17 ABA H : B 17 ABA N : B 16 CLH C :(H bumps) USER MOD Set 1.1: A 11 ASN : amide:sc= -4.72! C(o=-9.5!,f=-18!) USER MOD Set 1.2: A 18 GLN : amide:sc= -4.74! C(o=-9.5!,f=-21!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 62:sc= 0.866 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 ASN : amide:sc= -2.16 K(o=-2.2,f=-6.6!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : B 19 THR OG1 : rot -112:sc= -0.83! USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 CA MPT A 1 -10.160 -10.455 -19.131 1.00 0.00 C HETATM 2 C MPT A 1 -9.540 -9.448 -18.156 1.00 0.00 C HETATM 3 O MPT A 1 -9.858 -9.431 -16.983 1.00 0.00 O HETATM 4 CB MPT A 1 -9.697 -11.868 -18.789 1.00 0.00 C HETATM 5 SG MPT A 1 -9.950 -12.175 -17.022 1.00 0.00 S HETATM 0 HB2 MPT A 1 -10.253 -12.597 -19.379 1.00 0.00 H new HETATM 0 HB1 MPT A 1 -8.644 -11.989 -19.043 1.00 0.00 H new HETATM 0 HA2 MPT A 1 -11.247 -10.398 -19.082 1.00 0.00 H new HETATM 0 HA1 MPT A 1 -9.874 -10.207 -20.153 1.00 0.00 H new ATOM 10 N LYS A 2 -8.652 -8.616 -18.629 1.00 0.00 N ATOM 11 CA LYS A 2 -8.011 -7.619 -17.726 1.00 0.00 C ATOM 12 C LYS A 2 -7.211 -8.345 -16.644 1.00 0.00 C ATOM 13 O LYS A 2 -7.737 -8.725 -15.616 1.00 0.00 O ATOM 14 CB LYS A 2 -9.169 -6.832 -17.107 1.00 0.00 C ATOM 15 CG LYS A 2 -9.245 -5.448 -17.753 1.00 0.00 C ATOM 16 CD LYS A 2 -9.935 -4.473 -16.796 1.00 0.00 C ATOM 17 CE LYS A 2 -9.116 -3.184 -16.701 1.00 0.00 C ATOM 18 NZ LYS A 2 -9.490 -2.401 -17.912 1.00 0.00 N ATOM 0 H LYS A 2 -8.343 -8.584 -19.601 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.319 -6.962 -18.254 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.107 -7.367 -17.255 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.024 -6.736 -16.031 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.243 -5.091 -17.992 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.796 -5.503 -18.692 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.942 -4.251 -17.150 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.036 -4.926 -15.810 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.348 -2.635 -15.788 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.047 -3.396 -16.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.968 -1.501 -17.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -9.251 -2.946 -18.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.512 -2.209 -17.899 1.00 0.00 H new ATOM 32 N ALA A 3 -5.942 -8.543 -16.870 1.00 0.00 N ATOM 33 CA ALA A 3 -5.099 -9.248 -15.861 1.00 0.00 C ATOM 34 C ALA A 3 -4.775 -8.316 -14.691 1.00 0.00 C ATOM 35 O ALA A 3 -3.635 -8.164 -14.300 1.00 0.00 O ATOM 36 CB ALA A 3 -3.822 -9.630 -16.611 1.00 0.00 C ATOM 0 H ALA A 3 -5.450 -8.246 -17.713 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.603 -10.118 -15.440 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.146 -10.155 -15.935 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.073 -10.279 -17.450 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.335 -8.729 -16.983 1.00 0.00 H new HETATM 42 N CLG A 4 -5.772 -7.691 -14.129 1.00 0.00 N HETATM 43 CA CLG A 4 -5.528 -6.768 -12.984 1.00 0.00 C HETATM 44 CB CLG A 4 -4.721 -5.611 -13.572 1.00 0.00 C HETATM 45 CG CLG A 4 -4.153 -4.754 -12.440 1.00 0.00 C HETATM 46 CD CLG A 4 -3.616 -3.440 -13.014 1.00 0.00 C HETATM 47 CE CLG A 4 -4.621 -2.317 -12.748 1.00 0.00 C HETATM 48 NZ CLG A 4 -4.364 -1.312 -13.817 1.00 0.00 N HETATM 49 CH CLG A 4 -4.850 -0.106 -13.710 1.00 0.00 C HETATM 50 OI CLG A 4 -5.514 0.224 -12.747 1.00 0.00 O HETATM 51 CI CLG A 4 -4.551 0.880 -14.842 1.00 0.00 C HETATM 52 NJ CLG A 4 -3.587 1.912 -14.362 1.00 0.00 N HETATM 53 CK CLG A 4 -3.341 2.964 -15.095 1.00 0.00 C HETATM 54 OL CLG A 4 -3.885 3.126 -16.169 1.00 0.00 O HETATM 55 C CLG A 4 -6.862 -6.266 -12.422 1.00 0.00 C HETATM 56 O CLG A 4 -7.520 -5.434 -13.014 1.00 0.00 O HETATM 57 CL CLG A 4 -2.343 3.987 -14.547 1.00 0.00 C HETATM 58 OM CLG A 4 -2.206 5.054 -15.474 1.00 0.00 O HETATM 59 NM CLG A 4 -1.283 6.017 -14.986 1.00 0.00 N HETATM 0 HNM1 CLG A 4 -0.830 5.877 -14.083 1.00 0.00 H new HETATM 0 HZ CLG A 4 -3.808 -1.567 -14.633 1.00 0.00 H new HETATM 0 HNJ CLG A 4 -3.121 1.796 -13.462 1.00 0.00 H new HETATM 0 HL2 CLG A 4 -2.687 4.368 -13.585 1.00 0.00 H new HETATM 0 HL1 CLG A 4 -1.377 3.513 -14.375 1.00 0.00 H new HETATM 0 HI2 CLG A 4 -4.136 0.350 -15.700 1.00 0.00 H new HETATM 0 HI1 CLG A 4 -5.473 1.356 -15.177 1.00 0.00 H new HETATM 0 HG3 CLG A 4 -4.927 -4.550 -11.700 1.00 0.00 H new HETATM 0 HG2 CLG A 4 -3.356 -5.292 -11.927 1.00 0.00 H new HETATM 0 HE3 CLG A 4 -5.646 -2.686 -12.790 1.00 0.00 H new HETATM 0 HE2 CLG A 4 -4.478 -1.885 -11.757 1.00 0.00 H new HETATM 0 HD3 CLG A 4 -2.656 -3.198 -12.559 1.00 0.00 H new HETATM 0 HD2 CLG A 4 -3.444 -3.542 -14.086 1.00 0.00 H new HETATM 0 HB3 CLG A 4 -3.911 -5.997 -14.191 1.00 0.00 H new HETATM 0 HB2 CLG A 4 -5.355 -5.004 -14.218 1.00 0.00 H new HETATM 0 HA CLG A 4 -5.000 -7.254 -12.164 1.00 0.00 H new ATOM 76 N ILE A 5 -7.267 -6.769 -11.287 1.00 0.00 N ATOM 77 CA ILE A 5 -8.560 -6.322 -10.692 1.00 0.00 C ATOM 78 C ILE A 5 -8.570 -4.794 -10.542 1.00 0.00 C ATOM 79 O ILE A 5 -7.756 -4.102 -11.119 1.00 0.00 O ATOM 80 CB ILE A 5 -8.627 -7.019 -9.326 1.00 0.00 C ATOM 81 CG1 ILE A 5 -10.087 -7.119 -8.876 1.00 0.00 C ATOM 82 CG2 ILE A 5 -7.828 -6.225 -8.288 1.00 0.00 C ATOM 83 CD1 ILE A 5 -10.503 -8.590 -8.819 1.00 0.00 C ATOM 0 H ILE A 5 -6.759 -7.469 -10.746 1.00 0.00 H new ATOM 0 HA ILE A 5 -9.420 -6.576 -11.312 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.199 -8.018 -9.416 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -10.209 -6.657 -7.896 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.730 -6.575 -9.568 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.883 -6.729 -7.323 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.787 -6.158 -8.604 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.245 -5.222 -8.197 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.542 -8.662 -8.499 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.396 -9.037 -9.807 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -9.867 -9.121 -8.110 1.00 0.00 H new ATOM 95 N ILE A 6 -9.482 -4.262 -9.776 1.00 0.00 N ATOM 96 CA ILE A 6 -9.531 -2.781 -9.602 1.00 0.00 C ATOM 97 C ILE A 6 -9.897 -2.421 -8.160 1.00 0.00 C ATOM 98 O ILE A 6 -10.834 -2.949 -7.594 1.00 0.00 O ATOM 99 CB ILE A 6 -10.617 -2.303 -10.565 1.00 0.00 C ATOM 100 CG1 ILE A 6 -10.365 -2.897 -11.953 1.00 0.00 C ATOM 101 CG2 ILE A 6 -10.583 -0.776 -10.652 1.00 0.00 C ATOM 102 CD1 ILE A 6 -11.400 -2.349 -12.938 1.00 0.00 C ATOM 0 H ILE A 6 -10.193 -4.785 -9.265 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.568 -2.314 -9.807 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.593 -2.626 -10.202 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.359 -2.647 -12.290 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.427 -3.984 -11.912 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.357 -0.433 -11.339 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.760 -0.351 -9.664 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.607 -0.454 -11.016 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.221 -2.772 -13.927 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.401 -2.621 -12.603 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.316 -1.263 -12.987 1.00 0.00 H new ATOM 114 N ARG A 7 -9.165 -1.521 -7.564 1.00 0.00 N ATOM 115 CA ARG A 7 -9.465 -1.114 -6.162 1.00 0.00 C ATOM 116 C ARG A 7 -8.943 0.304 -5.911 1.00 0.00 C ATOM 117 O ARG A 7 -7.822 0.500 -5.485 1.00 0.00 O ATOM 118 CB ARG A 7 -8.728 -2.128 -5.285 1.00 0.00 C ATOM 119 CG ARG A 7 -8.894 -1.746 -3.814 1.00 0.00 C ATOM 120 CD ARG A 7 -10.372 -1.837 -3.426 1.00 0.00 C ATOM 121 NE ARG A 7 -10.953 -0.524 -3.820 1.00 0.00 N ATOM 122 CZ ARG A 7 -12.233 -0.420 -4.047 1.00 0.00 C ATOM 123 NH1 ARG A 7 -12.792 -1.143 -4.979 1.00 0.00 N ATOM 124 NH2 ARG A 7 -12.956 0.407 -3.342 1.00 0.00 N ATOM 0 H ARG A 7 -8.368 -1.048 -7.990 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.534 -1.103 -5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.122 -3.129 -5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.671 -2.152 -5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.301 -2.410 -3.186 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.525 -0.734 -3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.866 -2.659 -3.944 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.490 -2.016 -2.357 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.350 0.294 -3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -12.228 -1.790 -5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -13.793 -1.061 -5.156 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -12.520 0.972 -2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -13.957 0.488 -3.520 1.00 0.00 H new ATOM 138 N TYR A 8 -9.748 1.293 -6.186 1.00 0.00 N ATOM 139 CA TYR A 8 -9.299 2.704 -5.977 1.00 0.00 C ATOM 140 C TYR A 8 -10.352 3.516 -5.215 1.00 0.00 C ATOM 141 O TYR A 8 -11.381 3.004 -4.822 1.00 0.00 O ATOM 142 CB TYR A 8 -9.075 3.264 -7.390 1.00 0.00 C ATOM 143 CG TYR A 8 -10.380 3.662 -8.066 1.00 0.00 C ATOM 144 CD1 TYR A 8 -11.617 3.146 -7.641 1.00 0.00 C ATOM 145 CD2 TYR A 8 -10.339 4.557 -9.144 1.00 0.00 C ATOM 146 CE1 TYR A 8 -12.796 3.527 -8.291 1.00 0.00 C ATOM 147 CE2 TYR A 8 -11.521 4.937 -9.791 1.00 0.00 C ATOM 148 CZ TYR A 8 -12.749 4.423 -9.365 1.00 0.00 C ATOM 149 OH TYR A 8 -13.913 4.796 -10.005 1.00 0.00 O ATOM 0 H TYR A 8 -10.697 1.188 -6.546 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.394 2.757 -5.372 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.417 4.132 -7.335 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.566 2.516 -7.999 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.657 2.455 -6.812 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.392 4.955 -9.477 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.745 3.129 -7.963 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.484 5.628 -10.620 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.702 5.424 -10.727 1.00 0.00 H new ATOM 159 N PHE A 9 -10.106 4.782 -5.008 1.00 0.00 N ATOM 160 CA PHE A 9 -11.103 5.621 -4.279 1.00 0.00 C ATOM 161 C PHE A 9 -11.330 6.929 -5.027 1.00 0.00 C ATOM 162 O PHE A 9 -11.814 7.901 -4.482 1.00 0.00 O ATOM 163 CB PHE A 9 -10.494 5.876 -2.901 1.00 0.00 C ATOM 164 CG PHE A 9 -9.966 4.580 -2.335 1.00 0.00 C ATOM 165 CD1 PHE A 9 -10.837 3.508 -2.107 1.00 0.00 C ATOM 166 CD2 PHE A 9 -8.604 4.449 -2.038 1.00 0.00 C ATOM 167 CE1 PHE A 9 -10.347 2.306 -1.582 1.00 0.00 C ATOM 168 CE2 PHE A 9 -8.114 3.247 -1.513 1.00 0.00 C ATOM 169 CZ PHE A 9 -8.986 2.176 -1.285 1.00 0.00 C ATOM 0 H PHE A 9 -9.263 5.270 -5.310 1.00 0.00 H new ATOM 0 HA PHE A 9 -12.073 5.131 -4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.689 6.606 -2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.245 6.298 -2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -11.888 3.608 -2.336 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.931 5.275 -2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.020 1.479 -1.406 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.063 3.146 -1.284 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.608 1.249 -0.880 1.00 0.00 H new ATOM 179 N TYR A 10 -10.999 6.933 -6.280 1.00 0.00 N ATOM 180 CA TYR A 10 -11.187 8.150 -7.126 1.00 0.00 C ATOM 181 C TYR A 10 -10.637 9.404 -6.437 1.00 0.00 C ATOM 182 O TYR A 10 -10.275 9.392 -5.279 1.00 0.00 O ATOM 183 CB TYR A 10 -12.698 8.269 -7.321 1.00 0.00 C ATOM 184 CG TYR A 10 -12.982 9.066 -8.572 1.00 0.00 C ATOM 185 CD1 TYR A 10 -12.530 8.604 -9.813 1.00 0.00 C ATOM 186 CD2 TYR A 10 -13.699 10.266 -8.490 1.00 0.00 C ATOM 187 CE1 TYR A 10 -12.793 9.341 -10.973 1.00 0.00 C ATOM 188 CE2 TYR A 10 -13.962 11.004 -9.650 1.00 0.00 C ATOM 189 CZ TYR A 10 -13.509 10.541 -10.892 1.00 0.00 C ATOM 190 OH TYR A 10 -13.768 11.269 -12.036 1.00 0.00 O ATOM 0 H TYR A 10 -10.598 6.133 -6.769 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.651 8.063 -8.071 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.145 7.278 -7.399 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.150 8.755 -6.457 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -11.978 7.678 -9.876 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.049 10.622 -7.532 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.444 8.984 -11.931 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -14.514 11.930 -9.587 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.276 12.074 -11.803 1.00 0.00 H new ATOM 200 N ASN A 11 -10.577 10.490 -7.165 1.00 0.00 N ATOM 201 CA ASN A 11 -10.058 11.773 -6.602 1.00 0.00 C ATOM 202 C ASN A 11 -9.695 12.715 -7.750 1.00 0.00 C ATOM 203 O ASN A 11 -8.542 13.009 -7.972 1.00 0.00 O ATOM 204 CB ASN A 11 -8.805 11.408 -5.802 1.00 0.00 C ATOM 205 CG ASN A 11 -9.066 11.635 -4.311 1.00 0.00 C ATOM 206 OD1 ASN A 11 -9.340 10.702 -3.582 1.00 0.00 O ATOM 207 ND2 ASN A 11 -8.994 12.843 -3.825 1.00 0.00 N ATOM 0 H ASN A 11 -10.870 10.542 -8.141 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.795 12.273 -5.973 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.537 10.367 -5.981 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.961 12.015 -6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.168 13.005 -2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.764 13.626 -4.437 1.00 0.00 H new ATOM 214 N ALA A 12 -10.670 13.173 -8.489 1.00 0.00 N ATOM 215 CA ALA A 12 -10.384 14.085 -9.639 1.00 0.00 C ATOM 216 C ALA A 12 -9.359 15.161 -9.246 1.00 0.00 C ATOM 217 O ALA A 12 -8.174 14.903 -9.175 1.00 0.00 O ATOM 218 CB ALA A 12 -11.734 14.711 -9.984 1.00 0.00 C ATOM 0 H ALA A 12 -11.656 12.955 -8.347 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.951 13.554 -10.487 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.613 15.397 -10.822 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.440 13.926 -10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.113 15.257 -9.120 1.00 0.00 H new ATOM 224 N LYS A 13 -9.792 16.370 -9.008 1.00 0.00 N ATOM 225 CA LYS A 13 -8.824 17.438 -8.639 1.00 0.00 C ATOM 226 C LYS A 13 -7.625 17.376 -9.581 1.00 0.00 C ATOM 227 O LYS A 13 -6.627 16.749 -9.290 1.00 0.00 O ATOM 228 CB LYS A 13 -8.401 17.120 -7.204 1.00 0.00 C ATOM 229 CG LYS A 13 -8.184 18.425 -6.434 1.00 0.00 C ATOM 230 CD LYS A 13 -9.447 19.284 -6.518 1.00 0.00 C ATOM 231 CE LYS A 13 -9.154 20.547 -7.331 1.00 0.00 C ATOM 232 NZ LYS A 13 -9.187 21.659 -6.340 1.00 0.00 N ATOM 0 H LYS A 13 -10.768 16.661 -9.053 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.250 18.438 -8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.166 16.519 -6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.484 16.530 -7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.947 18.210 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.334 18.967 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.254 18.718 -6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.783 19.553 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.183 20.484 -7.822 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.898 20.694 -8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.995 22.560 -6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.126 21.699 -5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.464 21.496 -5.611 1.00 0.00 H new ATOM 246 N ASP A 14 -7.734 18.002 -10.720 1.00 0.00 N ATOM 247 CA ASP A 14 -6.620 17.973 -11.715 1.00 0.00 C ATOM 248 C ASP A 14 -6.572 16.601 -12.393 1.00 0.00 C ATOM 249 O ASP A 14 -5.747 16.350 -13.249 1.00 0.00 O ATOM 250 CB ASP A 14 -5.331 18.233 -10.924 1.00 0.00 C ATOM 251 CG ASP A 14 -5.587 19.292 -9.849 1.00 0.00 C ATOM 252 OD1 ASP A 14 -5.988 20.388 -10.207 1.00 0.00 O ATOM 253 OD2 ASP A 14 -5.379 18.990 -8.686 1.00 0.00 O ATOM 0 H ASP A 14 -8.553 18.537 -11.008 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.753 18.721 -12.496 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.984 17.309 -10.462 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.542 18.568 -11.597 1.00 0.00 H new ATOM 258 N GLY A 15 -7.461 15.712 -12.027 1.00 0.00 N ATOM 259 CA GLY A 15 -7.469 14.364 -12.666 1.00 0.00 C ATOM 260 C GLY A 15 -6.677 13.363 -11.818 1.00 0.00 C ATOM 261 O GLY A 15 -5.850 12.630 -12.321 1.00 0.00 O ATOM 0 H GLY A 15 -8.178 15.862 -11.317 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.496 14.017 -12.784 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.036 14.426 -13.665 1.00 0.00 H new ATOM 265 N LEU A 16 -6.932 13.313 -10.538 1.00 0.00 N ATOM 266 CA LEU A 16 -6.202 12.342 -9.671 1.00 0.00 C ATOM 267 C LEU A 16 -7.148 11.210 -9.258 1.00 0.00 C ATOM 268 O LEU A 16 -8.336 11.269 -9.500 1.00 0.00 O ATOM 269 CB LEU A 16 -5.749 13.148 -8.451 1.00 0.00 C ATOM 270 CG LEU A 16 -4.419 12.596 -7.931 1.00 0.00 C ATOM 271 CD1 LEU A 16 -3.310 13.617 -8.186 1.00 0.00 C ATOM 272 CD2 LEU A 16 -4.533 12.335 -6.427 1.00 0.00 C ATOM 0 H LEU A 16 -7.612 13.901 -10.056 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.354 11.883 -10.179 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.638 14.199 -8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.506 13.097 -7.668 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.183 11.666 -8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.363 13.225 -7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.231 13.808 -9.256 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.545 14.547 -7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.588 11.942 -6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.767 13.267 -5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.326 11.610 -6.243 1.00 0.00 H new HETATM 284 N ABA A 17 -6.636 10.180 -8.642 1.00 0.00 N HETATM 285 CA ABA A 17 -7.519 9.049 -8.226 1.00 0.00 C HETATM 286 C ABA A 17 -6.684 7.914 -7.625 1.00 0.00 C HETATM 287 O ABA A 17 -6.241 7.024 -8.324 1.00 0.00 O HETATM 288 CB ABA A 17 -8.197 8.583 -9.515 1.00 0.00 C HETATM 289 CG ABA A 17 -8.841 7.216 -9.288 1.00 0.00 C HETATM 0 HG3 ABA A 17 -9.584 7.291 -8.494 1.00 0.00 H new HETATM 0 HG2 ABA A 17 -8.075 6.496 -9.001 1.00 0.00 H new HETATM 0 HG1 ABA A 17 -9.324 6.884 -10.207 1.00 0.00 H new HETATM 0 HB3 ABA A 17 -7.466 8.523 -10.321 1.00 0.00 