USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 407 hydrogens (57 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 4 CLGHNM2 : A 4 CLG NM : B 16 CLH CL :(H bumps) USER MOD NoAdj-H: A 4 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 17 ABA HN2 : B 17 ABA N : B 16 CLH C :(H bumps) USER MOD Set 1.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 11 ASN : amide:sc= -6.53! C(o=-6.5!,f=-16!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -8.55! C(o=-8.5!,f=-13!) USER MOD Single : A 19 THR OG1 : rot 146:sc= -1.26! 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= -3.8! USER MOD Single : B 11 ASN : amide:sc= -3.8! C(o=-3.8!,f=-12!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.65) USER MOD Single : B 19 THR OG1 : rot -77:sc= -1.56 USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 CA MPT A 1 -9.258 -16.061 -8.177 1.00 0.00 C HETATM 2 C MPT A 1 -8.806 -15.393 -9.482 1.00 0.00 C HETATM 3 O MPT A 1 -9.504 -15.420 -10.476 1.00 0.00 O HETATM 4 CB MPT A 1 -8.049 -16.416 -7.318 1.00 0.00 C HETATM 5 SG MPT A 1 -7.670 -15.035 -6.211 1.00 0.00 S HETATM 0 HB2 MPT A 1 -8.253 -17.316 -6.738 1.00 0.00 H new HETATM 0 HB1 MPT A 1 -7.190 -16.634 -7.952 1.00 0.00 H new HETATM 0 HA2 MPT A 1 -9.919 -15.391 -7.627 1.00 0.00 H new HETATM 0 HA1 MPT A 1 -9.831 -16.961 -8.401 1.00 0.00 H new ATOM 10 N LYS A 2 -7.646 -14.792 -9.485 1.00 0.00 N ATOM 11 CA LYS A 2 -7.157 -14.124 -10.725 1.00 0.00 C ATOM 12 C LYS A 2 -8.172 -13.078 -11.192 1.00 0.00 C ATOM 13 O LYS A 2 -8.524 -13.014 -12.353 1.00 0.00 O ATOM 14 CB LYS A 2 -7.025 -15.246 -11.756 1.00 0.00 C ATOM 15 CG LYS A 2 -6.011 -16.279 -11.260 1.00 0.00 C ATOM 16 CD LYS A 2 -5.968 -17.459 -12.232 1.00 0.00 C ATOM 17 CE LYS A 2 -5.354 -18.675 -11.533 1.00 0.00 C ATOM 18 NZ LYS A 2 -6.515 -19.535 -11.169 1.00 0.00 N ATOM 0 H LYS A 2 -7.017 -14.735 -8.684 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.212 -13.604 -10.571 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.993 -15.720 -11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.705 -14.838 -12.714 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.023 -15.825 -11.179 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.286 -16.625 -10.264 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -6.974 -17.695 -12.579 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.381 -17.197 -13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.663 -19.202 -12.191 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.789 -18.379 -10.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.175 -20.390 -10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.152 -19.009 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.030 -19.807 -12.031 1.00 0.00 H new ATOM 32 N ALA A 3 -8.644 -12.258 -10.294 1.00 0.00 N ATOM 33 CA ALA A 3 -9.635 -11.216 -10.680 1.00 0.00 C ATOM 34 C ALA A 3 -8.996 -9.828 -10.600 1.00 0.00 C ATOM 35 O ALA A 3 -9.393 -9.000 -9.805 1.00 0.00 O ATOM 36 CB ALA A 3 -10.767 -11.347 -9.659 1.00 0.00 C ATOM 0 H ALA A 3 -8.385 -12.265 -9.307 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.993 -11.343 -11.702 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.540 -10.610 -9.876 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.194 -12.348 -9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.374 -11.176 -8.657 1.00 0.00 H new HETATM 42 N CLG A 4 -8.008 -9.575 -11.416 1.00 0.00 N HETATM 43 CA CLG A 4 -7.332 -8.244 -11.397 1.00 0.00 C HETATM 44 CB CLG A 4 -6.686 -8.111 -12.778 1.00 0.00 C HETATM 45 CG CLG A 4 -6.273 -6.657 -13.014 1.00 0.00 C HETATM 46 CD CLG A 4 -5.640 -6.524 -14.401 1.00 0.00 C HETATM 47 CE CLG A 4 -6.726 -6.637 -15.472 1.00 0.00 C HETATM 48 NZ CLG A 4 -7.089 -5.230 -15.801 1.00 0.00 N HETATM 49 CH CLG A 4 -7.022 -4.810 -17.034 1.00 0.00 C HETATM 50 OI CLG A 4 -6.666 -5.545 -17.933 1.00 0.00 O HETATM 51 CI CLG A 4 -7.409 -3.355 -17.306 1.00 0.00 C HETATM 52 NJ CLG A 4 -6.479 -2.771 -18.315 1.00 0.00 N HETATM 53 CK CLG A 4 -6.351 -1.475 -18.412 1.00 0.00 C HETATM 54 OL CLG A 4 -6.979 -0.725 -17.691 1.00 0.00 O HETATM 55 C CLG A 4 -8.356 -7.126 -11.177 1.00 0.00 C HETATM 56 O CLG A 4 -8.966 -6.637 -12.106 1.00 0.00 O HETATM 57 CL CLG A 4 -5.381 -0.937 -19.466 1.00 0.00 C HETATM 58 OM CLG A 4 -5.377 0.482 -19.421 1.00 0.00 O HETATM 59 NM CLG A 4 -4.484 1.006 -20.392 1.00 0.00 N HETATM 0 HZ CLG A 4 -7.390 -4.595 -15.062 1.00 0.00 H new HETATM 0 HNJ CLG A 4 -5.943 -3.384 -18.929 1.00 0.00 H new HETATM 0 HL2 CLG A 4 -4.377 -1.321 -19.282 1.00 0.00 H new HETATM 0 HL1 CLG A 4 -5.677 -1.280 -20.457 1.00 0.00 H new HETATM 0 HI2 CLG A 4 -8.435 -3.303 -17.669 1.00 0.00 H new HETATM 0 HI1 CLG A 4 -7.368 -2.778 -16.382 1.00 0.00 H new HETATM 0 HG3 CLG A 4 -7.142 -6.004 -12.935 1.00 0.00 H new HETATM 0 HG2 CLG A 4 -5.565 -6.340 -12.248 1.00 0.00 H new HETATM 0 HE3 CLG A 4 -6.360 -7.166 -16.352 1.00 0.00 H new HETATM 0 HE2 CLG A 4 -7.589 -7.191 -15.103 1.00 0.00 H new HETATM 0 HD3 CLG A 4 -5.127 -5.566 -14.488 1.00 0.00 H new HETATM 0 HD2 CLG A 4 -4.890 -7.301 -14.546 1.00 0.00 H new HETATM 0 HB3 CLG A 4 -5.815 -8.763 -12.847 1.00 0.00 H new HETATM 0 HB2 CLG A 4 -7.386 -8.431 -13.550 1.00 0.00 H new HETATM 0 HA CLG A 4 -6.602 -8.166 -10.591 1.00 0.00 H new HETATM 0 H CLG A 4 -7.959 -10.160 -12.250 1.00 0.00 H new ATOM 76 N ILE A 5 -8.554 -6.725 -9.950 1.00 0.00 N ATOM 77 CA ILE A 5 -9.542 -5.644 -9.667 1.00 0.00 C ATOM 78 C ILE A 5 -8.844 -4.281 -9.632 1.00 0.00 C ATOM 79 O ILE A 5 -7.636 -4.190 -9.726 1.00 0.00 O ATOM 80 CB ILE A 5 -10.118 -5.985 -8.293 1.00 0.00 C ATOM 81 CG1 ILE A 5 -11.309 -5.070 -7.997 1.00 0.00 C ATOM 82 CG2 ILE A 5 -9.043 -5.782 -7.224 1.00 0.00 C ATOM 83 CD1 ILE A 5 -12.095 -5.625 -6.808 1.00 0.00 C ATOM 0 H ILE A 5 -8.074 -7.099 -9.131 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.316 -5.583 -10.432 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.447 -7.024 -8.286 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -10.960 -4.061 -7.777 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.954 -5.000 -8.873 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.454 -6.025 -6.244 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.194 -6.433 -7.433 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.714 -4.743 -7.232 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.943 -4.974 -6.597 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -12.456 -6.626 -7.046 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.447 -5.672 -5.933 1.00 0.00 H new ATOM 95 N ILE A 6 -9.595 -3.222 -9.499 1.00 0.00 N ATOM 96 CA ILE A 6 -8.971 -1.869 -9.458 1.00 0.00 C ATOM 97 C ILE A 6 -9.608 -1.022 -8.354 1.00 0.00 C ATOM 98 O ILE A 6 -10.363 -0.107 -8.618 1.00 0.00 O ATOM 99 CB ILE A 6 -9.255 -1.259 -10.831 1.00 0.00 C ATOM 100 CG1 ILE A 6 -8.669 -2.160 -11.919 1.00 0.00 C ATOM 101 CG2 ILE A 6 -8.614 0.127 -10.916 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.090 -1.639 -13.294 1.00 0.00 C ATOM 0 H ILE A 6 -10.612 -3.235 -9.417 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.903 -1.916 -9.244 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.332 -1.170 -10.974 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.582 -2.180 -11.843 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.017 -3.184 -11.784 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.816 0.562 -11.895 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.031 0.769 -10.140 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.537 0.039 -10.774 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.673 -2.281 -14.070 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.178 -1.642 -13.367 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.720 -0.622 -13.427 1.00 0.00 H new ATOM 114 N ARG A 7 -9.311 -1.317 -7.118 1.00 0.00 N ATOM 115 CA ARG A 7 -9.900 -0.524 -6.001 1.00 0.00 C ATOM 116 C ARG A 7 -9.507 0.949 -6.142 1.00 0.00 C ATOM 117 O ARG A 7 -8.581 1.419 -5.511 1.00 0.00 O ATOM 118 CB ARG A 7 -9.298 -1.124 -4.729 1.00 0.00 C ATOM 119 CG ARG A 7 -9.669 -0.256 -3.526 1.00 0.00 C ATOM 120 CD ARG A 7 -8.671 -0.498 -2.392 1.00 0.00 C ATOM 121 NE ARG A 7 -9.007 0.521 -1.360 1.00 0.00 N ATOM 122 CZ ARG A 7 -8.390 1.671 -1.354 1.00 0.00 C ATOM 123 NH1 ARG A 7 -7.817 2.109 -2.442 1.00 0.00 N ATOM 124 NH2 ARG A 7 -8.346 2.383 -0.261 1.00 0.00 N ATOM 0 H ARG A 7 -8.687 -2.072 -6.833 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.989 -0.564 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.666 -2.140 -4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.214 -1.188 -4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.665 0.797 -3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.679 -0.492 -3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.763 -1.508 -1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.644 -0.385 -2.739 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.719 0.320 -0.658 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.852 1.553 -3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.335 3.008 -2.438 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.794 2.041 0.589 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.864 3.282 -0.257 1.00 0.00 H new ATOM 138 N TYR A 8 -10.202 1.681 -6.968 1.00 0.00 N ATOM 139 CA TYR A 8 -9.868 3.122 -7.152 1.00 0.00 C ATOM 140 C TYR A 8 -11.046 3.995 -6.696 1.00 0.00 C ATOM 141 O TYR A 8 -12.192 3.602 -6.794 1.00 0.00 O ATOM 142 CB TYR A 8 -9.580 3.257 -8.662 1.00 0.00 C ATOM 143 CG TYR A 8 -10.614 4.125 -9.349 1.00 0.00 C ATOM 144 CD1 TYR A 8 -11.818 3.563 -9.789 1.00 0.00 C ATOM 145 CD2 TYR A 8 -10.366 5.489 -9.545 1.00 0.00 C ATOM 146 CE1 TYR A 8 -12.774 4.364 -10.426 1.00 0.00 C ATOM 147 CE2 TYR A 8 -11.322 6.289 -10.181 1.00 0.00 C ATOM 148 CZ TYR A 8 -12.526 5.727 -10.621 1.00 0.00 C ATOM 149 OH TYR A 8 -13.468 6.517 -11.249 1.00 0.00 O ATOM 0 H TYR A 8 -10.988 1.344 -7.524 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.014 3.452 -6.560 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.589 3.686 -8.807 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.570 2.269 -9.121 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.010 2.511 -9.637 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.437 5.924 -9.206 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.702 3.930 -10.767 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.131 7.341 -10.332 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.139 7.438 -11.303 1.00 0.00 H new ATOM 159 N PHE A 9 -10.775 5.172 -6.196 1.00 0.00 N ATOM 160 CA PHE A 9 -11.891 6.051 -5.732 1.00 0.00 C ATOM 161 C PHE A 9 -11.594 7.521 -6.041 1.00 0.00 C ATOM 162 O PHE A 9 -11.651 8.371 -5.174 1.00 0.00 O ATOM 163 CB PHE A 9 -11.969 5.820 -4.224 1.00 0.00 C ATOM 164 CG PHE A 9 -12.099 4.341 -3.958 1.00 0.00 C ATOM 165 CD1 PHE A 9 -13.211 3.640 -4.440 1.00 0.00 C ATOM 166 CD2 PHE A 9 -11.107 3.668 -3.238 1.00 0.00 C ATOM 167 CE1 PHE A 9 -13.332 2.266 -4.199 1.00 0.00 C ATOM 168 CE2 PHE A 9 -11.226 2.294 -2.998 1.00 0.00 C ATOM 169 CZ PHE A 9 -12.339 1.593 -3.478 1.00 0.00 C ATOM 0 H PHE A 9 -9.838 5.561 -6.089 1.00 0.00 H new ATOM 0 HA PHE A 9 -12.830 5.818 -6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -11.077 6.213 -3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -12.822 6.354 -3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -13.976 4.159 -4.998 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.249 4.208 -2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -14.191 1.726 -4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.459 1.775 -2.443 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.431 0.533 -3.292 1.00 0.00 H new ATOM 179 N TYR A 10 -11.297 7.830 -7.272 1.00 0.00 N ATOM 180 CA TYR A 10 -11.016 9.248 -7.642 1.00 0.00 C ATOM 181 C TYR A 10 -9.841 9.801 -6.838 1.00 0.00 C ATOM 182 O TYR A 10 -9.285 9.139 -5.986 1.00 0.00 O ATOM 183 CB TYR A 10 -12.309 9.999 -7.315 1.00 0.00 C ATOM 184 CG TYR A 10 -12.210 11.426 -7.797 1.00 0.00 C ATOM 185 CD1 TYR A 10 -11.829 11.698 -9.116 1.00 0.00 C ATOM 186 CD2 TYR A 10 -12.496 12.479 -6.920 1.00 0.00 C ATOM 187 CE1 TYR A 10 -11.735 13.022 -9.559 1.00 0.00 C ATOM 188 CE2 TYR A 10 -12.402 13.804 -7.363 1.00 0.00 C ATOM 189 CZ TYR A 10 -12.022 14.075 -8.682 1.00 0.00 C ATOM 190 OH TYR A 10 -11.928 15.381 -9.118 1.00 0.00 O ATOM 0 H TYR