USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=11 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 HN2 : A 17 ABA N : A 16 LEU 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 Set 1.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.179) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN :FLIP amide:sc= -1.61! C(o=-2.6!,f=-1.6!) USER MOD Single : A 19 THR OG1 : rot 172:sc= -0.0829 USER MOD Single : A 22 TYR OH : rot 180:sc= 0.0134 USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 ASN :FLIP amide:sc= -11! C(o=-13!,f=-11!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 19 THR OG1 : rot -130:sc= -2.3! USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 CA MPT A 1 -1.611 -11.759 -0.334 1.00 0.00 C HETATM 2 C MPT A 1 -2.141 -12.109 -1.731 1.00 0.00 C HETATM 3 O MPT A 1 -1.405 -12.552 -2.590 1.00 0.00 O HETATM 4 CB MPT A 1 -1.668 -12.985 0.573 1.00 0.00 C HETATM 5 SG MPT A 1 -1.832 -12.454 2.295 1.00 0.00 S HETATM 0 HB2 MPT A 1 -2.511 -13.618 0.295 1.00 0.00 H new HETATM 0 HB1 MPT A 1 -0.766 -13.584 0.450 1.00 0.00 H new HETATM 0 HA2 MPT A 1 -0.585 -11.398 -0.406 1.00 0.00 H new HETATM 0 HA1 MPT A 1 -2.203 -10.951 0.096 1.00 0.00 H new ATOM 10 N LYS A 2 -3.412 -11.921 -1.959 1.00 0.00 N ATOM 11 CA LYS A 2 -3.991 -12.245 -3.286 1.00 0.00 C ATOM 12 C LYS A 2 -4.495 -10.977 -3.975 1.00 0.00 C ATOM 13 O LYS A 2 -3.742 -10.079 -4.295 1.00 0.00 O ATOM 14 CB LYS A 2 -5.135 -13.210 -2.967 1.00 0.00 C ATOM 15 CG LYS A 2 -4.584 -14.428 -2.225 1.00 0.00 C ATOM 16 CD LYS A 2 -4.427 -15.592 -3.203 1.00 0.00 C ATOM 17 CE LYS A 2 -5.127 -16.830 -2.640 1.00 0.00 C ATOM 18 NZ LYS A 2 -4.300 -17.239 -1.471 1.00 0.00 N ATOM 0 H LYS A 2 -4.075 -11.554 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.268 -12.684 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.888 -12.710 -2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.627 -13.524 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.622 -14.187 -1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.257 -14.708 -1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.854 -15.328 -4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.370 -15.802 -3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.150 -16.603 -2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.181 -17.625 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.531 -18.218 -1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.292 -17.176 -1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.498 -16.609 -0.668 1.00 0.00 H new ATOM 32 N ALA A 3 -5.760 -10.913 -4.202 1.00 0.00 N ATOM 33 CA ALA A 3 -6.371 -9.733 -4.866 1.00 0.00 C ATOM 34 C ALA A 3 -7.246 -8.987 -3.864 1.00 0.00 C ATOM 35 O ALA A 3 -8.448 -9.149 -3.834 1.00 0.00 O ATOM 36 CB ALA A 3 -7.219 -10.309 -6.001 1.00 0.00 C ATOM 0 H ALA A 3 -6.423 -11.647 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.629 -9.027 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.705 -9.496 -6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.580 -10.868 -6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.977 -10.974 -5.587 1.00 0.00 H new HETATM 42 N CLG A 4 -6.638 -8.197 -3.029 1.00 0.00 N HETATM 43 CA CLG A 4 -7.404 -7.434 -1.991 1.00 0.00 C HETATM 44 CB CLG A 4 -6.366 -6.600 -1.238 1.00 0.00 C HETATM 45 CG CLG A 4 -7.023 -5.976 -0.004 1.00 0.00 C HETATM 46 CD CLG A 4 -5.971 -5.224 0.814 1.00 0.00 C HETATM 47 CE CLG A 4 -6.450 -3.794 1.069 1.00 0.00 C HETATM 48 NZ CLG A 4 -5.562 -2.936 0.236 1.00 0.00 N HETATM 49 CH CLG A 4 -5.506 -1.652 0.451 1.00 0.00 C HETATM 50 OI CLG A 4 -6.168 -1.129 1.327 1.00 0.00 O HETATM 51 CI CLG A 4 -4.575 -0.826 -0.438 1.00 0.00 C HETATM 52 NJ CLG A 4 -4.333 0.502 0.191 1.00 0.00 N HETATM 53 CK CLG A 4 -3.163 1.071 0.085 1.00 0.00 C HETATM 54 OL CLG A 4 -2.255 0.537 -0.520 1.00 0.00 O HETATM 55 C CLG A 4 -8.435 -6.488 -2.628 1.00 0.00 C HETATM 56 O CLG A 4 -8.442 -5.303 -2.361 1.00 0.00 O HETATM 57 CL CLG A 4 -2.977 2.435 0.753 1.00 0.00 C HETATM 58 OM CLG A 4 -1.651 2.891 0.534 1.00 0.00 O HETATM 59 NM CLG A 4 -1.455 4.156 1.146 1.00 0.00 N HETATM 0 HZ CLG A 4 -4.997 -3.354 -0.503 1.00 0.00 H new HETATM 0 HNJ CLG A 4 -5.082 0.967 0.705 1.00 0.00 H new HETATM 0 HL2 CLG A 4 -3.691 3.151 0.347 1.00 0.00 H new HETATM 0 HL1 CLG A 4 -3.175 2.359 1.822 1.00 0.00 H new HETATM 0 HI2 CLG A 4 -3.630 -1.351 -0.579 1.00 0.00 H new HETATM 0 HI1 CLG A 4 -5.018 -0.697 -1.425 1.00 0.00 H new HETATM 0 HG3 CLG A 4 -7.817 -5.294 -0.308 1.00 0.00 H new HETATM 0 HG2 CLG A 4 -7.486 -6.752 0.606 1.00 0.00 H new HETATM 0 HE3 CLG A 4 -7.496 -3.672 0.786 1.00 0.00 H new HETATM 0 HE2 CLG A 4 -6.373 -3.534 2.125 1.00 0.00 H new HETATM 0 HD3 CLG A 4 -5.798 -5.735 1.761 1.00 0.00 H new HETATM 0 HD2 CLG A 4 -5.021 -5.211 0.280 1.00 0.00 H new HETATM 0 HB3 CLG A 4 -5.525 -7.226 -0.940 1.00 0.00 H new HETATM 0 HB2 CLG A 4 -5.968 -5.820 -1.887 1.00 0.00 H new HETATM 0 HA CLG A 4 -7.951 -8.120 -1.344 1.00 0.00 H new HETATM 0 H CLG A 4 -5.627 -8.083 -3.103 1.00 0.00 H new ATOM 76 N ILE A 5 -9.302 -6.988 -3.460 1.00 0.00 N ATOM 77 CA ILE A 5 -10.320 -6.107 -4.099 1.00 0.00 C ATOM 78 C ILE A 5 -9.636 -5.010 -4.916 1.00 0.00 C ATOM 79 O ILE A 5 -8.506 -4.644 -4.660 1.00 0.00 O ATOM 80 CB ILE A 5 -11.104 -5.501 -2.936 1.00 0.00 C ATOM 81 CG1 ILE A 5 -11.468 -6.603 -1.938 1.00 0.00 C ATOM 82 CG2 ILE A 5 -12.384 -4.853 -3.466 1.00 0.00 C ATOM 83 CD1 ILE A 5 -12.359 -7.640 -2.624 1.00 0.00 C ATOM 0 H ILE A 5 -9.351 -7.971 -3.727 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.966 -6.654 -4.785 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.493 -4.747 -2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -10.563 -7.079 -1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.985 -6.174 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -12.943 -4.421 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.127 -4.069 -4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -12.995 -5.607 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.618 -8.425 -1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.270 -7.158 -2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.825 -8.077 -3.468 1.00 0.00 H new ATOM 95 N ILE A 6 -10.311 -4.482 -5.900 1.00 0.00 N ATOM 96 CA ILE A 6 -9.700 -3.409 -6.735 1.00 0.00 C ATOM 97 C ILE A 6 -10.181 -2.035 -6.262 1.00 0.00 C ATOM 98 O ILE A 6 -11.359 -1.811 -6.065 1.00 0.00 O ATOM 99 CB ILE A 6 -10.190 -3.689 -8.155 1.00 0.00 C ATOM 100 CG1 ILE A 6 -9.710 -2.574 -9.087 1.00 0.00 C ATOM 101 CG2 ILE A 6 -11.718 -3.740 -8.168 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.278 -3.177 -10.425 1.00 0.00 C ATOM 0 H ILE A 6 -11.260 -4.748 -6.162 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.612 -3.403 -6.672 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.792 -4.645 -8.495 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -10.508 -1.848 -9.244 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.877 -2.038 -8.632 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -12.067 -3.940 -9.181 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.061 -4.533 -7.503 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.117 -2.784 -7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.936 -2.383 -11.089 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.467 -3.886 -10.260 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.123 -3.693 -10.881 1.00 0.00 H new ATOM 114 N ARG A 7 -9.277 -1.110 -6.079 1.00 0.00 N ATOM 115 CA ARG A 7 -9.683 0.249 -5.619 1.00 0.00 C ATOM 116 C ARG A 7 -9.478 1.269 -6.742 1.00 0.00 C ATOM 117 O ARG A 7 -8.373 1.694 -7.013 1.00 0.00 O ATOM 118 CB ARG A 7 -8.765 0.558 -4.436 1.00 0.00 C ATOM 119 CG ARG A 7 -9.470 0.186 -3.131 1.00 0.00 C ATOM 120 CD ARG A 7 -8.878 1.000 -1.979 1.00 0.00 C ATOM 121 NE ARG A 7 -8.661 0.015 -0.883 1.00 0.00 N ATOM 122 CZ ARG A 7 -9.671 -0.659 -0.404 1.00 0.00 C ATOM 123 NH1 ARG A 7 -10.551 -0.065 0.354 1.00 0.00 N ATOM 124 NH2 ARG A 7 -9.800 -1.928 -0.684 1.00 0.00 N ATOM 0 H ARG A 7 -8.276 -1.237 -6.228 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.735 0.294 -5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.833 0.000 -4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.504 1.616 -4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.539 0.380 -3.215 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.354 -0.880 -2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.943 1.477 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.556 1.794 -1.667 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.724 -0.133 -0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.450 0.926 0.572 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.340 -0.592 0.728 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.112 -2.392 -1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.589 -2.455 -0.310 1.00 0.00 H new ATOM 138 N TYR A 8 -10.536 1.666 -7.395 1.00 0.00 N ATOM 139 CA TYR A 8 -10.403 2.658 -8.500 1.00 0.00 C ATOM 140 C TYR A 8 -11.100 3.968 -8.121 1.00 0.00 C ATOM 141 O TYR A 8 -12.218 3.973 -7.646 1.00 0.00 O ATOM 142 CB TYR A 8 -11.095 2.010 -9.699 1.00 0.00 C ATOM 143 CG TYR A 8 -10.082 1.241 -10.511 1.00 0.00 C ATOM 144 CD1 TYR A 8 -9.349 0.206 -9.917 1.00 0.00 C ATOM 145 CD2 TYR A 8 -9.874 1.561 -11.858 1.00 0.00 C ATOM 146 CE1 TYR A 8 -8.409 -0.508 -10.669 1.00 0.00 C ATOM 147 CE2 TYR A 8 -8.934 0.847 -12.610 1.00 0.00 C ATOM 148 CZ TYR A 8 -8.202 -0.188 -12.017 1.00 0.00 C ATOM 149 OH TYR A 8 -7.275 -0.892 -12.758 1.00 0.00 O ATOM 0 H TYR A 8 -11.487 1.346 -7.211 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.362 2.902 -8.713 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.886 1.342 -9.358 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.567 2.774 -10.316 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.509 -0.041 -8.878 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.439 2.359 -12.317 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.843 -1.305 -10.210 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.773 1.095 -13.649 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.256 -0.544 -13.674 1.00 0.00 H new ATOM 159 N PHE A 9 -10.446 5.079 -8.324 1.00 0.00 N ATOM 160 CA PHE A 9 -11.072 6.387 -7.976 1.00 0.00 C ATOM 161 C PHE A 9 -10.608 7.471 -8.951 1.00 0.00 C ATOM 162 O PHE A 9 -9.881 8.376 -8.590 1.00 0.00 O ATOM 163 CB PHE A 9 -10.583 6.694 -6.560 1.00 0.00 C ATOM 164 CG PHE A 9 -11.198 5.714 -5.591 1.00 0.00 C ATOM 165 CD1 PHE A 9 -12.590 5.637 -5.462 1.00 0.00 C ATOM 166 CD2 PHE A 9 -10.377 4.881 -4.821 1.00 0.00 C ATOM 167 CE1 PHE A 9 -13.161 4.727 -4.562 1.00 0.00 C ATOM 168 CE2 PHE A 9 -10.947 3.972 -3.922 1.00 0.00 C ATOM 169 CZ PHE A 9 -12.339 3.894 -3.793 1.00 0.00 C ATOM 0 H PHE A 9 -9.506 5.138 -8.715 1.00 0.00 H new ATOM 0 HA PHE A 9 -12.160 6.353 -8.034 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.496 6.630 -6.518 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.853 7.713 -6.284 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -13.224 6.279 -6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.303 4.940 -4.921 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -14.235 4.668 -4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.313 3.331 -3.328 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.779 3.191 -3.101 1.00 0.00 H new ATOM 179 N TYR A 10 -11.024 7.388 -10.186 1.00 0.00 N ATOM 180 CA TYR A 10 -10.607 8.415 -11.184 1.00 0.00 C ATOM 181 C TYR A 10 -11.130 9.794 -10.774 1.00 0.00 C ATOM 182 O TYR A 10 -12.155 10.244 -11.244 1.00 0.00 O ATOM 183 CB TYR A 10 -11.242 7.969 -12.501 1.00 0.00 C ATOM 184 CG TYR A 10 -10.539 8.644 -13.654 1.00 0.00 C ATOM 185 CD1 TYR A 10 -10.514 10.042 -13.737 1.00 0.00 C ATOM 186 CD2 TYR A 10 -9.911 7.873 -14.639 1.00 0.00 C ATOM 187 CE1 TYR A 10 -9.862 10.668 -14.806 1.00 0.00 C ATOM 188 CE2 TYR A 10 -9.259 8.499 -15.708 1.00 0.00 C ATOM 189 CZ TYR A 10 -9.234 9.896 -15.791 1.00 0.00 C ATOM 190 OH TYR A 10 -8.592 10.513 -16.845 1.00 0.00 O ATOM 0 H TYR A 10 -11.634 6.654 -10.547 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.523 8.498 -11.263 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -11.172 6.886 -12.602 