H new HETATM 0 HB2 ABA A 17 -8.953 9.306 -9.823 1.00 0.00 H new HETATM 0 HA ABA A 17 -8.241 9.350 -7.466 1.00 0.00 H new HETATM 0 H ABA A 17 -5.627 10.116 -8.506 1.00 0.00 H new ATOM 297 N GLN A 18 -6.468 7.932 -6.336 1.00 0.00 N ATOM 298 CA GLN A 18 -5.667 6.844 -5.704 1.00 0.00 C ATOM 299 C GLN A 18 -6.103 5.490 -6.269 1.00 0.00 C ATOM 300 O GLN A 18 -7.141 4.963 -5.913 1.00 0.00 O ATOM 301 CB GLN A 18 -5.979 6.933 -4.210 1.00 0.00 C ATOM 302 CG GLN A 18 -5.550 8.302 -3.678 1.00 0.00 C ATOM 303 CD GLN A 18 -6.785 9.181 -3.471 1.00 0.00 C ATOM 304 OE1 GLN A 18 -6.943 10.191 -4.129 1.00 0.00 O ATOM 305 NE2 GLN A 18 -7.672 8.838 -2.578 1.00 0.00 N ATOM 0 H GLN A 18 -6.810 8.649 -5.697 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.599 6.945 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.045 6.784 -4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.457 6.142 -3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.012 8.186 -2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.865 8.778 -4.380 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.539 7.990 -2.026 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.499 9.417 -2.432 1.00 0.00 H new ATOM 314 N THR A 19 -5.328 4.936 -7.164 1.00 0.00 N ATOM 315 CA THR A 19 -5.705 3.629 -7.771 1.00 0.00 C ATOM 316 C THR A 19 -4.858 2.485 -7.205 1.00 0.00 C ATOM 317 O THR A 19 -3.911 2.038 -7.822 1.00 0.00 O ATOM 318 CB THR A 19 -5.435 3.799 -9.266 1.00 0.00 C ATOM 319 OG1 THR A 19 -6.360 4.731 -9.810 1.00 0.00 O ATOM 320 CG2 THR A 19 -5.590 2.452 -9.972 1.00 0.00 C ATOM 0 H THR A 19 -4.451 5.333 -7.500 1.00 0.00 H new ATOM 0 HA THR A 19 -6.743 3.374 -7.559 1.00 0.00 H new ATOM 0 HB THR A 19 -4.419 4.167 -9.412 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.233 5.604 -9.384 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.397 2.575 -11.038 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.879 1.739 -9.555 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.604 2.080 -9.828 1.00 0.00 H new ATOM 328 N PHE A 20 -5.206 1.992 -6.050 1.00 0.00 N ATOM 329 CA PHE A 20 -4.440 0.857 -5.461 1.00 0.00 C ATOM 330 C PHE A 20 -5.069 -0.452 -5.942 1.00 0.00 C ATOM 331 O PHE A 20 -5.929 -1.011 -5.293 1.00 0.00 O ATOM 332 CB PHE A 20 -4.597 1.017 -3.948 1.00 0.00 C ATOM 333 CG PHE A 20 -4.087 -0.220 -3.247 1.00 0.00 C ATOM 334 CD1 PHE A 20 -2.731 -0.332 -2.921 1.00 0.00 C ATOM 335 CD2 PHE A 20 -4.972 -1.255 -2.919 1.00 0.00 C ATOM 336 CE1 PHE A 20 -2.258 -1.477 -2.269 1.00 0.00 C ATOM 337 CE2 PHE A 20 -4.500 -2.400 -2.266 1.00 0.00 C ATOM 338 CZ PHE A 20 -3.144 -2.511 -1.942 1.00 0.00 C ATOM 0 H PHE A 20 -5.988 2.326 -5.487 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.388 0.846 -5.747 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.046 1.893 -3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.645 1.182 -3.697 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.048 0.466 -3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.019 -1.170 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.211 -1.563 -2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.183 -3.197 -2.013 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.780 -3.395 -1.439 1.00 0.00 H new ATOM 348 N VAL A 21 -4.676 -0.926 -7.094 1.00 0.00 N ATOM 349 CA VAL A 21 -5.290 -2.175 -7.629 1.00 0.00 C ATOM 350 C VAL A 21 -4.524 -3.418 -7.168 1.00 0.00 C ATOM 351 O VAL A 21 -3.363 -3.355 -6.815 1.00 0.00 O ATOM 352 CB VAL A 21 -5.213 -2.019 -9.146 1.00 0.00 C ATOM 353 CG1 VAL A 21 -5.689 -3.305 -9.819 1.00 0.00 C ATOM 354 CG2 VAL A 21 -6.104 -0.855 -9.586 1.00 0.00 C ATOM 0 H VAL A 21 -3.960 -0.504 -7.685 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.312 -2.311 -7.275 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.182 -1.819 -9.436 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.633 -3.191 -10.902 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.054 -4.135 -9.508 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.720 -3.508 -9.528 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.049 -0.744 -10.669 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.135 -1.055 -9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.764 0.064 -9.109 1.00 0.00 H new ATOM 364 N TYR A 22 -5.175 -4.552 -7.175 1.00 0.00 N ATOM 365 CA TYR A 22 -4.507 -5.815 -6.746 1.00 0.00 C ATOM 366 C TYR A 22 -4.458 -6.799 -7.920 1.00 0.00 C ATOM 367 O TYR A 22 -5.378 -6.883 -8.710 1.00 0.00 O ATOM 368 CB TYR A 22 -5.390 -6.355 -5.613 1.00 0.00 C ATOM 369 CG TYR A 22 -5.176 -7.845 -5.439 1.00 0.00 C ATOM 370 CD1 TYR A 22 -3.880 -8.373 -5.368 1.00 0.00 C ATOM 371 CD2 TYR A 22 -6.281 -8.697 -5.350 1.00 0.00 C ATOM 372 CE1 TYR A 22 -3.693 -9.750 -5.208 1.00 0.00 C ATOM 373 CE2 TYR A 22 -6.094 -10.075 -5.189 1.00 0.00 C ATOM 374 CZ TYR A 22 -4.799 -10.602 -5.119 1.00 0.00 C ATOM 375 OH TYR A 22 -4.614 -11.961 -4.960 1.00 0.00 O ATOM 0 H TYR A 22 -6.148 -4.657 -7.462 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.479 -5.662 -6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.156 -5.837 -4.683 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.438 -6.155 -5.834 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.025 -7.717 -5.437 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.280 -8.291 -5.406 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.694 -10.156 -5.153 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.949 -10.731 -5.119 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.486 -12.407 -4.915 1.00 0.00 H new ATOM 385 N GLY A 23 -3.392 -7.541 -8.045 1.00 0.00 N ATOM 386 CA GLY A 23 -3.291 -8.513 -9.170 1.00 0.00 C ATOM 387 C GLY A 23 -4.599 -9.299 -9.288 1.00 0.00 C ATOM 388 O GLY A 23 -5.443 -9.251 -8.416 1.00 0.00 O ATOM 0 H GLY A 23 -2.588 -7.516 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.086 -7.986 -10.102 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.459 -9.196 -9.000 1.00 0.00 H new ATOM 392 N GLY A 24 -4.771 -10.024 -10.360 1.00 0.00 N ATOM 393 CA GLY A 24 -6.025 -10.812 -10.532 1.00 0.00 C ATOM 394 C GLY A 24 -6.725 -10.387 -11.824 1.00 0.00 