USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=9 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 CLGHNM1 : 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 17 ABA H : 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 HN2 : B 17 ABA N : B 16 CLH C :(H bumps) USER MOD NoAdj-H: B 17 ABA H : B 17 ABA N : B 16 CLH C :(H bumps) USER MOD Single : A 2 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0129) 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 11 ASN : amide:sc= -0.0431 X(o=-0.043,f=-0.3) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.036) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 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= -1.55 K(o=-1.5,f=-4.6!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.253 USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 CA MPT A 1 -2.534 -16.752 -8.854 1.00 0.00 C HETATM 2 C MPT A 1 -3.032 -15.856 -9.993 1.00 0.00 C HETATM 3 O MPT A 1 -2.262 -15.189 -10.654 1.00 0.00 O HETATM 4 CB MPT A 1 -1.387 -17.631 -9.342 1.00 0.00 C HETATM 5 SG MPT A 1 0.038 -17.427 -8.243 1.00 0.00 S HETATM 0 HB2 MPT A 1 -1.698 -18.676 -9.362 1.00 0.00 H new HETATM 0 HB1 MPT A 1 -1.115 -17.360 -10.362 1.00 0.00 H new HETATM 0 HA2 MPT A 1 -2.201 -16.138 -8.017 1.00 0.00 H new HETATM 0 HA1 MPT A 1 -3.350 -17.375 -8.488 1.00 0.00 H new ATOM 10 N LYS A 2 -4.316 -15.835 -10.226 1.00 0.00 N ATOM 11 CA LYS A 2 -4.862 -14.983 -11.321 1.00 0.00 C ATOM 12 C LYS A 2 -5.928 -14.031 -10.771 1.00 0.00 C ATOM 13 O LYS A 2 -7.005 -13.907 -11.320 1.00 0.00 O ATOM 14 CB LYS A 2 -5.481 -15.965 -12.317 1.00 0.00 C ATOM 15 CG LYS A 2 -4.408 -16.940 -12.806 1.00 0.00 C ATOM 16 CD LYS A 2 -3.471 -16.223 -13.778 1.00 0.00 C ATOM 17 CE LYS A 2 -2.728 -17.256 -14.628 1.00 0.00 C ATOM 18 NZ LYS A 2 -1.662 -17.792 -13.738 1.00 0.00 N ATOM 0 H LYS A 2 -5.011 -16.371 -9.706 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.093 -14.364 -11.784 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.297 -16.512 -11.845 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.907 -15.423 -13.161 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.842 -17.329 -11.959 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.874 -17.794 -13.297 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.041 -15.551 -14.420 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.758 -15.610 -13.227 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.398 -18.048 -14.962 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.303 -16.800 -15.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.732 -17.638 -14.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.697 -17.303 -12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.811 -18.811 -13.592 1.00 0.00 H new ATOM 32 N ALA A 3 -5.637 -13.361 -9.690 1.00 0.00 N ATOM 33 CA ALA A 3 -6.634 -12.419 -9.106 1.00 0.00 C ATOM 34 C ALA A 3 -6.224 -10.972 -9.388 1.00 0.00 C ATOM 35 O ALA A 3 -6.081 -10.169 -8.488 1.00 0.00 O ATOM 36 CB ALA A 3 -6.611 -12.699 -7.603 1.00 0.00 C ATOM 0 H ALA A 3 -4.753 -13.425 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.628 -12.555 -9.531 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.321 -12.043 -7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.886 -13.738 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.609 -12.516 -7.214 1.00 0.00 H new HETATM 42 N CLG A 4 -6.032 -10.632 -10.633 1.00 0.00 N HETATM 43 CA CLG A 4 -5.630 -9.236 -10.972 1.00 0.00 C HETATM 44 CB CLG A 4 -4.885 -9.351 -12.302 1.00 0.00 C HETATM 45 CG CLG A 4 -4.352 -7.976 -12.709 1.00 0.00 C HETATM 46 CD CLG A 4 -3.483 -7.411 -11.584 1.00 0.00 C HETATM 47 CE CLG A 4 -2.179 -6.864 -12.171 1.00 0.00 C HETATM 48 NZ CLG A 4 -2.605 -5.821 -13.145 1.00 0.00 N HETATM 49 CH CLG A 4 -1.709 -5.109 -13.772 1.00 0.00 C HETATM 50 OI CLG A 4 -0.521 -5.279 -13.579 1.00 0.00 O HETATM 51 CI CLG A 4 -2.210 -4.053 -14.758 1.00 0.00 C HETATM 52 NJ CLG A 4 -1.071 -3.564 -15.585 1.00 0.00 N HETATM 53 CK CLG A 4 -0.996 -2.302 -15.911 1.00 0.00 C HETATM 54 OL CLG A 4 -1.842 -1.507 -15.552 1.00 0.00 O HETATM 55 C CLG A 4 -6.870 -8.351 -11.126 1.00 0.00 C HETATM 56 O CLG A 4 -7.486 -8.305 -12.173 1.00 0.00 O HETATM 57 CL CLG A 4 0.198 -1.861 -16.762 1.00 0.00 C HETATM 58 OM CLG A 4 0.108 -0.466 -17.012 1.00 0.00 O HETATM 59 NM CLG A 4 1.206 -0.033 -17.802 1.00 0.00 N HETATM 0 HZ CLG A 4 -3.597 -5.663 -13.322 1.00 0.00 H new HETATM 0 HNJ CLG A 4 -0.350 -4.215 -15.896 1.00 0.00 H new HETATM 0 HL2 CLG A 4 1.131 -2.090 -16.247 1.00 0.00 H new HETATM 0 HL1 CLG A 4 0.211 -2.410 -17.703 1.00 0.00 H new HETATM 0 HI2 CLG A 4 -2.983 -4.477 -15.399 1.00 0.00 H new HETATM 0 HI1 CLG A 4 -2.664 -3.222 -14.218 1.00 0.00 H new HETATM 0 HG3 CLG A 4 -3.770 -8.057 -13.627 1.00 0.00 H new HETATM 0 HG2 CLG A 4 -5.181 -7.300 -12.917 1.00 0.00 H new HETATM 0 HE3 CLG A 4 -1.542 -6.442 -11.394 1.00 0.00 H new HETATM 0 HE2 CLG A 4 -1.605 -7.651 -12.661 1.00 0.00 H new HETATM 0 HD3 CLG A 4 -4.018 -6.620 -11.059 1.00 0.00 H new HETATM 0 HD2 CLG A 4 -3.266 -8.189 -10.852 1.00 0.00 H new HETATM 0 HB3 CLG A 4 -4.062 -10.059 -12.210 1.00 0.00 H new HETATM 0 HB2 CLG A 4 -5.552 -9.737 -13.073 1.00 0.00 H new HETATM 0 HA CLG A 4 -5.012 -8.784 -10.196 1.00 0.00 H new HETATM 0 H CLG A 4 -5.788 -11.399 -11.259 1.00 0.00 H new ATOM 76 N ILE A 5 -7.241 -7.648 -10.091 1.00 0.00 N ATOM 77 CA ILE A 5 -8.440 -6.767 -10.179 1.00 0.00 C ATOM 78 C ILE A 5 -8.029 -5.299 -10.029 1.00 0.00 C ATOM 79 O ILE A 5 -7.706 -4.842 -8.952 1.00 0.00 O ATOM 80 CB ILE A 5 -9.332 -7.196 -9.014 1.00 0.00 C ATOM 81 CG1 ILE A 5 -9.723 -8.665 -9.187 1.00 0.00 C ATOM 82 CG2 ILE A 5 -10.596 -6.333 -8.994 1.00 0.00 C ATOM 83 CD1 ILE A 5 -10.097 -9.257 -7.827 1.00 0.00 C ATOM 0 H ILE A 5 -6.766 -7.646 -9.188 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.950 -6.857 -11.138 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.791 -7.070 -8.076 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -10.563 -8.750 -9.876 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.895 -9.224 -9.624 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.232 -6.639 -8.163 