A 10 -11.236 7.162 -8.040 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.736 9.352 -8.690 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.157 9.504 -7.788 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -12.489 9.981 -6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -11.607 10.886 -9.792 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -12.789 12.269 -5.902 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -11.441 13.232 -10.577 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -12.623 14.617 -6.687 1.00 0.00 H new ATOM 0 HH TYR A 10 -12.162 15.988 -8.385 1.00 0.00 H new ATOM 200 N ASN A 11 -9.439 11.006 -7.138 1.00 0.00 N ATOM 201 CA ASN A 11 -8.276 11.605 -6.435 1.00 0.00 C ATOM 202 C ASN A 11 -8.697 12.388 -5.195 1.00 0.00 C ATOM 203 O ASN A 11 -7.971 12.438 -4.232 1.00 0.00 O ATOM 204 CB ASN A 11 -7.654 12.549 -7.463 1.00 0.00 C ATOM 205 CG ASN A 11 -8.534 13.790 -7.621 1.00 0.00 C ATOM 206 OD1 ASN A 11 -9.744 13.701 -7.553 1.00 0.00 O ATOM 207 ND2 ASN A 11 -7.976 14.950 -7.831 1.00 0.00 N ATOM 0 H ASN A 11 -9.871 11.602 -7.844 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.588 10.837 -6.083 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.653 12.839 -7.145 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.550 12.041 -8.422 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.555 15.783 -7.938 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.960 15.025 -7.888 1.00 0.00 H new ATOM 214 N ALA A 12 -9.843 13.011 -5.224 1.00 0.00 N ATOM 215 CA ALA A 12 -10.303 13.821 -4.053 1.00 0.00 C ATOM 216 C ALA A 12 -9.748 13.280 -2.727 1.00 0.00 C ATOM 217 O ALA A 12 -9.175 14.010 -1.940 1.00 0.00 O ATOM 218 CB ALA A 12 -11.828 13.701 -4.072 1.00 0.00 C ATOM 0 H ALA A 12 -10.488 12.995 -6.014 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.955 14.851 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.248 14.269 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.212 14.096 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.112 12.653 -3.975 1.00 0.00 H new ATOM 224 N LYS A 13 -9.900 12.010 -2.477 1.00 0.00 N ATOM 225 CA LYS A 13 -9.386 11.427 -1.205 1.00 0.00 C ATOM 226 C LYS A 13 -7.987 11.956 -0.912 1.00 0.00 C ATOM 227 O LYS A 13 -7.811 12.923 -0.199 1.00 0.00 O ATOM 228 CB LYS A 13 -9.352 9.918 -1.445 1.00 0.00 C ATOM 229 CG LYS A 13 -10.501 9.253 -0.685 1.00 0.00 C ATOM 230 CD LYS A 13 -10.134 9.135 0.795 1.00 0.00 C ATOM 231 CE LYS A 13 -8.819 8.364 0.935 1.00 0.00 C ATOM 232 NZ LYS A 13 -9.065 7.381 2.027 1.00 0.00 N ATOM 0 H LYS A 13 -10.360 11.347 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.009 11.688 -0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.437 9.707 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.398 9.508 -1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.413 9.839 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.702 8.266 -1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.035 10.127 1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.928 8.622 1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.554 7.862 0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.994 9.032 1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.208 6.813 2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.308 7.888 2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.851 6.755 1.760 1.00 0.00 H new ATOM 246 N ASP A 14 -6.990 11.334 -1.467 1.00 0.00 N ATOM 247 CA ASP A 14 -5.600 11.807 -1.232 1.00 0.00 C ATOM 248 C ASP A 14 -5.264 12.917 -2.226 1.00 0.00 C ATOM 249 O ASP A 14 -4.138 13.365 -2.315 1.00 0.00 O ATOM 250 CB ASP A 14 -4.715 10.583 -1.468 1.00 0.00 C ATOM 251 CG ASP A 14 -4.787 9.656 -0.254 1.00 0.00 C ATOM 252 OD1 ASP A 14 -5.871 9.501 0.285 1.00 0.00 O ATOM 253 OD2 ASP A 14 -3.758 9.118 0.118 1.00 0.00 O ATOM 0 H ASP A 14 -7.076 10.518 -2.073 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.459 12.214 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.041 10.053 -2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.685 10.894 -1.640 1.00 0.00 H new ATOM 258 N GLY A 15 -6.233 13.360 -2.983 1.00 0.00 N ATOM 259 CA GLY A 15 -5.962 14.434 -3.979 1.00 0.00 C ATOM 260 C GLY A 15 -5.512 13.812 -5.309 1.00 0.00 C ATOM 261 O GLY A 15 -5.562 14.446 -6.343 1.00 0.00 O ATOM 0 H GLY A 15 -7.196 13.025 -2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.859 15.034 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.190 15.105 -3.602 1.00 0.00 H new ATOM 265 N LEU A 16 -5.072 12.579 -5.293 1.00 0.00 N ATOM 266 CA LEU A 16 -4.621 11.929 -6.565 1.00 0.00 C ATOM 267 C LEU A 16 -5.434 10.656 -6.828 1.00 0.00 C ATOM 268 O LEU A 16 -5.552 9.799 -5.975 1.00 0.00 O ATOM 269 CB LEU A 16 -3.136 11.598 -6.365 1.00 0.00 C ATOM 270 CG LEU A 16 -2.879 11.153 -4.924 1.00 0.00 C ATOM 271 CD1 LEU A 16 -1.704 10.174 -4.900 1.00 0.00 C ATOM 272 CD2 LEU A 16 -2.534 12.373 -4.065 1.00 0.00 C ATOM 0 H LEU A 16 -5.005 11.995 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.766 12.581 -7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.836 10.809 -7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.527 12.472 -6.597 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.772 10.669 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.518 9.854 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.942 9.305 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.814 10.664 -5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.351 12.055 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.640 12.855 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.365 13.078 -4.084 1.00 0.00 H new HETATM 284 N ABA A 17 -6.015 10.544 -8.001 1.00 0.00 N HETATM 285 CA ABA A 17 -6.850 9.345 -8.342 1.00 0.00 C HETATM 286 C ABA A 17 -6.285 8.079 -7.691 1.00 0.00 C HETATM 287 O ABA A 17 -5.273 7.553 -8.109 1.00 0.00 O HETATM 288 CB ABA A 17 -6.773 9.238 -9.863 1.00 0.00 C HETATM 289 CG ABA A 17 -8.153 9.517 -10.463 1.00 0.00 C HETATM 0 HN2 ABA A 17 -6.269 11.463 -8.364 1.00 0.00 H new HETATM 0 HG3 ABA A 17 -8.474 10.521 -10.185 1.00 0.00 H new HETATM 0 HG2 ABA A 17 -8.869 8.788 -10.083 1.00 0.00 H new HETATM 0 HG1 ABA A 