C ATOM 395 O GLY A 24 -6.791 -9.217 -12.148 1.00 0.00 O ATOM 0 H GLY A 24 -4.099 -10.105 -11.123 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.796 -11.877 -10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.686 -10.654 -9.680 1.00 0.00 H new ATOM 399 N CYS A 25 -7.250 -11.325 -12.564 1.00 0.00 N ATOM 400 CA CYS A 25 -7.946 -10.969 -13.835 1.00 0.00 C ATOM 401 C CYS A 25 -9.192 -10.131 -13.539 1.00 0.00 C ATOM 402 O CYS A 25 -9.604 -9.321 -14.345 1.00 0.00 O ATOM 403 CB CYS A 25 -8.338 -12.308 -14.463 1.00 0.00 C ATOM 404 SG CYS A 25 -8.082 -12.232 -16.254 1.00 0.00 S ATOM 0 H CYS A 25 -7.228 -12.321 -12.345 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.315 -10.377 -14.498 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.741 -13.112 -14.033 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.382 -12.533 -14.243 1.00 0.00 H new HETATM 409 N NH2 A 26 -9.816 -10.293 -12.404 1.00 0.00 N TER 412 NH2 A 26 HETATM 413 CA MPT B 1 -0.266 -15.003 0.555 1.00 0.00 C HETATM 414 C MPT B 1 -1.085 -13.858 -0.052 1.00 0.00 C HETATM 415 O MPT B 1 -1.348 -13.829 -1.239 1.00 0.00 O HETATM 416 CB MPT B 1 1.215 -14.635 0.574 1.00 0.00 C HETATM 417 SG MPT B 1 2.196 -16.051 0.019 1.00 0.00 S HETATM 0 HB2 MPT B 1 1.396 -13.777 -0.074 1.00 0.00 H new HETATM 0 HB1 MPT B 1 1.515 -14.343 1.580 1.00 0.00 H new HETATM 0 HA2 MPT B 1 -0.610 -15.210 1.568 1.00 0.00 H new HETATM 0 HA1 MPT B 1 -0.415 -15.914 -0.024 1.00 0.00 H new ATOM 422 N LYS B 2 -1.489 -12.915 0.754 1.00 0.00 N ATOM 423 CA LYS B 2 -2.289 -11.774 0.225 1.00 0.00 C ATOM 424 C LYS B 2 -1.360 -10.708 -0.362 1.00 0.00 C ATOM 425 O LYS B 2 -1.495 -9.532 -0.086 1.00 0.00 O ATOM 426 CB LYS B 2 -3.041 -11.224 1.439 1.00 0.00 C ATOM 427 CG LYS B 2 -4.119 -10.244 0.972 1.00 0.00 C ATOM 428 CD LYS B 2 -5.394 -11.014 0.624 1.00 0.00 C ATOM 429 CE LYS B 2 -6.350 -10.100 -0.145 1.00 0.00 C ATOM 430 NZ LYS B 2 -7.256 -9.530 0.891 1.00 0.00 N ATOM 0 H LYS B 2 -1.300 -12.885 1.756 1.00 0.00 H new ATOM 0 HA LYS B 2 -2.968 -12.076 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS B 2 -3.496 -12.041 1.999 1.00 0.00 H new ATOM 0 HB3 LYS B 2 -2.347 -10.723 2.113 1.00 0.00 H new ATOM 0 HG2 LYS B 2 -4.325 -9.514 1.755 1.00 0.00 H new ATOM 0 HG3 LYS B 2 -3.768 -9.689 0.102 1.00 0.00 H new ATOM 0 HD2 LYS B 2 -5.150 -11.890 0.023 1.00 0.00 H new ATOM 0 HD3 LYS B 2 -5.873 -11.375 1.534 1.00 0.00 H new ATOM 0 HE2 LYS B 2 -5.807 -9.314 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS B 2 -6.910 -10.657 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 -7.941 -8.891 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 -7.764 -10.301 1.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 -6.696 -8.999 1.588 1.00 0.00 H new ATOM 444 N ALA B 3 -0.415 -11.110 -1.167 1.00 0.00 N ATOM 445 CA ALA B 3 0.526 -10.122 -1.768 1.00 0.00 C ATOM 446 C ALA B 3 0.240 -9.957 -3.263 1.00 0.00 C ATOM 447 O ALA B 3 -0.821 -10.301 -3.744 1.00 0.00 O ATOM 448 CB ALA B 3 1.915 -10.720 -1.551 1.00 0.00 C ATOM 0 H ALA B 3 -0.254 -12.081 -1.435 1.00 0.00 H new ATOM 0 HA ALA B 3 0.431 -9.134 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA B 3 2.668 -10.051 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA B 3 2.093 -10.848 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA B 3 1.976 -11.688 -2.048 1.00 0.00 H new ATOM 454 N ARG B 4 1.183 -9.435 -4.000 1.00 0.00 N ATOM 455 CA ARG B 4 0.972 -9.245 -5.465 1.00 0.00 C ATOM 456 C ARG B 4 -0.163 -8.249 -5.715 1.00 0.00 C ATOM 457 O ARG B 4 -1.192 -8.590 -6.261 1.00 0.00 O ATOM 458 CB ARG B 4 0.598 -10.629 -5.997 1.00 0.00 C ATOM 459 CG ARG B 4 0.728 -10.640 -7.522 1.00 0.00 C ATOM 460 CD ARG B 4 2.208 -10.618 -7.909 1.00 0.00 C ATOM 461 NE ARG B 4 2.234 -10.058 -9.289 1.00 0.00 N ATOM 462 CZ ARG B 4 2.518 -8.799 -9.478 1.00 0.00 C ATOM 463 NH1 ARG B 4 3.762 -8.414 -9.559 1.00 0.00 N ATOM 464 NH2 ARG B 4 1.556 -7.922 -9.585 1.00 0.00 N ATOM 0 H ARG B 4 2.092 -9.131 -3.651 1.00 0.00 H new ATOM 0 HA ARG B 4 1.858 -8.845 -5.958 1.00 0.00 H new ATOM 0 HB2 ARG B 4 1.249 -11.387 -5.560 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -0.422 -10.879 -5.706 1.00 0.00 H new ATOM 0 HG2 ARG B 4 0.247 -11.528 -7.932 1.00 0.00 H new ATOM 0 HG3 ARG B 4 0.217 -9.776 -7.947 1.00 0.00 H new ATOM 0 HD2 ARG B 4 2.787 -10.002 -7.221 1.00 0.00 H new ATOM 0 HD3 ARG B 4 2.639 -11.619 -7.880 1.00 0.00 H new ATOM 0 HE ARG B 4 2.030 -10.660 -10.087 1.00 0.00 H new ATOM 0 HH11 ARG B 4 4.514 -9.098 -9.475 1.00 0.00 H new ATOM 0 HH12 ARG B 4 3.982 -7.429 -9.707 1.00 0.00 H new ATOM 0 HH21 ARG B 4 0.583 -8.222 -9.521 1.00 0.00 H new ATOM 0 HH22 ARG B 4 1.778 -6.937 -9.733 1.00 0.00 H new ATOM 478 N ILE B 5 0.020 -7.018 -5.322 1.00 0.00 N ATOM 479 CA ILE B 5 -1.049 -6.000 -5.543 1.00 0.00 C ATOM 480 C ILE B 5 -0.513 -4.848 -6.388 1.00 0.00 C ATOM 481 O ILE B 5 0.385 -4.135 -5.986 1.00 0.00 O ATOM 482 CB ILE B 5 -1.454 -5.493 -4.150 1.00 0.00 C ATOM 483 CG1 ILE B 5 -0.240 -5.502 -3.206 1.00 0.00 C ATOM 484 CG2 ILE B 5 -2.561 -6.383 -3.580 1.00 0.00 C ATOM 485 CD1 ILE B 5 -0.007 -6.917 -2.667 1.00 0.00 C ATOM 0 H ILE B 5 0.861 -6.673 -4.859 1.00 0.00 H new ATOM 0 HA ILE B 5 -1.900 -6.427 -6.073 1.00 0.00 H new ATOM 0 HB ILE B 5 -1.821 -4.471 -4.239 1.00 0.00 H new ATOM 0 HG12 ILE B 5 0.647 -5.155 -3.737 1.00 0.00 H new ATOM 0 HG13 ILE B 5 -0.407 -4.812 -2.379 1.00 0.00 H new ATOM 0 HG21 ILE B 5 -2.846 -6.021 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE B 5 -3.427 -6.355 -4.241 1.00 0.00 H new ATOM 0 HG23 ILE B 5 -2.199 -7.408 -3.500 1.00 0.00 H new ATOM 0 HD11 ILE B 5 0.855 -6.915 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE B 5 -0.890 -7.248 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE B 5 0.180 -7.597 -3.498 1.00 0.00 H new ATOM 497 N ILE B 6 -1.058 -4.654 -7.558 1.00 0.00 N ATOM 498 CA ILE B 6 -0.574 -3.541 -8.415 1.00 0.00 C ATOM 499 C ILE B 6 -1.050 -2.200 -7.837 1.00 0.00 C ATOM 500 O ILE B 6 -1.827 -1.469 -8.425 1.00 0.00 O ATOM 501 CB ILE B 6 -1.147 -3.822 -9.808 1.00 0.00 C ATOM 502 CG1 ILE B 6 -0.353 -3.040 -10.861 1.00 0.00 C ATOM 503 CG2 ILE B 6 -2.617 -3.417 -9.868 1.00 0.00 C ATOM 504 CD1 ILE B 6 -0.466 -1.538 -10.590 1.00 0.00 C ATOM 0 H ILE B 6 -1.812 -5.215 -7.953 1.00 0.00 H new ATOM 0 HA ILE B 6 0.513 -3.477 -8.462 1.00 0.00 H new ATOM 0 HB ILE B 6 -1.067 -4.890 -10.012 1.00 0.00 H new ATOM 0 HG12 ILE B 6 0.693 -3.344 -10.840 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -0.731 -3.268 -11.858 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.011 -3.622 -10.863 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -3.182 -3.987 -9.130 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -2.710 -2.352 -9.654 1.00 0.00 H new ATOM 0 HD11 ILE B 6 0.101 -0.989 -11.342 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -1.513 -1.238 -10.634 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -0.066 -1.316 -9.601 1.00 0.00 H new ATOM 516 N ARG B 7 -0.568 -1.886 -6.670 1.00 0.00 N ATOM 517 CA ARG B 7 -0.938 -0.595 -6.002 1.00 0.00 C ATOM 518 C ARG B 7 -0.615 0.602 -6.909 1.00 0.00 C ATOM 519 O ARG B 7 0.486 1.138 -6.885 1.00 0.00 O ATOM 520 CB ARG B 7 -0.099 -0.503 -4.713 1.00 0.00 C ATOM 521 CG ARG B 7 1.217 -1.299 -4.809 1.00 0.00 C ATOM 522 CD ARG B 7 1.894 -1.110 -6.179 1.00 0.00 C ATOM 523 NE ARG B 7 2.462 -2.447 -6.508 1.00 0.00 N ATOM 524 CZ ARG B 7 2.791 -2.732 -7.738 1.00 0.00 C ATOM 525 NH1 ARG B 7 3.254 -1.798 -8.523 1.00 0.00 N ATOM 526 NH2 ARG B 7 2.659 -3.952 -8.184 1.00 0.00 N ATOM 0 H ARG B 7 0.075 -2.472 -6.138 1.00 0.00 H new ATOM 0 HA ARG B 7 -2.007 -0.572 -5.789 1.00 0.00 H new ATOM 0 HB2 ARG B 7 0.127 0.543 -4.504 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -0.686 -0.876 -3.874 1.00 0.00 H new ATOM 0 HG2 ARG B 7 1.896 -0.977 -4.019 1.00 0.00 H new ATOM 0 HG3 ARG B 7 1.016 -2.358 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG B 7 1.177 -0.788 -6.934 1.00 0.00 H new ATOM 0 HD3 ARG B 7 2.673 -0.349 -6.134 1.00 0.00 H new ATOM 0 HE ARG B 7 2.594 -3.140 -5.771 1.00 0.00 H new ATOM 0 HH11 ARG B 7 3.359 -0.845 -8.175 1.00 0.00 H new ATOM 0 HH12 ARG B 7 3.511 -2.021 -9.485 1.00 0.00 H new ATOM 0 HH21 ARG B 7 2.298 -4.683 -7.571 1.00 0.00 H new ATOM 0 HH22 ARG B 7 2.916 -4.174 -9.146 1.00 0.00 H new ATOM 540 N TYR B 8 -1.569 1.024 -7.697 1.00 0.00 N ATOM 541 CA TYR B 8 -1.344 2.184 -8.609 1.00 0.00 C ATOM 542 C TYR B 8 -1.743 3.490 -7.915 1.00 0.00 C ATOM 543 O TYR B 8 -2.303 3.486 -6.836 1.00 0.00 O ATOM 544 CB TYR B 8 -2.266 1.924 -9.801 1.00 0.00 C ATOM 545 CG TYR B 8 -1.447 1.584 -11.022 1.00 0.00 C ATOM 546 CD1 TYR B 8 -0.248 2.259 -11.272 1.00 0.00 C ATOM 547 CD2 TYR B 8 -1.894 0.595 -11.907 1.00 0.00 C ATOM 548 CE1 TYR B 8 0.508 1.944 -12.408 1.00 0.00 C ATOM 549 CE2 TYR B 8 -1.138 0.279 -13.043 1.00 0.00 C ATOM 550 CZ TYR B 8 0.062 0.954 -13.293 1.00 0.00 C ATOM 551 OH TYR B 8 0.807 0.644 -14.413 1.00 0.00 O ATOM 0 H TYR B 8 -2.501 0.612 -7.748 1.00 0.00 H new ATOM 0 HA TYR B 8 -0.299 2.281 -8.902 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -2.949 1.106 -9.572 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -2.878 2.805 -9.997 1.00 0.00 H new ATOM 0 HD1 TYR B 8 0.095 3.023 -10.590 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -2.821 0.076 -11.714 1.00 0.00 H new ATOM 0 HE1 TYR B 8 1.434 2.464 -12.602 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -1.481 -0.485 -13.725 1.00 0.00 H new ATOM 0 HH TYR B 8 0.357 -0.064 -14.919 1.00 0.00 H new ATOM 561 N PHE B 9 -1.469 4.607 -8.532 1.00 0.00 N ATOM 562 CA PHE B 9 -1.845 5.914 -7.917 1.00 0.00 C ATOM 563 C PHE B 9 -2.125 6.948 -9.010 1.00 0.00 C ATOM 564 O PHE B 9 -1.391 7.902 -9.176 1.00 0.00 O ATOM 565 CB PHE B 9 -0.636 6.335 -7.084 1.00 0.00 C ATOM 566 CG PHE B 9 -0.994 7.556 -6.269 1.00 0.00 C ATOM 567 CD1 PHE B 9 -1.609 7.409 -5.019 1.00 0.00 C ATOM 568 CD2 PHE B 9 -0.713 8.836 -6.764 1.00 0.00 C ATOM 569 CE1 PHE B 9 -1.940 8.541 -4.264 1.00 0.00 C ATOM 570 CE2 PHE B 9 -1.046 9.967 -6.009 1.00 0.00 C ATOM 571 CZ PHE B 9 -1.660 9.819 -4.760 1.00 0.00 C ATOM 0 H PHE B 9 -1.001 4.672 -9.436 1.00 0.00 H new ATOM 0 HA PHE B 9 -2.746 5.835 -7.309 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -0.331 5.521 -6.426 1.00 0.00 H new ATOM 0 HB3 PHE B 9 0.211 6.553 -7.735 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -1.828 6.423 -4.638 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -0.240 8.950 -7.728 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -2.411 8.428 -3.299 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -0.829 10.954 -6.390 1.00 0.00 H new ATOM 0 HZ PHE B 9 -1.918 10.692 -4.179 1.00 0.00 H new ATOM 581 N TYR B 10 -3.179 6.766 -9.757 1.00 0.00 N ATOM 582 CA TYR B 10 -3.502 7.738 -10.841 1.00 0.00 C ATOM 583 C TYR B 10 -3.294 9.172 -10.345 1.00 0.00 C ATOM 584 O TYR B 10 -4.109 9.714 -9.624 1.00 0.00 O ATOM 585 CB TYR B 10 -4.975 7.491 -11.167 1.00 0.00 C ATOM 586 CG TYR B 10 -5.264 7.960 -12.573 1.00 0.00 C ATOM 587 CD1 TYR B 10 -4.538 7.437 -13.649 1.00 0.00 C ATOM 588 CD2 TYR B 10 -6.259 8.919 -12.799 1.00 0.00 C ATOM 589 CE1 TYR B 10 -4.807 7.873 -14.953 1.00 0.00 C ATOM 590 CE2 TYR B 10 -6.527 9.355 -14.102 1.00 0.00 C ATOM 591 CZ TYR B 10 -5.802 8.831 -15.179 1.00 0.00 C ATOM 592 OH TYR B 10 -6.067 9.259 -16.464 1.00 0.00 O ATOM 0 H TYR B 10 -3.831 5.987 -9.664 1.00 0.00 H new ATOM 0 HA TYR B 10 -2.864 7.610 -11.715 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -5.207 6.430 -11.071 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -5.610 8.022 -10.457 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -3.771 6.697 -13.474 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -6.819 9.322 -11.968 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -4.247 7.470 -15.784 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -7.293 10.096 -14.276 1.00 0.00 H new ATOM 0 HH TYR B 10 -6.786 9.924 -16.445 1.00 0.00 H new ATOM 602 N ASN B 11 -2.210 9.790 -10.726 1.00 0.00 N ATOM 603 CA ASN B 11 -1.951 11.188 -10.276 1.00 0.00 C ATOM 604 C ASN B 11 -2.010 12.146 -11.469 1.00 0.00 C ATOM 605 O ASN B 11 -1.394 11.917 -12.491 1.00 0.00 O ATOM 606 CB ASN B 11 -0.544 11.159 -9.679 1.00 0.00 C ATOM 607 CG ASN B 11 -0.252 12.495 -8.992 