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.320 -5.286 -8.873 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.138 -6.459 -9.931 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.376 -10.304 -7.950 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.244 -9.185 -7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -10.938 -8.704 -7.409 1.00 0.00 H new ATOM 95 N ILE A 6 -8.040 -4.559 -11.104 1.00 0.00 N ATOM 96 CA ILE A 6 -7.648 -3.122 -11.023 1.00 0.00 C ATOM 97 C ILE A 6 -8.784 -2.298 -10.408 1.00 0.00 C ATOM 98 O ILE A 6 -9.747 -1.962 -11.067 1.00 0.00 O ATOM 99 CB ILE A 6 -7.401 -2.696 -12.470 1.00 0.00 C ATOM 100 CG1 ILE A 6 -6.332 -3.599 -13.089 1.00 0.00 C ATOM 101 CG2 ILE A 6 -6.921 -1.244 -12.501 1.00 0.00 C ATOM 102 CD1 ILE A 6 -6.663 -3.848 -14.561 1.00 0.00 C ATOM 0 H ILE A 6 -8.303 -4.886 -12.034 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.769 -2.969 -10.397 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.327 -2.784 -13.038 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.351 -3.132 -13.000 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.285 -4.546 -12.551 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.745 -0.941 -13.533 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.681 -0.600 -12.058 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.995 -1.155 -11.934 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.901 -4.491 -15.001 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.636 -4.333 -14.638 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.688 -2.898 -15.094 1.00 0.00 H new ATOM 114 N ARG A 7 -8.677 -1.972 -9.148 1.00 0.00 N ATOM 115 CA ARG A 7 -9.750 -1.169 -8.492 1.00 0.00 C ATOM 116 C ARG A 7 -9.190 0.174 -8.018 1.00 0.00 C ATOM 117 O ARG A 7 -8.139 0.240 -7.412 1.00 0.00 O ATOM 118 CB ARG A 7 -10.202 -2.013 -7.300 1.00 0.00 C ATOM 119 CG ARG A 7 -11.703 -1.820 -7.077 1.00 0.00 C ATOM 120 CD ARG A 7 -12.019 -1.947 -5.584 1.00 0.00 C ATOM 121 NE ARG A 7 -12.478 -3.352 -5.408 1.00 0.00 N ATOM 122 CZ ARG A 7 -13.754 -3.628 -5.414 1.00 0.00 C ATOM 123 NH1 ARG A 7 -14.382 -3.786 -6.548 1.00 0.00 N ATOM 124 NH2 ARG A 7 -14.401 -3.746 -4.287 1.00 0.00 N ATOM 0 H ARG A 7 -7.895 -2.226 -8.545 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.574 -0.947 -9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.983 -3.065 -7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.651 -1.723 -6.406 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -12.013 -0.841 -7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -12.264 -2.564 -7.643 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.139 -1.740 -4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -12.790 -1.239 -5.282 1.00 0.00 H new ATOM 0 HE ARG A 7 -11.795 -4.099 -5.283 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -13.876 -3.694 -7.429 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -15.379 -4.002 -6.553 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -13.910 -3.623 -3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -15.398 -3.962 -4.291 1.00 0.00 H new ATOM 138 N TYR A 8 -9.882 1.246 -8.290 1.00 0.00 N ATOM 139 CA TYR A 8 -9.388 2.584 -7.855 1.00 0.00 C ATOM 140 C TYR A 8 -10.564 3.477 -7.449 1.00 0.00 C ATOM 141 O TYR A 8 -11.693 3.036 -7.374 1.00 0.00 O ATOM 142 CB TYR A 8 -8.676 3.160 -9.079 1.00 0.00 C ATOM 143 CG TYR A 8 -9.648 3.253 -10.231 1.00 0.00 C ATOM 144 CD1 TYR A 8 -9.988 2.103 -10.954 1.00 0.00 C ATOM 145 CD2 TYR A 8 -10.210 4.488 -10.574 1.00 0.00 C ATOM 146 CE1 TYR A 8 -10.890 2.189 -12.022 1.00 0.00 C ATOM 147 CE2 TYR A 8 -11.112 4.574 -11.642 1.00 0.00 C ATOM 148 CZ TYR A 8 -11.451 3.425 -12.365 1.00 0.00 C ATOM 149 OH TYR A 8 -12.341 3.510 -13.418 1.00 0.00 O ATOM 0 H TYR A 8 -10.768 1.254 -8.795 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.727 2.519 -6.991 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.274 4.147 -8.848 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -7.831 2.528 -9.352 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.555 1.150 -10.688 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.948 5.374 -10.015 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.153 1.303 -12.580 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.546 5.527 -11.907 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.637 4.438 -13.522 1.00 0.00 H new ATOM 159 N PHE A 9 -10.306 4.729 -7.186 1.00 0.00 N ATOM 160 CA PHE A 9 -11.409 5.650 -6.785 1.00 0.00 C ATOM 161 C PHE A 9 -11.111 7.072 -7.268 1.00 0.00 C ATOM 162 O PHE A 9 -10.258 7.287 -8.106 1.00 0.00 O ATOM 163 CB PHE A 9 -11.433 5.596 -5.257 1.00 0.00 C ATOM 164 CG PHE A 9 -11.459 4.156 -4.804 1.00 0.00 C ATOM 165 CD1 PHE A 9 -12.618 3.390 -4.973 1.00 0.00 C ATOM 166 CD2 PHE A 9 -10.323 3.587 -4.216 1.00 0.00 C ATOM 167 CE1 PHE A 9 -12.642 2.054 -4.553 1.00 0.00 C ATOM 168 CE2 PHE A 9 -10.346 2.252 -3.796 1.00 0.00 C ATOM 169 CZ PHE A 9 -11.506 1.485 -3.964 1.00 0.00 C ATOM 0 H PHE A 9 -9.380 5.154 -7.231 1.00 0.00 H new ATOM 0 HA PHE A 9 -12.367 5.362 -7.218 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.556 6.100 -4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -12.308 6.123 -4.878 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -13.494 3.829 -5.427 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.429 4.178 -4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -13.536 1.463 -4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.469 1.813 -3.342 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.524 0.455 -3.639 1.00 0.00 H new ATOM 179 N TYR A 10 -11.809 8.044 -6.748 1.00 0.00 N ATOM 180 CA TYR A 10 -11.565 9.450 -7.178 1.00 0.00 C ATOM 181 C TYR A 10 -11.693 10.400 -5.983 1.00 0.00 C ATOM 182 O TYR A 10 -12.769 10.617 -5.463 1.00 0.00 O ATOM 183 CB TYR A 10 -12.652 9.742 -8.213 1.00 0.00 C ATOM 184 CG TYR A 10 -12.267 10.961 -9.016 1.00 0.00 C ATOM 185 CD1 TYR A 10 -10.965 11.090 -9.513 1.00 0.00 C ATOM 186 CD2 TYR A 10 -13.214 11.963 -9.266 1.00 0.00 C ATOM 187 CE1 TYR A 10 -10.608 12.221 -10.257 1.00 0.00 C ATOM 188 CE2 TYR A 10 -12.858 13.092 -10.011 1.00 0.00 C ATOM 189 CZ TYR A 10 -11.555 