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -12.302 8.222 -12.510 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.998 10.637 -12.976 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.929 6.795 -14.574 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.843 11.746 -14.871 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.775 7.904 -16.469 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.208 9.833 -17.438 1.00 0.00 H new ATOM 200 N ASN A 11 -10.433 10.468 -9.899 1.00 0.00 N ATOM 201 CA ASN A 11 -10.892 11.817 -9.460 1.00 0.00 C ATOM 202 C ASN A 11 -10.384 12.889 -10.429 1.00 0.00 C ATOM 203 O ASN A 11 -9.391 13.542 -10.181 1.00 0.00 O ATOM 204 CB ASN A 11 -10.278 12.012 -8.074 1.00 0.00 C ATOM 205 CG ASN A 11 -11.325 11.703 -7.004 1.00 0.00 C ATOM 206 OD1 ASN A 11 -11.553 12.497 -6.113 1.00 0.00 O ATOM 207 ND2 ASN A 11 -11.978 10.573 -7.053 1.00 0.00 N ATOM 0 H ASN A 11 -9.567 10.143 -9.470 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.979 11.898 -9.439 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.414 11.358 -7.952 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.921 13.036 -7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.679 10.358 -6.344 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.787 9.906 -7.801 1.00 0.00 H new ATOM 214 N ALA A 12 -11.059 13.074 -11.530 1.00 0.00 N ATOM 215 CA ALA A 12 -10.614 14.104 -12.512 1.00 0.00 C ATOM 216 C ALA A 12 -10.535 15.476 -11.840 1.00 0.00 C ATOM 217 O ALA A 12 -9.642 16.257 -12.103 1.00 0.00 O ATOM 218 CB ALA A 12 -11.688 14.101 -13.601 1.00 0.00 C ATOM 0 H ALA A 12 -11.898 12.557 -11.792 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.624 13.891 -12.915 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.433 14.835 -14.365 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.744 13.111 -14.054 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.653 14.354 -13.161 1.00 0.00 H new ATOM 224 N LYS A 13 -11.459 15.775 -10.967 1.00 0.00 N ATOM 225 CA LYS A 13 -11.430 17.094 -10.275 1.00 0.00 C ATOM 226 C LYS A 13 -10.032 17.345 -9.721 1.00 0.00 C ATOM 227 O LYS A 13 -9.228 18.032 -10.320 1.00 0.00 O ATOM 228 CB LYS A 13 -12.448 16.971 -9.139 1.00 0.00 C ATOM 229 CG LYS A 13 -12.323 18.177 -8.207 1.00 0.00 C ATOM 230 CD LYS A 13 -13.134 17.926 -6.935 1.00 0.00 C ATOM 231 CE LYS A 13 -14.629 17.972 -7.264 1.00 0.00 C ATOM 232 NZ LYS A 13 -15.311 17.546 -6.010 1.00 0.00 N ATOM 0 H LYS A 13 -12.232 15.163 -10.704 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.671 17.924 -10.939 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.458 16.916 -9.546 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.278 16.049 -8.583 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.276 18.349 -7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.682 19.076 -8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.874 16.956 -6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.893 18.678 -6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.938 18.974 -7.561 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.872 17.306 -8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.341 17.552 -6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.003 16.586 -5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.066 18.203 -5.241 1.00 0.00 H new ATOM 246 N ASP A 14 -9.725 16.778 -8.588 1.00 0.00 N ATOM 247 CA ASP A 14 -8.369 16.968 -8.011 1.00 0.00 C ATOM 248 C ASP A 14 -7.355 16.148 -8.812 1.00 0.00 C ATOM 249 O ASP A 14 -6.168 16.185 -8.554 1.00 0.00 O ATOM 250 CB ASP A 14 -8.469 16.451 -6.576 1.00 0.00 C ATOM 251 CG ASP A 14 -7.179 16.780 -5.823 1.00 0.00 C ATOM 252 OD1 ASP A 14 -6.598 17.814 -6.105 1.00 0.00 O ATOM 253 OD2 ASP A 14 -6.792 15.991 -4.976 1.00 0.00 O ATOM 0 H ASP A 14 -10.354 16.193 -8.039 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.042 18.007 -8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.322 16.906 -6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.637 15.374 -6.577 1.00 0.00 H new ATOM 258 N GLY A 15 -7.817 15.403 -9.784 1.00 0.00 N ATOM 259 CA GLY A 15 -6.879 14.580 -10.600 1.00 0.00 C ATOM 260 C GLY A 15 -6.173 13.565 -9.699 1.00 0.00 C ATOM 261 O GLY A 15 -5.007 13.702 -9.390 1.00 0.00 O ATOM 0 H GLY A 15 -8.800 15.330 -10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.425 14.063 -11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.145 15.222 -11.087 1.00 0.00 H new ATOM 265 N LEU A 16 -6.871 12.547 -9.275 1.00 0.00 N ATOM 266 CA LEU A 16 -6.237 11.525 -8.394 1.00 0.00 C ATOM 267 C LEU A 16 -6.853 10.147 -8.654 1.00 0.00 C ATOM 268 O LEU A 16 -7.555 9.603 -7.824 1.00 0.00 O ATOM 269 CB LEU A 16 -6.542 11.987 -6.968 1.00 0.00 C ATOM 270 CG LEU A 16 -5.354 11.663 -6.061 1.00 0.00 C ATOM 271 CD1 LEU A 16 -4.768 12.962 -5.505 1.00 0.00 C ATOM 272 CD2 LEU A 16 -5.824 10.781 -4.902 1.00 0.00 C ATOM 0 H LEU A 16 -7.852 12.379 -9.500 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.166 11.433 -8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.740 13.059 -6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.440 11.493 -6.599 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.592 11.136 -6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.921 12.732 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.434 13.593 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.530 13.489 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.978 10.549 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.586 11.309 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.243 9.855 -5.296 1.00 0.00 H new HETATM 284 N ABA A 17 -6.597 9.579 -9.801 1.00 0.00 N HETATM 285 CA ABA A 17 -7.167 8.238 -10.114 1.00 0.00 C HETATM 286 C ABA A 17 -6.444 7.156 -9.308 1.00 0.00 C HETATM 287 O ABA A 17 -5.591 6.455 -9.817 1.00 0.00 O HETATM 288 CB ABA A 17 -6.927 8.043 -11.610 1.00 0.00 C HETATM 289 CG ABA A 17 -7.395 6.648 -12.026 1.00 0.00 C HETATM 0 HG3 ABA A 17 -8.459 6.543 -11.813 1.00 0.00 H new HETATM 0 HG2 ABA A 17 -6.837 5.896 -11.468 1.00 0.00 H new HETATM 0 HG1 ABA A 17 -7.223 6.510 -13.094 1.00 0.00 H