USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, 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 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 H : B 17 ABA N : B 16 CLH C :(H bumps) USER MOD Single : A 2 LYS NZ :NH3+ -161:sc= -0.0682 (180deg=-0.187) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.646 K(o=0.65,f=-0.13) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -19.1! C(o=-19!,f=-27!) USER MOD Single : A 19 THR OG1 : rot -170:sc= -1.22 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0604 USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 ASN : amide:sc= -0.0345 X(o=-0.034,f=-0.49) USER MOD Single : B 13 LYS NZ :NH3+ -147:sc= -0.551 (180deg=-1.13) USER MOD Single : B 18 GLN :FLIP amide:sc= 0.437 F(o=-2.5,f=0.44) USER MOD Single : B 19 THR OG1 : rot -100:sc= 0.592 USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 CA MPT A 1 -4.646 -18.604 -4.854 1.00 0.00 C HETATM 2 C MPT A 1 -4.553 -17.526 -5.940 1.00 0.00 C HETATM 3 O MPT A 1 -3.522 -17.332 -6.551 1.00 0.00 O HETATM 4 CB MPT A 1 -5.112 -17.984 -3.540 1.00 0.00 C HETATM 5 SG MPT A 1 -3.674 -17.527 -2.542 1.00 0.00 S HETATM 0 HB2 MPT A 1 -5.724 -17.104 -3.738 1.00 0.00 H new HETATM 0 HB1 MPT A 1 -5.737 -18.691 -2.994 1.00 0.00 H new HETATM 0 HA2 MPT A 1 -5.341 -19.385 -5.164 1.00 0.00 H new HETATM 0 HA1 MPT A 1 -3.674 -19.078 -4.717 1.00 0.00 H new ATOM 10 N LYS A 2 -5.625 -16.822 -6.182 1.00 0.00 N ATOM 11 CA LYS A 2 -5.596 -15.759 -7.228 1.00 0.00 C ATOM 12 C LYS A 2 -6.906 -14.967 -7.212 1.00 0.00 C ATOM 13 O LYS A 2 -7.689 -15.026 -8.138 1.00 0.00 O ATOM 14 CB LYS A 2 -5.439 -16.509 -8.551 1.00 0.00 C ATOM 15 CG LYS A 2 -6.709 -17.311 -8.839 1.00 0.00 C ATOM 16 CD LYS A 2 -6.343 -18.608 -9.565 1.00 0.00 C ATOM 17 CE LYS A 2 -5.836 -19.636 -8.551 1.00 0.00 C ATOM 18 NZ LYS A 2 -4.425 -19.903 -8.947 1.00 0.00 N ATOM 0 H LYS A 2 -6.518 -16.936 -5.702 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.790 -15.043 -7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.251 -15.804 -9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.578 -17.176 -8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.227 -17.538 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.393 -16.721 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.213 -19.000 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.577 -18.413 -10.315 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.894 -19.249 -7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.433 -20.547 -8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.111 -20.802 -8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.361 -19.962 -9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.817 -19.131 -8.606 1.00 0.00 H new ATOM 32 N ALA A 3 -7.148 -14.225 -6.165 1.00 0.00 N ATOM 33 CA ALA A 3 -8.407 -13.429 -6.090 1.00 0.00 C ATOM 34 C ALA A 3 -8.099 -11.937 -6.233 1.00 0.00 C ATOM 35 O ALA A 3 -8.497 -11.129 -5.417 1.00 0.00 O ATOM 36 CB ALA A 3 -8.983 -13.727 -4.705 1.00 0.00 C ATOM 0 H ALA A 3 -6.529 -14.136 -5.359 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.106 -13.687 -6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.914 -13.176 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.177 -14.796 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -8.269 -13.422 -3.940 1.00 0.00 H new HETATM 42 N CLG A 4 -7.390 -11.564 -7.264 1.00 0.00 N HETATM 43 CA CLG A 4 -7.057 -10.123 -7.455 1.00 0.00 C HETATM 44 CB CLG A 4 -6.448 -10.038 -8.855 1.00 0.00 C HETATM 45 CG CLG A 4 -7.544 -10.239 -9.903 1.00 0.00 C HETATM 46 CD CLG A 4 -6.924 -10.216 -11.300 1.00 0.00 C HETATM 47 CE CLG A 4 -6.273 -8.854 -11.549 1.00 0.00 C HETATM 48 NZ CLG A 4 -7.016 -8.278 -12.703 1.00 0.00 N HETATM 49 CH CLG A 4 -6.475 -7.330 -13.420 1.00 0.00 C HETATM 50 OI CLG A 4 -5.368 -6.900 -13.165 1.00 0.00 O HETATM 51 CI CLG A 4 -7.290 -6.781 -14.594 1.00 0.00 C HETATM 52 NJ CLG A 4 -7.130 -5.301 -14.659 1.00 0.00 N HETATM 53 CK CLG A 4 -6.023 -4.784 -15.115 1.00 0.00 C HETATM 54 OL CLG A 4 -5.106 -5.487 -15.492 1.00 0.00 O HETATM 55 C CLG A 4 -8.325 -9.271 -7.367 1.00 0.00 C HETATM 56 O CLG A 4 -9.426 -9.782 -7.321 1.00 0.00 O HETATM 57 CL CLG A 4 -5.920 -3.257 -15.158 1.00 0.00 C HETATM 58 OM CLG A 4 -4.654 -2.883 -15.680 1.00 0.00 O HETATM 59 NM CLG A 4 -4.536 -1.469 -15.730 1.00 0.00 N HETATM 0 HNM1 CLG A 4 -5.307 -0.881 -15.413 1.00 0.00 H new HETATM 0 HZ CLG A 4 -7.947 -8.624 -12.934 1.00 0.00 H new HETATM 0 HNJ CLG A 4 -7.886 -4.692 -14.347 1.00 0.00 H new HETATM 0 HL2 CLG A 4 -6.717 -2.845 -15.777 1.00 0.00 H new HETATM 0 HL1 CLG A 4 -6.049 -2.845 -14.157 1.00 0.00 H new HETATM 0 HI2 CLG A 4 -6.956 -7.235 -15.527 1.00 0.00 H new HETATM 0 HI1 CLG A 4 -8.342 -7.039 -14.473 1.00 0.00 H new HETATM 0 HG3 CLG A 4 -8.053 -11.188 -9.735 1.00 0.00 H new HETATM 0 HG2 CLG A 4 -8.295 -9.454 -9.814 1.00 0.00 H new HETATM 0 HE3 CLG A 4 -6.350 -8.213 -10.671 1.00 0.00 H new HETATM 0 HE2 CLG A 4 -5.212 -8.959 -11.775 1.00 0.00 H new HETATM 0 HD3 CLG A 4 -6.181 -11.008 -11.392 1.00 0.00 H new HETATM 0 HD2 CLG A 4 -7.689 -10.408 -12.052 1.00 0.00 H new HETATM 0 HB3 CLG A 4 -5.969 -9.069 -8.996 1.00 0.00 H new HETATM 0 HB2 CLG A 4 -5.674 -10.797 -8.973 1.00 0.00 H new HETATM 0 HA CLG A 4 -6.373 -9.753 -6.691 1.00 0.00 H new HETATM 0 H CLG A 4 -7.193 -12.236 -8.006 1.00 0.00 H new ATOM 76 N ILE A 5 -8.179 -7.974 -7.344 1.00 0.00 N ATOM 77 CA ILE A 5 -9.377 -7.089 -7.258 1.00 0.00 C ATOM 78 C ILE A 5 -9.089 -5.737 -7.918 1.00 0.00 C ATOM 79 O ILE A 5 -7.955 -5.398 -8.193 1.00 0.00 O ATOM 80 CB ILE A 5 -9.636 -6.910 -5.760 1.00 0.00 C ATOM 81 CG1 ILE A 5 -8.583 -5.971 -5.166 1.00 0.00 C ATOM 82 CG2 ILE A 5 -9.561 -8.267 -5.058 1.00 0.00 C ATOM 83 CD1 ILE A 5 -7.202 -6.623 -5.256 1.00 0.00 C ATOM 0 H ILE A 5 -7.283 -7.489 -7.381 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.239 -7.515 -7.772 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.628 -6.482 -5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.584 -5.022 -5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.824 -5.749 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.746 -8.136 -3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.313 -8.936 -5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.571 -8.698 -5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.455 -5.952 -4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.205 -7.560 -4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.961 -6.822 -6.300 1.00 0.00 H new ATOM 95 N ILE A 6 -10.109 -4.963 -8.173 1.00 0.00 N ATOM 96 CA ILE A 6 -9.897 -3.632 -8.813 1.00 0.00 C ATOM 97 C ILE A 6 -10.500 -2.527 -7.943 1.00 0.00 C ATOM 98 O ILE A 6 -11.535 -1.973 -8.255 1.00 0.00 O ATOM 99 CB ILE A 6 -10.627 -3.717 -10.153 1.00 0.00 C ATOM 100 CG1 ILE A 6 -10.151 -4.959 -10.912 1.00 0.00 C ATOM 101 CG2 ILE A 6 -10.325 -2.467 -10.982 1.00 0.00 C ATOM 102 CD1 ILE A 6 -11.046 -6.148 -10.558 1.00 0.00 C ATOM 0 H ILE A 6 -11.081 -5.195 -7.966 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.840 -3.397 -8.939 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.701 -3.784 -9.978 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -10.180 -4.775 -11.986 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.115 -5.181 -10.655 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -10.846 -2.529 -11.937 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.662 -1.582 -10.442 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.252 -2.398 -11.158 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.707 -7.032 -11.098 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.994 -6.336 -9.486 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.076 -5.924 -10.838 1.00 0.00 H new ATOM 114 N ARG A 7 -9.862 -2.205 -6.851 1.00 0.00 N ATOM 115 CA ARG A 7 -10.401 -1.138 -5.960 1.00 0.00 C ATOM 116 C ARG A 7 -9.738 0.206 -6.277 1.00 0.00 C ATOM 117 O ARG A 7 -8.620 0.466 -5.882 1.00 0.00 O ATOM 118 CB ARG A 7 -10.048 -1.588 -4.544 1.00 0.00 C ATOM 119 CG ARG A 7 -11.083 -1.038 -3.561 1.00 0.00 C ATOM 120 CD ARG A 7 -10.384 -0.175 -2.509 1.00 0.00 C ATOM 121 NE ARG A 7 -11.182 -0.363 -1.266 1.00 0.00 N ATOM 122 CZ ARG A 7 -10.694 0.009 -0.115 1.00 0.00 C ATOM 123 NH1 ARG A 7 -10.307 1.243 0.061 1.00 0.00 N ATOM 124 NH2 ARG A 7 -10.594 -0.851 0.861 1.00 0.00 N ATOM 0 H ARG A 7 -8.991 -2.634 -6.537 1.00 0.00 H new ATOM 0 HA ARG A 7 -11.474 -0.999 -6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.024 -2.677 -4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.052 -1.234 -4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.828 -0.447 -4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.613 -1.859 -3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.350 -0.488 -2.365 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.361 0.873 -2.809 1.00 0.00 H new ATOM 0 HE ARG A 7 -12.110 -0.783 -1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.386 1.916 -0.701 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.925 1.534 0.961 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.898 -1.815 0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.212 -0.559 1.761 1.00 0.00 H new ATOM 138 N TYR A 8 -10.423 1.061 -6.986 1.00 0.00 N ATOM 139 CA TYR A 8 -9.835 2.390 -7.325 1.00 0.00 C ATOM 140 C TYR A 8 -10.948 3.434 -7.470 1.00 0.00 C ATOM 141 O TYR A 8 -12.097 3.103 -7.683 1.00 0.00 O ATOM 142 CB TYR A 8 -9.104 2.174 -8.656 1.00 0.00 C ATOM 143 CG TYR A 8 -10.089 2.207 -9.802 1.00 0.00 C ATOM 144 CD1 TYR A 8 -10.865 1.079 -10.094 1.00 0.00 C ATOM 145 CD2 TYR A 8 -10.226 3.370 -10.569 1.00 0.00 C ATOM 146 CE1 TYR A 8 -11.778 1.114 -11.155 1.00 0.00 C ATOM 147 CE2 TYR A 8 -11.138 3.405 -11.630 1.00 0.00 C ATOM 148 CZ TYR A 8 -11.914 2.278 -11.923 1.00 0.00 C ATOM 149 OH TYR A 8 -12.814 2.312 -12.968 1.00 0.00 O ATOM 0 H TYR A 8 -11.364 0.898 -7.345 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.159 2.758 -6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.348 2.947 -8.794 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.583 1.217 -8.642 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.760 0.182 -9.501 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.628 4.240 -10.342 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -12.377 0.244 -11.381 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.243 4.302 -12.223 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.785 3.193 -13.396 1.00 0.00 H new ATOM 159 N PHE A 9 -10.618 4.692 -7.354 1.00 0.00 N ATOM 160 CA PHE A 9 -11.664 5.747 -7.484 1.00 0.00 C ATOM 161 C PHE A 9 -11.081 7.004 -8.136 1.00 0.00 C ATOM 162 O PHE A 9 -10.540 7.863 -7.470 1.00 0.00 O ATOM 163 CB PHE A 9 -12.106 6.050 -6.051 1.00 0.00 C ATOM 164 CG PHE A 9 -12.319 4.757 -5.301 1.00 0.00 C ATOM 165 CD1 PHE A 9 -13.401 3.930 -5.623 1.00 0.00 C ATOM 166 CD2 PHE A 9 -11.434 4.386 -4.281 1.00 0.00 C ATOM 167 CE1 PHE A 9 -13.599 2.732 -4.928 1.00 0.00 C ATOM 168 CE2 PHE A 9 -11.631 3.188 -3.584 1.00 0.00 C ATOM 169 CZ PHE A 9 -12.714 2.361 -3.908 1.00 0.00 C ATOM 0 H PHE A 9 -9.674 5.034 -7.176 1.00 0.00 H new ATOM 0 HA PHE A 9 -12.494 5.421 -8.110 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -11.351 6.654 -5.547 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -13.027 6.633 -6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -14.084 4.217 -6.409 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.599 5.024 -4.032 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -14.434 2.094 -5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.949 2.902 -2.797 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.867 1.437 -3.371 1.00 0.00 H new ATOM 179 N TYR A 10 -11.192 7.123 -9.432 1.00 0.00 N ATOM 180 CA TYR A 10 -10.648 8.334 -10.113 1.00 0.00 C ATOM 181 C TYR A 10 -11.032 9.583 -9.319 1.00 0.00 C ATOM 182 O TYR A 10 -12.149 9.715 -8.861 1.00 0.00 O ATOM 183 CB TYR A 10 -11.308 8.347 -11.492 1.00 0.00 C ATOM 184 CG TYR A 10 -10.520 9.241 -12.418 1.00 0.00 C ATOM 185 CD1 TYR A 10 -10.791 10.614 -12.464 1.00 0.00 C ATOM 186 CD2 TYR A 10 -9.516 8.699 -13.229 1.00 0.00 C ATOM 187 CE1 TYR A 10 -10.059 11.443 -13.321 1.00 0.00 C ATOM 188 CE2 TYR A 10 -8.785 9.528 -14.086 1.00 0.00 C ATOM 189 CZ TYR A 10 -9.056 10.901 -14.133 1.00 0.00 C ATOM 190 OH TYR A 10 -8.333 