13.223 -10.507 1.00 0.00 C ATOM 190 OH TYR A 10 -11.204 14.337 -11.242 1.00 0.00 O ATOM 0 H TYR A 10 -12.538 7.926 -6.044 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.564 9.588 -7.587 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -12.781 8.884 -8.873 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.608 9.908 -7.716 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.235 10.317 -9.323 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.219 11.864 -8.883 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.603 12.321 -10.638 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.589 13.863 -10.204 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.978 14.933 -11.323 1.00 0.00 H new ATOM 200 N ASN A 11 -10.603 10.968 -5.546 1.00 0.00 N ATOM 201 CA ASN A 11 -10.663 11.903 -4.386 1.00 0.00 C ATOM 202 C ASN A 11 -10.663 13.354 -4.877 1.00 0.00 C ATOM 203 O ASN A 11 -9.646 14.018 -4.882 1.00 0.00 O ATOM 204 CB ASN A 11 -9.399 11.611 -3.576 1.00 0.00 C ATOM 205 CG ASN A 11 -9.654 11.922 -2.100 1.00 0.00 C ATOM 206 OD1 ASN A 11 -10.638 11.486 -1.538 1.00 0.00 O ATOM 207 ND2 ASN A 11 -8.804 12.665 -1.445 1.00 0.00 N ATOM 0 H ASN A 11 -9.674 10.826 -5.941 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.567 11.768 -3.793 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.112 10.566 -3.694 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.570 12.213 -3.947 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.966 12.879 -0.461 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.977 13.031 -1.917 1.00 0.00 H new ATOM 214 N ALA A 12 -11.798 13.850 -5.290 1.00 0.00 N ATOM 215 CA ALA A 12 -11.862 15.256 -5.781 1.00 0.00 C ATOM 216 C ALA A 12 -11.508 16.228 -4.651 1.00 0.00 C ATOM 217 O ALA A 12 -11.023 17.316 -4.885 1.00 0.00 O ATOM 218 CB ALA A 12 -13.312 15.454 -6.224 1.00 0.00 C ATOM 0 H ALA A 12 -12.683 13.343 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.158 15.443 -6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.442 16.469 -6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.552 14.741 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.977 15.294 -5.375 1.00 0.00 H new ATOM 224 N LYS A 13 -11.741 15.840 -3.427 1.00 0.00 N ATOM 225 CA LYS A 13 -11.413 16.741 -2.286 1.00 0.00 C ATOM 226 C LYS A 13 -9.984 17.254 -2.442 1.00 0.00 C ATOM 227 O LYS A 13 -9.755 18.352 -2.909 1.00 0.00 O ATOM 228 CB LYS A 13 -11.539 15.867 -1.037 1.00 0.00 C ATOM 229 CG LYS A 13 -12.760 16.307 -0.227 1.00 0.00 C ATOM 230 CD LYS A 13 -12.302 16.887 1.112 1.00 0.00 C ATOM 231 CE LYS A 13 -12.367 18.415 1.055 1.00 0.00 C ATOM 232 NZ LYS A 13 -11.266 18.879 1.945 1.00 0.00 N ATOM 0 H LYS A 13 -12.144 14.939 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.069 17.610 -2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.637 14.819 -1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.638 15.950 -0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.329 17.052 -0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.424 15.459 -0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.936 16.515 1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.285 16.564 1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.231 18.778 0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.334 18.782 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.245 19.919 1.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.426 18.523 2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.357 18.519 1.589 1.00 0.00 H new ATOM 246 N ASP A 14 -9.019 16.460 -2.073 1.00 0.00 N ATOM 247 CA ASP A 14 -7.606 16.898 -2.223 1.00 0.00 C ATOM 248 C ASP A 14 -7.214 16.856 -3.701 1.00 0.00 C ATOM 249 O ASP A 14 -6.118 17.222 -4.075 1.00 0.00 O ATOM 250 CB ASP A 14 -6.789 15.886 -1.418 1.00 0.00 C ATOM 251 CG ASP A 14 -6.051 16.608 -0.288 1.00 0.00 C ATOM 252 OD1 ASP A 14 -5.386 17.589 -0.574 1.00 0.00 O ATOM 253 OD2 ASP A 14 -6.167 16.167 0.844 1.00 0.00 O ATOM 0 H ASP A 14 -9.148 15.530 -1.675 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.440 17.917 -1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.445 15.119 -1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.075 15.380 -2.068 1.00 0.00 H new ATOM 258 N GLY A 15 -8.107 16.410 -4.549 1.00 0.00 N ATOM 259 CA GLY A 15 -7.785 16.344 -6.002 1.00 0.00 C ATOM 260 C GLY A 15 -6.619 15.379 -6.226 1.00 0.00 C ATOM 261 O GLY A 15 -5.605 15.737 -6.791 1.00 0.00 O ATOM 0 H GLY A 15 -9.042 16.090 -4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.658 16.012 -6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.526 17.336 -6.373 1.00 0.00 H new ATOM 265 N LEU A 16 -6.755 14.159 -5.785 1.00 0.00 N ATOM 266 CA LEU A 16 -5.653 13.171 -5.972 1.00 0.00 C ATOM 267 C LEU A 16 -6.227 11.761 -6.129 1.00 0.00 C ATOM 268 O LEU A 16 -6.254 10.983 -5.196 1.00 0.00 O ATOM 269 CB LEU A 16 -4.813 13.269 -4.697 1.00 0.00 C ATOM 270 CG LEU A 16 -3.679 12.245 -4.753 1.00 0.00 C ATOM 271 CD1 LEU A 16 -2.446 12.883 -5.396 1.00 0.00 C ATOM 272 CD2 LEU A 16 -3.333 11.790 -3.333 1.00 0.00 C ATOM 0 H LEU A 16 -7.581 13.803 -5.303 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.063 13.375 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.405 14.274 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.438 13.088 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.995 11.386 -5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.638 12.153 -5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.691 13.209 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.130 13.742 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.525 11.060 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.017 12.650 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.210 11.336 -2.873 1.00 0.00 H new HETATM 284 N ABA A 17 -6.685 11.425 -7.304 1.00 0.00 N HETATM 285 CA ABA A 17 -7.257 10.065 -7.521 1.00 0.00 C HETATM 286 C ABA A 17 -6.293 8.997 -6.997 1.00 0.00 C HETATM 287 O ABA A 17 -5.100 9.211 -6.910 1.00 0.00 O HETATM 288 CB ABA A 17 -7.422 9.942 -9.036 1.00 0.00 C HETATM 289 CG ABA A 17 -8.099 8.611 -9.369 1.00 0.00 C HETATM 0 HN2 ABA A 17 -7.206 