1.00 0.00 C ATOM 608 OD1 ASN B 11 -0.562 13.544 -9.521 1.00 0.00 O ATOM 609 ND2 ASN B 11 0.336 12.500 -7.827 1.00 0.00 N ATOM 0 H ASN B 11 -1.492 9.388 -11.329 1.00 0.00 H new ATOM 0 HA ASN B 11 -2.691 11.534 -9.554 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -0.459 10.343 -8.961 1.00 0.00 H new ATOM 0 HB3 ASN B 11 0.191 10.973 -10.462 1.00 0.00 H new ATOM 0 HD21 ASN B 11 0.535 13.385 -7.360 1.00 0.00 H new ATOM 0 HD22 ASN B 11 0.596 11.619 -7.383 1.00 0.00 H new ATOM 616 N ALA B 12 -2.746 13.216 -11.347 1.00 0.00 N ATOM 617 CA ALA B 12 -2.846 14.187 -12.474 1.00 0.00 C ATOM 618 C ALA B 12 -1.469 14.775 -12.793 1.00 0.00 C ATOM 619 O ALA B 12 -0.500 14.521 -12.106 1.00 0.00 O ATOM 620 CB ALA B 12 -3.791 15.279 -11.972 1.00 0.00 C ATOM 0 H ALA B 12 -3.283 13.461 -10.515 1.00 0.00 H new ATOM 0 HA ALA B 12 -3.210 13.720 -13.389 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -3.917 16.035 -12.747 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -4.759 14.840 -11.732 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.371 15.741 -11.079 1.00 0.00 H new ATOM 626 N LYS B 13 -1.375 15.561 -13.831 1.00 0.00 N ATOM 627 CA LYS B 13 -0.061 16.165 -14.193 1.00 0.00 C ATOM 628 C LYS B 13 0.606 16.755 -12.948 1.00 0.00 C ATOM 629 O LYS B 13 1.813 16.885 -12.880 1.00 0.00 O ATOM 630 CB LYS B 13 -0.395 17.270 -15.196 1.00 0.00 C ATOM 631 CG LYS B 13 -1.190 16.679 -16.362 1.00 0.00 C ATOM 632 CD LYS B 13 -1.118 17.628 -17.562 1.00 0.00 C ATOM 633 CE LYS B 13 -2.059 18.812 -17.332 1.00 0.00 C ATOM 634 NZ LYS B 13 -3.333 18.426 -17.999 1.00 0.00 N ATOM 0 H LYS B 13 -2.151 15.811 -14.444 1.00 0.00 H new ATOM 0 HA LYS B 13 0.631 15.433 -14.610 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -0.973 18.055 -14.709 1.00 0.00 H new ATOM 0 HB3 LYS B 13 0.522 17.731 -15.564 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -0.788 15.703 -16.632 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -2.228 16.526 -16.068 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -0.096 17.983 -17.698 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -1.396 17.100 -18.474 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -2.210 18.995 -16.268 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -1.652 19.729 -17.759 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -4.030 19.189 -17.885 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.160 18.264 -19.012 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.701 17.554 -17.567 1.00 0.00 H new ATOM 648 N ASP B 14 -0.170 17.115 -11.962 1.00 0.00 N ATOM 649 CA ASP B 14 0.420 17.695 -10.721 1.00 0.00 C ATOM 650 C ASP B 14 1.658 16.899 -10.302 1.00 0.00 C ATOM 651 O ASP B 14 2.575 17.427 -9.706 1.00 0.00 O ATOM 652 CB ASP B 14 -0.680 17.573 -9.667 1.00 0.00 C ATOM 653 CG ASP B 14 -1.512 18.857 -9.645 1.00 0.00 C ATOM 654 OD1 ASP B 14 -1.866 19.328 -10.712 1.00 0.00 O ATOM 655 OD2 ASP B 14 -1.781 19.346 -8.560 1.00 0.00 O ATOM 0 H ASP B 14 -1.187 17.033 -11.962 1.00 0.00 H new ATOM 0 HA ASP B 14 0.740 18.728 -10.858 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -1.318 16.718 -9.889 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -0.240 17.396 -8.686 1.00 0.00 H new ATOM 660 N GLY B 15 1.690 15.631 -10.610 1.00 0.00 N ATOM 661 CA GLY B 15 2.868 14.802 -10.229 1.00 0.00 C ATOM 662 C GLY B 15 3.230 13.867 -11.384 1.00 0.00 C ATOM 663 O GLY B 15 3.772 14.287 -12.388 1.00 0.00 O ATOM 0 H GLY B 15 0.952 15.134 -11.109 1.00 0.00 H new ATOM 0 HA2 GLY B 15 3.715 15.444 -9.988 1.00 0.00 H new ATOM 0 HA3 GLY B 15 2.643 14.222 -9.334 1.00 0.00 H new HETATM 667 N CLH B 16 2.935 12.604 -11.251 1.00 0.00 N HETATM 668 CA CLH B 16 3.262 11.641 -12.341 1.00 0.00 C HETATM 669 CB CLH B 16 4.773 11.764 -12.540 1.00 0.00 C HETATM 670 CG CLH B 16 5.059 12.424 -13.889 1.00 0.00 C HETATM 671 CD CLH B 16 5.133 11.351 -14.977 1.00 0.00 C HETATM 672 CE CLH B 16 4.306 11.791 -16.187 1.00 0.00 C HETATM 673 NZ CLH B 16 2.896 11.484 -15.821 1.00 0.00 N HETATM 674 CH CLH B 16 2.365 10.345 -16.169 1.00 0.00 C HETATM 675 OI CLH B 16 3.000 9.518 -16.793 1.00 0.00 O HETATM 676 CI CLH B 16 0.912 10.088 -15.763 1.00 0.00 C HETATM 677 NJ CLH B 16 0.617 8.631 -15.861 1.00 0.00 N HETATM 678 CK CLH B 16 -0.602 8.200 -15.692 1.00 0.00 C HETATM 679 OL CLH B 16 -1.559 8.909 -15.453 1.00 0.00 O HETATM 680 C CLH B 16 2.890 10.218 -11.917 1.00 0.00 C HETATM 681 O CLH B 16 3.744 9.407 -11.624 1.00 0.00 O HETATM 682 CL CLH B 16 -0.687 6.828 -15.817 1.00 0.00 C HETATM 0 HZ CLH B 16 2.345 12.165 -15.298 1.00 0.00 H new HETATM 0 HNJ CLH B 16 1.368 7.971 -16.060 1.00 0.00 H new HETATM 0 HI2 CLH B 16 0.741 10.436 -14.744 1.00 0.00 H new HETATM 0 HI1 CLH B 16 0.238 10.650 -16.409 1.00 0.00 H new HETATM 0 HG3 CLH B 16 4.276 13.144 -14.127 1.00 0.00 H new HETATM 0 HG2 CLH B 16 5.998 12.976 -13.844 1.00 0.00 H new HETATM 0 HE3 CLH B 16 4.439 12.854 -16.391 1.00 0.00 H new HETATM 0 HE2 CLH B 16 4.606 11.254 -17.087 1.00 0.00 H new HETATM 0 HD3 CLH B 16 6.170 11.188 -15.272 1.00 0.00 H new HETATM 0 HD2 CLH B 16 4.758 10.402 -14.593 1.00 0.00 H new HETATM 0 HB3 CLH B 16 5.209 12.355 -11.735 1.00 0.00 H new HETATM 0 HB2 CLH B 16 5.237 10.778 -12.500 1.00 0.00 H new HETATM 0 HA CLH B 16 2.713 11.853 -13.258 1.00 0.00 H new HETATM 698 N ABA B 17 1.617 9.916 -11.882 1.00 0.00 N HETATM 699 CA ABA B 17 1.173 8.548 -11.476 1.00 0.00 C HETATM 700 C ABA B 17 2.033 8.023 -10.324 1.00 0.00 C HETATM 701 O ABA B 17 2.705 8.773 -9.644 1.00 0.00 O HETATM 702 CB ABA B 17 1.348 7.681 -12.726 1.00 0.00 C HETATM 703 CG ABA B 17 2.836 7.441 -12.989 1.00 0.00 C HETATM 0 HN2 ABA B 17 1.140 10.403 -12.641 1.00 0.00 H new HETATM 0 HG3 ABA B 17 3.279 6.931 -12.133 1.00 0.00 H new HETATM 0 HG2 ABA B 17 3.337 8.397 -13.142 1.00 0.00 H new HETATM 0 HG1 ABA B 17 2.953 6.824 -13.880 1.00 0.00 H new HETATM 0 HB3 ABA B 17 0.892 8.171 -13.586 1.00 0.00 H new HETATM 0 HB2 ABA B 17 0.835 6.728 -12.593 1.00 0.00 H new HETATM 0 HA ABA B 17 0.142 8.541 -11.121 1.00 0.00 H new ATOM 711 N GLN B 18 2.015 6.738 -10.098 1.00 0.00 N ATOM 712 CA GLN B 18 2.831 6.163 -8.990 1.00 0.00 C