11.719 -14.978 1.00 0.00 O ATOM 0 H TYR A 10 -11.633 6.438 -10.046 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.561 8.320 -10.190 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -11.352 7.335 -11.896 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -12.335 8.703 -11.412 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -11.565 11.033 -11.838 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.306 7.640 -13.193 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.268 12.502 -13.356 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.011 9.109 -14.712 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.676 11.183 -15.469 1.00 0.00 H new ATOM 200 N ASN A 11 -10.119 10.497 -9.136 1.00 0.00 N ATOM 201 CA ASN A 11 -10.458 11.719 -8.355 1.00 0.00 C ATOM 202 C ASN A 11 -9.777 12.961 -8.937 1.00 0.00 C ATOM 203 O ASN A 11 -8.819 13.474 -8.387 1.00 0.00 O ATOM 204 CB ASN A 11 -9.941 11.440 -6.943 1.00 0.00 C ATOM 205 CG ASN A 11 -11.121 11.377 -5.972 1.00 0.00 C ATOM 206 OD1 ASN A 11 -11.010 11.792 -4.836 1.00 0.00 O ATOM 207 ND2 ASN A 11 -12.255 10.870 -6.373 1.00 0.00 N ATOM 0 H ASN A 11 -9.163 10.452 -9.489 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.529 11.922 -8.375 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.391 10.499 -6.925 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.246 12.222 -6.637 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.047 10.823 -5.732 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.349 10.521 -7.327 1.00 0.00 H new ATOM 214 N ALA A 12 -10.279 13.471 -10.030 1.00 0.00 N ATOM 215 CA ALA A 12 -9.673 14.700 -10.610 1.00 0.00 C ATOM 216 C ALA A 12 -9.826 15.829 -9.593 1.00 0.00 C ATOM 217 O ALA A 12 -9.966 15.567 -8.425 1.00 0.00 O ATOM 218 CB ALA A 12 -10.482 14.991 -11.875 1.00 0.00 C ATOM 0 H ALA A 12 -11.076 13.092 -10.541 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.614 14.594 -10.844 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.092 15.887 -12.358 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.404 14.146 -12.559 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.528 15.148 -11.610 1.00 0.00 H new ATOM 224 N LYS A 13 -9.806 17.065 -10.033 1.00 0.00 N ATOM 225 CA LYS A 13 -9.958 18.234 -9.105 1.00 0.00 C ATOM 226 C LYS A 13 -9.022 18.075 -7.915 1.00 0.00 C ATOM 227 O LYS A 13 -8.069 18.807 -7.746 1.00 0.00 O ATOM 228 CB LYS A 13 -11.420 18.199 -8.657 1.00 0.00 C ATOM 229 CG LYS A 13 -12.319 18.659 -9.808 1.00 0.00 C ATOM 230 CD LYS A 13 -11.800 19.987 -10.365 1.00 0.00 C ATOM 231 CE LYS A 13 -12.983 20.864 -10.785 1.00 0.00 C ATOM 232 NZ LYS A 13 -12.975 22.005 -9.828 1.00 0.00 N ATOM 0 H LYS A 13 -9.689 17.318 -11.014 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.707 19.182 -9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.693 17.189 -8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.561 18.845 -7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.335 17.904 -10.594 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.345 18.776 -9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.203 20.501 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.148 19.805 -11.219 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.873 21.210 -11.813 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.922 20.312 -10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.759 22.651 -10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.088 21.646 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.072 22.516 -9.904 1.00 0.00 H new ATOM 246 N ASP A 14 -9.271 17.084 -7.125 1.00 0.00 N ATOM 247 CA ASP A 14 -8.386 16.804 -5.971 1.00 0.00 C ATOM 248 C ASP A 14 -6.971 16.655 -6.512 1.00 0.00 C ATOM 249 O ASP A 14 -5.996 16.843 -5.813 1.00 0.00 O ATOM 250 CB ASP A 14 -8.892 15.487 -5.382 1.00 0.00 C ATOM 251 CG ASP A 14 -10.413 15.548 -5.224 1.00 0.00 C ATOM 252 OD1 ASP A 14 -11.086 15.712 -6.228 1.00 0.00 O ATOM 253 OD2 ASP A 14 -10.877 15.429 -4.103 1.00 0.00 O ATOM 0 H ASP A 14 -10.060 16.445 -7.228 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.387 17.585 -5.211 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.616 14.656 -6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.423 15.305 -4.415 1.00 0.00 H new ATOM 258 N GLY A 15 -6.859 16.353 -7.783 1.00 0.00 N ATOM 259 CA GLY A 15 -5.510 16.234 -8.402 1.00 0.00 C ATOM 260 C GLY A 15 -5.024 14.780 -8.456 1.00 0.00 C ATOM 261 O GLY A 15 -3.977 14.510 -9.008 1.00 0.00 O ATOM 0 H GLY A 15 -7.643 16.185 -8.413 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.538 16.644 -9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.798 16.833 -7.835 1.00 0.00 H new ATOM 265 N LEU A 16 -5.742 13.833 -7.910 1.00 0.00 N ATOM 266 CA LEU A 16 -5.228 12.430 -7.997 1.00 0.00 C ATOM 267 C LEU A 16 -6.347 11.399 -8.161 1.00 0.00 C ATOM 268 O LEU A 16 -7.498 11.640 -7.858 1.00 0.00 O ATOM 269 CB LEU A 16 -4.434 12.167 -6.704 1.00 0.00 C ATOM 270 CG LEU A 16 -5.191 12.639 -5.454 1.00 0.00 C ATOM 271 CD1 LEU A 16 -5.099 14.156 -5.343 1.00 0.00 C ATOM 272 CD2 LEU A 16 -6.661 12.215 -5.517 1.00 0.00 C ATOM 0 H LEU A 16 -6.630 13.959 -7.424 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.602 12.326 -8.883 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.224 11.101 -6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.473 12.678 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.735 12.178 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.637 14.489 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.053 14.452 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.541 14.613 -6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.178 12.560 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.129 12.654 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.724 11.128 -5.577 1.00 0.00 H new HETATM 284 N ABA A 17 -5.987 10.238 -8.634 1.00 0.00 N HETATM 285 CA ABA A 17 -6.976 9.144 -8.821 1.00 0.00 C HETATM 286 C ABA A 17 -6.489 7.921 -8.041 1.00 0.00 C HETATM 287 O ABA A 17 -5.878 7.026 -8.588 1.00 0.00 O HETATM 288 CB ABA A 17 -6.985 8.871 -10.331 1.00 0.00 C HETATM 289 CG ABA A 17 -7.439 7.433 -10.603 1.00 0.00 C HETATM 0 HG3 ABA A 17 -8.444 7.288 -10.207 1.00 0.00 H new HETATM 0 HG2 ABA A 17 -6.754 6.737 -10.118 1.00 0.00 H new HETATM 0 HG1 ABA A 17 -7.442 7.249 -11.677 1.00 0.00 H new HETATM 0 HB3 ABA A 17 -5.989 9.030 -10.743 1.00 0.00 H new HETATM 0 HB2 ABA A 17 -7.653 9.572 -10.831 1.00 0.00 H new HETATM 0 HA ABA A 17 -7.976 9.391 -8.465 1.00 0.00 H new ATOM 297 N GLN A 18 -6.732 7.892 -6.762 1.00 0.00 N ATOM 298 CA GLN A 18 -6.247 6.728 -5.952 1.00 0.00 C ATOM 299 C GLN A 18 -6.602 5.431 -6.680 1.00 0.00 C ATOM 300 O GLN A 18 -7.741 5.202 -7.032 1.00 0.00 O ATOM 301 CB GLN A 18 -6.946 6.759 -4.574 1.00 0.00 C ATOM 302 CG GLN A 18 -7.491 8.150 -4.216 1.00 0.00 C ATOM 303 CD GLN A 18 -6.396 9.215 -4.326 1.00 0.00 C ATOM 304 OE1 GLN A 18 -5.454 9.067 -5.078 1.00 0.00 O ATOM 305 NE2 GLN A 18 -6.496 10.302 -3.611 1.00 0.00 N ATOM 0 H GLN A 18 -7.238 8.610 -6.243 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.167 6.783 -5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.766 6.040 -4.571 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.241 6.441 -3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.317 8.403 -4.881 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.890 8.138 -3.202 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.287 10.426 -2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.783 11.028 -3.684 1.00 0.00 H new ATOM 314 N THR A 19 -5.640 4.582 -6.917 1.00 0.00 N ATOM 315 CA THR A 19 -5.946 3.310 -7.633 1.00 0.00 C ATOM 316 C THR A 19 -5.090 2.158 -7.100 1.00 0.00 C ATOM 317 O THR A 19 -3.882 2.151 -7.231 1.00 0.00 O ATOM 318 CB THR A 19 -5.613 3.591 -9.099 1.00 0.00 C ATOM 319 OG1 THR A 19 -6.485 4.596 -9.597 1.00 0.00 O ATOM 320 CG2 THR A 19 -5.786 2.311 -9.916 1.00 0.00 C ATOM 0 H THR A 19 -4.664 4.711 -6.649 1.00 0.00 H new ATOM 0 HA THR A 19 -6.985 3.009 -7.495 1.00 0.00 H new ATOM 0 HB THR A 19 -4.581 3.934 -9.179 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.382 4.666 -10.569 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.549 2.511 -10.961 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.116 1.541 -9.533 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.817 1.966 -9.838 1.00 0.00 H new ATOM 328 N PHE A 20 -5.719 1.176 -6.515 1.00 0.00 N ATOM 329 CA PHE A 20 -4.968 0.003 -5.984 1.00 0.00 C ATOM 330 C PHE A 20 -5.510 -1.269 -6.642 1.00 0.00 C ATOM 331 O PHE A 20 -6.698 -1.525 -6.612 1.00 0.00 O ATOM 332 CB PHE A 20 -5.252 0.001 -4.481 1.00 0.00 C ATOM 333 CG PHE A 20 -4.865 -1.334 -3.895 1.00 0.00 C ATOM 334 CD1 PHE A 20 -3.854 -2.095 -4.492 1.00 0.00 C ATOM 335 CD2 PHE A 20 -5.519 -1.811 -2.752 1.00 0.00 C ATOM 336 CE1 PHE A 20 -3.497 -3.334 -3.948 1.00 0.00 C ATOM 337 CE2 PHE A 20 -5.162 -3.050 -2.208 1.00 0.00 C ATOM 338 CZ PHE A 20 -4.150 -3.812 -2.806 1.00 0.00 C ATOM 0 H PHE A 20 -6.729 1.136 -6.381 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.898 0.049 -6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.692 0.799 -3.994 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.309 0.196 -4.300 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.349 -1.726 -5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.299 -1.223 -2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.717 -3.922 -4.410 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.667 -3.419 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.874 -4.768 -2.386 1.00 0.00 H new ATOM 348 N VAL A 21 -4.672 -2.061 -7.256 1.00 0.00 N ATOM 349 CA VAL A 21 -5.197 -3.290 -7.926 1.00 0.00 C ATOM 350 C VAL A 21 -4.155 -4.416 -7.929 1.00 0.00 C ATOM 351 O VAL A 21 -3.254 -4.439 -8.743 1.00 0.00 O ATOM 352 CB VAL A 21 -5.541 -2.851 -9.361 1.00 0.00 C ATOM 353 CG1 VAL A 21 -4.511 -1.839 -9.868 1.00 0.00 C ATOM 354 CG2 VAL A 21 -5.541 -4.064 -10.295 1.00 0.00 C ATOM 0 H VAL A 21 -3.665 -1.916 -7.324 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.065 -3.692 -7.403 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.530 -2.392 -9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.767 -1.537 -10.884 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.511 -0.964 -9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.521 -2.294 -9.863 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.785 -3.743 -11.308 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.555 -4.528 -10.289 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.283 -4.786 -9.954 1.00 0.00 H new ATOM 364 N TYR A 22 -4.297 -5.360 -7.033 1.00 0.00 N ATOM 365 CA TYR A 22 -3.346 -6.514 -6.972 1.00 0.00 C ATOM 366 C TYR A 22 -3.499 -7.249 -5.636 1.00 0.00 C ATOM 367 O TYR A 22 -3.098 -6.759 -4.599 1.00 0.00 O ATOM 368 CB TYR A 22 -1.944 -5.915 -7.089 1.00 0.00 C ATOM 369 CG TYR A 22 -1.272 -6.455 -8.330 1.00 0.00 C ATOM 370 CD1 TYR A 22 -2.013 -6.625 -9.503 1.00 0.00 C ATOM 371 CD2 TYR A 22 0.089 -6.787 -8.308 1.00 0.00 C ATOM 372 CE1 TYR A 22 -1.396 -7.127 -10.656 1.00 0.00 C ATOM 373 CE2 TYR A 22 0.706 -7.289 -9.460 1.00 0.00 C ATOM 374 CZ TYR A 22 -0.037 -7.458 -10.635 1.00 0.00 C ATOM 375 OH TYR A 22 0.572 -7.951 -11.772 1.00 0.00 O ATOM 0 H TYR A 22 -5.039 -5.381 -6.333 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.537 -7.234 -7.767 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.004 -4.828 -7.138 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.355 -6.163 -6.206 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.062 -6.369 -9.520 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.662 -6.656 -7.402 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.970 -7.259 -11.562 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.755 -7.546 -9.443 1.00 0.00 H new ATOM 0 HH TYR A 22 1.518 -8.129 -11.586 1.00 0.00 H new ATOM 385 N GLY A 23 -4.077 -8.420 -5.655 1.00 0.00 N ATOM 386 CA GLY A 23 -4.258 -9.184 -4.386 1.00 0.00 C ATOM 387 C GLY A 23 -3.219 -10.307 -4.308 1.00 0.00 C ATOM 388 O GLY A 23 -3.236 -11.236 -5.091 1.00 0.00 O ATOM 0 H GLY A 23 -4.431 -8.881 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.152 -8.517 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.264 -9.602 -4.342 1.00 0.00 H new ATOM 392 N GLY A 24 -2.316 -10.230 -3.368 1.00 0.00 N ATOM 393 CA GLY A 24 -1.278 -11.294 -3.243 1.00 0.00 C ATOM 394 C GLY A 24 -1.708 -12.307 -2.179 1.00 0.00 C ATOM 395 O GLY A 24 -0.890 -12.939 -1.542 1.00 0.00 O ATOM 0 H GLY A 24 -2.252 -9.478 -2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.138 -11.795 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.319 -10.851 -2.972 1.00 0.00 H new ATOM 399 N CYS A 25 -2.989 -12.465 -1.983 1.00 0.00 N ATOM 400 CA CYS A 25 -3.477 -13.437 -0.959 1.00 0.00 C ATOM 401 C CYS A 25 -2.899 -13.095 0.417 1.00 0.00 C ATOM 402 O CYS A 25 -1.760 -13.401 0.710 1.00 0.00 O ATOM 403 CB CYS A 25 -2.970 -14.802 -1.432 1.00 0.00 C ATOM 404 SG CYS A 25 -4.331 -15.994 -1.402 1.00 0.00 S ATOM 0 H CYS A 25 -3.720 -11.963 -2.487 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.562 -13.419 -0.859 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.565 -14.722 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.159 -15.144 -0.789 1.00 0.00 H new HETATM 409 N NH2 A 26 -3.646 -12.470 1.286 1.00 0.00 N TER 412 NH2 A 26 HETATM 413 CA MPT B 1 5.860 -16.832 -5.855 1.00 0.00 C HETATM 414 C MPT B 1 4.998 -15.927 -6.744 1.00 0.00 C HETATM 415 O MPT B 1 5.470 -15.354 -7.706 1.00 0.00 O HETATM 416 CB MPT B 1 6.269 -16.086 -4.588 1.00 0.00 C HETATM 417 SG MPT B 1 7.910 -15.359 -4.819 1.00 0.00 S HETATM 0 HB2 MPT B 1 5.542 -15.306 -4.362 1.00 0.00 H new HETATM 0 HB1 MPT B 1 6.278 -16.769 -3.738 1.00 0.00 H new HETATM 0 HA2 MPT B 1 5.305 -17.733 -5.593 1.00 0.00 H new HETATM 0 HA1 MPT B 1 6.748 -17.152 -6.401 1.00 0.00 H new ATOM 422 N LYS B 2 3.739 -15.797 -6.429 1.00 0.00 N ATOM 423 CA LYS B 2 2.850 -14.931 -7.257 1.00 0.00 C ATOM 424 C LYS B 2 2.262 -13.805 -6.402 1.00 0.00 C ATOM 425 O LYS B 2 1.062 -13.621 -6.340 1.00 0.00 O ATOM 426 CB LYS B 2 1.744 -15.863 -7.755 1.00 0.00 C ATOM 427 CG LYS B 2 2.197 -16.544 -9.048 1.00 0.00 C ATOM 428 CD LYS B 2 1.757 -18.009 -9.037 1.00 0.00 C ATOM 429 CE LYS B 2 2.812 -18.864 -9.743 1.00 0.00 C ATOM 430 NZ LYS B 2 2.364 -20.270 -9.545 1.00 0.00 N ATOM 0 H LYS B 2 3.287 -16.252 -5.636 1.00 0.00 H new ATOM 0 HA LYS B 2 3.384 -14.456 -8.080 1.00 0.00 H new ATOM 0 HB2 LYS B 2 1.516 -16.612 -6.997 1.00 0.00 H new ATOM 0 HB3 LYS B 2 0.829 -15.298 -7.930 1.00 0.00 H new ATOM 0 HG2 LYS B 2 1.769 -16.032 -9.910 1.00 0.00 H new ATOM 0 HG3 LYS B 2 3.281 -16.480 -9.144 1.00 0.00 H new ATOM 0 HD2 LYS B 2 1.623 -18.352 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS B 2 0.794 -18.114 -9.537 1.00 0.00 H new ATOM 0 HE2 LYS B 2 2.877 -18.616 -10.802 1.00 0.00 H new ATOM 0 HE3 LYS B 2 3.802 -18.701 -9.316 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 3.038 -20.917 -10.002 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 2.318 -20.480 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 1.422 -20.397 -9.967 1.00 0.00 H new ATOM 444 N ALA B 3 3.098 -13.049 -5.743 1.00 0.00 N ATOM 445 CA ALA B 3 2.588 -11.934 -4.894 1.00 0.00 C ATOM 446 C ALA B 3 2.094 -10.782 -5.774 1.00 0.00 C ATOM 447 O ALA B 3 2.669 -10.485 -6.802 1.00 0.00 O ATOM 448 CB ALA B 3 3.791 -11.495 -4.057 1.00 0.00 C ATOM 0 H ALA B 3 4.112 -13.155 -5.756 1.00 0.00 H new ATOM 0 HA ALA B 3 1.747 -12.238 -4.271 1.00 0.00 H new ATOM 0 HB1 ALA B 3 3.499 -10.674 -3.402 1.00 0.00 H new ATOM 0 HB2 ALA B 3 4.140 -12.333 -3.454 1.00 0.00 H new ATOM 0 HB3 ALA B 3 4.593 -11.164 -4.717 1.00 0.00 H new ATOM 454 N ARG B 4 1.030 -10.131 -5.382 1.00 0.00 N ATOM 455 CA ARG B 4 0.506 -9.002 -6.204 1.00 0.00 C ATOM 456 C ARG B 4 -0.125 -7.929 -5.310 1.00 0.00 C ATOM 457 O ARG B 4 -1.168 -8.131 -4.719 1.00 0.00 O ATOM 458 CB ARG B 4 -0.555 -9.630 -7.108 1.00 0.00 C ATOM 459 CG ARG B 4 0.125 -10.468 -8.191 1.00 0.00 C ATOM 460 CD ARG B 4 -0.549 -10.202 -9.538 1.00 0.00 C ATOM 461 NE ARG B 4 -1.029 -11.534 -9.998 1.00 0.00 N ATOM 462 CZ ARG B 4 -1.519 -11.671 -11.200 1.00 0.00 C ATOM 463 NH1 ARG B 4 -1.114 -10.890 -12.164 1.00 0.00 N ATOM 464 NH2 ARG B 4 -2.415 -12.590 -11.438 1.00 0.00 N ATOM 0 H ARG B 4 0.504 -10.332 -4.532 1.00 0.00 H new ATOM 0 HA ARG B 4 1.296 -8.512 -6.773 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -1.226 -10.255 -6.518 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -1.165 -8.851 -7.566 1.00 0.00 H new ATOM 0 HG2 ARG B 4 1.185 -10.219 -8.247 1.00 0.00 H new ATOM 0 HG3 ARG B 4 0.059 -11.527 -7.942 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -1.375 -9.499 -9.434 1.00 0.00 H new ATOM 0 HD3 ARG B 4 0.152 -9.767 -10.251 1.00 0.00 H new ATOM 0 HE ARG B 4 -0.975 -12.339 -9.374 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -0.414 -10.172 -11.978 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -1.498 -10.998 -13.103 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -2.732 -13.201 -10.685 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -2.798 -12.698 -12.377 1.00 0.00 H new ATOM 478 N ILE B 5 0.498 -6.786 -5.217 1.00 0.00 N ATOM 479 CA ILE B 5 -0.063 -5.687 -4.369 1.00 0.00 C ATOM 480 C ILE B 5 0.323 -4.323 -4.951 1.00 0.00 C ATOM 481 O ILE B 5 0.600 -3.382 -4.234 1.00 0.00 O ATOM 482 CB ILE B 5 0.543 -5.868 -2.967 1.00 0.00 C ATOM 483 CG1 ILE B 5 1.840 -6.690 -3.034 1.00 0.00 C ATOM 484 CG2 ILE B 5 -0.462 -6.592 -2.072 1.00 0.00 C ATOM 485 CD1 ILE B 5 2.830 -6.020 -3.989 1.00 0.00 C ATOM 0 H ILE B 5 1.373 -6.562 -5.691 1.00 0.00 H new ATOM 0 HA ILE B 5 -1.152 -5.728 -4.332 1.00 0.00 H new ATOM 0 HB ILE B 5 0.773 -4.884 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE B 5 2.280 -6.774 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE B 5 1.622 -7.703 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE B 5 -0.036 -6.722 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE B 5 -1.376 -6.003 -2.001 1.00 0.00 H new ATOM 0 HG23 ILE B 5 -0.692 -7.568 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE B 5 3.747 -6.607 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE B 5 2.391 -5.959 -4.985 1.00 0.00 H new ATOM 0 HD13 ILE B 5 3.058 -5.016 -3.631 1.00 0.00 H new ATOM 497 N ILE B 6 0.348 -4.221 -6.248 1.00 0.00 N ATOM 498 CA ILE B 6 0.723 -2.935 -6.900 1.00 0.00 C ATOM 499 C ILE B 6 -0.369 -1.880 -6.694 1.00 