12.251 -7.599 1.00 0.00 H new HETATM 0 HG3 ABA A 17 -9.079 8.572 -8.893 1.00 0.00 H new HETATM 0 HG2 ABA A 17 -7.485 7.789 -9.003 1.00 0.00 H new HETATM 0 HG1 ABA A 17 -8.217 8.523 -10.449 1.00 0.00 H new HETATM 0 HB3 ABA A 17 -6.449 10.000 -9.524 1.00 0.00 H new HETATM 0 HB2 ABA A 17 -8.019 10.771 -9.416 1.00 0.00 H new HETATM 0 HA ABA A 17 -8.202 9.925 -6.996 1.00 0.00 H new ATOM 297 N GLN A 18 -6.801 7.846 -6.647 1.00 0.00 N ATOM 298 CA GLN A 18 -5.914 6.765 -6.130 1.00 0.00 C ATOM 299 C GLN A 18 -6.253 5.434 -6.806 1.00 0.00 C ATOM 300 O GLN A 18 -7.405 5.114 -7.025 1.00 0.00 O ATOM 301 CB GLN A 18 -6.207 6.695 -4.631 1.00 0.00 C ATOM 302 CG GLN A 18 -4.989 7.189 -3.848 1.00 0.00 C ATOM 303 CD GLN A 18 -5.212 6.952 -2.354 1.00 0.00 C ATOM 304 OE1 GLN A 18 -6.002 7.634 -1.730 1.00 0.00 O ATOM 305 NE2 GLN A 18 -4.546 6.007 -1.748 1.00 0.00 N ATOM 0 H GLN A 18 -7.792 7.608 -6.697 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.861 6.964 -6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.078 7.305 -4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.446 5.671 -4.344 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.093 6.665 -4.180 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.827 8.250 -4.038 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.883 5.434 -2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.688 5.841 -0.752 1.00 0.00 H new ATOM 314 N THR A 19 -5.260 4.656 -7.138 1.00 0.00 N ATOM 315 CA THR A 19 -5.528 3.347 -7.801 1.00 0.00 C ATOM 316 C THR A 19 -4.930 2.204 -6.976 1.00 0.00 C ATOM 317 O THR A 19 -3.759 1.896 -7.082 1.00 0.00 O ATOM 318 CB THR A 19 -4.839 3.443 -9.163 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.495 4.424 -9.955 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.905 2.087 -9.868 1.00 0.00 C ATOM 0 H THR A 19 -4.275 4.869 -6.979 1.00 0.00 H new ATOM 0 HA THR A 19 -6.595 3.144 -7.898 1.00 0.00 H new ATOM 0 HB THR A 19 -3.796 3.726 -9.024 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.054 4.488 -10.828 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.414 2.157 -10.838 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.401 1.336 -9.260 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.947 1.801 -10.009 1.00 0.00 H new ATOM 328 N PHE A 20 -5.725 1.573 -6.156 1.00 0.00 N ATOM 329 CA PHE A 20 -5.202 0.450 -5.326 1.00 0.00 C ATOM 330 C PHE A 20 -5.604 -0.894 -5.941 1.00 0.00 C ATOM 331 O PHE A 20 -6.772 -1.199 -6.077 1.00 0.00 O ATOM 332 CB PHE A 20 -5.857 0.631 -3.956 1.00 0.00 C ATOM 333 CG PHE A 20 -5.662 -0.620 -3.134 1.00 0.00 C ATOM 334 CD1 PHE A 20 -4.424 -0.874 -2.529 1.00 0.00 C ATOM 335 CD2 PHE A 20 -6.717 -1.527 -2.977 1.00 0.00 C ATOM 336 CE1 PHE A 20 -4.243 -2.035 -1.768 1.00 0.00 C ATOM 337 CE2 PHE A 20 -6.535 -2.687 -2.214 1.00 0.00 C ATOM 338 CZ PHE A 20 -5.299 -2.941 -1.610 1.00 0.00 C ATOM 0 H PHE A 20 -6.714 1.786 -6.025 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.114 0.456 -5.261 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.420 1.488 -3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.920 0.839 -4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.610 -0.175 -2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.671 -1.332 -3.444 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.289 -2.232 -1.303 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.349 -3.386 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.159 -3.836 -1.022 1.00 0.00 H new ATOM 348 N VAL A 21 -4.645 -1.697 -6.313 1.00 0.00 N ATOM 349 CA VAL A 21 -4.974 -3.020 -6.918 1.00 0.00 C ATOM 350 C VAL A 21 -4.566 -4.152 -5.973 1.00 0.00 C ATOM 351 O VAL A 21 -3.872 -3.940 -4.998 1.00 0.00 O ATOM 352 CB VAL A 21 -4.158 -3.078 -8.209 1.00 0.00 C ATOM 353 CG1 VAL A 21 -4.534 -4.335 -8.995 1.00 0.00 C ATOM 354 CG2 VAL A 21 -4.459 -1.839 -9.057 1.00 0.00 C ATOM 0 H VAL A 21 -3.649 -1.495 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.042 -3.134 -7.105 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.096 -3.105 -7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.952 -4.376 -9.916 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.322 -5.218 -8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.596 -4.308 -9.238 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.878 -1.879 -9.978 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.521 -1.813 -9.299 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.192 -0.942 -8.498 1.00 0.00 H new ATOM 364 N TYR A 22 -4.988 -5.353 -6.254 1.00 0.00 N ATOM 365 CA TYR A 22 -4.624 -6.498 -5.371 1.00 0.00 C ATOM 366 C TYR A 22 -4.304 -7.736 -6.215 1.00 0.00 C ATOM 367 O TYR A 22 -5.163 -8.293 -6.868 1.00 0.00 O ATOM 368 CB TYR A 22 -5.863 -6.744 -4.509 1.00 0.00 C ATOM 369 CG TYR A 22 -5.675 -8.008 -3.706 1.00 0.00 C ATOM 370 CD1 TYR A 22 -4.416 -8.325 -3.182 1.00 0.00 C ATOM 371 CD2 TYR A 22 -6.761 -8.863 -3.483 1.00 0.00 C ATOM 372 CE1 TYR A 22 -4.243 -9.497 -2.437 1.00 0.00 C ATOM 373 CE2 TYR A 22 -6.588 -10.036 -2.738 1.00 0.00 C ATOM 374 CZ TYR A 22 -5.328 -10.353 -2.215 1.00 0.00 C ATOM 375 OH TYR A 22 -5.157 -11.509 -1.480 1.00 0.00 O ATOM 0 H TYR A 22 -5.570 -5.592 -7.057 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.742 -6.288 -4.766 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.029 -5.898 -3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.747 -6.830 -5.141 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.578 -7.665 -3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.733 -8.618 -3.886 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.272 -9.741 -2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.426 -10.696 -2.567 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.010 -11.988 -1.420 1.00 0.00 H new ATOM 385 N GLY A 23 -3.072 -8.168 -6.207 1.00 0.00 N ATOM 386 CA GLY A 23 -2.699 -9.367 -7.009 1.00 0.00 C ATOM 387 C GLY A 23 -2.541 -10.574 -6.082 1.00 0.00 C ATOM 388 O GLY A 23 -2.938 -10.543 -4.934 1.00 0.00 O ATOM 0 H GLY A 23 -2.309 -7.743 -5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.464 -9.569 -7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.768 -9.183 -7.546 1.00 0.00 H new ATOM 392 N GLY A 24 -1.966 -11.639 -6.571 1.00 0.00 N ATOM 393 CA GLY A 24 -1.785 -12.846 -5.717 1.00 0.00 C ATOM 394 C GLY A 24 -0.315 -13.268 -5.732 1.00 0.00 C ATOM 395 O GLY A 24 0.252 -13.618 -4.715 1.00 0.00 O ATOM 0 H GLY A 24 -1.614 -11.725 -7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.102 -12.633 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.411 -13.660 -6.082 1.00 0.00 H new ATOM 399 N CYS A 25 0.309 -13.239 -6.878 1.00 0.00 N ATOM 400 CA CYS A 25 1.743 -13.640 -6.957 1.00 0.00 C ATOM 401 C CYS A 25 2.424 -12.937 -8.135 1.00 0.00 C ATOM 402 O CYS A 25 1.826 -12.739 -9.174 1.00 0.00 O ATOM 403 CB CYS A 25 1.720 -15.153 -7.175 1.00 0.00 C ATOM 404 SG CYS A 25 0.671 -15.542 -8.597 1.00 0.00 S ATOM 0 H CYS A 25 -0.112 -12.955 -7.763 1.00 0.00 H new ATOM 0 HA CYS A 25 2.299 -13.367 -6.060 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.732 -15.522 -7.344 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.343 -15.654 -6.283 1.00 0.00 H new HETATM 409 N NH2 A 26 3.664 -12.549 -8.016 1.00 0.00 N TER 412 NH2 A 26 HETATM 413 CA MPT B 1 8.408 -9.283 1.084 1.00 0.00 C HETATM 414 C MPT B 1 7.183 -10.191 1.239 1.00 0.00 C HETATM 415 O MPT B 1 6.251 -9.877 1.952 1.00 0.00 O HETATM 416 CB MPT B 1 8.299 -8.091 2.031 1.00 0.00 C HETATM 417 SG MPT B 1 7.821 -6.619 1.094 1.00 0.00 S HETATM 0 HB2 MPT B 1 7.562 -8.296 2.808 1.00 0.00 H new HETATM 0 HB1 MPT B 1 9.252 -7.923 2.532 1.00 0.00 H new HETATM 0 HA2 MPT B 1 9.317 -9.845 1.298 1.00 0.00 H new HETATM 0 HA1 MPT B 1 8.484 -8.934 0.054 1.00 0.00 H new ATOM 422 N LYS B 2 7.178 -11.315 0.575 1.00 0.00 N ATOM 423 CA LYS B 2 6.016 -12.242 0.684 1.00 0.00 C ATOM 424 C LYS B 2 4.705 -11.455 0.605 1.00 0.00 C ATOM 425 O LYS B 2 3.768 -11.711 1.334 1.00 0.00 O ATOM 426 CB LYS B 2 6.164 -12.904 2.054 1.00 0.00 C ATOM 427 CG LYS B 2 5.456 -14.260 2.049 1.00 0.00 C ATOM 428 CD LYS B 2 5.382 -14.802 3.478 1.00 0.00 C ATOM 429 CE LYS B 2 6.726 -15.429 3.857 1.00 0.00 C ATOM 430 NZ LYS B 2 6.628 -15.693 5.319 1.00 0.00 N ATOM 0 H LYS B 2 7.929 -11.631 -0.039 1.00 0.00 H new ATOM 0 HA LYS B 2 5.995 -12.976 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS B 2 7.219 -13.035 2.294 1.00 0.00 H new ATOM 0 HB3 LYS B 2 5.739 -12.263 2.826 1.00 0.00 H new ATOM 0 HG2 LYS B 2 4.453 -14.157 1.635 1.00 0.00 H new ATOM 0 HG3 LYS B 2 5.994 -14.961 1.410 1.00 0.00 H new ATOM 0 HD2 LYS B 2 5.136 -13.998 4.171 1.00 0.00 H new ATOM 0 HD3 LYS B 2 4.588 -15.544 3.556 1.00 0.00 H new ATOM 0 HE2 LYS B 2 6.903 -16.349 3.301 1.00 0.00 H new ATOM 0 HE3 LYS B 2 7.553 -14.756 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 7.513 -16.124 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 6.466 -14.798 5.823 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 5.836 -16.342 5.502 1.00 0.00 H new ATOM 444 N ALA B 3 4.636 -10.501 -0.278 1.00 0.00 N ATOM 445 CA ALA B 3 3.389 -9.694 -0.413 1.00 0.00 C ATOM 446 C ALA B 3 2.691 -10.018 -1.736 1.00 0.00 C ATOM 447 O ALA B 3 3.013 -10.983 -2.399 1.00 0.00 O ATOM 448 CB ALA B 3 3.853 -8.238 -0.392 1.00 0.00 C ATOM 0 H ALA B 3 5.390 -10.243 -0.915 1.00 0.00 H new ATOM 0 HA ALA B 3 2.674 -9.903 0.382 1.00 0.00 H new ATOM 0 HB1 ALA B 3 2.990 -7.580 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA B 3 4.364 -8.033 0.549 1.00 0.00 H new ATOM 0 HB3 ALA B 3 4.537 -8.062 -1.222 1.00 0.00 H new ATOM 454 N ARG B 4 1.737 -9.216 -2.126 1.00 0.00 N ATOM 455 CA ARG B 4 1.021 -9.477 -3.408 1.00 0.00 C ATOM 456 C ARG B 4 -0.061 -8.419 -3.633 1.00 0.00 C ATOM 457 O ARG B 4 -1.192 -8.731 -3.952 1.00 0.00 O ATOM 458 CB ARG B 4 0.395 -10.861 -3.238 1.00 0.00 C ATOM 459 CG ARG B 4 -0.381 -10.914 -1.921 1.00 0.00 C ATOM 460 CD ARG B 4 -0.967 -12.316 -1.730 1.00 0.00 C ATOM 461 NE ARG B 4 -0.300 -12.846 -0.508 1.00 0.00 N ATOM 462 CZ ARG B 4 -0.680 -12.437 0.670 1.00 0.00 C ATOM 463 NH1 ARG B 4 -1.951 -12.307 0.938 1.00 0.00 N ATOM 464 NH2 ARG B 4 0.211 -12.157 1.582 1.00 0.00 N ATOM 0 H ARG B 4 1.423 -8.392 -1.613 1.00 0.00 H new ATOM 0 HA ARG B 4 1.687 -9.436 -4.270 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -0.271 -11.075 -4.074 1.00 0.00 H new ATOM 0 HB3 ARG B 4 1.171 -11.626 -3.246 1.00 0.00 H new ATOM 0 HG2 ARG B 4 0.278 -10.667 -1.088 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -1.180 -10.172 -1.927 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -2.049 -12.278 -1.605 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -0.768 -12.949 -2.595 1.00 0.00 H new ATOM 0 HE ARG B 4 0.453 -13.528 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -2.647 -12.526 0.225 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -2.248 -11.987 1.860 1.00 0.00 H new ATOM 0 HH21 ARG B 4 1.204 -12.258 1.373 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -0.086 -11.837 2.504 1.00 0.00 H new ATOM 478 N ILE B 5 0.276 -7.169 -3.469 1.00 0.00 N ATOM 479 CA ILE B 5 -0.733 -6.090 -3.674 1.00 0.00 C ATOM 480 C ILE B 5 -0.116 -4.932 -4.464 1.00 0.00 C ATOM 481 O ILE B 5 0.586 -4.103 -3.920 1.00 0.00 O ATOM 482 CB ILE B 5 -1.116 -5.635 -2.265 1.00 0.00 C ATOM 483 CG1 ILE B 5 -1.992 -6.703 -1.606 1.00 0.00 C ATOM 484 CG2 ILE B 5 -1.893 -4.320 -2.347 1.00 0.00 C ATOM 485 CD1 ILE B 5 -1.734 -6.716 -0.098 1.00 0.00 C ATOM 0 H ILE B 5 1.206 -6.848 -3.202 1.00 0.00 H new ATOM 0 HA ILE B 5 -1.598 -6.435 -4.241 1.00 0.00 H new ATOM 0 HB ILE B 5 -0.213 -5.487 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE B 5 -3.044 -6.498 -1.804 1.00 0.00 H new ATOM 0 HG13 ILE B 5 -1.772 -7.682 -2.032 1.00 0.00 H new ATOM 0 HG21 ILE B 5 -2.166 -3.996 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE B 5 -1.271 -3.559 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE B 5 -2.796 -4.467 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE B 5 -2.358 -7.477 0.371 1.00 0.00 H new ATOM 0 HD12 ILE B 5 -0.684 -6.941 0.090 1.00 0.00 H new ATOM 0 HD13 ILE B 5 -1.976 -5.739 0.321 1.00 0.00 H new ATOM 497 N ILE B 6 -0.371 -4.871 -5.742 1.00 0.00 N ATOM 498 CA ILE B 6 0.203 -3.766 -6.564 1.00 0.00 C ATOM 499 C ILE B 6 -0.484 -2.442 -6.223 1.00 0.00 C ATOM 500 O ILE B 6 -1.673 -2.281 -6.415 1.00 0.00 