ATOM 713 C GLN B 18 2.450 4.699 -8.761 1.00 0.00 C ATOM 714 O GLN B 18 1.355 4.276 -9.075 1.00 0.00 O ATOM 715 CB GLN B 18 2.487 7.000 -7.756 1.00 0.00 C ATOM 716 CG GLN B 18 3.745 7.708 -7.251 1.00 0.00 C ATOM 717 CD GLN B 18 3.349 8.828 -6.289 1.00 0.00 C ATOM 718 OE1 GLN B 18 3.751 8.834 -5.143 1.00 0.00 O ATOM 719 NE2 GLN B 18 2.568 9.787 -6.710 1.00 0.00 N ATOM 0 H GLN B 18 1.471 6.061 -10.632 1.00 0.00 H new ATOM 0 HA GLN B 18 3.898 6.188 -9.213 1.00 0.00 H new ATOM 0 HB2 GLN B 18 1.719 7.733 -8.004 1.00 0.00 H new ATOM 0 HB3 GLN B 18 2.078 6.361 -6.973 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.398 6.996 -6.747 1.00 0.00 H new ATOM 0 HG3 GLN B 18 4.307 8.117 -8.091 1.00 0.00 H new ATOM 0 HE21 GLN B 18 2.229 9.784 -7.672 1.00 0.00 H new ATOM 0 HE22 GLN B 18 2.297 10.539 -6.077 1.00 0.00 H new ATOM 728 N THR B 19 3.345 3.925 -8.217 1.00 0.00 N ATOM 729 CA THR B 19 3.038 2.489 -7.964 1.00 0.00 C ATOM 730 C THR B 19 4.035 1.913 -6.956 1.00 0.00 C ATOM 731 O THR B 19 5.223 1.859 -7.207 1.00 0.00 O ATOM 732 CB THR B 19 3.193 1.804 -9.324 1.00 0.00 C ATOM 733 OG1 THR B 19 2.997 2.758 -10.358 1.00 0.00 O ATOM 734 CG2 THR B 19 2.158 0.686 -9.457 1.00 0.00 C ATOM 0 H THR B 19 4.279 4.225 -7.936 1.00 0.00 H new ATOM 0 HA THR B 19 2.041 2.344 -7.548 1.00 0.00 H new ATOM 0 HB THR B 19 4.194 1.380 -9.404 1.00 0.00 H new ATOM 0 HG1 THR B 19 2.172 2.549 -10.843 1.00 0.00 H new ATOM 0 HG21 THR B 19 2.270 0.200 -10.426 1.00 0.00 H new ATOM 0 HG22 THR B 19 2.309 -0.046 -8.664 1.00 0.00 H new ATOM 0 HG23 THR B 19 1.156 1.107 -9.376 1.00 0.00 H new ATOM 742 N PHE B 20 3.565 1.484 -5.817 1.00 0.00 N ATOM 743 CA PHE B 20 4.502 0.912 -4.794 1.00 0.00 C ATOM 744 C PHE B 20 4.659 -0.600 -5.008 1.00 0.00 C ATOM 745 O PHE B 20 3.840 -1.382 -4.575 1.00 0.00 O ATOM 746 CB PHE B 20 3.845 1.187 -3.435 1.00 0.00 C ATOM 747 CG PHE B 20 3.169 2.538 -3.447 1.00 0.00 C ATOM 748 CD1 PHE B 20 3.848 3.658 -3.941 1.00 0.00 C ATOM 749 CD2 PHE B 20 1.860 2.669 -2.968 1.00 0.00 C ATOM 750 CE1 PHE B 20 3.219 4.909 -3.953 1.00 0.00 C ATOM 751 CE2 PHE B 20 1.231 3.919 -2.980 1.00 0.00 C ATOM 752 CZ PHE B 20 1.910 5.039 -3.472 1.00 0.00 C ATOM 0 H PHE B 20 2.582 1.502 -5.547 1.00 0.00 H new ATOM 0 HA PHE B 20 5.495 1.356 -4.862 1.00 0.00 H new ATOM 0 HB2 PHE B 20 3.115 0.409 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE B 20 4.597 1.155 -2.646 1.00 0.00 H new ATOM 0 HD1 PHE B 20 4.857 3.557 -4.313 1.00 0.00 H new ATOM 0 HD2 PHE B 20 1.335 1.805 -2.589 1.00 0.00 H new ATOM 0 HE1 PHE B 20 3.743 5.773 -4.333 1.00 0.00 H new ATOM 0 HE2 PHE B 20 0.221 4.019 -2.610 1.00 0.00 H new ATOM 0 HZ PHE B 20 1.425 6.004 -3.481 1.00 0.00 H new ATOM 762 N VAL B 21 5.697 -1.022 -5.673 1.00 0.00 N ATOM 763 CA VAL B 21 5.870 -2.485 -5.912 1.00 0.00 C ATOM 764 C VAL B 21 6.621 -3.135 -4.747 1.00 0.00 C ATOM 765 O VAL B 21 7.691 -2.704 -4.364 1.00 0.00 O ATOM 766 CB VAL B 21 6.693 -2.580 -7.197 1.00 0.00 C ATOM 767 CG1 VAL B 21 6.965 -4.049 -7.524 1.00 0.00 C ATOM 768 CG2 VAL B 21 5.915 -1.939 -8.349 1.00 0.00 C ATOM 0 H VAL B 21 6.428 -0.425 -6.059 1.00 0.00 H new ATOM 0 HA VAL B 21 4.914 -3.002 -5.996 1.00 0.00 H new ATOM 0 HB VAL B 21 7.640 -2.057 -7.060 1.00 0.00 H new ATOM 0 HG11 VAL B 21 7.552 -4.115 -8.440 1.00 0.00 H new ATOM 0 HG12 VAL B 21 7.519 -4.508 -6.705 1.00 0.00 H new ATOM 0 HG13 VAL B 21 6.019 -4.573 -7.660 1.00 0.00 H new ATOM 0 HG21 VAL B 21 6.501 -2.006 -9.266 1.00 0.00 H new ATOM 0 HG22 VAL B 21 4.968 -2.462 -8.484 1.00 0.00 H new ATOM 0 HG23 VAL B 21 5.721 -0.891 -8.119 1.00 0.00 H new ATOM 778 N TYR B 22 6.060 -4.170 -4.180 1.00 0.00 N ATOM 779 CA TYR B 22 6.726 -4.854 -3.037 1.00 0.00 C ATOM 780 C TYR B 22 6.077 -6.220 -2.788 1.00 0.00 C ATOM 781 O TYR B 22 6.126 -6.751 -1.696 1.00 0.00 O ATOM 782 CB TYR B 22 6.499 -3.930 -1.840 1.00 0.00 C ATOM 783 CG TYR B 22 5.049 -3.996 -1.420 1.00 0.00 C ATOM 784 CD1 TYR B 22 4.058 -3.432 -2.234 1.00 0.00 C ATOM 785 CD2 TYR B 22 4.695 -4.623 -0.220 1.00 0.00 C ATOM 786 CE1 TYR B 22 2.713 -3.495 -1.845 1.00 0.00 C ATOM 787 CE2 TYR B 22 3.351 -4.686 0.168 1.00 0.00 C ATOM 788 CZ TYR B 22 2.360 -4.123 -0.645 1.00 0.00 C ATOM 789 OH TYR B 22 1.036 -4.186 -0.264 1.00 0.00 O ATOM 0 H TYR B 22 5.166 -4.571 -4.462 1.00 0.00 H new ATOM 0 HA TYR B 22 7.785 -5.033 -3.222 1.00 0.00 H new ATOM 0 HB2 TYR B 22 7.142 -4.226 -1.011 1.00 0.00 H new ATOM 0 HB3 TYR B 22 6.767 -2.906 -2.101 1.00 0.00 H new ATOM 0 HD1 TYR B 22 4.330 -2.949 -3.161 1.00 0.00 H new ATOM 0 HD2 TYR B 22 5.459 -5.059 0.407 1.00 0.00 H new ATOM 0 HE1 TYR B 22 1.949 -3.059 -2.471 1.00 0.00 H new ATOM 0 HE2 TYR B 22 3.079 -5.169 1.095 1.00 0.00 H new ATOM 0 HH TYR B 22 0.964 -4.656 0.593 1.00 0.00 H new ATOM 799 N GLY B 23 5.466 -6.790 -3.790 1.00 0.00 N ATOM 800 CA GLY B 23 4.812 -8.117 -3.607 1.00 0.00 C ATOM 801 C GLY B 23 5.876 -9.175 -3.304 1.00 0.00 C ATOM 802 O GLY B 23 6.962 -9.150 -3.846 1.00 0.00 O ATOM 0 H GLY B 23 5.391 -6.395 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY B 23 4.090 -8.069 -2.792 1.00 0.00 H new ATOM 0 HA3 GLY B 23 4.260 -8.389 -4.507 1.00 0.00 H new ATOM 806 N GLY B 24 5.570 -10.107 -2.442 1.00 0.00 N ATOM 807 CA GLY B 24 6.562 -11.168 -2.105 1.00 0.00 C ATOM 808 C GLY B 24 6.062 -12.513 -2.631 1.00 0.00 C ATOM 809 O GLY B 24 6.834 -13.403 -2.922 1.00 0.00 O ATOM 0 H GLY B 24 4.676 -10.179 -1.957 1.00 0.00 H new ATOM 0 HA2 GLY B 24 7.530 -10.930 -2.545 1.00 0.00 H new ATOM 0 HA3 GLY B 24 6.706 -11.218 -1.026 1.00 0.00 H new ATOM 813 N CYS B 25 4.772 -12.668 -2.757 1.00 0.00 N ATOM 814 CA CYS B 25 4.222 -13.956 -3.266 1.00 0.00 C ATOM 815 C CYS B 25 3.666 -13.768 -4.681 1.00 0.00 C ATOM 816 O CYS B 25 3.983 -12.807 -5.353 1.00 0.00 O ATOM 817 CB CYS B 25 3.103 -14.323 -2.293 1.00 0.00 C ATOM 818 SG CYS B 25 3.800 -15.217 -0.882 1.00 0.00 S ATOM 0 H CYS B 25 4.076 -11.958 -2.529 1.00 0.00 H new ATOM 0 HA CYS B 25 4.981 -14.736 -3.323 1.00 0.00 H new ATOM 0 HB2 CYS B 25 2.594 -13.422 -1.951 1.00 0.00 H new ATOM 0 HB3 CYS B 25 2.357 -14.939 -2.795 1.00 0.00 H new HETATM 823 N NH2 B 26 2.843 -14.658 -5.165 1.00 0.00 N TER 826 NH2 B 26