new HETATM 0 HB3 ABA A 17 -5.868 8.166 -11.838 1.00 0.00 H new HETATM 0 HB2 ABA A 17 -7.465 8.802 -12.177 1.00 0.00 H new HETATM 0 HA ABA A 17 -8.225 8.170 -9.860 1.00 0.00 H new ATOM 297 N GLN A 18 -6.778 7.013 -8.055 1.00 0.00 N ATOM 298 CA GLN A 18 -6.109 5.975 -7.219 1.00 0.00 C ATOM 299 C GLN A 18 -6.409 4.578 -7.768 1.00 0.00 C ATOM 300 O GLN A 18 -7.517 4.286 -8.172 1.00 0.00 O ATOM 301 CB GLN A 18 -6.709 6.143 -5.823 1.00 0.00 C ATOM 302 CG GLN A 18 -6.556 7.598 -5.373 1.00 0.00 C ATOM 303 CD GLN A 18 -7.873 8.088 -4.769 1.00 0.00 C ATOM 304 OE1 GLN A 18 -8.376 9.224 -5.166 1.00 0.00 O flip ATOM 305 NE2 GLN A 18 -8.451 7.429 -3.927 1.00 0.00 N flip ATOM 0 H GLN A 18 -7.485 7.569 -7.574 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.025 6.087 -7.213 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.762 5.863 -5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.209 5.479 -5.118 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.754 7.680 -4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.277 8.224 -6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.058 6.541 -3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.329 7.764 -3.531 1.00 0.00 H new ATOM 314 N THR A 19 -5.432 3.714 -7.787 1.00 0.00 N ATOM 315 CA THR A 19 -5.665 2.337 -8.310 1.00 0.00 C ATOM 316 C THR A 19 -4.925 1.310 -7.449 1.00 0.00 C ATOM 317 O THR A 19 -3.852 0.856 -7.791 1.00 0.00 O ATOM 318 CB THR A 19 -5.097 2.353 -9.731 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.400 3.597 -10.346 1.00 0.00 O ATOM 320 CG2 THR A 19 -5.716 1.214 -10.543 1.00 0.00 C ATOM 0 H THR A 19 -4.483 3.901 -7.463 1.00 0.00 H new ATOM 0 HA THR A 19 -6.720 2.063 -8.294 1.00 0.00 H new ATOM 0 HB THR A 19 -4.016 2.221 -9.692 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.929 3.661 -11.203 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.311 1.226 -11.555 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.481 0.261 -10.070 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.798 1.342 -10.584 1.00 0.00 H new ATOM 328 N PHE A 20 -5.493 0.940 -6.334 1.00 0.00 N ATOM 329 CA PHE A 20 -4.823 -0.059 -5.452 1.00 0.00 C ATOM 330 C PHE A 20 -5.484 -1.432 -5.614 1.00 0.00 C ATOM 331 O PHE A 20 -6.662 -1.596 -5.367 1.00 0.00 O ATOM 332 CB PHE A 20 -5.026 0.468 -4.031 1.00 0.00 C ATOM 333 CG PHE A 20 -4.139 1.668 -3.804 1.00 0.00 C ATOM 334 CD1 PHE A 20 -4.521 2.923 -4.291 1.00 0.00 C ATOM 335 CD2 PHE A 20 -2.935 1.525 -3.103 1.00 0.00 C ATOM 336 CE1 PHE A 20 -3.699 4.036 -4.078 1.00 0.00 C ATOM 337 CE2 PHE A 20 -2.113 2.639 -2.890 1.00 0.00 C ATOM 338 CZ PHE A 20 -2.496 3.894 -3.378 1.00 0.00 C ATOM 0 H PHE A 20 -6.391 1.285 -5.995 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.767 -0.182 -5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.070 0.741 -3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.792 -0.312 -3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.450 3.033 -4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.641 0.556 -2.727 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.994 5.005 -4.454 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.184 2.530 -2.350 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.862 4.753 -3.214 1.00 0.00 H new ATOM 348 N VAL A 21 -4.737 -2.420 -6.028 1.00 0.00 N ATOM 349 CA VAL A 21 -5.332 -3.778 -6.202 1.00 0.00 C ATOM 350 C VAL A 21 -4.294 -4.849 -5.870 1.00 0.00 C ATOM 351 O VAL A 21 -3.445 -5.168 -6.675 1.00 0.00 O ATOM 352 CB VAL A 21 -5.724 -3.851 -7.678 1.00 0.00 C ATOM 353 CG1 VAL A 21 -6.658 -5.042 -7.901 1.00 0.00 C ATOM 354 CG2 VAL A 21 -6.439 -2.560 -8.079 1.00 0.00 C ATOM 0 H VAL A 21 -3.745 -2.347 -6.253 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.186 -3.945 -5.546 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.828 -3.975 -8.286 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.937 -5.093 -8.953 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.149 -5.962 -7.615 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.555 -4.920 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.719 -2.611 -9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.335 -2.436 -7.471 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.773 -1.711 -7.921 1.00 0.00 H new ATOM 364 N TYR A 22 -4.356 -5.409 -4.693 1.00 0.00 N ATOM 365 CA TYR A 22 -3.363 -6.459 -4.316 1.00 0.00 C ATOM 366 C TYR A 22 -3.653 -6.975 -2.904 1.00 0.00 C ATOM 367 O TYR A 22 -3.952 -6.216 -2.006 1.00 0.00 O ATOM 368 CB TYR A 22 -2.001 -5.759 -4.372 1.00 0.00 C ATOM 369 CG TYR A 22 -1.810 -4.905 -3.138 1.00 0.00 C ATOM 370 CD1 TYR A 22 -1.309 -5.472 -1.958 1.00 0.00 C ATOM 371 CD2 TYR A 22 -2.136 -3.545 -3.175 1.00 0.00 C ATOM 372 CE1 TYR A 22 -1.135 -4.678 -0.818 1.00 0.00 C ATOM 373 CE2 TYR A 22 -1.964 -2.751 -2.035 1.00 0.00 C ATOM 374 CZ TYR A 22 -1.463 -3.317 -0.856 1.00 0.00 C ATOM 375 OH TYR A 22 -1.294 -2.535 0.268 1.00 0.00 O ATOM 0 H TYR A 22 -5.048 -5.187 -3.977 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.399 -7.322 -4.980 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.204 -6.500 -4.439 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.937 -5.140 -5.267 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.057 -6.522 -1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.521 -3.107 -4.084 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.748 -5.115 0.091 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.218 -1.702 -2.065 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.568 -1.615 0.071 1.00 0.00 H new ATOM 385 N GLY A 23 -3.575 -8.263 -2.707 1.00 0.00 N ATOM 386 CA GLY A 23 -3.860 -8.829 -1.358 1.00 0.00 C ATOM 387 C GLY A 23 -3.195 -7.966 -0.284 1.00 0.00 C ATOM 388 O GLY A 23 -2.018 -7.672 -0.351 1.00 0.00 O ATOM 0 H GLY A 23 -3.326 -8.947 -3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.936 -8.870 -1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.489 -9.852 -1.297 1.00 0.00 H new ATOM 392 N GLY A 24 -3.938 -7.558 0.708 1.00 0.00 N ATOM 393 CA GLY A 24 -3.344 -6.716 1.785 1.00 0.00 C ATOM 394 C GLY A 24 -3.215 -7.539 3.067 1.00 0.00 