O ATOM 501 CB ILE B 6 -0.081 -4.160 -8.013 1.00 0.00 C ATOM 502 CG1 ILE B 6 0.814 -5.339 -8.404 1.00 0.00 C ATOM 503 CG2 ILE B 6 0.211 -2.973 -8.932 1.00 0.00 C ATOM 504 CD1 ILE B 6 0.576 -5.696 -9.872 1.00 0.00 C ATOM 0 H ILE B 6 -0.951 -5.537 -6.253 1.00 0.00 H new ATOM 0 HA ILE B 6 1.269 -3.627 -6.382 1.00 0.00 H new ATOM 0 HB ILE B 6 -1.128 -4.447 -8.113 1.00 0.00 H new ATOM 0 HG12 ILE B 6 1.861 -5.082 -8.247 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.598 -6.199 -7.770 1.00 0.00 H new ATOM 0 HG21 ILE B 6 0.008 -3.254 -9.965 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.424 -2.132 -8.654 1.00 0.00 H new ATOM 0 HG23 ILE B 6 1.258 -2.685 -8.833 1.00 0.00 H new ATOM 0 HD11 ILE B 6 1.213 -6.535 -10.150 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.469 -5.971 -10.015 1.00 0.00 H new ATOM 0 HD13 ILE B 6 0.814 -4.836 -10.499 1.00 0.00 H new ATOM 516 N ARG B 7 0.255 -1.492 -5.721 1.00 0.00 N ATOM 517 CA ARG B 7 -0.356 -0.178 -5.369 1.00 0.00 C ATOM 518 C ARG B 7 -0.157 0.821 -6.514 1.00 0.00 C ATOM 519 O ARG B 7 0.955 1.119 -6.902 1.00 0.00 O ATOM 520 CB ARG B 7 0.391 0.284 -4.118 1.00 0.00 C ATOM 521 CG ARG B 7 -0.452 -0.021 -2.879 1.00 0.00 C ATOM 522 CD ARG B 7 -0.600 1.249 -2.036 1.00 0.00 C ATOM 523 NE ARG B 7 -1.978 1.736 -2.316 1.00 0.00 N ATOM 524 CZ ARG B 7 -2.825 1.900 -1.336 1.00 0.00 C ATOM 525 NH1 ARG B 7 -2.845 1.053 -0.344 1.00 0.00 N ATOM 526 NH2 ARG B 7 -3.649 2.911 -1.349 1.00 0.00 N ATOM 0 H ARG B 7 1.256 -1.568 -5.539 1.00 0.00 H new ATOM 0 HA ARG B 7 -1.430 -0.254 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG B 7 1.354 -0.222 -4.049 1.00 0.00 H new ATOM 0 HB3 ARG B 7 0.596 1.353 -4.178 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -1.434 -0.390 -3.176 1.00 0.00 H new ATOM 0 HG3 ARG B 7 0.019 -0.808 -2.290 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -0.464 1.037 -0.975 1.00 0.00 H new ATOM 0 HD3 ARG B 7 0.146 1.995 -2.311 1.00 0.00 H new ATOM 0 HE ARG B 7 -2.261 1.942 -3.274 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -2.199 0.263 -0.334 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -3.506 1.180 0.422 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -3.632 3.573 -2.125 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -4.311 3.039 -0.584 1.00 0.00 H new ATOM 540 N TYR B 8 -1.225 1.338 -7.054 1.00 0.00 N ATOM 541 CA TYR B 8 -1.095 2.317 -8.173 1.00 0.00 C ATOM 542 C TYR B 8 -1.586 3.696 -7.726 1.00 0.00 C ATOM 543 O TYR B 8 -2.234 3.835 -6.708 1.00 0.00 O ATOM 544 CB TYR B 8 -1.986 1.765 -9.286 1.00 0.00 C ATOM 545 CG TYR B 8 -1.144 0.980 -10.263 1.00 0.00 C ATOM 546 CD1 TYR B 8 -0.125 0.141 -9.794 1.00 0.00 C ATOM 547 CD2 TYR B 8 -1.382 1.088 -11.638 1.00 0.00 C ATOM 548 CE1 TYR B 8 0.656 -0.587 -10.699 1.00 0.00 C ATOM 549 CE2 TYR B 8 -0.601 0.360 -12.544 1.00 0.00 C ATOM 550 CZ TYR B 8 0.417 -0.477 -12.074 1.00 0.00 C ATOM 551 OH TYR B 8 1.187 -1.196 -12.966 1.00 0.00 O ATOM 0 H TYR B 8 -2.182 1.126 -6.771 1.00 0.00 H new ATOM 0 HA TYR B 8 -0.062 2.438 -8.500 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -2.761 1.126 -8.863 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -2.492 2.582 -9.800 1.00 0.00 H new ATOM 0 HD1 TYR B 8 0.058 0.056 -8.733 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -2.169 1.733 -12.000 1.00 0.00 H new ATOM 0 HE1 TYR B 8 1.442 -1.233 -10.337 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -0.784 0.445 -13.605 1.00 0.00 H new ATOM 0 HH TYR B 8 0.890 -1.007 -13.881 1.00 0.00 H new ATOM 561 N PHE B 9 -1.283 4.717 -8.479 1.00 0.00 N ATOM 562 CA PHE B 9 -1.733 6.086 -8.096 1.00 0.00 C ATOM 563 C PHE B 9 -1.961 6.940 -9.346 1.00 0.00 C ATOM 564 O PHE B 9 -1.162 6.942 -10.261 1.00 0.00 O ATOM 565 CB PHE B 9 -0.589 6.658 -7.257 1.00 0.00 C ATOM 566 CG PHE B 9 -1.095 6.983 -5.872 1.00 0.00 C ATOM 567 CD1 PHE B 9 -1.722 8.211 -5.626 1.00 0.00 C ATOM 568 CD2 PHE B 9 -0.938 6.057 -4.834 1.00 0.00 C ATOM 569 CE1 PHE B 9 -2.191 8.512 -4.342 1.00 0.00 C ATOM 570 CE2 PHE B 9 -1.408 6.358 -3.550 1.00 0.00 C ATOM 571 CZ PHE B 9 -2.034 7.586 -3.304 1.00 0.00 C ATOM 0 H PHE B 9 -0.743 4.663 -9.343 1.00 0.00 H new ATOM 0 HA PHE B 9 -2.675 6.072 -7.547 1.00 0.00 H new ATOM 0 HB2 PHE B 9 0.228 5.939 -7.198 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -0.190 7.555 -7.730 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -1.844 8.925 -6.427 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -0.454 5.110 -5.024 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -2.674 9.459 -4.152 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -1.288 5.643 -2.749 1.00 0.00 H new ATOM 0 HZ PHE B 9 -2.396 7.819 -2.313 1.00 0.00 H new ATOM 581 N TYR B 10 -3.046 7.664 -9.393 1.00 0.00 N ATOM 582 CA TYR B 10 -3.323 8.515 -10.584 1.00 0.00 C ATOM 583 C TYR B 10 -3.300 9.997 -10.194 1.00 0.00 C ATOM 584 O TYR B 10 -4.085 10.788 -10.677 1.00 0.00 O ATOM 585 CB TYR B 10 -4.722 8.106 -11.047 1.00 0.00 C ATOM 586 CG TYR B 10 -5.076 8.860 -12.305 1.00 0.00 C ATOM 587 CD1 TYR B 10 -4.196 8.856 -13.395 1.00 0.00 C ATOM 588 CD2 TYR B 10 -6.284 9.564 -12.384 1.00 0.00 C ATOM 589 CE1 TYR B 10 -4.524 9.555 -14.563 1.00 0.00 C ATOM 590 CE2 TYR B 10 -6.612 10.262 -13.551 1.00 0.00 C ATOM 591 CZ TYR B 10 -5.733 10.259 -14.641 1.00 0.00 C ATOM 592 OH TYR B 10 -6.057 10.948 -15.791 1.00 0.00 O ATOM 0 H TYR B 10 -3.752 7.703 -8.658 1.00 0.00 H new ATOM 0 HA TYR B 10 -2.578 8.381 -11.368 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -4.756 7.032 -11.232 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -5.452 8.318 -10.266 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -3.264 8.313 -13.334 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -6.963 9.568 -11.544 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -3.846 9.552 -15.403 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -7.544 10.804 -13.611 1.00 0.00 H new ATOM 0 HH TYR B 10 -6.929 11.380 -15.679 1.00 0.00 H new ATOM 602 N ASN B 11 -2.406 10.376 -9.322 1.00 0.00 N ATOM 603 CA ASN B 11 -2.334 11.805 -8.903 1.00 0.00 C ATOM 604 C ASN B 11 -2.045 12.697 -10.112 1.00 0.00 C ATOM 605 O ASN B 11 -2.370 12.364 -11.234 1.00 0.00 O ATOM 606 CB ASN B 11 -1.179 11.867 -7.901 1.00 0.00 C ATOM 607 CG ASN B 11 0.138 11.578 -8.623 1.00 0.00 C ATOM 608 OD1 ASN B 11 0.715 12.456 -9.232 1.00 0.00 O ATOM 609 ND2 ASN B 11 0.641 10.374 -8.581 1.00 0.00 N ATOM 0 H ASN B 11 -1.723 9.759 -8.882 1.00 0.00 H new ATOM 0 HA ASN B 11 -3.270 12.155 -8.468 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -1.141 12.851 -7.433 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -1.336 11.141 -7.103 1.00 0.00 H new ATOM 0 HD21 ASN B 11 1.519 10.171 -9.060 1.00 0.00 H new ATOM 0 HD22 ASN B 11 0.156 9.636 -8.069 1.00 0.00 H new ATOM 616 N ALA B 12 -1.437 13.831 -9.893 1.00 0.00 N ATOM 617 CA ALA B 12 -1.127 14.744 -11.031 1.00 0.00 C ATOM 618 C ALA B 12 -0.485 13.960 -12.178 1.00 0.00 C ATOM 619 O ALA B 12 0.448 13.207 -11.982 1.00 0.00 O ATOM 620 CB ALA B 12 -0.142 15.765 -10.461 1.00 0.00 C ATOM 0 H ALA B 12 -1.141 14.165 -8.976 1.00 0.00 H new ATOM 0 HA ALA B 12 -2.020 15.221 -11.434 1.00 0.00 H new ATOM 0 HB1 ALA B 12 0.137 16.476 -11.239 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -0.609 16.298 -9.633 1.00 0.00 H new ATOM 0 HB3 ALA B 12 0.750 15.250 -10.104 1.00 0.00 H new ATOM 626 N LYS B 13 -0.978 14.131 -13.374 1.00 0.00 N ATOM 627 CA LYS B 13 -0.396 13.395 -14.533 1.00 0.00 C ATOM 628 C LYS B 13 1.106 13.675 -14.637 1.00 0.00 C ATOM 629 O LYS B 13 1.842 12.945 -15.271 1.00 0.00 O ATOM 630 CB LYS B 13 -1.130 13.941 -15.758 1.00 0.00 C ATOM 631 CG LYS B 13 -2.637 13.764 -15.571 1.00 0.00 C ATOM 632 CD LYS B 13 -3.360 15.040 -16.006 1.00 0.00 C ATOM 633 CE LYS B 13 -3.997 15.707 -14.785 1.00 0.00 C ATOM 634 NZ LYS B 13 -4.314 17.094 -15.227 1.00 0.00 N ATOM 0 H LYS B 13 -1.758 14.748 -13.599 1.00 0.00 H new ATOM 0 HA LYS B 13 -0.511 12.315 -14.437 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -0.892 14.995 -15.898 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.800 13.418 -16.656 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -2.990 12.916 -16.158 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -2.861 13.545 -14.527 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -2.658 15.724 -16.482 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -4.125 14.803 -16.745 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.896 15.178 -14.470 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -3.314 15.710 -13.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -4.755 17.616 -14.443 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.438 17.575 -15.515 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.971 17.060 -16.033 1.00 0.00 H new ATOM 648 N ASP B 14 1.567 14.728 -14.018 1.00 0.00 N ATOM 649 CA ASP B 14 3.020 15.053 -14.080 1.00 0.00 C ATOM 650 C ASP B 14 3.849 13.872 -13.571 1.00 0.00 C ATOM 651 O ASP B 14 4.985 13.684 -13.959 1.00 0.00 O ATOM 652 CB ASP B 14 3.194 16.266 -13.165 1.00 0.00 C ATOM 653 CG ASP B 14 4.478 17.009 -13.540 1.00 0.00 C ATOM 654 OD1 ASP B 14 4.517 17.577 -14.619 1.00 0.00 O ATOM 655 OD2 ASP B 14 5.399 16.998 -12.741 1.00 0.00 O ATOM 0 H ASP B 14 1.000 15.377 -13.472 1.00 0.00 H new ATOM 0 HA ASP B 14 3.354 15.259 -15.097 1.00 0.00 H new ATOM 0 HB2 ASP B 14 2.336 16.931 -13.259 1.00 0.00 H new ATOM 0 HB3 ASP B 14 3.237 15.946 -12.124 1.00 0.00 H new ATOM 660 N GLY B 15 3.291 13.075 -12.701 1.00 0.00 N ATOM 661 CA GLY B 15 4.048 11.907 -12.166 1.00 0.00 C ATOM 662 C GLY B 15 3.721 10.663 -12.994 1.00 0.00 C ATOM 663 O GLY B 15 4.015 9.550 -12.603 1.00 0.00 O ATOM 0 H GLY B 15 2.344 13.182 -12.337 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.119 12.108 -12.200 1.00 0.00 H new ATOM 0 HA3 GLY B 15 3.788 11.740 -11.121 1.00 0.00 H new HETATM 667 N CLH B 16 3.117 10.840 -14.138 1.00 0.00 N HETATM 668 CA CLH B 16 2.773 9.666 -14.989 1.00 0.00 C HETATM 669 CB CLH B 16 4.102 9.212 -15.593 1.00 0.00 C HETATM 670 CG CLH B 16 3.903 8.871 -17.071 1.00 0.00 C HETATM 671 CD CLH B 16 3.613 7.375 -17.214 1.00 0.00 C HETATM 672 CE CLH B 16 2.271 7.181 -17.924 1.00 0.00 C HETATM 673 NZ CLH B 16 1.628 6.035 -17.223 1.00 0.00 N HETATM 674 CH CLH B 16 0.799 5.259 -17.866 1.00 0.00 C HETATM 675 OI CLH B 16 0.535 5.451 -19.036 1.00 0.00 O HETATM 676 CI CLH B 16 0.171 4.099 -17.090 1.00 0.00 C HETATM 677 NJ CLH B 16 0.749 2.811 -17.568 1.00 0.00 N HETATM 678 CK CLH B 16 1.516 2.108 -16.781 1.00 0.00 C HETATM 679 OL CLH B 16 1.816 2.423 -15.647 1.00 0.00 O HETATM 680 C CLH B 16 2.164 8.551 -14.134 1.00 0.00 C HETATM 681 O CLH B 16 2.545 7.402 -14.232 1.00 0.00 O HETATM 682 CL CLH B 16 1.957 0.950 -17.389 1.00 0.00 C HETATM 0 HZ CLH B 16 1.836 5.857 -16.240 1.00 0.00 H new HETATM 0 HNJ CLH B 16 0.545 2.479 -18.511 1.00 0.00 H new HETATM 0 HI2 CLH B 16 0.356 4.219 -16.023 1.00 0.00 H new HETATM 0 HI1 CLH B 16 -0.910 4.098 -17.228 1.00 0.00 H new HETATM 0 HG3 CLH B 16 3.078 9.453 -17.482 1.00 0.00 H new HETATM 0 HG2 CLH B 16 4.794 9.136 -17.640 1.00 0.00 H new HETATM 0 HE3 CLH B 16 1.656 8.079 -17.859 1.00 0.00 H new HETATM 0 HE2 CLH B 16 2.412 6.967 -18.983 1.00 0.00 H new HETATM 0 HD3 CLH B 16 4.409 6.892 -17.780 1.00 0.00 H new HETATM 0 HD2 CLH B 16 3.589 6.903 -16.232 1.00 0.00 H new HETATM 0 HB3 CLH B 16 4.849 9.999 -15.488 1.00 0.00 H new HETATM 0 HB2 CLH B 16 4.479 8.342 -15.056 1.00 0.00 H new HETATM 0 HA CLH B 16 2.039 9.914 -15.756 1.00 0.00 H new HETATM 698 N ABA B 17 1.219 8.882 -13.297 1.00 0.00 N HETATM 699 CA ABA B 17 0.586 7.841 -12.437 1.00 0.00 C HETATM 700 C ABA B 17 1.647 7.150 -11.575 1.00 0.00 C HETATM 701 O ABA B 17 2.438 6.364 -12.058 1.00 0.00 O HETATM 702 CB ABA B 17 -0.040 6.847 -13.416 1.00 0.00 C HETATM 703 CG ABA B 17 -1.045 5.965 -12.674 1.00 0.00 C HETATM 0 HG3 ABA B 17 -1.827 6.589 -12.241 1.00 0.00 H new HETATM 0 HG2 ABA B 17 -0.534 5.420 -11.880 1.00 0.00 H new HETATM 0 HG1 ABA B 17 -1.492 5.256 -13.371 1.00 0.00 H new HETATM 0 HB3 ABA B 17 0.735 6.230 -13.870 1.00 0.00 H new HETATM 0 HB2 ABA B 17 -0.537 7.382 -14.225 1.00 0.00 H new HETATM 0 HA ABA B 17 -0.152 8.262 -11.754 1.00 0.00 H new ATOM 711 N GLN B 18 1.669 7.437 -10.302 1.00 0.00 N ATOM 712 CA GLN B 18 2.679 6.798 -9.411 1.00 0.00 C ATOM 713 C GLN B 18 2.497 5.278 -9.408 1.00 0.00 C ATOM 714 O GLN B 18 1.454 4.767 -9.765 1.00 0.00 O ATOM 715 CB GLN B 18 2.399 7.372 -8.021 1.00 0.00 C ATOM 716 CG GLN B 18 3.674 8.006 -7.463 1.00 0.00 C ATOM 717 CD GLN B 18 3.389 8.594 -6.080 1.00 0.00 C ATOM 718 OE1 GLN B 18 3.687 9.743 -5.822 1.00 0.00 O ATOM 719 NE2 GLN B 18 2.821 7.847 -5.172 1.00 0.00 N ATOM 0 H GLN B 18 1.032 8.086 -9.841 1.00 0.00 H new ATOM 0 HA GLN B 18 3.700 6.995 -9.737 1.00 0.00 H new ATOM 0 HB2 GLN B 18 1.605 8.116 -8.077 1.00 0.00 H new ATOM 0 HB3 GLN B 18 2.051 6.583 -7.354 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.465 7.259 -7.396 1.00 0.00 H new ATOM 0 HG3 GLN B 18 4.029 8.787 -8.136 1.00 0.00 H new ATOM 0 HE21 GLN B 18 2.571 6.882 -5.389 1.00 0.00 H new ATOM 0 HE22 GLN B 18 2.627 8.228 -4.246 1.00 0.00 H new ATOM 728 N THR B 19 3.506 4.552 -9.010 1.00 0.00 N ATOM 729 CA THR B 19 3.390 3.065 -8.985 1.00 0.00 C ATOM 730 C THR B 19 4.199 2.491 -7.818 1.00 0.00 C ATOM 731 O THR B 19 5.153 3.087 -7.360 1.00 0.00 O ATOM 732 CB THR B 19 3.971 2.600 -10.321 1.00 0.00 C ATOM 733 OG1 THR B 19 3.711 3.580 -11.316 1.00 0.00 O ATOM 734 CG2 THR B 19 3.327 1.274 -10.727 1.00 0.00 C ATOM 0 H THR B 19 4.405 4.923 -8.701 1.00 0.00 H new ATOM 0 HA THR B 19 2.361 2.733 -8.851 1.00 0.00 H new ATOM 0 HB THR B 19 5.047 2.461 -10.220 1.00 0.00 H new ATOM 0 HG1 THR B 19 4.084 3.284 -12.172 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.742 0.944 -11.679 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.529 0.523 -9.964 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.250 1.408 -10.828 1.00 0.00 H new ATOM 742 N PHE B 20 3.825 1.338 -7.336 1.00 0.00 N ATOM 743 CA PHE B 20 4.573 0.727 -6.199 1.00 0.00 C ATOM 744 C PHE B 20 5.077 -0.666 -6.585 1.00 0.00 C ATOM 745 O PHE B 20 4.787 -1.168 -7.652 1.00 0.00 O ATOM 746 CB PHE B 20 3.558 0.633 -5.060 1.00 0.00 C ATOM 747 CG PHE B 20 3.537 1.934 -4.295 1.00 0.00 C ATOM 748 CD1 PHE B 20 2.928 3.064 -4.855 1.00 0.00 C ATOM 749 CD2 PHE B 20 4.124 2.011 -3.027 1.00 0.00 C ATOM 750 CE1 PHE B 20 2.909 4.271 -4.146 1.00 0.00 C ATOM 751 CE2 PHE B 20 4.105 3.218 -2.318 1.00 0.00 C ATOM 752 CZ PHE B 20 3.496 4.349 -2.877 1.00 0.00 C ATOM 0 H PHE B 20 3.035 0.792 -7.679 1.00 0.00 H new ATOM 0 HA PHE B 20 5.447 1.314 -5.918 1.00 0.00 H new ATOM 0 HB2 PHE B 20 2.567 0.418 -5.459 1.00 0.00 H new ATOM 0 HB3 PHE B 20 3.819 -0.189 -4.393 1.00 0.00 H new ATOM 0 HD1 PHE B 20 2.473 3.004 -5.833 1.00 0.00 H new ATOM 0 HD2 PHE B 20 4.592 1.139 -2.595 1.00 0.00 H new ATOM 0 HE1 PHE B 20 2.441 5.143 -4.578 1.00 0.00 H new ATOM 0 HE2 PHE B 20 4.560 3.277 -1.340 1.00 0.00 H new ATOM 0 HZ PHE B 20 3.479 5.280 -2.330 1.00 0.00 H new ATOM 762 N VAL B 21 5.830 -1.294 -5.723 1.00 0.00 N ATOM 763 CA VAL B 21 6.351 -2.654 -6.039 1.00 0.00 C ATOM 764 C VAL B 21 6.164 -3.584 -4.838 1.00 0.00 C ATOM 765 O VAL B 21 7.110 -3.947 -4.168 1.00 0.00 O ATOM 766 CB VAL B 21 7.837 -2.449 -6.334 1.00 0.00 C ATOM 767 CG1 VAL B 21 8.454 -3.772 -6.792 1.00 0.00 C ATOM 768 CG2 VAL B 21 7.997 -1.403 -7.440 1.00 0.00 C ATOM 0 H VAL B 21 6.107 -0.924 -4.814 1.00 0.00 H new ATOM 0 HA VAL B 21 5.829 -3.113 -6.879 1.00 0.00 H new ATOM 0 HB VAL B 21 8.342 -2.106 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL B 21 9.513 -3.626 -7.002 1.00 0.00 H new ATOM 0 HG12 VAL B 21 8.340 -4.518 -6.006 1.00 0.00 H new ATOM 0 HG13 VAL B 21 7.949 -4.116 -7.695 1.00 0.00 H new ATOM 0 HG21 VAL B 21 9.056 -1.256 -7.651 1.00 0.00 H new ATOM 0 HG22 VAL B 21 7.491 -1.747 -8.342 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.557 -0.460 -7.115 1.00 0.00 H new ATOM 778 N TYR B 22 4.949 -3.972 -4.563 1.00 0.00 N ATOM 779 CA TYR B 22 4.701 -4.880 -3.405 1.00 0.00 C ATOM 780 C TYR B 22 4.943 -6.335 -3.812 1.00 0.00 C ATOM 781 O TYR B 22 4.811 -7.243 -3.016 1.00 0.00 O ATOM 782 CB TYR B 22 3.232 -4.664 -3.040 1.00 0.00 C ATOM 783 CG TYR B 22 3.130 -4.237 -1.596 1.00 0.00 C ATOM 784 CD1 TYR B 22 3.683 -5.035 -0.589 1.00 0.00 C ATOM 785 CD2 TYR B 22 2.481 -3.041 -1.265 1.00 0.00 C ATOM 786 CE1 TYR B 22 3.587 -4.638 0.751 1.00 0.00 C ATOM 787 CE2 TYR B 22 2.386 -2.643 0.074 1.00 0.00 C ATOM 788 CZ TYR B 22 2.939 -3.442 1.081 1.00 0.00 C ATOM 789 OH TYR B 22 2.844 -3.052 2.401 1.00 0.00 O ATOM 0 H TYR B 22 4.118 -3.701 -5.088 1.00 0.00 H new ATOM 0 HA TYR B 22 5.365 -4.670 -2.567 1.00 0.00 H new ATOM 0 HB2 TYR B 22 2.793 -3.904 -3.687 1.00 0.00 H new ATOM 0 HB3 TYR B 22 2.668 -5.583 -3.199 1.00 0.00 H new ATOM 0 HD1 TYR B 22 4.184 -5.957 -0.845 1.00 0.00 H new ATOM 0 HD2 TYR B 22 2.054 -2.425 -2.043 1.00 0.00 H new ATOM 0 HE1 TYR B 22 4.013 -5.254 1.529 1.00 0.00 H new ATOM 0 HE2 TYR B 22 1.886 -1.720 0.329 1.00 0.00 H new ATOM 0 HH TYR B 22 2.366 -2.199 2.456 1.00 0.00 H new ATOM 799 N GLY B 23 5.296 -6.564 -5.047 1.00 0.00 N ATOM 800 CA GLY B 23 5.546 -7.961 -5.503 1.00 0.00 C ATOM 801 C GLY B 23 7.046 -8.164 -5.726 1.00 0.00 C ATOM 802 O GLY B 23 7.469 -9.141 -6.311 1.00 0.00 O ATOM 0 H GLY B 23 5.422 -5.845 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY B 23 5.179 -8.669 -4.760 1.00 0.00 H new ATOM 0 HA3 GLY B 23 5.000 -8.157 -6.426 1.00 0.00 H new ATOM 806 N GLY B 24 7.852 -7.248 -5.264 1.00 0.00 N ATOM 807 CA GLY B 24 9.325 -7.388 -5.450 1.00 0.00 C ATOM 808 C GLY B 24 10.020 -7.341 -4.089 1.00 0.00 C ATOM 809 O GLY B 24 10.534 -8.332 -3.609 1.00 0.00 O ATOM 0 H GLY B 24 7.555 -6.409 -4.766 1.00 0.00 H new ATOM 0 HA2 GLY B 24 9.551 -8.329 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY B 24 9.699 -6.588 -6.089 1.00 0.00 H new ATOM 813 N CYS B 25 10.041 -6.197 -3.461 1.00 0.00 N ATOM 814 CA CYS B 25 10.706 -6.090 -2.130 1.00 0.00 C ATOM 815 C CYS B 25 12.103 -6.714 -2.186 1.00 0.00 C ATOM 816 O CYS B 25 12.703 -6.806 -3.238 1.00 0.00 O ATOM 817 CB CYS B 25 9.806 -6.874 -1.174 1.00 0.00 C ATOM 818 SG CYS B 25 9.561 -5.919 0.344 1.00 0.00 S ATOM 0 H CYS B 25 9.627 -5.333 -3.811 1.00 0.00 H new ATOM 0 HA CYS B 25 10.833 -5.055 -1.813 1.00 0.00 H new ATOM 0 HB2 CYS B 25 8.845 -7.078 -1.647 1.00 0.00 H new ATOM 0 HB3 CYS B 25 10.258 -7.838 -0.941 1.00 0.00 H new HETATM 823 N NH2 B 26 12.653 -7.148 -1.085 1.00 0.00 N TER 826 NH2 B 26