17 -8.100 9.441 -11.549 1.00 0.00 H new HETATM 0 HB3 ABA A 17 -6.433 8.243 -10.152 1.00 0.00 H new HETATM 0 HB2 ABA A 17 -6.045 9.949 -10.252 1.00 0.00 H new HETATM 0 HA ABA A 17 -7.873 9.447 -7.981 1.00 0.00 H new ATOM 297 N GLN A 18 -6.935 7.583 -6.673 1.00 0.00 N ATOM 298 CA GLN A 18 -6.438 6.348 -6.000 1.00 0.00 C ATOM 299 C GLN A 18 -6.812 5.116 -6.824 1.00 0.00 C ATOM 300 O GLN A 18 -7.912 5.009 -7.328 1.00 0.00 O ATOM 301 CB GLN A 18 -7.150 6.316 -4.647 1.00 0.00 C ATOM 302 CG GLN A 18 -7.098 7.703 -4.005 1.00 0.00 C ATOM 303 CD GLN A 18 -6.764 7.560 -2.519 1.00 0.00 C ATOM 304 OE1 GLN A 18 -5.789 8.112 -2.048 1.00 0.00 O ATOM 305 NE2 GLN A 18 -7.535 6.836 -1.756 1.00 0.00 N ATOM 0 H GLN A 18 -7.788 7.979 -6.278 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.354 6.347 -5.890 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.186 6.004 -4.778 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.676 5.584 -3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.347 8.318 -4.501 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.056 8.209 -4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.353 6.373 -2.151 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.320 6.733 -0.764 1.00 0.00 H new ATOM 314 N THR A 19 -5.908 4.184 -6.964 1.00 0.00 N ATOM 315 CA THR A 19 -6.217 2.957 -7.756 1.00 0.00 C ATOM 316 C THR A 19 -5.375 1.776 -7.260 1.00 0.00 C ATOM 317 O THR A 19 -4.275 1.549 -7.721 1.00 0.00 O ATOM 318 CB THR A 19 -5.845 3.313 -9.196 1.00 0.00 C ATOM 319 OG1 THR A 19 -6.791 4.239 -9.712 1.00 0.00 O ATOM 320 CG2 THR A 19 -5.842 2.045 -10.051 1.00 0.00 C ATOM 0 H THR A 19 -4.970 4.218 -6.565 1.00 0.00 H new ATOM 0 HA THR A 19 -7.262 2.660 -7.665 1.00 0.00 H new ATOM 0 HB THR A 19 -4.852 3.762 -9.217 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.341 4.861 -10.321 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.577 2.299 -11.077 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.114 1.339 -9.652 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.833 1.592 -10.034 1.00 0.00 H new ATOM 328 N PHE A 20 -5.887 1.022 -6.328 1.00 0.00 N ATOM 329 CA PHE A 20 -5.116 -0.144 -5.807 1.00 0.00 C ATOM 330 C PHE A 20 -5.430 -1.394 -6.634 1.00 0.00 C ATOM 331 O PHE A 20 -6.575 -1.760 -6.812 1.00 0.00 O ATOM 332 CB PHE A 20 -5.593 -0.319 -4.364 1.00 0.00 C ATOM 333 CG PHE A 20 -5.160 -1.672 -3.851 1.00 0.00 C ATOM 334 CD1 PHE A 20 -3.863 -2.131 -4.100 1.00 0.00 C ATOM 335 CD2 PHE A 20 -6.056 -2.464 -3.124 1.00 0.00 C ATOM 336 CE1 PHE A 20 -3.460 -3.383 -3.623 1.00 0.00 C ATOM 337 CE2 PHE A 20 -5.655 -3.718 -2.647 1.00 0.00 C ATOM 338 CZ PHE A 20 -4.356 -4.177 -2.897 1.00 0.00 C ATOM 0 H PHE A 20 -6.804 1.161 -5.904 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.039 0.011 -5.863 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.180 0.470 -3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.678 -0.230 -4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.172 -1.519 -4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.057 -2.108 -2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.458 -3.737 -3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.347 -4.330 -2.087 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.045 -5.144 -2.530 1.00 0.00 H new ATOM 348 N VAL A 21 -4.423 -2.048 -7.147 1.00 0.00 N ATOM 349 CA VAL A 21 -4.671 -3.270 -7.966 1.00 0.00 C ATOM 350 C VAL A 21 -3.642 -4.354 -7.637 1.00 0.00 C ATOM 351 O VAL A 21 -2.576 -4.080 -7.124 1.00 0.00 O ATOM 352 CB VAL A 21 -4.511 -2.811 -9.416 1.00 0.00 C ATOM 353 CG1 VAL A 21 -4.600 -4.020 -10.347 1.00 0.00 C ATOM 354 CG2 VAL A 21 -5.622 -1.818 -9.763 1.00 0.00 C ATOM 0 H VAL A 21 -3.442 -1.790 -7.035 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.655 -3.699 -7.774 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.541 -2.329 -9.538 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.486 -3.693 -11.380 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.808 -4.728 -10.101 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.569 -4.503 -10.224 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.508 -1.491 -10.796 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.592 -2.300 -9.640 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.559 -0.955 -9.100 1.00 0.00 H new ATOM 364 N TYR A 22 -3.952 -5.585 -7.937 1.00 0.00 N ATOM 365 CA TYR A 22 -2.991 -6.689 -7.652 1.00 0.00 C ATOM 366 C TYR A 22 -3.261 -7.873 -8.589 1.00 0.00 C ATOM 367 O TYR A 22 -4.270 -8.544 -8.493 1.00 0.00 O ATOM 368 CB TYR A 22 -3.231 -7.068 -6.185 1.00 0.00 C ATOM 369 CG TYR A 22 -4.490 -7.894 -6.063 1.00 0.00 C ATOM 370 CD1 TYR A 22 -5.728 -7.342 -6.411 1.00 0.00 C ATOM 371 CD2 TYR A 22 -4.416 -9.214 -5.602 1.00 0.00 C ATOM 372 CE1 TYR A 22 -6.893 -8.111 -6.298 1.00 0.00 C ATOM 373 CE2 TYR A 22 -5.581 -9.983 -5.489 1.00 0.00 C ATOM 374 CZ TYR A 22 -6.819 -9.431 -5.837 1.00 0.00 C ATOM 375 OH TYR A 22 -7.967 -10.188 -5.728 1.00 0.00 O ATOM 0 H TYR A 22 -4.830 -5.875 -8.368 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.955 -6.393 -7.816 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.379 -7.630 -5.802 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.317 -6.167 -5.578 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.785 -6.324 -6.766 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.460 -9.639 -5.333 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.849 -7.686 -6.567 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.524 -11.001 -5.134 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.740 -11.081 -5.394 1.00 0.00 H new ATOM 385 N GLY A 23 -2.372 -8.125 -9.510 1.00 0.00 N ATOM 386 CA GLY A 23 -2.587 -9.255 -10.457 1.00 0.00 C ATOM 387 C GLY A 23 -1.581 -10.370 -10.165 1.00 0.00 C ATOM 388 O GLY A 23 -0.387 -10.190 -10.294 1.00 0.00 O ATOM 0 H GLY A 23 -1.509 -7.599 -9.648 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.604 -9.635 -10.360 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.473 -8.908 -11.484 1.00 0.00 H new ATOM 392 N GLY A 24 -2.053 -11.523 -9.777 1.00 0.00 N ATOM 393 CA GLY A 24 -1.119 -12.647 -9.483 1.00 0.00 C ATOM 394 C GLY A 24 -1.649 -13.466 -8.304 