C ATOM 395 O GLY A 24 -3.523 -7.076 4.148 1.00 0.00 O ATOM 0 H GLY A 24 -4.929 -7.771 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.365 -6.350 1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.970 -5.842 1.964 1.00 0.00 H new ATOM 399 N CYS A 25 -2.763 -8.758 2.957 1.00 0.00 N ATOM 400 CA CYS A 25 -2.614 -9.612 4.172 1.00 0.00 C ATOM 401 C CYS A 25 -1.198 -10.190 4.242 1.00 0.00 C ATOM 402 O CYS A 25 -0.976 -11.225 4.838 1.00 0.00 O ATOM 403 CB CYS A 25 -3.644 -10.732 4.005 1.00 0.00 C ATOM 404 SG CYS A 25 -3.554 -11.399 2.323 1.00 0.00 S ATOM 0 H CYS A 25 -2.490 -9.200 2.079 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.773 -9.049 5.092 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.456 -11.523 4.731 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.646 -10.350 4.202 1.00 0.00 H new HETATM 409 N NH2 A 26 -0.220 -9.558 3.652 1.00 0.00 N TER 412 NH2 A 26 HETATM 413 CA MPT B 1 4.286 -12.244 -12.684 1.00 0.00 C HETATM 414 C MPT B 1 5.066 -12.573 -11.406 1.00 0.00 C HETATM 415 O MPT B 1 5.893 -13.463 -11.385 1.00 0.00 O HETATM 416 CB MPT B 1 2.868 -11.803 -12.335 1.00 0.00 C HETATM 417 SG MPT B 1 1.934 -11.510 -13.857 1.00 0.00 S HETATM 0 HB2 MPT B 1 2.375 -12.568 -11.735 1.00 0.00 H new HETATM 0 HB1 MPT B 1 2.896 -10.895 -11.733 1.00 0.00 H new HETATM 0 HA2 MPT B 1 4.795 -11.454 -13.237 1.00 0.00 H new HETATM 0 HA1 MPT B 1 4.253 -13.118 -13.334 1.00 0.00 H new ATOM 422 N LYS B 2 4.811 -11.862 -10.343 1.00 0.00 N ATOM 423 CA LYS B 2 5.528 -12.125 -9.075 1.00 0.00 C ATOM 424 C LYS B 2 4.517 -12.332 -7.952 1.00 0.00 C ATOM 425 O LYS B 2 3.674 -13.205 -8.007 1.00 0.00 O ATOM 426 CB LYS B 2 6.376 -10.868 -8.855 1.00 0.00 C ATOM 427 CG LYS B 2 7.192 -10.570 -10.116 1.00 0.00 C ATOM 428 CD LYS B 2 8.398 -11.510 -10.178 1.00 0.00 C ATOM 429 CE LYS B 2 9.257 -11.158 -11.395 1.00 0.00 C ATOM 430 NZ LYS B 2 10.647 -11.066 -10.869 1.00 0.00 N ATOM 0 H LYS B 2 4.129 -11.104 -10.303 1.00 0.00 H new ATOM 0 HA LYS B 2 6.146 -13.023 -9.099 1.00 0.00 H new ATOM 0 HB2 LYS B 2 5.733 -10.021 -8.617 1.00 0.00 H new ATOM 0 HB3 LYS B 2 7.042 -11.011 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS B 2 6.571 -10.699 -11.003 1.00 0.00 H new ATOM 0 HG3 LYS B 2 7.526 -9.533 -10.109 1.00 0.00 H new ATOM 0 HD2 LYS B 2 8.988 -11.423 -9.266 1.00 0.00 H new ATOM 0 HD3 LYS B 2 8.063 -12.545 -10.243 1.00 0.00 H new ATOM 0 HE2 LYS B 2 9.177 -11.921 -12.169 1.00 0.00 H new ATOM 0 HE3 LYS B 2 8.941 -10.216 -11.843 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 11.297 -10.827 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 10.694 -10.327 -10.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 10.923 -11.979 -10.455 1.00 0.00 H new ATOM 444 N ALA B 3 4.603 -11.537 -6.946 1.00 0.00 N ATOM 445 CA ALA B 3 3.659 -11.660 -5.797 1.00 0.00 C ATOM 446 C ALA B 3 2.335 -10.968 -6.124 1.00 0.00 C ATOM 447 O ALA B 3 1.990 -10.775 -7.272 1.00 0.00 O ATOM 448 CB ALA B 3 4.359 -10.955 -4.634 1.00 0.00 C ATOM 0 H ALA B 3 5.293 -10.791 -6.857 1.00 0.00 H new ATOM 0 HA ALA B 3 3.425 -12.699 -5.564 1.00 0.00 H new ATOM 0 HB1 ALA B 3 3.727 -11.001 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA B 3 5.309 -11.448 -4.429 1.00 0.00 H new ATOM 0 HB3 ALA B 3 4.540 -9.913 -4.896 1.00 0.00 H new ATOM 454 N ARG B 4 1.592 -10.595 -5.121 1.00 0.00 N ATOM 455 CA ARG B 4 0.289 -9.914 -5.367 1.00 0.00 C ATOM 456 C ARG B 4 0.210 -8.611 -4.567 1.00 0.00 C ATOM 457 O ARG B 4 -0.682 -8.417 -3.763 1.00 0.00 O ATOM 458 CB ARG B 4 -0.773 -10.904 -4.885 1.00 0.00 C ATOM 459 CG ARG B 4 -0.520 -12.273 -5.517 1.00 0.00 C ATOM 460 CD ARG B 4 -0.848 -12.215 -7.011 1.00 0.00 C ATOM 461 NE ARG B 4 -0.909 -13.638 -7.445 1.00 0.00 N ATOM 462 CZ ARG B 4 0.146 -14.398 -7.340 1.00 0.00 C ATOM 463 NH1 ARG B 4 1.274 -14.027 -7.880 1.00 0.00 N ATOM 464 NH2 ARG B 4 0.074 -15.529 -6.694 1.00 0.00 N ATOM 0 H ARG B 4 1.830 -10.732 -4.139 1.00 0.00 H new ATOM 0 HA ARG B 4 0.155 -9.649 -6.416 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -0.745 -10.983 -3.798 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -1.767 -10.546 -5.153 1.00 0.00 H new ATOM 0 HG2 ARG B 4 0.520 -12.565 -5.373 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -1.134 -13.030 -5.028 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -1.796 -11.707 -7.188 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -0.084 -11.666 -7.562 1.00 0.00 H new ATOM 0 HE ARG B 4 -1.776 -14.019 -7.824 1.00 0.00 H new ATOM 0 HH11 ARG B 4 1.331 -13.142 -8.385 1.00 0.00 H new ATOM 0 HH12 ARG B 4 2.099 -14.622 -7.798 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -0.807 -15.819 -6.271 1.00 0.00 H new ATOM 0 HH22 ARG B 4 0.899 -16.123 -6.612 1.00 0.00 H new ATOM 478 N ILE B 5 1.139 -7.716 -4.781 1.00 0.00 N ATOM 479 CA ILE B 5 1.118 -6.424 -4.034 1.00 0.00 C ATOM 480 C ILE B 5 1.167 -5.245 -5.017 1.00 0.00 C ATOM 481 O ILE B 5 1.929 -4.316 -4.849 1.00 0.00 O ATOM 482 CB ILE B 5 2.363 -6.450 -3.137 1.00 0.00 C ATOM 483 CG1 ILE B 5 3.604 -6.065 -3.947 1.00 0.00 C ATOM 484 CG2 ILE B 5 2.555 -7.853 -2.554 1.00 0.00 C ATOM 485 CD1 ILE B 5 4.071 -4.675 -3.518 1.00 0.00 C ATOM 0 H ILE B 5 1.910 -7.824 -5.440 1.00 0.00 H new ATOM 0 HA ILE B 5 0.209 -6.302 -3.445 1.00 0.00 H new ATOM 0 HB ILE B 5 2.225 -5.734 -2.327 1.00 0.00 H new ATOM 0 HG12 ILE B 5 4.398 -6.794 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE B 5 3.374 -6.072 -5.013 1.00 0.00 H new ATOM 0 HG21 ILE B 5 3.440 -7.865 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE B 5 1.680 -8.124 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE B 5 2.681 -8.570 -3.365 1.00 0.00 H new ATOM 0 HD11 ILE B 5 4.955 -4.395 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE B 5 3.276 -3.952 -3.700 1.00 0.00 H new ATOM 0 HD13 ILE B 5 4.316 -4.685 -2.456 1.00 0.00 H new ATOM 497 N ILE B 6 0.366 -5.281 -6.047 1.00 0.00 N ATOM 498 CA ILE B 6 0.383 -4.164 -7.040 1.00 0.00 C ATOM 499 C ILE B 6 -0.604 -3.059 -6.646 1.00 0.00 C ATOM 500 O ILE B 6 -1.756 -3.308 -6.341 1.00 0.00 O ATOM 501 CB ILE B 6 -0.023 -4.803 -8.370 1.00 0.00 C ATOM 502 CG1 ILE B 6 0.118 -3.772 -9.493 1.00 0.00 C ATOM 503 CG2 ILE B 6 -1.474 -5.275 -8.296 1.00 0.00 C ATOM 504 CD1 ILE B 6 1.523 -3.168 -9.460 1.00 0.00 C ATOM 0 H ILE B 6 -0.297 -6.030 -6.245 1.00 0.00 H new ATOM 0 HA ILE B 6 1.363 -3.691 -7.096 1.00 0.00 H new ATOM 0 HB ILE B 6 0.624 -5.657 -8.571 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.064 -4.244 -10.459 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -0.629 -2.987 -9.376 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.758 -5.729 -9.245 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -1.577 -6.009 -7.497 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -2.124 -4.424 -8.092 1.00 0.00 H new ATOM 0 HD11 ILE B 6 1.622 -2.434 -10.260 1.00 0.00 H new ATOM 0 HD12 ILE B 6 1.687 -2.681 -8.499 1.00 0.00 H new ATOM 0 HD13 ILE B 6 2.262 -3.957 -9.598 1.00 0.00 H new ATOM 516 N ARG B 7 -0.151 -1.835 -6.659 1.00 0.00 N ATOM 517 CA ARG B 7 -1.040 -0.694 -6.296 1.00 0.00 C ATOM 518 C ARG B 7 -0.457 0.617 -6.828 1.00 0.00 C ATOM 519 O ARG B 7 0.640 1.001 -6.486 1.00 0.00 O ATOM 520 CB ARG B 7 -1.069 -0.682 -4.767 1.00 0.00 C ATOM 521 CG ARG B 7 0.351 -0.843 -4.223 1.00 0.00 C ATOM 522 CD ARG B 7 0.416 -0.295 -2.796 1.00 0.00 C ATOM 523 NE ARG B 7 1.741 -0.729 -2.275 1.00 0.00 N ATOM 524 CZ ARG B 7 1.833 -1.801 -1.537 1.00 0.00 C ATOM 525 NH1 ARG B 7 1.784 -2.981 -2.093 1.00 0.00 N ATOM 526 NH2 ARG B 7 1.975 -1.694 -0.244 1.00 0.00 N ATOM 0 H ARG B 7 0.803 -1.574 -6.907 1.00 0.00 H new ATOM 0 HA ARG B 7 -2.038 -0.798 -6.722 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -1.502 0.252 -4.409 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -1.703 -1.489 -4.399 1.00 0.00 H new ATOM 0 HG2 ARG B 7 0.639 -1.894 -4.234 1.00 0.00 H new ATOM 0 HG3 ARG B 7 1.058 -0.312 -4.860 1.00 0.00 H new ATOM 0 HD2 ARG B 7 0.325 0.791 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -0.396 -0.689 -2.185 1.00 0.00 H new ATOM 0 HE ARG B 7 2.577 -0.188 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG B 7 1.674 -3.064 -3.104 1.00 0.00 H new ATOM 0 HH12 ARG B 7 1.856 -3.820 -1.517 1.00 0.00 H new ATOM 0 HH21 ARG B 7 2.014 -0.772 0.190 1.00 0.00 H new ATOM 0 HH22 ARG B 7 2.047 -2.533 0.332 1.00 0.00 H new ATOM 540 N TYR B 8 -1.179 1.309 -7.664 1.00 0.00 N ATOM 541 CA TYR B 8 -0.648 2.594 -8.203 1.00 0.00 C ATOM 542 C TYR B 8 -1.703 3.692 -8.095 1.00 0.00 C ATOM 543 O TYR B 8 -2.889 3.437 -8.168 1.00 0.00 O ATOM 544 CB TYR B 8 -0.294 2.324 -9.668 1.00 0.00 C ATOM 545 CG TYR B 8 -1.293 1.380 -10.294 1.00 0.00 C ATOM 546 CD1 TYR B 8 -1.245 0.014 -9.995 1.00 0.00 C ATOM 547 CD2 TYR B 8 -2.257 1.870 -11.180 1.00 0.00 C ATOM 548 CE1 TYR B 8 -2.163 -0.863 -10.581 1.00 0.00 C ATOM 549 CE2 TYR B 8 -3.175 0.993 -11.769 1.00 0.00 C ATOM 550 CZ TYR B 8 -3.129 -0.373 -11.470 1.00 0.00 C ATOM 551 OH TYR B 8 -4.035 -1.238 -12.049 1.00 0.00 O ATOM 0 H TYR B 8 -2.106 1.044 -7.996 1.00 0.00 H new ATOM 0 HA TYR B 8 0.223 2.934 -7.643 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -0.277 3.263 -10.222 1.00 0.00 H new ATOM 0 HB3 TYR B 8 0.707 1.897 -9.733 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -0.499 -0.363 -9.311 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -2.293 2.925 -11.410 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -2.128 -1.917 -10.349 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -3.919 1.371 -12.455 1.00 0.00 H new ATOM 0 HH TYR B 8 -4.636 -0.736 -12.638 1.00 0.00 H new ATOM 561 N PHE B 9 -1.283 4.912 -7.913 1.00 0.00 N ATOM 562 CA PHE B 9 -2.269 6.023 -7.790 1.00 0.00 C ATOM 563 C PHE B 9 -1.668 7.332 -8.311 1.00 0.00 C ATOM 564 O PHE B 9 -0.582 7.722 -7.930 1.00 0.00 O ATOM 565 CB PHE B 9 -2.564 6.113 -6.291 1.00 0.00 C ATOM 566 CG PHE B 9 -1.411 6.783 -5.581 1.00 0.00 C ATOM 567 CD1 PHE B 9 -0.210 6.090 -5.390 1.00 0.00 C ATOM 568 CD2 PHE B 9 -1.546 8.095 -5.114 1.00 0.00 C ATOM 569 CE1 PHE B 9 0.858 6.712 -4.732 1.00 0.00 C ATOM 570 CE2 PHE B 9 -0.478 8.717 -4.455 1.00 0.00 C ATOM 571 CZ PHE B 9 0.723 8.025 -4.265 1.00 0.00 C ATOM 0 H PHE B 9 -0.304 5.188 -7.844 1.00 0.00 H new ATOM 0 HA PHE B 9 -3.172 5.847 -8.374 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -3.482 6.677 -6.125 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -2.724 5.115 -5.882 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -0.107 5.077 -5.750 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -2.474 8.628 -5.262 1.00 0.00 H new ATOM 0 HE1 PHE B 9 1.786 6.179 -4.585 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -0.581 9.730 -4.094 1.00 0.00 H new ATOM 0 HZ PHE B 9 1.547 8.504 -3.757 1.00 0.00 H new ATOM 581 N TYR B 10 -2.367 8.010 -9.178 1.00 0.00 N ATOM 582 CA TYR B 10 -1.839 9.292 -9.723 1.00 0.00 C ATOM 583 C TYR B 10 -2.274 10.462 -8.836 1.00 0.00 C ATOM 584 O TYR B 10 -3.237 10.370 -8.100 1.00 0.00 O ATOM 585 CB TYR B 10 -2.457 9.417 -11.115 1.00 0.00 C ATOM 586 CG TYR B 10 -1.531 10.205 -12.010 1.00 0.00 C ATOM 587 CD1 TYR B 10 -1.651 11.598 -12.087 1.00 0.00 C ATOM 588 CD2 TYR B 10 -0.554 9.544 -12.763 1.00 0.00 C ATOM 589 CE1 TYR B 10 -0.792 12.329 -12.917 1.00 0.00 C ATOM 590 CE2 TYR B 10 0.305 10.275 -13.592 1.00 0.00 C ATOM 591 CZ TYR B 10 0.186 11.667 -13.669 1.00 0.00 C ATOM 592 OH TYR B 10 1.033 12.388 -14.487 1.00 0.00 O ATOM 0 H TYR B 10 -3.282 7.732 -9.533 1.00 0.00 H new ATOM 0 HA TYR B 10 -0.750 9.307 -9.759 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -2.632 8.427 -11.537 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -3.426 9.912 -11.051 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -2.405 12.108 -11.507 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -0.463 8.469 -12.704 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -0.884 13.403 -12.977 1.00 0.00 H new ATOM 0 HE2 TYR B 10 1.060 9.765 -14.172 1.00 0.00 H new ATOM 0 HH TYR B 10 1.652 11.776 -14.937 1.00 0.00 H new ATOM 602 N ASN B 11 -1.573 11.560 -8.900 1.00 0.00 N ATOM 603 CA ASN B 11 -1.948 12.734 -8.060 1.00 0.00 C ATOM 604 C ASN B 11 -1.586 14.036 -8.782 1.00 0.00 C ATOM 605 O ASN B 11 -1.066 14.023 -9.879 1.00 0.00 O ATOM 606 CB ASN B 11 -1.126 12.582 -6.780 1.00 0.00 C