0.00 C ATOM 500 O ILE B 6 -1.555 -2.166 -6.731 1.00 0.00 O ATOM 501 CB ILE B 6 0.866 -3.274 -8.382 1.00 0.00 C ATOM 502 CG1 ILE B 6 2.046 -4.232 -8.571 1.00 0.00 C ATOM 503 CG2 ILE B 6 1.121 -1.993 -9.177 1.00 0.00 C ATOM 504 CD1 ILE B 6 1.993 -4.837 -9.975 1.00 0.00 C ATOM 0 H ILE B 6 0.123 -4.980 -6.892 1.00 0.00 H new ATOM 0 HA ILE B 6 1.639 -2.518 -6.481 1.00 0.00 H new ATOM 0 HB ILE B 6 -0.050 -3.746 -8.737 1.00 0.00 H new ATOM 0 HG12 ILE B 6 2.987 -3.700 -8.428 1.00 0.00 H new ATOM 0 HG13 ILE B 6 2.010 -5.022 -7.821 1.00 0.00 H new ATOM 0 HG21 ILE B 6 1.223 -2.235 -10.235 1.00 0.00 H new ATOM 0 HG22 ILE B 6 0.284 -1.308 -9.041 1.00 0.00 H new ATOM 0 HG23 ILE B 6 2.038 -1.521 -8.823 1.00 0.00 H new ATOM 0 HD11 ILE B 6 2.833 -5.519 -10.109 1.00 0.00 H new ATOM 0 HD12 ILE B 6 1.058 -5.383 -10.101 1.00 0.00 H new ATOM 0 HD13 ILE B 6 2.050 -4.040 -10.717 1.00 0.00 H new ATOM 516 N ARG B 7 0.029 -0.655 -6.481 1.00 0.00 N ATOM 517 CA ARG B 7 -0.963 0.435 -6.274 1.00 0.00 C ATOM 518 C ARG B 7 -0.534 1.687 -7.042 1.00 0.00 C ATOM 519 O ARG B 7 0.640 1.994 -7.139 1.00 0.00 O ATOM 520 CB ARG B 7 -0.944 0.704 -4.769 1.00 0.00 C ATOM 521 CG ARG B 7 -2.373 0.908 -4.265 1.00 0.00 C ATOM 522 CD ARG B 7 -2.349 1.755 -2.991 1.00 0.00 C ATOM 523 NE ARG B 7 -2.928 0.877 -1.936 1.00 0.00 N ATOM 524 CZ ARG B 7 -2.144 0.297 -1.067 1.00 0.00 C ATOM 525 NH1 ARG B 7 -1.755 0.946 -0.004 1.00 0.00 N ATOM 526 NH2 ARG B 7 -1.752 -0.932 -1.263 1.00 0.00 N ATOM 0 H ARG B 7 1.005 -0.362 -6.442 1.00 0.00 H new ATOM 0 HA ARG B 7 -1.957 0.164 -6.630 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -0.479 -0.132 -4.246 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -0.343 1.588 -4.555 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -2.973 1.400 -5.030 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -2.840 -0.056 -4.065 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -1.333 2.059 -2.738 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -2.934 2.667 -3.112 1.00 0.00 H new ATOM 0 HE ARG B 7 -3.936 0.729 -1.892 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -2.063 1.906 0.148 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -1.143 0.493 0.675 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -2.058 -1.438 -2.094 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -1.140 -1.386 -0.585 1.00 0.00 H new ATOM 540 N TYR B 8 -1.481 2.412 -7.582 1.00 0.00 N ATOM 541 CA TYR B 8 -1.148 3.654 -8.343 1.00 0.00 C ATOM 542 C TYR B 8 -1.801 4.870 -7.658 1.00 0.00 C ATOM 543 O TYR B 8 -3.011 4.968 -7.599 1.00 0.00 O ATOM 544 CB TYR B 8 -1.756 3.448 -9.738 1.00 0.00 C ATOM 545 CG TYR B 8 -1.553 2.025 -10.215 1.00 0.00 C ATOM 546 CD1 TYR B 8 -0.271 1.470 -10.247 1.00 0.00 C ATOM 547 CD2 TYR B 8 -2.649 1.266 -10.646 1.00 0.00 C ATOM 548 CE1 TYR B 8 -0.079 0.163 -10.706 1.00 0.00 C ATOM 549 CE2 TYR B 8 -2.458 -0.044 -11.104 1.00 0.00 C ATOM 550 CZ TYR B 8 -1.173 -0.594 -11.134 1.00 0.00 C ATOM 551 OH TYR B 8 -0.984 -1.884 -11.586 1.00 0.00 O ATOM 0 H TYR B 8 -2.476 2.195 -7.528 1.00 0.00 H new ATOM 0 HA TYR B 8 -0.074 3.835 -8.390 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -2.821 3.678 -9.712 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -1.298 4.141 -10.444 1.00 0.00 H new ATOM 0 HD1 TYR B 8 0.576 2.053 -9.916 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -3.642 1.691 -10.625 1.00 0.00 H new ATOM 0 HE1 TYR B 8 0.914 -0.261 -10.730 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -3.304 -0.629 -11.434 1.00 0.00 H new ATOM 0 HH TYR B 8 -1.847 -2.270 -11.844 1.00 0.00 H new ATOM 561 N PHE B 9 -1.028 5.794 -7.127 1.00 0.00 N ATOM 562 CA PHE B 9 -1.658 6.979 -6.443 1.00 0.00 C ATOM 563 C PHE B 9 -0.759 8.242 -6.476 1.00 0.00 C ATOM 564 O PHE B 9 0.103 8.415 -5.643 1.00 0.00 O ATOM 565 CB PHE B 9 -1.868 6.492 -5.000 1.00 0.00 C ATOM 566 CG PHE B 9 -2.144 7.654 -4.064 1.00 0.00 C ATOM 567 CD1 PHE B 9 -1.081 8.311 -3.432 1.00 0.00 C ATOM 568 CD2 PHE B 9 -3.461 8.061 -3.811 1.00 0.00 C ATOM 569 CE1 PHE B 9 -1.328 9.371 -2.556 1.00 0.00 C ATOM 570 CE2 PHE B 9 -3.705 9.123 -2.932 1.00 0.00 C ATOM 571 CZ PHE B 9 -2.640 9.777 -2.305 1.00 0.00 C ATOM 0 H PHE B 9 -0.008 5.782 -7.136 1.00 0.00 H new ATOM 0 HA PHE B 9 -2.579 7.288 -6.938 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -2.701 5.790 -4.968 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -0.983 5.952 -4.663 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -0.065 7.997 -3.623 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -4.286 7.557 -4.293 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -0.504 9.876 -2.073 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -4.719 9.438 -2.738 1.00 0.00 H new ATOM 0 HZ PHE B 9 -2.832 10.596 -1.627 1.00 0.00 H new ATOM 581 N TYR B 10 -0.972 9.152 -7.406 1.00 0.00 N ATOM 582 CA TYR B 10 -0.144 10.414 -7.420 1.00 0.00 C ATOM 583 C TYR B 10 -1.060 11.623 -7.620 1.00 0.00 C ATOM 584 O TYR B 10 -2.231 11.483 -7.913 1.00 0.00 O ATOM 585 CB TYR B 10 0.863 10.345 -8.582 1.00 0.00 C ATOM 586 CG TYR B 10 2.203 10.853 -8.107 1.00 0.00 C ATOM 587 CD1 TYR B 10 3.121 9.968 -7.528 1.00 0.00 C ATOM 588 CD2 TYR B 10 2.528 12.208 -8.242 1.00 0.00 C ATOM 589 CE1 TYR B 10 4.363 10.437 -7.085 1.00 0.00 C ATOM 590 CE2 TYR B 10 3.771 12.678 -7.799 1.00 0.00 C ATOM 591 CZ TYR B 10 4.688 11.792 -7.221 1.00 0.00 C ATOM 592 OH TYR B 10 5.913 12.255 -6.784 1.00 0.00 O ATOM 0 H TYR B 10 -1.671 9.080 -8.145 1.00 0.00 H new ATOM 0 HA TYR B 10 0.388 10.512 -6.474 1.00 0.00 H new ATOM 0 HB2 TYR B 10 0.955 9.319 -8.939 1.00 0.00 H new ATOM 0 HB3 TYR B 10 0.510 10.944 -9.421 1.00 0.00 H new ATOM 0 HD1 TYR B 10 2.870 8.923 -7.423 1.00 0.00 H new ATOM 0 HD2 TYR B 10 1.820 12.891 -8.688 1.00 0.00 H new ATOM 0 HE1 TYR B 10 5.070 9.754 -6.638 1.00 0.00 H new ATOM 0 HE2 TYR B 10 4.022 13.723 -7.903 1.00 0.00 H new ATOM 0 HH TYR B 10 5.978 13.218 -6.954 1.00 0.00 H new ATOM 602 N ASN B 11 -0.536 12.809 -7.471 1.00 0.00 N ATOM 603 CA ASN B 11 -1.380 14.025 -7.658 1.00 0.00 C ATOM 604 C ASN B 11 -0.833 14.877 -8.808 1.00 0.00 C ATOM 605 O ASN B 11 -1.151 16.043 -8.934 1.00 0.00 O ATOM 606 CB ASN B 