1.00 0.00 C ATOM 395 O GLY A 24 -0.985 -13.624 -7.300 1.00 0.00 O ATOM 0 H GLY A 24 -3.043 -11.735 -9.651 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.013 -13.283 -10.362 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.128 -12.257 -9.251 1.00 0.00 H new ATOM 399 N CYS A 25 -2.838 -13.989 -8.418 1.00 0.00 N ATOM 400 CA CYS A 25 -3.403 -14.800 -7.301 1.00 0.00 C ATOM 401 C CYS A 25 -3.069 -16.281 -7.501 1.00 0.00 C ATOM 402 O CYS A 25 -3.624 -16.935 -8.361 1.00 0.00 O ATOM 403 CB CYS A 25 -4.914 -14.578 -7.374 1.00 0.00 C ATOM 404 SG CYS A 25 -5.687 -15.208 -5.863 1.00 0.00 S ATOM 0 H CYS A 25 -3.442 -13.891 -9.234 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.995 -14.510 -6.333 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.132 -13.516 -7.492 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.326 -15.086 -8.246 1.00 0.00 H new HETATM 409 N NH2 A 26 -2.174 -16.842 -6.734 1.00 0.00 N TER 412 NH2 A 26 HETATM 413 CA MPT B 1 8.904 -13.701 -8.609 1.00 0.00 C HETATM 414 C MPT B 1 8.145 -14.105 -7.341 1.00 0.00 C HETATM 415 O MPT B 1 7.961 -15.274 -7.061 1.00 0.00 O HETATM 416 CB MPT B 1 8.563 -14.654 -9.751 1.00 0.00 C HETATM 417 SG MPT B 1 8.303 -13.706 -11.270 1.00 0.00 S HETATM 0 HB2 MPT B 1 9.370 -15.373 -9.892 1.00 0.00 H new HETATM 0 HB1 MPT B 1 7.667 -15.224 -9.508 1.00 0.00 H new HETATM 0 HA2 MPT B 1 8.644 -12.680 -8.888 1.00 0.00 H new HETATM 0 HA1 MPT B 1 9.977 -13.717 -8.420 1.00 0.00 H new ATOM 422 N LYS B 2 7.705 -13.149 -6.572 1.00 0.00 N ATOM 423 CA LYS B 2 6.963 -13.465 -5.331 1.00 0.00 C ATOM 424 C LYS B 2 5.620 -12.743 -5.343 1.00 0.00 C ATOM 425 O LYS B 2 4.808 -12.924 -6.227 1.00 0.00 O ATOM 426 CB LYS B 2 7.880 -12.965 -4.209 1.00 0.00 C ATOM 427 CG LYS B 2 7.409 -13.534 -2.869 1.00 0.00 C ATOM 428 CD LYS B 2 8.193 -14.807 -2.548 1.00 0.00 C ATOM 429 CE LYS B 2 9.685 -14.477 -2.448 1.00 0.00 C ATOM 430 NZ LYS B 2 10.271 -15.587 -1.645 1.00 0.00 N ATOM 0 H LYS B 2 7.832 -12.154 -6.756 1.00 0.00 H new ATOM 0 HA LYS B 2 6.734 -14.524 -5.211 1.00 0.00 H new ATOM 0 HB2 LYS B 2 8.908 -13.269 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS B 2 7.871 -11.876 -4.176 1.00 0.00 H new ATOM 0 HG2 LYS B 2 7.553 -12.797 -2.079 1.00 0.00 H new ATOM 0 HG3 LYS B 2 6.342 -13.753 -2.910 1.00 0.00 H new ATOM 0 HD2 LYS B 2 7.841 -15.237 -1.610 1.00 0.00 H new ATOM 0 HD3 LYS B 2 8.026 -15.555 -3.323 1.00 0.00 H new ATOM 0 HE2 LYS B 2 10.144 -14.419 -3.435 1.00 0.00 H new ATOM 0 HE3 LYS B 2 9.845 -13.513 -1.965 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 11.293 -15.432 -1.533 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 9.820 -15.614 -0.708 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 10.109 -16.491 -2.133 1.00 0.00 H new ATOM 444 N ALA B 3 5.389 -11.934 -4.372 1.00 0.00 N ATOM 445 CA ALA B 3 4.103 -11.183 -4.299 1.00 0.00 C ATOM 446 C ALA B 3 3.746 -10.607 -5.672 1.00 0.00 C ATOM 447 O ALA B 3 4.540 -10.630 -6.591 1.00 0.00 O ATOM 448 CB ALA B 3 4.355 -10.059 -3.293 1.00 0.00 C ATOM 0 H ALA B 3 6.038 -11.749 -3.607 1.00 0.00 H new ATOM 0 HA ALA B 3 3.271 -11.819 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA B 3 3.451 -9.459 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA B 3 4.625 -10.488 -2.328 1.00 0.00 H new ATOM 0 HB3 ALA B 3 5.169 -9.428 -3.649 1.00 0.00 H new ATOM 454 N ARG B 4 2.556 -10.090 -5.816 1.00 0.00 N ATOM 455 CA ARG B 4 2.144 -9.511 -7.131 1.00 0.00 C ATOM 456 C ARG B 4 1.046 -8.464 -6.923 1.00 0.00 C ATOM 457 O ARG B 4 0.105 -8.374 -7.688 1.00 0.00 O ATOM 458 CB ARG B 4 1.615 -10.685 -7.978 1.00 0.00 C ATOM 459 CG ARG B 4 1.234 -11.878 -7.090 1.00 0.00 C ATOM 460 CD ARG B 4 0.168 -11.451 -6.077 1.00 0.00 C ATOM 461 NE ARG B 4 0.493 -12.209 -4.837 1.00 0.00 N ATOM 462 CZ ARG B 4 -0.431 -12.413 -3.937 1.00 0.00 C ATOM 463 NH1 ARG B 4 -0.718 -11.478 -3.073 1.00 0.00 N ATOM 464 NH2 ARG B 4 -1.065 -13.552 -3.901 1.00 0.00 N ATOM 0 H ARG B 4 1.850 -10.043 -5.081 1.00 0.00 H new ATOM 0 HA ARG B 4 2.979 -9.016 -7.627 1.00 0.00 H new ATOM 0 HB2 ARG B 4 0.746 -10.362 -8.551 1.00 0.00 H new ATOM 0 HB3 ARG B 4 2.375 -10.991 -8.697 1.00 0.00 H new ATOM 0 HG2 ARG B 4 0.858 -12.695 -7.705 1.00 0.00 H new ATOM 0 HG3 ARG B 4 2.115 -12.251 -6.569 1.00 0.00 H new ATOM 0 HD2 ARG B 4 0.198 -10.376 -5.902 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -0.834 -11.688 -6.434 1.00 0.00 H new ATOM 0 HE ARG B 4 1.436 -12.568 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -0.221 -10.588 -3.101 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -1.440 -11.637 -2.370 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -0.839 -14.283 -4.576 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -1.787 -13.712 -3.198 1.00 0.00 H new ATOM 478 N ILE B 5 1.161 -7.671 -5.893 1.00 0.00 N ATOM 479 CA ILE B 5 0.128 -6.629 -5.631 1.00 0.00 C ATOM 480 C ILE B 5 0.728 -5.233 -5.828 1.00 0.00 C ATOM 481 O ILE B 5 1.636 -4.833 -5.126 1.00 0.00 O ATOM 482 CB ILE B 5 -0.280 -6.838 -4.172 1.00 0.00 C ATOM 483 CG1 ILE B 5 -1.135 -5.657 -3.708 1.00 0.00 C ATOM 484 CG2 ILE B 5 0.973 -6.932 -3.300 1.00 0.00 C ATOM 485 CD1 ILE B 5 -1.527 -5.856 -2.243 1.00 0.00 C ATOM 0 H ILE B 5 1.927 -7.700 -5.220 1.00 0.00 H new ATOM 0 HA ILE B 5 -0.723 -6.707 -6.307 1.00 0.00 H new ATOM 0 HB ILE B 5 -0.854 -7.760 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE B 5 -0.581 -4.725 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE B 5 -2.029 -5.576 -4.327 1.00 0.00 H new ATOM 0 HG21 ILE B 5 0.682 -7.081 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE B 5 1.584 -7.772 -3.630 1.00 0.00 H new ATOM 0 HG23 ILE B 5 1.547 -6.010 -3.388 1.00 0.00 H new ATOM 0 HD11 ILE B 5 -2.136 -5.015 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE B 5 -2.097 -6.779 -2.141 1.00 0.00 H new ATOM 0 HD13 ILE B 5 -0.627 -5.916 -1.631 1.00 0.00 H new ATOM 497 N ILE B 6 0.232 -4.489 -6.781 1.00 0.00 N ATOM 498 CA ILE B 6 0.781 -3.123 -7.021 1.00 0.00 C ATOM 499 C ILE B 6 -0.294 -2.061 -6.767 1.00 0.00 C ATOM 500 O ILE B 6 -1.367 -2.101 -7.338 1.00 0.00 O ATOM 501 CB ILE B 6 1.201 -3.118 -8.491 1.00 0.00 C ATOM 502 CG1 ILE B 6 2.288 -4.172 -8.715 1.00 0.00 C ATOM 503 CG2 ILE