ATOM 607 CG ASN B 11 -2.046 12.181 -5.626 1.00 0.00 C ATOM 608 OD1 ASN B 11 -2.628 11.013 -5.648 1.00 0.00 O flip ATOM 609 ND2 ASN B 11 -2.237 12.938 -4.695 1.00 0.00 N flip ATOM 0 H ASN B 11 -0.757 11.696 -9.497 1.00 0.00 H new ATOM 0 HA ASN B 11 -3.018 12.772 -7.854 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -0.352 11.828 -6.920 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -0.620 13.519 -6.547 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -1.782 13.851 -4.678 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -2.852 12.661 -3.930 1.00 0.00 H new ATOM 616 N ALA B 12 -1.859 15.158 -8.175 1.00 0.00 N ATOM 617 CA ALA B 12 -1.532 16.458 -8.828 1.00 0.00 C ATOM 618 C ALA B 12 -0.146 16.392 -9.476 1.00 0.00 C ATOM 619 O ALA B 12 0.817 15.978 -8.861 1.00 0.00 O ATOM 620 CB ALA B 12 -1.544 17.484 -7.695 1.00 0.00 C ATOM 0 H ALA B 12 -2.294 15.231 -7.255 1.00 0.00 H new ATOM 0 HA ALA B 12 -2.240 16.712 -9.617 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -1.311 18.471 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.531 17.503 -7.232 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -0.798 17.210 -6.948 1.00 0.00 H new ATOM 626 N LYS B 13 -0.040 16.794 -10.715 1.00 0.00 N ATOM 627 CA LYS B 13 1.281 16.756 -11.405 1.00 0.00 C ATOM 628 C LYS B 13 2.258 17.724 -10.733 1.00 0.00 C ATOM 629 O LYS B 13 2.684 18.699 -11.319 1.00 0.00 O ATOM 630 CB LYS B 13 0.992 17.197 -12.840 1.00 0.00 C ATOM 631 CG LYS B 13 0.475 16.003 -13.647 1.00 0.00 C ATOM 632 CD LYS B 13 1.395 15.761 -14.845 1.00 0.00 C ATOM 633 CE LYS B 13 1.396 16.998 -15.747 1.00 0.00 C ATOM 634 NZ LYS B 13 0.613 16.598 -16.948 1.00 0.00 N ATOM 0 H LYS B 13 -0.813 17.147 -11.279 1.00 0.00 H new ATOM 0 HA LYS B 13 1.738 15.767 -11.367 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.254 17.999 -12.844 1.00 0.00 H new ATOM 0 HB3 LYS B 13 1.897 17.595 -13.299 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.438 15.114 -13.018 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.542 16.194 -13.989 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.407 15.547 -14.502 1.00 0.00 H new ATOM 0 HD3 LYS B 13 1.058 14.889 -15.406 1.00 0.00 H new ATOM 0 HE2 LYS B 13 0.941 17.853 -15.246 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.411 17.289 -16.016 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 0.569 17.395 -17.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 1.073 15.787 -17.408 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -0.351 16.332 -16.661 1.00 0.00 H new ATOM 648 N ASP B 14 2.613 17.460 -9.506 1.00 0.00 N ATOM 649 CA ASP B 14 3.559 18.358 -8.786 1.00 0.00 C ATOM 650 C ASP B 14 3.672 17.926 -7.321 1.00 0.00 C ATOM 651 O ASP B 14 4.686 18.121 -6.682 1.00 0.00 O ATOM 652 CB ASP B 14 2.940 19.755 -8.889 1.00 0.00 C ATOM 653 CG ASP B 14 3.579 20.678 -7.848 1.00 0.00 C ATOM 654 OD1 ASP B 14 4.606 21.261 -8.154 1.00 0.00 O ATOM 655 OD2 ASP B 14 3.030 20.786 -6.765 1.00 0.00 O ATOM 0 H ASP B 14 2.287 16.657 -8.969 1.00 0.00 H new ATOM 0 HA ASP B 14 4.563 18.329 -9.208 1.00 0.00 H new ATOM 0 HB2 ASP B 14 3.093 20.158 -9.890 1.00 0.00 H new ATOM 0 HB3 ASP B 14 1.863 19.699 -8.728 1.00 0.00 H new ATOM 660 N GLY B 15 2.634 17.341 -6.786 1.00 0.00 N ATOM 661 CA GLY B 15 2.681 16.897 -5.364 1.00 0.00 C ATOM 662 C GLY B 15 3.103 15.428 -5.300 1.00 0.00 C ATOM 663 O GLY B 15 4.083 15.081 -4.672 1.00 0.00 O ATOM 0 H GLY B 15 1.757 17.152 -7.272 1.00 0.00 H new ATOM 0 HA2 GLY B 15 3.384 17.513 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY B 15 1.703 17.026 -4.900 1.00 0.00 H new HETATM 667 N CLH B 16 2.370 14.560 -5.945 1.00 0.00 N HETATM 668 CA CLH B 16 2.733 13.115 -5.918 1.00 0.00 C HETATM 669 CB CLH B 16 2.108 12.574 -4.631 1.00 0.00 C HETATM 670 CG CLH B 16 2.828 11.289 -4.215 1.00 0.00 C HETATM 671 CD CLH B 16 2.673 11.083 -2.707 1.00 0.00 C HETATM 672 CE CLH B 16 3.363 9.781 -2.296 1.00 0.00 C HETATM 673 NZ CLH B 16 2.639 9.332 -1.074 1.00 0.00 N HETATM 674 CH CLH B 16 2.260 8.088 -0.961 1.00 0.00 C HETATM 675 OI CLH B 16 2.488 7.278 -1.838 1.00 0.00 O HETATM 676 CI CLH B 16 1.521 7.688 0.316 1.00 0.00 C HETATM 677 NJ CLH B 16 0.605 6.549 0.026 1.00 0.00 N HETATM 678 CK CLH B 16 -0.366 6.265 0.850 1.00 0.00 C HETATM 679 OL CLH B 16 -0.599 6.871 1.877 1.00 0.00 O HETATM 680 C CLH B 16 2.150 12.398 -7.140 1.00 0.00 C HETATM 681 O CLH B 16 1.229 12.878 -7.770 1.00 0.00 O HETATM 682 CL CLH B 16 -1.108 5.184 0.421 1.00 0.00 C HETATM 0 HZ CLH B 16 2.440 9.996 -0.326 1.00 0.00 H new HETATM 0 HNJ CLH B 16 0.737 5.991 -0.817 1.00 0.00 H new HETATM 0 HI2 CLH B 16 2.236 7.406 1.089 1.00 0.00 H new HETATM 0 HI1 CLH B 16 0.954 8.535 0.701 1.00 0.00 H new HETATM 0 HG3 CLH B 16 2.414 10.437 -4.754 1.00 0.00 H new HETATM 0 HG2 CLH B 16 3.884 11.350 -4.478 1.00 0.00 H new HETATM 0 HE3 CLH B 16 3.302 9.035 -3.088 1.00 0.00 H new HETATM 0 HE2 CLH B 16 4.421 9.942 -2.091 1.00 0.00 H new HETATM 0 HD3 CLH B 16 3.109 11.924 -2.168 1.00 0.00 H new HETATM 0 HD2 CLH B 16 1.617 11.047 -2.441 1.00 0.00 H new HETATM 0 HB3 CLH B 16 2.182 13.318 -3.838 1.00 0.00 H new HETATM 0 HB2 CLH B 16 1.047 12.376 -4.785 1.00 0.00 H new HETATM 0 HA CLH B 16 3.812 12.960 -5.945 1.00 0.00 H new HETATM 698 N ABA B 17 2.681 11.254 -7.474 1.00 0.00 N HETATM 699 CA ABA B 17 2.165 10.497 -8.655 1.00 0.00 C HETATM 700 C ABA B 17 3.115 9.345 -8.992 1.00 0.00 C HETATM 701 O ABA B 17 4.283 9.553 -9.255 1.00 0.00 O HETATM 702 CB ABA B 17 2.125 11.508 -9.806 1.00 0.00 C HETATM 703 CG ABA B 17 3.377 12.388 -9.766 1.00 0.00 C HETATM 0 HG3 ABA B 17 4.264 11.763 -9.866 1.00 0.00 H new HETATM 0 HG2 ABA B 17 3.415 12.923 -8.817 1.00 0.00 H new HETATM 0 HG1 ABA B 17 3.344 13.105 -10.586 1.00 0.00 H new HETATM 0 HB3 ABA B 17 1.231 12.127 -9.728 1.00 0.00 H new HETATM 0 HB2 ABA B 17 2.067 10.985 -10.760 1.00 0.00 H new HETATM 0 HA ABA B 17 1.183 10.065 -8.466 1.00 0.00 H new HETATM 0 H ABA B 17 3.551 10.967 -7.025 1.00 0.00 H new ATOM 711 N GLN B 18 2.630 8.133 -8.986 1.00 0.00 N ATOM 712 CA GLN B 18 3.521 6.982 -9.307 1.00 0.00 C ATOM 713 C GLN B 18 2.740 5.664 -9.280 1.00 0.00 C