11 -1.287 14.783 -6.334 1.00 0.00 C ATOM 607 CG ASN B 11 0.093 15.433 -6.211 1.00 0.00 C ATOM 608 OD1 ASN B 11 1.056 14.779 -5.861 1.00 0.00 O ATOM 609 ND2 ASN B 11 0.230 16.701 -6.486 1.00 0.00 N ATOM 0 H ASN B 11 0.438 12.989 -7.228 1.00 0.00 H new ATOM 0 HA ASN B 11 -2.411 13.777 -7.911 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -2.065 15.545 -6.284 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -1.455 14.101 -5.500 1.00 0.00 H new ATOM 0 HD21 ASN B 11 1.145 17.144 -6.407 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -0.578 17.249 -6.780 1.00 0.00 H new ATOM 616 N ALA B 12 -0.012 14.305 -9.646 1.00 0.00 N ATOM 617 CA ALA B 12 0.554 15.082 -10.786 1.00 0.00 C ATOM 618 C ALA B 12 -0.349 14.956 -12.017 1.00 0.00 C ATOM 619 O ALA B 12 -1.031 13.968 -12.199 1.00 0.00 O ATOM 620 CB ALA B 12 1.920 14.450 -11.059 1.00 0.00 C ATOM 0 H ALA B 12 0.292 13.333 -9.591 1.00 0.00 H new ATOM 0 HA ALA B 12 0.634 16.145 -10.558 1.00 0.00 H new ATOM 0 HB1 ALA B 12 2.402 14.968 -11.888 1.00 0.00 H new ATOM 0 HB2 ALA B 12 2.543 14.532 -10.169 1.00 0.00 H new ATOM 0 HB3 ALA B 12 1.790 13.399 -11.315 1.00 0.00 H new ATOM 626 N LYS B 13 -0.357 15.949 -12.863 1.00 0.00 N ATOM 627 CA LYS B 13 -1.213 15.884 -14.082 1.00 0.00 C ATOM 628 C LYS B 13 -0.958 14.575 -14.835 1.00 0.00 C ATOM 629 O LYS B 13 -0.075 14.488 -15.665 1.00 0.00 O ATOM 630 CB LYS B 13 -0.787 17.081 -14.932 1.00 0.00 C ATOM 631 CG LYS B 13 -1.010 18.373 -14.143 1.00 0.00 C ATOM 632 CD LYS B 13 0.070 19.391 -14.514 1.00 0.00 C ATOM 633 CE LYS B 13 1.448 18.825 -14.165 1.00 0.00 C ATOM 634 NZ LYS B 13 2.106 18.576 -15.477 1.00 0.00 N ATOM 0 H LYS B 13 0.192 16.803 -12.763 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.276 15.913 -13.842 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.263 16.988 -15.209 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -1.360 17.105 -15.859 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -1.998 18.779 -14.361 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.979 18.168 -13.073 1.00 0.00 H new ATOM 0 HD2 LYS B 13 0.018 19.620 -15.578 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -0.097 20.326 -13.978 1.00 0.00 H new ATOM 0 HE2 LYS B 13 2.023 19.529 -13.563 1.00 0.00 H new ATOM 0 HE3 LYS B 13 1.362 17.906 -13.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 2.727 17.745 -15.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 1.381 18.401 -16.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 2.670 19.407 -15.746 1.00 0.00 H new ATOM 648 N ASP B 14 -1.722 13.556 -14.550 1.00 0.00 N ATOM 649 CA ASP B 14 -1.519 12.256 -15.250 1.00 0.00 C ATOM 650 C ASP B 14 -0.062 11.806 -15.114 1.00 0.00 C ATOM 651 O ASP B 14 0.515 11.251 -16.029 1.00 0.00 O ATOM 652 CB ASP B 14 -1.861 12.536 -16.714 1.00 0.00 C ATOM 653 CG ASP B 14 -3.362 12.344 -16.935 1.00 0.00 C ATOM 654 OD1 ASP B 14 -4.130 12.964 -16.219 1.00 0.00 O ATOM 655 OD2 ASP B 14 -3.718 11.578 -17.816 1.00 0.00 O ATOM 0 H ASP B 14 -2.477 13.567 -13.864 1.00 0.00 H new ATOM 0 HA ASP B 14 -2.137 11.461 -14.833 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -1.571 13.553 -16.978 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -1.299 11.866 -17.364 1.00 0.00 H new ATOM 660 N GLY B 15 0.539 12.044 -13.980 1.00 0.00 N ATOM 661 CA GLY B 15 1.959 11.632 -13.788 1.00 0.00 C ATOM 662 C GLY B 15 2.011 10.193 -13.272 1.00 0.00 C ATOM 663 O GLY B 15 2.821 9.853 -12.435 1.00 0.00 O ATOM 0 H GLY B 15 0.109 12.506 -13.179 1.00 0.00 H new ATOM 0 HA2 GLY B 15 2.502 11.711 -14.730 1.00 0.00 H new ATOM 0 HA3 GLY B 15 2.450 12.301 -13.081 1.00 0.00 H new HETATM 667 N CLH B 16 1.151 9.344 -13.766 1.00 0.00 N HETATM 668 CA CLH B 16 1.151 7.927 -13.305 1.00 0.00 C HETATM 669 CB CLH B 16 2.525 7.381 -13.697 1.00 0.00 C HETATM 670 CG CLH B 16 2.451 5.858 -13.822 1.00 0.00 C HETATM 671 CD CLH B 16 1.534 5.483 -14.988 1.00 0.00 C HETATM 672 CE CLH B 16 0.322 4.713 -14.458 1.00 0.00 C HETATM 673 NZ CLH B 16 -0.077 3.808 -15.571 1.00 0.00 N HETATM 674 CH CLH B 16 -1.068 2.974 -15.411 1.00 0.00 C HETATM 675 OI CLH B 16 -1.681 2.918 -14.364 1.00 0.00 O HETATM 676 CI CLH B 16 -1.431 2.071 -16.592 1.00 0.00 C HETATM 677 NJ CLH B 16 -1.903 0.751 -16.084 1.00 0.00 N HETATM 678 CK CLH B 16 -3.094 0.321 -16.396 1.00 0.00 C HETATM 679 OL CLH B 16 -3.886 0.923 -17.094 1.00 0.00 O HETATM 680 C CLH B 16 0.961 7.862 -11.787 1.00 0.00 C HETATM 681 O CLH B 16 1.912 7.861 -11.032 1.00 0.00 O HETATM 682 CL CLH B 16 -3.360 -0.914 -15.841 1.00 0.00 C HETATM 0 HZ CLH B 16 0.424 3.840 -16.459 1.00 0.00 H new HETATM 0 HNJ CLH B 16 -1.295 0.185 -15.493 1.00 0.00 H new HETATM 0 HI2 CLH B 16 -2.209 2.539 -17.196 1.00 0.00 H new HETATM 0 HI1 CLH B 16 -0.564 1.935 -17.239 1.00 0.00 H new HETATM 0 HG3 CLH B 16 3.448 5.447 -13.983 1.00 0.00 H new HETATM 0 HG2 CLH B 16 2.074 5.425 -12.896 1.00 0.00 H new HETATM 0 HE3 CLH B 16 0.575 4.148 -13.561 1.00 0.00 H new HETATM 0 HE2 CLH B 16 -0.489 5.390 -14.190 1.00 0.00 H new HETATM 0 HD3 CLH B 16 1.207 6.382 -15.511 1.00 0.00 H new HETATM 0 HD2 CLH B 16 2.077 4.874 -15.710 1.00 0.00 H new HETATM 0 HB3 CLH B 16 2.846 7.819 -14.642 1.00 0.00 H new HETATM 0 HB2 CLH B 16 3.266 7.660 -12.948 1.00 0.00 H new HETATM 0 HA CLH B 16 0.341 7.350 -13.751 1.00 0.00 H new HETATM 698 N ABA B 17 -0.263 7.804 -11.339 1.00 0.00 N HETATM 699 CA ABA B 17 -0.523 7.734 -9.870 1.00 0.00 C HETATM 700 C ABA B 17 0.484 6.774 -9.198 1.00 0.00 C HETATM 701 O ABA B 17 0.654 5.654 -9.633 1.00 0.00 O HETATM 702 CB ABA B 17 -1.968 7.233 -9.748 1.00 0.00 C HETATM 703 CG ABA B 17 -2.263 6.189 -10.827 1.00 0.00 C HETATM 0 HN2 ABA B 17 -0.843 8.397 -11.932 1.00 0.00 H new HETATM 0 HG3 ABA B 17 -1.584 5.344 -10.712 1.00 0.00 H new HETATM 0 HG2 ABA B 17 -2.124 6.634 -11.812 1.00 0.00 H new HETATM 0 HG1 ABA B 17 -3.292 5.843 -10.727 1.00 0.00 H new HETATM 0 HB3 ABA B 17 -2.659 8.070 -9.844 1.00 0.00 H new HETATM 0 HB2 ABA B 17 -2.127 6.800 -8.761 1.00 0.00 H new HETATM 0 HA ABA B 17 -0.399 8.695 -9.370 1.00 0.00 H new ATOM 711 N GLN B 18 1.162 7.233 -8.154 1.00 0.00 N ATOM 712 CA GLN B 18 2.189 6.407 -7.426 1.00 0.00 C ATOM 713 C GLN B 