B 6 1.746 -1.738 -8.862 1.00 0.00 C ATOM 504 CD1 ILE B 6 2.627 -4.246 -10.205 1.00 0.00 C ATOM 0 H ILE B 6 -0.528 -4.768 -7.402 1.00 0.00 H new ATOM 0 HA ILE B 6 1.614 -2.893 -6.356 1.00 0.00 H new ATOM 0 HB ILE B 6 0.338 -3.347 -9.115 1.00 0.00 H new ATOM 0 HG12 ILE B 6 3.179 -3.919 -8.141 1.00 0.00 H new ATOM 0 HG13 ILE B 6 1.946 -5.144 -8.360 1.00 0.00 H new ATOM 0 HG21 ILE B 6 2.045 -1.735 -9.910 1.00 0.00 H new ATOM 0 HG22 ILE B 6 0.973 -0.987 -8.703 1.00 0.00 H new ATOM 0 HG23 ILE B 6 2.609 -1.508 -8.237 1.00 0.00 H new ATOM 0 HD11 ILE B 6 3.401 -4.996 -10.365 1.00 0.00 H new ATOM 0 HD12 ILE B 6 1.735 -4.519 -10.768 1.00 0.00 H new ATOM 0 HD13 ILE B 6 2.987 -3.275 -10.545 1.00 0.00 H new ATOM 516 N ARG B 7 -0.013 -1.109 -5.920 1.00 0.00 N ATOM 517 CA ARG B 7 -1.018 -0.045 -5.637 1.00 0.00 C ATOM 518 C ARG B 7 -0.865 1.102 -6.639 1.00 0.00 C ATOM 519 O ARG B 7 0.055 1.890 -6.560 1.00 0.00 O ATOM 520 CB ARG B 7 -0.699 0.435 -4.219 1.00 0.00 C ATOM 521 CG ARG B 7 -1.265 -0.560 -3.203 1.00 0.00 C ATOM 522 CD ARG B 7 -2.487 0.054 -2.514 1.00 0.00 C ATOM 523 NE ARG B 7 -1.979 0.553 -1.207 1.00 0.00 N ATOM 524 CZ ARG B 7 -2.324 -0.046 -0.100 1.00 0.00 C ATOM 525 NH1 ARG B 7 -3.405 0.320 0.532 1.00 0.00 N ATOM 526 NH2 ARG B 7 -1.588 -1.014 0.374 1.00 0.00 N ATOM 0 H ARG B 7 0.867 -1.022 -5.412 1.00 0.00 H new ATOM 0 HA ARG B 7 -2.042 -0.409 -5.722 1.00 0.00 H new ATOM 0 HB2 ARG B 7 0.379 0.529 -4.090 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -1.128 1.423 -4.053 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -1.544 -1.488 -3.703 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -0.505 -0.812 -2.463 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -2.910 0.864 -3.108 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -3.275 -0.686 -2.375 1.00 0.00 H new ATOM 0 HE ARG B 7 -1.361 1.364 -1.176 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -3.982 1.075 0.161 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -3.674 -0.149 1.397 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -0.744 -1.302 -0.121 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -1.857 -1.483 1.239 1.00 0.00 H new ATOM 540 N TYR B 8 -1.759 1.198 -7.587 1.00 0.00 N ATOM 541 CA TYR B 8 -1.661 2.290 -8.597 1.00 0.00 C ATOM 542 C TYR B 8 -2.214 3.599 -8.022 1.00 0.00 C ATOM 543 O TYR B 8 -3.364 3.685 -7.642 1.00 0.00 O ATOM 544 CB TYR B 8 -2.516 1.819 -9.773 1.00 0.00 C ATOM 545 CG TYR B 8 -1.618 1.319 -10.879 1.00 0.00 C ATOM 546 CD1 TYR B 8 -1.232 -0.026 -10.914 1.00 0.00 C ATOM 547 CD2 TYR B 8 -1.171 2.201 -11.870 1.00 0.00 C ATOM 548 CE1 TYR B 8 -0.400 -0.490 -11.940 1.00 0.00 C ATOM 549 CE2 TYR B 8 -0.338 1.737 -12.896 1.00 0.00 C ATOM 550 CZ TYR B 8 0.048 0.392 -12.930 1.00 0.00 C ATOM 551 OH TYR B 8 0.869 -0.065 -13.941 1.00 0.00 O ATOM 0 H TYR B 8 -2.552 0.568 -7.705 1.00 0.00 H new ATOM 0 HA TYR B 8 -0.630 2.485 -8.893 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -3.191 1.026 -9.451 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -3.137 2.638 -10.136 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -1.576 -0.706 -10.149 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -1.468 3.239 -11.843 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -0.104 -1.528 -11.967 1.00 0.00 H new ATOM 0 HE2 TYR B 8 0.007 2.417 -13.661 1.00 0.00 H new ATOM 0 HH TYR B 8 1.087 0.675 -14.545 1.00 0.00 H new ATOM 561 N PHE B 9 -1.402 4.617 -7.957 1.00 0.00 N ATOM 562 CA PHE B 9 -1.880 5.919 -7.410 1.00 0.00 C ATOM 563 C PHE B 9 -1.771 7.005 -8.478 1.00 0.00 C ATOM 564 O PHE B 9 -1.445 8.141 -8.198 1.00 0.00 O ATOM 565 CB PHE B 9 -0.946 6.217 -6.237 1.00 0.00 C ATOM 566 CG PHE B 9 -1.726 6.838 -5.104 1.00 0.00 C ATOM 567 CD1 PHE B 9 -2.896 7.558 -5.368 1.00 0.00 C ATOM 568 CD2 PHE B 9 -1.274 6.696 -3.787 1.00 0.00 C ATOM 569 CE1 PHE B 9 -3.614 8.135 -4.317 1.00 0.00 C ATOM 570 CE2 PHE B 9 -1.992 7.273 -2.735 1.00 0.00 C ATOM 571 CZ PHE B 9 -3.163 7.993 -2.998 1.00 0.00 C ATOM 0 H PHE B 9 -0.428 4.604 -8.259 1.00 0.00 H new ATOM 0 HA PHE B 9 -2.924 5.885 -7.099 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -0.467 5.298 -5.899 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -0.152 6.892 -6.556 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -3.244 7.668 -6.384 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -0.370 6.141 -3.583 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -4.517 8.691 -4.522 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -1.643 7.163 -1.719 1.00 0.00 H new ATOM 0 HZ PHE B 9 -3.718 8.438 -2.186 1.00 0.00 H new ATOM 581 N TYR B 10 -2.040 6.659 -9.704 1.00 0.00 N ATOM 582 CA TYR B 10 -1.948 7.664 -10.801 1.00 0.00 C ATOM 583 C TYR B 10 -2.750 8.921 -10.442 1.00 0.00 C ATOM 584 O TYR B 10 -3.937 8.862 -10.187 1.00 0.00 O ATOM 585 CB TYR B 10 -2.519 6.954 -12.039 1.00 0.00 C ATOM 586 CG TYR B 10 -4.010 7.185 -12.150 1.00 0.00 C ATOM 587 CD1 TYR B 10 -4.494 8.396 -12.656 1.00 0.00 C ATOM 588 CD2 TYR B 10 -4.906 6.185 -11.751 1.00 0.00 C ATOM 589 CE1 TYR B 10 -5.873 8.611 -12.764 1.00 0.00 C ATOM 590 CE2 TYR B 10 -6.286 6.399 -11.859 1.00 0.00 C ATOM 591 CZ TYR B 10 -6.770 7.612 -12.365 1.00 0.00 C ATOM 592 OH TYR B 10 -8.130 7.823 -12.471 1.00 0.00 O ATOM 0 H TYR B 10 -2.320 5.723 -9.996 1.00 0.00 H new ATOM 0 HA TYR B 10 -0.927 8.002 -10.977 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -2.022 7.322 -12.937 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -2.316 5.885 -11.977 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -3.803 9.166 -12.964 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -4.533 5.250 -11.360 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -6.245 9.547 -13.155 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -6.977 5.628 -11.552 1.00 0.00 H new ATOM 0 HH TYR B 10 -8.610 7.030 -12.152 1.00 0.00 H new ATOM 602 N ASN B 11 -2.108 10.057 -10.420 1.00 0.00 N ATOM 603 CA ASN B 11 -2.828 11.317 -10.078 1.00 0.00 C ATOM 604 C ASN B 11 -3.157 12.101 -11.351 1.00 0.00 C ATOM 605 O ASN B 11 -2.715 11.765 -12.431 1.00 0.00 O ATOM 606 CB ASN B 11 -1.853 12.104 -9.202 1.00 0.00 C ATOM 607 CG ASN B 11 -2.440 13.483 -8.895 1.00 