ATOM 714 O GLN B 18 1.616 5.599 -8.816 1.00 0.00 O ATOM 715 CB GLN B 18 4.587 6.993 -8.211 1.00 0.00 C ATOM 716 CG GLN B 18 5.975 6.880 -8.845 1.00 0.00 C ATOM 717 CD GLN B 18 6.923 7.877 -8.178 1.00 0.00 C ATOM 718 OE1 GLN B 18 7.149 7.815 -6.985 1.00 0.00 O ATOM 719 NE2 GLN B 18 7.494 8.801 -8.902 1.00 0.00 N ATOM 0 H GLN B 18 1.662 7.891 -8.774 1.00 0.00 H new ATOM 0 HA GLN B 18 3.952 7.067 -10.305 1.00 0.00 H new ATOM 0 HB2 GLN B 18 4.515 7.912 -7.629 1.00 0.00 H new ATOM 0 HB3 GLN B 18 4.423 6.165 -7.521 1.00 0.00 H new ATOM 0 HG2 GLN B 18 6.357 5.866 -8.730 1.00 0.00 H new ATOM 0 HG3 GLN B 18 5.915 7.079 -9.915 1.00 0.00 H new ATOM 0 HE21 GLN B 18 7.305 8.854 -9.903 1.00 0.00 H new ATOM 0 HE22 GLN B 18 8.129 9.470 -8.467 1.00 0.00 H new ATOM 728 N THR B 19 3.337 4.612 -9.772 1.00 0.00 N ATOM 729 CA THR B 19 2.648 3.291 -9.778 1.00 0.00 C ATOM 730 C THR B 19 3.575 2.221 -9.190 1.00 0.00 C ATOM 731 O THR B 19 4.772 2.246 -9.392 1.00 0.00 O ATOM 732 CB THR B 19 2.347 3.006 -11.256 1.00 0.00 C ATOM 733 OG1 THR B 19 1.167 3.699 -11.637 1.00 0.00 O ATOM 734 CG2 THR B 19 2.150 1.504 -11.479 1.00 0.00 C ATOM 0 H THR B 19 4.276 4.612 -10.171 1.00 0.00 H new ATOM 0 HA THR B 19 1.738 3.288 -9.177 1.00 0.00 H new ATOM 0 HB THR B 19 3.188 3.345 -11.861 1.00 0.00 H new ATOM 0 HG1 THR B 19 0.556 3.080 -12.089 1.00 0.00 H new ATOM 0 HG21 THR B 19 1.937 1.317 -12.532 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.057 0.972 -11.192 1.00 0.00 H new ATOM 0 HG23 THR B 19 1.315 1.152 -10.872 1.00 0.00 H new ATOM 742 N PHE B 20 3.032 1.283 -8.463 1.00 0.00 N ATOM 743 CA PHE B 20 3.888 0.218 -7.867 1.00 0.00 C ATOM 744 C PHE B 20 4.010 -0.957 -8.841 1.00 0.00 C ATOM 745 O PHE B 20 3.172 -1.151 -9.699 1.00 0.00 O ATOM 746 CB PHE B 20 3.158 -0.218 -6.597 1.00 0.00 C ATOM 747 CG PHE B 20 3.260 0.859 -5.537 1.00 0.00 C ATOM 748 CD1 PHE B 20 2.790 2.156 -5.792 1.00 0.00 C ATOM 749 CD2 PHE B 20 3.820 0.554 -4.292 1.00 0.00 C ATOM 750 CE1 PHE B 20 2.883 3.141 -4.803 1.00 0.00 C ATOM 751 CE2 PHE B 20 3.912 1.540 -3.304 1.00 0.00 C ATOM 752 CZ PHE B 20 3.443 2.834 -3.559 1.00 0.00 C ATOM 0 H PHE B 20 2.036 1.208 -8.256 1.00 0.00 H new ATOM 0 HA PHE B 20 4.898 0.569 -7.654 1.00 0.00 H new ATOM 0 HB2 PHE B 20 2.110 -0.418 -6.822 1.00 0.00 H new ATOM 0 HB3 PHE B 20 3.587 -1.148 -6.223 1.00 0.00 H new ATOM 0 HD1 PHE B 20 2.356 2.394 -6.752 1.00 0.00 H new ATOM 0 HD2 PHE B 20 4.182 -0.444 -4.093 1.00 0.00 H new ATOM 0 HE1 PHE B 20 2.522 4.140 -5.000 1.00 0.00 H new ATOM 0 HE2 PHE B 20 4.345 1.303 -2.344 1.00 0.00 H new ATOM 0 HZ PHE B 20 3.514 3.595 -2.796 1.00 0.00 H new ATOM 762 N VAL B 21 5.045 -1.741 -8.718 1.00 0.00 N ATOM 763 CA VAL B 21 5.212 -2.900 -9.641 1.00 0.00 C ATOM 764 C VAL B 21 5.651 -4.141 -8.860 1.00 0.00 C ATOM 765 O VAL B 21 6.794 -4.270 -8.470 1.00 0.00 O ATOM 766 CB VAL B 21 6.302 -2.472 -10.623 1.00 0.00 C ATOM 767 CG1 VAL B 21 5.801 -1.294 -11.462 1.00 0.00 C ATOM 768 CG2 VAL B 21 7.551 -2.047 -9.846 1.00 0.00 C ATOM 0 H VAL B 21 5.781 -1.630 -8.020 1.00 0.00 H new ATOM 0 HA VAL B 21 4.283 -3.158 -10.150 1.00 0.00 H new ATOM 0 HB VAL B 21 6.547 -3.308 -11.279 1.00 0.00 H new ATOM 0 HG11 VAL B 21 6.579 -0.989 -12.162 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.911 -1.594 -12.016 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.555 -0.459 -10.806 1.00 0.00 H new ATOM 0 HG21 VAL B 21 8.329 -1.742 -10.546 1.00 0.00 H new ATOM 0 HG22 VAL B 21 7.305 -1.212 -9.190 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.910 -2.885 -9.248 1.00 0.00 H new ATOM 778 N TYR B 22 4.750 -5.057 -8.629 1.00 0.00 N ATOM 779 CA TYR B 22 5.116 -6.289 -7.872 1.00 0.00 C ATOM 780 C TYR B 22 3.955 -7.287 -7.889 1.00 0.00 C ATOM 781 O TYR B 22 4.155 -8.485 -7.901 1.00 0.00 O ATOM 782 CB TYR B 22 5.391 -5.812 -6.446 1.00 0.00 C ATOM 783 CG TYR B 22 6.874 -5.592 -6.266 1.00 0.00 C ATOM 784 CD1 TYR B 22 7.772 -6.637 -6.516 1.00 0.00 C ATOM 785 CD2 TYR B 22 7.351 -4.345 -5.847 1.00 0.00 C ATOM 786 CE1 TYR B 22 9.147 -6.434 -6.350 1.00 0.00 C ATOM 787 CE2 TYR B 22 8.726 -4.141 -5.680 1.00 0.00 C ATOM 788 CZ TYR B 22 9.625 -5.186 -5.931 1.00 0.00 C ATOM 789 OH TYR B 22 10.979 -4.986 -5.766 1.00 0.00 O ATOM 0 H TYR B 22 3.777 -5.006 -8.931 1.00 0.00 H new ATOM 0 HA TYR B 22 5.977 -6.797 -8.305 1.00 0.00 H new ATOM 0 HB2 TYR B 22 4.849 -4.887 -6.250 1.00 0.00 H new ATOM 0 HB3 TYR B 22 5.032 -6.550 -5.729 1.00 0.00 H new ATOM 0 HD1 TYR B 22 7.404 -7.600 -6.837 1.00 0.00 H new ATOM 0 HD2 TYR B 22 6.658 -3.540 -5.652 1.00 0.00 H new ATOM 0 HE1 TYR B 22 9.839 -7.240 -6.545 1.00 0.00 H new ATOM 0 HE2 TYR B 22 9.094 -3.178 -5.358 1.00 0.00 H new ATOM 0 HH TYR B 22 11.140 -4.065 -5.473 1.00 0.00 H new ATOM 799 N GLY B 23 2.742 -6.803 -7.885 1.00 0.00 N ATOM 800 CA GLY B 23 1.572 -7.727 -7.897 1.00 0.00 C ATOM 801 C GLY B 23 1.008 -7.826 -9.316 1.00 0.00 C ATOM 802 O GLY B 23 0.206 -8.688 -9.616 1.00 0.00 O ATOM 0 H GLY B 23 2.511 -5.810 -7.874 1.00 0.00 H new ATOM 0 HA2 GLY B 23 1.872 -8.714 -7.545 1.00 0.00 H new ATOM 0 HA3 GLY B 23 0.803 -7.365 -7.214 1.00 0.00 H new ATOM 806 N GLY B 24 1.419 -6.951 -10.192 1.00 0.00 N ATOM 807 CA GLY B 24 0.902 -6.996 -11.589 1.00 0.00 C ATOM 808 C GLY B 24 1.831 -7.850 -12.453 1.00 0.00 C ATOM 809 O GLY B 24 1.808 -9.063 -12.397 1.00 0.00 O ATOM 0 H GLY B 24 2.090 -6.207 -10.001 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -0.106 -7.411 -11.601 1.00 0.00 H new ATOM 0 HA3 GLY B 24 0.836 -5.987 -11.996 1.00 0.00 H new ATOM 813 N CYS B 25 2.651 -7.225 -13.255 1.00 0.00 N ATOM 814 CA CYS B 25 3.581 -8.002 -14.123 1.00 0.00 C ATOM 815 C CYS B 25 4.454 -7.052 -14.946 1.00 0.00 C ATOM 816 O CYS B 25 4.795 -5.975 -14.500 1.00 0.00 O ATOM 817 CB CYS B 25 2.674 -8.825 -15.038 1.00 0.00 C ATOM 818 SG CYS B 25 3.238 -10.545 -15.060 1.00 0.00 S ATOM 0 H CYS B 25 2.717 -6.211 -13.346 1.00 0.00 H new ATOM 0 HA CYS B 25 4.256 -8.632 -13.544 1.00 0.00 H new ATOM 0 HB2 CYS B 25 1.643 -8.774 -14.687 1.00 0.00 H new ATOM 0 HB3 CYS B 25 2.688 -8.414 -16.047 1.00 0.00 H new HETATM 823 N NH2 B 26 4.832 -7.408 -16.143 1.00 0.00 N TER 826 NH2 B 26