18 2.071 4.921 -7.751 1.00 0.00 C ATOM 714 O GLN B 18 1.411 4.176 -7.057 1.00 0.00 O ATOM 715 CB GLN B 18 1.905 6.644 -5.939 1.00 0.00 C ATOM 716 CG GLN B 18 2.772 5.704 -5.098 1.00 0.00 C ATOM 717 CD GLN B 18 2.427 5.875 -3.618 1.00 0.00 C ATOM 718 OE1 GLN B 18 1.947 7.013 -3.199 1.00 0.00 O flip ATOM 719 NE2 GLN B 18 2.597 4.963 -2.834 1.00 0.00 N flip ATOM 0 H GLN B 18 1.038 8.170 -7.772 1.00 0.00 H new ATOM 0 HA GLN B 18 3.198 6.696 -7.719 1.00 0.00 H new ATOM 0 HB2 GLN B 18 2.116 7.681 -5.678 1.00 0.00 H new ATOM 0 HB3 GLN B 18 0.850 6.470 -5.727 1.00 0.00 H new ATOM 0 HG2 GLN B 18 2.607 4.671 -5.403 1.00 0.00 H new ATOM 0 HG3 GLN B 18 3.827 5.921 -5.263 1.00 0.00 H new ATOM 0 HE21 GLN B 18 2.972 4.073 -3.161 1.00 0.00 H new ATOM 0 HE22 GLN B 18 2.364 5.087 -1.849 1.00 0.00 H new ATOM 728 N THR B 19 2.708 4.487 -8.802 1.00 0.00 N ATOM 729 CA THR B 19 2.628 3.049 -9.171 1.00 0.00 C ATOM 730 C THR B 19 3.869 2.292 -8.700 1.00 0.00 C ATOM 731 O THR B 19 4.933 2.407 -9.275 1.00 0.00 O ATOM 732 CB THR B 19 2.538 3.035 -10.698 1.00 0.00 C ATOM 733 OG1 THR B 19 1.329 3.661 -11.106 1.00 0.00 O ATOM 734 CG2 THR B 19 2.561 1.591 -11.200 1.00 0.00 C ATOM 0 H THR B 19 3.279 5.065 -9.419 1.00 0.00 H new ATOM 0 HA THR B 19 1.774 2.559 -8.703 1.00 0.00 H new ATOM 0 HB THR B 19 3.387 3.576 -11.116 1.00 0.00 H new ATOM 0 HG1 THR B 19 0.661 2.976 -11.319 1.00 0.00 H new ATOM 0 HG21 THR B 19 2.497 1.583 -12.288 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.489 1.112 -10.888 1.00 0.00 H new ATOM 0 HG23 THR B 19 1.714 1.047 -10.783 1.00 0.00 H new ATOM 742 N PHE B 20 3.736 1.505 -7.667 1.00 0.00 N ATOM 743 CA PHE B 20 4.912 0.728 -7.176 1.00 0.00 C ATOM 744 C PHE B 20 4.583 -0.767 -7.174 1.00 0.00 C ATOM 745 O PHE B 20 3.468 -1.165 -6.899 1.00 0.00 O ATOM 746 CB PHE B 20 5.177 1.230 -5.754 1.00 0.00 C ATOM 747 CG PHE B 20 3.912 1.150 -4.935 1.00 0.00 C ATOM 748 CD1 PHE B 20 3.395 -0.095 -4.559 1.00 0.00 C ATOM 749 CD2 PHE B 20 3.259 2.325 -4.547 1.00 0.00 C ATOM 750 CE1 PHE B 20 2.224 -0.165 -3.796 1.00 0.00 C ATOM 751 CE2 PHE B 20 2.087 2.256 -3.783 1.00 0.00 C ATOM 752 CZ PHE B 20 1.571 1.011 -3.408 1.00 0.00 C ATOM 0 H PHE B 20 2.871 1.366 -7.144 1.00 0.00 H new ATOM 0 HA PHE B 20 5.788 0.863 -7.811 1.00 0.00 H new ATOM 0 HB2 PHE B 20 5.960 0.632 -5.288 1.00 0.00 H new ATOM 0 HB3 PHE B 20 5.537 2.259 -5.784 1.00 0.00 H new ATOM 0 HD1 PHE B 20 3.900 -1.002 -4.858 1.00 0.00 H new ATOM 0 HD2 PHE B 20 3.659 3.286 -4.837 1.00 0.00 H new ATOM 0 HE1 PHE B 20 1.824 -1.126 -3.507 1.00 0.00 H new ATOM 0 HE2 PHE B 20 1.582 3.163 -3.484 1.00 0.00 H new ATOM 0 HZ PHE B 20 0.668 0.957 -2.818 1.00 0.00 H new ATOM 762 N VAL B 21 5.539 -1.598 -7.490 1.00 0.00 N ATOM 763 CA VAL B 21 5.270 -3.064 -7.514 1.00 0.00 C ATOM 764 C VAL B 21 6.289 -3.811 -6.649 1.00 0.00 C ATOM 765 O VAL B 21 7.394 -3.353 -6.436 1.00 0.00 O ATOM 766 CB VAL B 21 5.414 -3.469 -8.981 1.00 0.00 C ATOM 767 CG1 VAL B 21 4.611 -2.507 -9.859 1.00 0.00 C ATOM 768 CG2 VAL B 21 6.889 -3.413 -9.383 1.00 0.00 C ATOM 0 H VAL B 21 6.492 -1.326 -7.732 1.00 0.00 H new ATOM 0 HA VAL B 21 4.284 -3.306 -7.117 1.00 0.00 H new ATOM 0 HB VAL B 21 5.038 -4.483 -9.115 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.714 -2.797 -10.905 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.560 -2.546 -9.574 1.00 0.00 H new ATOM 0 HG13 VAL B 21 4.986 -1.492 -9.725 1.00 0.00 H new ATOM 0 HG21 VAL B 21 6.992 -3.702 -10.429 1.00 0.00 H new ATOM 0 HG22 VAL B 21 7.265 -2.399 -9.248 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.462 -4.099 -8.759 1.00 0.00 H new ATOM 778 N TYR B 22 5.921 -4.959 -6.152 1.00 0.00 N ATOM 779 CA TYR B 22 6.859 -5.746 -5.300 1.00 0.00 C ATOM 780 C TYR B 22 6.884 -7.205 -5.769 1.00 0.00 C ATOM 781 O TYR B 22 7.905 -7.862 -5.733 1.00 0.00 O ATOM 782 CB TYR B 22 6.288 -5.626 -3.882 1.00 0.00 C ATOM 783 CG TYR B 22 6.714 -6.806 -3.038 1.00 0.00 C ATOM 784 CD1 TYR B 22 5.935 -7.969 -3.021 1.00 0.00 C ATOM 785 CD2 TYR B 22 7.883 -6.735 -2.273 1.00 0.00 C ATOM 786 CE1 TYR B 22 6.325 -9.062 -2.239 1.00 0.00 C ATOM 787 CE2 TYR B 22 8.273 -7.828 -1.490 1.00 0.00 C ATOM 788 CZ TYR B 22 7.494 -8.992 -1.473 1.00 0.00 C ATOM 789 OH TYR B 22 7.879 -10.070 -0.702 1.00 0.00 O ATOM 0 H TYR B 22 5.008 -5.389 -6.299 1.00 0.00 H new ATOM 0 HA TYR B 22 7.886 -5.385 -5.350 1.00 0.00 H new ATOM 0 HB2 TYR B 22 6.632 -4.699 -3.422 1.00 0.00 H new ATOM 0 HB3 TYR B 22 5.200 -5.576 -3.925 1.00 0.00 H new ATOM 0 HD1 TYR B 22 5.032 -8.023 -3.612 1.00 0.00 H new ATOM 0 HD2 TYR B 22 8.484 -5.838 -2.286 1.00 0.00 H new ATOM 0 HE1 TYR B 22 5.724 -9.959 -2.227 1.00 0.00 H new ATOM 0 HE2 TYR B 22 9.175 -7.774 -0.899 1.00 0.00 H new ATOM 0 HH TYR B 22 8.713 -9.856 -0.234 1.00 0.00 H new ATOM 799 N GLY B 23 5.766 -7.715 -6.210 1.00 0.00 N ATOM 800 CA GLY B 23 5.727 -9.128 -6.683 1.00 0.00 C ATOM 801 C GLY B 23 6.488 -9.242 -8.004 1.00 0.00 C ATOM 802 O GLY B 23 6.893 -8.256 -8.586 1.00 0.00 O ATOM 0 H GLY B 23 4.879 -7.215 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY B 23 6.172 -9.786 -5.936 1.00 0.00 H new ATOM 0 HA3 GLY B 23 4.694 -9.450 -6.816 1.00 0.00 H new ATOM 806 N GLY B 24 6.687 -10.439 -8.485 1.00 0.00 N ATOM 807 CA GLY B 24 7.423 -10.613 -9.769 1.00 0.00 C ATOM 808 C GLY B 24 8.025 -12.018 -9.828 1.00 0.00 C ATOM 809 O GLY B 24 8.019 -12.663 -10.857 1.00 0.00 O ATOM 0 H GLY B 24 6.372 -11.303 -8.044 1.00 0.00 H new ATOM 0 HA2 GLY B 24 6.748 -10.460 -10.611 1.00 0.00 H new ATOM 0 HA3 GLY B 24 8.211 -9.865 -9.853 1.00 0.00 H new ATOM 813 N CYS B 25 8.542 -12.498 -8.730 1.00 0.00 N ATOM 814 CA CYS B 25 9.143 -13.862 -8.724 1.00 0.00 C ATOM 815 C CYS B 25 8.204 -14.855 -9.414 1.00 0.00 C ATOM 816 O CYS B 25 8.628 -15.896 -9.876 1.00 0.00 O ATOM 817 CB CYS B 25 9.308 -14.216 -7.247 1.00 0.00 C ATOM 818 SG CYS B 25 7.696 -14.155 -6.428 1.00 0.00 S ATOM 0 H CYS B 25 8.574 -12.005 -7.838 1.00 0.00 H new ATOM 0 HA CYS B 25 10.092 -13.898 -9.259 1.00 0.00 H new ATOM 0 HB2 CYS B 25 9.741 -15.211 -7.147 1.00 0.00 H new ATOM 0 HB3 CYS B 25 9.997 -13.519 -6.770 1.00 0.00 H new HETATM 823 N NH2 B 26 6.933 -14.575 -9.502 1.00 0.00 N TER 826 NH2 B 26