0.00 C ATOM 608 OD1 ASN B 11 -3.643 13.651 -8.864 1.00 0.00 O ATOM 609 ND2 ASN B 11 -1.636 14.484 -8.665 1.00 0.00 N ATOM 0 H ASN B 11 -1.115 10.167 -10.624 1.00 0.00 H new ATOM 0 HA ASN B 11 -3.773 11.127 -9.569 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -1.663 11.563 -8.275 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -0.895 12.210 -9.711 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -2.017 15.407 -8.459 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -0.626 14.343 -8.691 1.00 0.00 H new ATOM 616 N ALA B 12 -3.931 13.146 -11.231 1.00 0.00 N ATOM 617 CA ALA B 12 -4.285 13.953 -12.434 1.00 0.00 C ATOM 618 C ALA B 12 -3.184 14.974 -12.728 1.00 0.00 C ATOM 619 O ALA B 12 -2.042 14.795 -12.352 1.00 0.00 O ATOM 620 CB ALA B 12 -5.589 14.660 -12.065 1.00 0.00 C ATOM 0 H ALA B 12 -4.333 13.475 -10.353 1.00 0.00 H new ATOM 0 HA ALA B 12 -4.393 13.338 -13.328 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -5.918 15.277 -12.901 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.354 13.917 -11.839 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -5.426 15.291 -11.191 1.00 0.00 H new ATOM 626 N LYS B 13 -3.516 16.044 -13.397 1.00 0.00 N ATOM 627 CA LYS B 13 -2.485 17.076 -13.713 1.00 0.00 C ATOM 628 C LYS B 13 -1.273 16.425 -14.384 1.00 0.00 C ATOM 629 O LYS B 13 -1.208 16.307 -15.592 1.00 0.00 O ATOM 630 CB LYS B 13 -2.096 17.673 -12.361 1.00 0.00 C ATOM 631 CG LYS B 13 -3.016 18.852 -12.039 1.00 0.00 C ATOM 632 CD LYS B 13 -4.399 18.329 -11.645 1.00 0.00 C ATOM 633 CE LYS B 13 -5.385 18.580 -12.788 1.00 0.00 C ATOM 634 NZ LYS B 13 -5.876 19.968 -12.572 1.00 0.00 N ATOM 0 H LYS B 13 -4.455 16.249 -13.739 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.857 17.835 -14.401 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.173 16.915 -11.581 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -1.058 18.004 -12.383 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -2.595 19.444 -11.227 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.097 19.510 -12.904 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.347 17.263 -11.423 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -4.743 18.827 -10.738 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.899 18.479 -13.758 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -6.206 17.863 -12.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -6.558 20.215 -13.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -6.340 20.032 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -5.074 20.629 -12.604 1.00 0.00 H new ATOM 648 N ASP B 14 -0.310 16.001 -13.611 1.00 0.00 N ATOM 649 CA ASP B 14 0.897 15.359 -14.207 1.00 0.00 C ATOM 650 C ASP B 14 1.445 14.282 -13.266 1.00 0.00 C ATOM 651 O ASP B 14 2.547 13.798 -13.436 1.00 0.00 O ATOM 652 CB ASP B 14 1.909 16.493 -14.372 1.00 0.00 C ATOM 653 CG ASP B 14 1.646 17.224 -15.690 1.00 0.00 C ATOM 654 OD1 ASP B 14 1.182 16.582 -16.618 1.00 0.00 O ATOM 655 OD2 ASP B 14 1.915 18.413 -15.750 1.00 0.00 O ATOM 0 H ASP B 14 -0.307 16.071 -12.593 1.00 0.00 H new ATOM 0 HA ASP B 14 0.677 14.868 -15.155 1.00 0.00 H new ATOM 0 HB2 ASP B 14 1.831 17.189 -13.536 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.923 16.094 -14.361 1.00 0.00 H new ATOM 660 N GLY B 15 0.686 13.903 -12.275 1.00 0.00 N ATOM 661 CA GLY B 15 1.165 12.858 -11.326 1.00 0.00 C ATOM 662 C GLY B 15 0.499 11.522 -11.661 1.00 0.00 C ATOM 663 O GLY B 15 0.245 10.709 -10.796 1.00 0.00 O ATOM 0 H GLY B 15 -0.245 14.272 -12.081 1.00 0.00 H new ATOM 0 HA2 GLY B 15 2.249 12.763 -11.390 1.00 0.00 H new ATOM 0 HA3 GLY B 15 0.930 13.147 -10.301 1.00 0.00 H new HETATM 667 N CLH B 16 0.213 11.292 -12.914 1.00 0.00 N HETATM 668 CA CLH B 16 -0.438 10.010 -13.307 1.00 0.00 C HETATM 669 CB CLH B 16 -0.975 10.259 -14.718 1.00 0.00 C HETATM 670 CG CLH B 16 -2.174 9.346 -14.980 1.00 0.00 C HETATM 671 CD CLH B 16 -1.875 8.438 -16.175 1.00 0.00 C HETATM 672 CE CLH B 16 -2.625 7.114 -16.012 1.00 0.00 C HETATM 673 NZ CLH B 16 -2.911 6.662 -17.403 1.00 0.00 N HETATM 674 CH CLH B 16 -3.558 5.547 -17.606 1.00 0.00 C HETATM 675 OI CLH B 16 -3.935 4.860 -16.679 1.00 0.00 O HETATM 676 CI CLH B 16 -3.821 5.137 -19.056 1.00 0.00 C HETATM 677 NJ CLH B 16 -3.893 3.651 -19.148 1.00 0.00 N HETATM 678 CK CLH B 16 -3.232 3.022 -20.082 1.00 0.00 C HETATM 679 OL CLH B 16 -2.534 3.562 -20.916 1.00 0.00 O HETATM 680 C CLH B 16 0.590 8.874 -13.318 1.00 0.00 C HETATM 681 O CLH B 16 0.812 8.236 -14.328 1.00 0.00 O HETATM 682 CL CLH B 16 -3.417 1.656 -20.014 1.00 0.00 C HETATM 0 HZ CLH B 16 -2.601 7.224 -18.196 1.00 0.00 H new HETATM 0 HNJ CLH B 16 -4.459 3.126 -18.481 1.00 0.00 H new HETATM 0 HI2 CLH B 16 -4.754 5.579 -19.407 1.00 0.00 H new HETATM 0 HI1 CLH B 16 -3.027 5.514 -19.701 1.00 0.00 H new HETATM 0 HG3 CLH B 16 -2.385 8.744 -14.096 1.00 0.00 H new HETATM 0 HG2 CLH B 16 -3.063 9.944 -15.178 1.00 0.00 H new HETATM 0 HE3 CLH B 16 -2.022 6.382 -15.475 1.00 0.00 H new HETATM 0 HE2 CLH B 16 -3.545 7.248 -15.443 1.00 0.00 H new HETATM 0 HD3 CLH B 16 -2.177 8.927 -17.101 1.00 0.00 H new HETATM 0 HD2 CLH B 16 -0.803 8.254 -16.246 1.00 0.00 H new HETATM 0 HB3 CLH B 16 -1.269 11.303 -14.827 1.00 0.00 H new HETATM 0 HB2 CLH B 16 -0.194 10.070 -15.454 1.00 0.00 H new HETATM 0 HA CLH B 16 -1.226 9.717 -12.614 1.00 0.00 H new HETATM 0 H CLH B 16 0.217 12.081 -13.560 1.00 0.00 H new HETATM 698 N ABA B 17 1.217 8.613 -12.202 1.00 0.00 N HETATM 699 CA ABA B 17 2.227 7.517 -12.159 1.00 0.00 C HETATM 700 C ABA B 17 2.779 7.348 -10.740 1.00 0.00 C HETATM 701 O ABA B 17 3.974 7.382 -10.521 1.00 0.00 O HETATM 702 CB ABA B 17 3.335 7.961 -13.114 1.00 0.00 C HETATM 703 CG ABA B 17 4.101 6.735 -13.615 1.00 0.00 C HETATM 0 HG3 ABA B 17 3.417 6.068 -14.139 1.00 0.00 H new HETATM 0 HG2 ABA B 17 4.542 6.210 -12.768 1.00 0.00 H new HETATM 0 HG1 ABA B 17 4.891 7.053 -14.296 1.00 0.00 H new HETATM 0 HB3 ABA B 17 4.015 8.645 -12.606 1.00 0.00 H new HETATM 0 HB2 ABA B 17 2.907 8.504 -13.956 1.00 0.00 H new HETATM 0 HA ABA B 17 1.799 6.556 -12.445 1.00 0.00 H new HETATM 0 H ABA B 17 0.987 9.128 -11.352 1.00 0.00 H new ATOM 711 N GLN B 18 1.921 7.159 -9.774 1.00 0.00 N ATOM 712 CA GLN B 18 2.402 6.980 -8.374 1.00 0.00 C ATOM 713 C GLN B 18 2.087 5.562 -7.890 1.00 0.00 C ATOM 714 O GLN B 18 1.381 5.368 -6.921 1.00 0.00 O ATOM 715 CB GLN B 18 1.632 8.014 -7.550 1.00 0.00 C ATOM 716 CG GLN B 18 2.227 9.403 -7.787 1.00 0.00 C ATOM 717 CD GLN B 18 2.446 10.103 -6.445 1.00 0.00 C ATOM 718 OE1 GLN B 18 2.932 9.503 -5.506 1.00 0.00 O ATOM 719 NE2 GLN B 18 2.105 11.356 -6.312 1.00 0.00 N ATOM 0 H GLN B 18 0.909 7.121 -9.894 1.00 0.00 H new ATOM 0 HA GLN B 18 3.480 7.116 -8.286 1.00 0.00 H new ATOM 0 HB2 GLN B 18 0.579 8.006 -7.830 1.00 0.00 H new ATOM 0 HB3 GLN B 18 1.683 7.761 -6.491 1.00 0.00 H new ATOM 0 HG2 GLN B 18 3.172 9.318 -8.323 1.00 0.00 H new ATOM 0 HG3 GLN B 18 1.558 9.994 -8.412 1.00 0.00 H new ATOM 0 HE21 GLN B 18 1.697 11.860 -7.100 1.00 0.00 H new ATOM 0 HE22 GLN B 18 2.246 11.831 -5.421 1.00 0.00 H new ATOM 728 N THR B 19 2.603 4.568 -8.562 1.00 0.00 N ATOM 729 CA THR B 19 2.328 3.163 -8.142 1.00 0.00 C ATOM 730 C THR B 19 3.385 2.692 -7.139 1.00 0.00 C ATOM 731 O THR B 19 4.449 3.269 -7.026 1.00 0.00 O ATOM 732 CB THR B 19 2.407 2.343 -9.431 1.00 0.00 C ATOM 733 OG1 THR B 19 2.165 0.975 -9.134 1.00 0.00 O ATOM 734 CG2 THR B 19 3.795 2.497 -10.053 1.00 0.00 C ATOM 0 H THR B 19 3.202 4.667 -9.382 1.00 0.00 H new ATOM 0 HA THR B 19 1.360 3.060 -7.652 1.00 0.00 H new ATOM 0 HB THR B 19 1.657 2.700 -10.136 1.00 0.00 H new ATOM 0 HG1 THR B 19 2.967 0.581 -8.732 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.849 1.912 -10.971 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.977 3.547 -10.281 1.00 0.00 H new ATOM 0 HG23 THR B 19 4.550 2.142 -9.351 1.00 0.00 H new ATOM 742 N PHE B 20 3.099 1.649 -6.408 1.00 0.00 N ATOM 743 CA PHE B 20 4.086 1.143 -5.411 1.00 0.00 C ATOM 744 C PHE B 20 4.790 -0.106 -5.948 1.00 0.00 C ATOM 745 O PHE B 20 4.504 -0.575 -7.032 1.00 0.00 O ATOM 746 CB PHE B 20 3.257 0.799 -4.173 1.00 0.00 C ATOM 747 CG PHE B 20 2.773 2.073 -3.521 1.00 0.00 C ATOM 748 CD1 PHE B 20 1.877 2.907 -4.197 1.00 0.00 C ATOM 749 CD2 PHE B 20 3.223 2.419 -2.240 1.00 0.00 C ATOM 750 CE1 PHE B 20 1.429 4.089 -3.594 1.00 0.00 C ATOM 751 CE2 PHE B 20 2.775 3.600 -1.637 1.00 0.00 C ATOM 752 CZ PHE B 20 1.878 4.435 -2.314 1.00 0.00 C ATOM 0 H PHE B 20 2.225 1.125 -6.458 1.00 0.00 H new ATOM 0 HA PHE B 20 4.863 1.875 -5.192 1.00 0.00 H new ATOM 0 HB2 PHE B 20 2.408 0.176 -4.453 1.00 0.00 H new ATOM 0 HB3 PHE B 20 3.857 0.223 -3.469 1.00 0.00 H new ATOM 0 HD1 PHE B 20 1.530 2.640 -5.184 1.00 0.00 H new ATOM 0 HD2 PHE B 20 3.915 1.775 -1.718 1.00 0.00 H new ATOM 0 HE1 PHE B 20 0.737 4.733 -4.116 1.00 0.00 H new ATOM 0 HE2 PHE B 20 3.121 3.867 -0.650 1.00 0.00 H new ATOM 0 HZ PHE B 20 1.532 5.346 -1.849 1.00 0.00 H new ATOM 762 N VAL B 21 5.710 -0.649 -5.197 1.00 0.00 N ATOM 763 CA VAL B 21 6.432 -1.868 -5.665 1.00 0.00 C ATOM 764 C VAL B 21 6.474 -2.919 -4.552 1.00 0.00 C ATOM 765 O VAL B 21 7.438 -3.022 -3.820 1.00 0.00 O ATOM 766 CB VAL B 21 7.844 -1.388 -6.000 1.00 0.00 C ATOM 767 CG1 VAL B 21 7.779 -0.359 -7.130 1.00 0.00 C ATOM 768 CG2 VAL B 21 8.472 -0.744 -4.762 1.00 0.00 C ATOM 0 H VAL B 21 5.993 -0.302 -4.281 1.00 0.00 H new ATOM 0 HA VAL B 21 5.944 -2.332 -6.522 1.00 0.00 H new ATOM 0 HB VAL B 21 8.450 -2.237 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL B 21 8.786 -0.017 -7.369 1.00 0.00 H new ATOM 0 HG12 VAL B 21 7.332 -0.816 -8.013 1.00 0.00 H new ATOM 0 HG13 VAL B 21 7.173 0.490 -6.815 1.00 0.00 H new ATOM 0 HG21 VAL B 21 9.479 -0.402 -5.001 1.00 0.00 H new ATOM 0 HG22 VAL B 21 7.866 0.105 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL B 21 8.519 -1.476 -3.956 1.00 0.00 H new ATOM 778 N TYR B 22 5.437 -3.700 -4.421 1.00 0.00 N ATOM 779 CA TYR B 22 5.422 -4.744 -3.356 1.00 0.00 C ATOM 780 C TYR B 22 6.131 -6.009 -3.848 1.00 0.00 C ATOM 781 O TYR B 22 6.748 -6.724 -3.082 1.00 0.00 O ATOM 782 CB TYR B 22 3.941 -5.025 -3.096 1.00 0.00 C ATOM 783 CG TYR B 22 3.355 -3.918 -2.253 1.00 0.00 C ATOM 784 CD1 TYR B 22 2.795 -2.792 -2.867 1.00 0.00 C ATOM 785 CD2 TYR B 22 3.370 -4.018 -0.856 1.00 0.00 C ATOM 786 CE1 TYR B 22 2.250 -1.766 -2.086 1.00 0.00 C ATOM 787 CE2 TYR B 22 2.825 -2.992 -0.075 1.00 0.00 C ATOM 788 CZ TYR B 22 2.265 -1.866 -0.689 1.00 0.00 C ATOM 789 OH TYR B 22 1.726 -0.855 0.081 1.00 0.00 O ATOM 0 H TYR B 22 4.601 -3.661 -5.004 1.00 0.00 H new ATOM 0 HA TYR B 22 5.939 -4.421 -2.453 1.00 0.00 H new ATOM 0 HB2 TYR B 22 3.403 -5.099 -4.041 1.00 0.00 H new ATOM 0 HB3 TYR B 22 3.826 -5.982 -2.588 1.00 0.00 H new ATOM 0 HD1 TYR B 22 2.783 -2.715 -3.944 1.00 0.00 H new ATOM 0 HD2 TYR B 22 3.802 -4.887 -0.381 1.00 0.00 H new ATOM 0 HE1 TYR B 22 1.818 -0.897 -2.561 1.00 0.00 H new ATOM 0 HE2 TYR B 22 2.837 -3.069 1.002 1.00 0.00 H new ATOM 0 HH TYR B 22 1.817 -1.083 1.030 1.00 0.00 H new ATOM 799 N GLY B 23 6.048 -6.292 -5.119 1.00 0.00 N ATOM 800 CA GLY B 23 6.716 -7.509 -5.658 1.00 0.00 C ATOM 801 C GLY B 23 8.023 -7.113 -6.347 1.00 0.00 C ATOM 802 O GLY B 23 8.684 -6.174 -5.952 1.00 0.00 O ATOM 0 H GLY B 23 5.546 -5.732 -5.808 1.00 0.00 H new ATOM 0 HA2 GLY B 23 6.917 -8.213 -4.851 1.00 0.00 H new ATOM 0 HA3 GLY B 23 6.058 -8.014 -6.366 1.00 0.00 H new ATOM 806 N GLY B 24 8.401 -7.823 -7.376 1.00 0.00 N ATOM 807 CA GLY B 24 9.667 -7.486 -8.088 1.00 0.00 C ATOM 808 C GLY B 24 10.162 -8.712 -8.860 1.00 0.00 C ATOM 809 O GLY B 24 10.738 -9.621 -8.296 1.00 0.00 O ATOM 0 H GLY B 24 7.889 -8.620 -7.754 1.00 0.00 H new ATOM 0 HA2 GLY B 24 9.501 -6.655 -8.773 1.00 0.00 H new ATOM 0 HA3 GLY B 24 10.424 -7.164 -7.373 1.00 0.00 H new ATOM 813 N CYS B 25 9.944 -8.745 -10.147 1.00 0.00 N ATOM 814 CA CYS B 25 10.404 -9.913 -10.951 1.00 0.00 C ATOM 815 C CYS B 25 10.123 -9.678 -12.438 1.00 0.00 C ATOM 816 O CYS B 25 10.889 -10.086 -13.289 1.00 0.00 O ATOM 817 CB CYS B 25 9.587 -11.098 -10.434 1.00 0.00 C ATOM 818 SG CYS B 25 9.962 -12.564 -11.427 1.00 0.00 S ATOM 0 H CYS B 25 9.468 -8.014 -10.676 1.00 0.00 H new ATOM 0 HA CYS B 25 11.476 -10.082 -10.853 1.00 0.00 H new ATOM 0 HB2 CYS B 25 9.820 -11.285 -9.386 1.00 0.00 H new ATOM 0 HB3 CYS B 25 8.522 -10.871 -10.488 1.00 0.00 H new HETATM 823 N NH2 B 26 9.043 -9.034 -12.791 1.00 0.00 N TER 826 NH2 B 26