USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 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 Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 57:sc= -0.415! USER MOD Single : A 92 SER OG : rot -32:sc= 0.359 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot 56:sc= -0.275 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 70 8.626 -4.921 4.551 1.00 0.00 N ATOM 2 CA GLU A 70 7.679 -4.068 5.259 1.00 0.00 C ATOM 3 C GLU A 70 7.026 -3.072 4.305 1.00 0.00 C ATOM 4 O GLU A 70 5.805 -3.033 4.148 1.00 0.00 O ATOM 5 CB GLU A 70 8.381 -3.320 6.394 1.00 0.00 C ATOM 6 CG GLU A 70 7.788 -1.950 6.677 1.00 0.00 C ATOM 7 CD GLU A 70 8.254 -1.375 8.001 1.00 0.00 C ATOM 8 OE1 GLU A 70 9.475 -1.394 8.260 1.00 0.00 O ATOM 9 OE2 GLU A 70 7.396 -0.907 8.778 1.00 0.00 O ATOM 0 HA GLU A 70 6.901 -4.704 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.331 -3.923 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.436 -3.206 6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.060 -1.267 5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.700 -2.022 6.679 1.00 0.00 H new ATOM 16 N PRO A 71 7.857 -2.246 3.653 1.00 0.00 N ATOM 17 CA PRO A 71 7.384 -1.234 2.704 1.00 0.00 C ATOM 18 C PRO A 71 6.836 -1.852 1.422 1.00 0.00 C ATOM 19 O PRO A 71 5.747 -1.501 0.970 1.00 0.00 O ATOM 20 CB PRO A 71 8.640 -0.412 2.406 1.00 0.00 C ATOM 21 CG PRO A 71 9.773 -1.343 2.669 1.00 0.00 C ATOM 22 CD PRO A 71 9.323 -2.237 3.792 1.00 0.00 C ATOM 0 HA PRO A 71 6.561 -0.647 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.648 -0.061 1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.696 0.470 3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.014 -1.925 1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.673 -0.794 2.944 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.742 -3.239 3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.632 -1.850 4.763 1.00 0.00 H new ATOM 30 N GLU A 72 7.597 -2.775 0.843 1.00 0.00 N ATOM 31 CA GLU A 72 7.186 -3.441 -0.387 1.00 0.00 C ATOM 32 C GLU A 72 7.985 -4.723 -0.605 1.00 0.00 C ATOM 33 O GLU A 72 9.040 -4.709 -1.240 1.00 0.00 O ATOM 34 CB GLU A 72 7.366 -2.506 -1.585 1.00 0.00 C ATOM 35 CG GLU A 72 6.362 -2.745 -2.700 1.00 0.00 C ATOM 36 CD GLU A 72 4.935 -2.462 -2.270 1.00 0.00 C ATOM 37 OE1 GLU A 72 4.278 -3.386 -1.748 1.00 0.00 O ATOM 38 OE2 GLU A 72 4.477 -1.315 -2.456 1.00 0.00 O ATOM 0 H GLU A 72 8.501 -3.078 1.206 1.00 0.00 H new ATOM 0 HA GLU A 72 6.132 -3.701 -0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.280 -1.474 -1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.374 -2.628 -1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.613 -2.113 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.438 -3.779 -3.037 1.00 0.00 H new ATOM 45 N ILE A 73 7.475 -5.829 -0.073 1.00 0.00 N ATOM 46 CA ILE A 73 8.140 -7.119 -0.209 1.00 0.00 C ATOM 47 C ILE A 73 8.502 -7.400 -1.663 1.00 0.00 C ATOM 48 O ILE A 73 9.513 -8.042 -1.950 1.00 0.00 O ATOM 49 CB ILE A 73 7.258 -8.265 0.320 1.00 0.00 C ATOM 50 CG1 ILE A 73 6.760 -7.947 1.731 1.00 0.00 C ATOM 51 CG2 ILE A 73 8.030 -9.576 0.308 1.00 0.00 C ATOM 52 CD1 ILE A 73 5.294 -7.579 1.786 1.00 0.00 C ATOM 0 H ILE A 73 6.603 -5.857 0.456 1.00 0.00 H new ATOM 0 HA ILE A 73 9.052 -7.069 0.386 1.00 0.00 H new ATOM 0 HB ILE A 73 6.393 -8.369 -0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.934 -8.811 2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.348 -7.125 2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.393 -10.377 0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.339 -9.807 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.912 -9.485 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.011 -7.366 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.117 -6.696 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.696 -8.409 1.409 1.00 0.00 H new ATOM 64 N THR A 74 7.671 -6.913 -2.579 1.00 0.00 N ATOM 65 CA THR A 74 7.903 -7.111 -4.004 1.00 0.00 C ATOM 66 C THR A 74 9.228 -6.491 -4.436 1.00 0.00 C ATOM 67 O THR A 74 10.075 -7.162 -5.028 1.00 0.00 O ATOM 68 CB THR A 74 6.767 -6.504 -4.848 1.00 0.00 C ATOM 69 OG1 THR A 74 5.519 -7.117 -4.503 1.00 0.00 O ATOM 70 CG2 THR A 74 7.036 -6.692 -6.334 1.00 0.00 C ATOM 0 H THR A 74 6.831 -6.378 -2.359 1.00 0.00 H new ATOM 0 HA THR A 74 7.935 -8.187 -4.172 1.00 0.00 H new ATOM 0 HB THR A 74 6.718 -5.436 -4.636 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.801 -6.724 -5.043 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.220 -6.255 -6.910 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.972 -6.200 -6.600 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.109 -7.756 -6.559 1.00 0.00 H new ATOM 78 N LEU A 75 9.401 -5.209 -4.137 1.00 0.00 N ATOM 79 CA LEU A 75 10.624 -4.498 -4.495 1.00 0.00 C ATOM 80 C LEU A 75 11.833 -5.111 -3.795 1.00 0.00 C ATOM 81 O LEU A 75 12.916 -5.205 -4.375 1.00 0.00 O ATOM 82 CB LEU A 75 10.503 -3.018 -4.128 1.00 0.00 C ATOM 83 CG LEU A 75 9.301 -2.278 -4.713 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.325 -0.813 -4.305 1.00 0.00 C ATOM 85 CD2 LEU A 75 9.279 -2.410 -6.229 1.00 0.00 C ATOM 0 H LEU A 75 8.710 -4.640 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 75 10.766 -4.588 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.461 -2.936 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.411 -2.509 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 75 8.392 -2.730 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.461 -0.302 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.292 -0.737 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.239 -0.348 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.416 -1.877 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.193 -1.985 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.213 -3.463 -6.502 1.00 0.00 H new ATOM 97 N ILE A 76 11.641 -5.526 -2.548 1.00 0.00 N ATOM 98 CA ILE A 76 12.715 -6.132 -1.771 1.00 0.00 C ATOM 99 C ILE A 76 13.134 -7.473 -2.365 1.00 0.00 C ATOM 100 O ILE A 76 14.321 -7.797 -2.416 1.00 0.00 O ATOM 101 CB ILE A 76 12.300 -6.341 -0.303 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.886 -5.010 0.327 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.436 -6.976 0.484 1.00 0.00 C ATOM 104 CD1 ILE A 76 13.020 -4.014 0.434 1.00 0.00 C ATOM 0 H ILE A 76 10.752 -5.454 -2.054 1.00 0.00 H new ATOM 0 HA ILE A 76 13.558 -5.442 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 76 11.445 -7.016 -0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 76 11.082 -4.571 -0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.483 -5.198 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.127 -7.117 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.687 -7.942 0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.310 -6.325 0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.654 -3.094 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 76 13.815 -4.433 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 76 13.409 -3.797 -0.561 1.00 0.00 H new ATOM 116 N ILE A 77 12.153 -8.248 -2.814 1.00 0.00 N ATOM 117 CA ILE A 77 12.420 -9.552 -3.407 1.00 0.00 C ATOM 118 C ILE A 77 13.182 -9.412 -4.721 1.00 0.00 C ATOM 119 O ILE A 77 14.278 -9.950 -4.875 1.00 0.00 O ATOM 120 CB ILE A 77 11.117 -10.332 -3.663 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.475 -10.744 -2.336 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.391 -11.554 -4.527 1.00 0.00 C ATOM 123 CD1 ILE A 77 8.977 -10.939 -2.425 1.00 0.00 C ATOM 0 H ILE A 77 11.165 -7.995 -2.778 1.00 0.00 H new ATOM 0 HA ILE A 77 13.030 -10.105 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 77 10.422 -9.684 -4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.934 -11.671 -1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.690 -9.983 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.460 -12.094 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.808 -11.238 -5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.101 -12.207 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.589 -11.230 -1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.507 -10.007 -2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.754 -11.721 -3.151 1.00 0.00 H new ATOM 135 N PHE A 78 12.594 -8.685 -5.665 1.00 0.00 N ATOM 136 CA PHE A 78 13.217 -8.474 -6.966 1.00 0.00 C ATOM 137 C PHE A 78 14.566 -7.776 -6.816 1.00 0.00 C ATOM 138 O PHE A 78 15.482 -7.994 -7.608 1.00 0.00 O ATOM 139 CB PHE A 78 12.299 -7.645 -7.867 1.00 0.00 C ATOM 140 CG PHE A 78 12.946 -7.220 -9.154 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.671 -6.042 -9.225 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.830 -8.000 -10.293 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.266 -5.648 -10.408 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.423 -7.612 -11.480 1.00 0.00 C ATOM 145 CZ PHE A 78 14.143 -6.435 -11.537 1.00 0.00 C ATOM 0 H PHE A 78 11.687 -8.232 -5.553 1.00 0.00 H new ATOM 0 HA PHE A 78 13.381 -9.449 -7.425 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.405 -8.226 -8.094 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.974 -6.758 -7.323 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.772 -5.424 -8.345 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.270 -8.922 -10.253 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.827 -4.726 -10.450 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.323 -8.228 -12.361 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.609 -6.130 -12.462 1.00 0.00 H new ATOM 155 N GLY A 79 14.680 -6.935 -5.793 1.00 0.00 N ATOM 156 CA GLY A 79 15.919 -6.217 -5.557 1.00 0.00 C ATOM 157 C GLY A 79 17.043 -7.131 -5.112 1.00 0.00 C ATOM 158 O GLY A 79 18.038 -7.293 -5.818 1.00 0.00 O ATOM 0 H GLY A 79 13.936 -6.738 -5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.215 -5.700 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.754 -5.453 -4.797 1.00 0.00 H new ATOM 162 N VAL A 80 16.886 -7.730 -3.935 1.00 0.00 N ATOM 163 CA VAL A 80 17.896 -8.633 -3.396 1.00 0.00 C ATOM 164 C VAL A 80 18.195 -9.767 -4.370 1.00 0.00 C ATOM 165 O VAL A 80 19.334 -10.222 -4.478 1.00 0.00 O ATOM 166 CB VAL A 80 17.452 -9.231 -2.048 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.502 -10.197 -1.521 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.178 -8.126 -1.040 1.00 0.00 C ATOM 0 H VAL A 80 16.069 -7.606 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 80 18.799 -8.043 -3.243 1.00 0.00 H new ATOM 0 HB VAL A 80 16.527 -9.787 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.171 -10.610 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.644 -11.006 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.445 -9.668 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.865 -8.566 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.085 -7.541 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.387 -7.477 -1.417 1.00 0.00 H new ATOM 178 N MET A 81 17.165 -10.219 -5.077 1.00 0.00 N ATOM 179 CA MET A 81 17.318 -11.300 -6.044 1.00 0.00 C ATOM 180 C MET A 81 18.210 -10.870 -7.204 1.00 0.00 C ATOM 181 O MET A 81 19.130 -11.589 -7.592 1.00 0.00 O ATOM 182 CB MET A 81 15.951 -11.738 -6.572 1.00 0.00 C ATOM 183 CG MET A 81 15.185 -12.631 -5.609 1.00 0.00 C ATOM 184 SD MET A 81 15.168 -14.358 -6.127 1.00 0.00 S ATOM 185 CE MET A 81 13.424 -14.594 -6.461 1.00 0.00 C ATOM 0 H MET A 81 16.216 -9.854 -4.999 1.00 0.00 H new ATOM 0 HA MET A 81 17.791 -12.142 -5.538 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.353 -10.852 -6.787 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.087 -12.267 -7.515 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.632 -12.558 -4.618 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.160 -12.271 -5.524 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.252 -15.618 -6.793 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.851 -14.406 -5.553 1.00 0.00 H new ATOM 0 HE3 MET A 81 13.106 -13.902 -7.241 1.00 0.00 H new ATOM 195 N ALA A 82 17.931 -9.692 -7.754 1.00 0.00 N ATOM 196 CA ALA A 82 18.710 -9.165 -8.868 1.00 0.00 C ATOM 197 C ALA A 82 20.166 -8.952 -8.468 1.00 0.00 C ATOM 198 O ALA A 82 21.079 -9.207 -9.252 1.00 0.00 O ATOM 199 CB ALA A 82 18.101 -7.864 -9.368 1.00 0.00 C ATOM 0 H ALA A 82 17.171 -9.085 -7.446 1.00 0.00 H new ATOM 0 HA ALA A 82 18.687 -9.898 -9.675 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.693 -7.481 -10.200 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.079 -8.045 -9.702 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.094 -7.132 -8.561 1.00 0.00 H new ATOM 205 N GLY A 83 20.375 -8.481 -7.242 1.00 0.00 N ATOM 206 CA GLY A 83 21.723 -8.240 -6.760 1.00 0.00 C ATOM 207 C GLY A 83 22.466 -9.524 -6.452 1.00 0.00 C ATOM 208 O GLY A 83 23.545 -9.771 -6.992 1.00 0.00 O ATOM 0 H GLY A 83 19.635 -8.262 -6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.277 -7.674 -7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.680 -7.624 -5.862 1.00 0.00 H new ATOM 212 N VAL A 84 21.890 -10.345 -5.579 1.00 0.00 N ATOM 213 CA VAL A 84 22.506 -11.610 -5.198 1.00 0.00 C ATOM 214 C VAL A 84 22.806 -12.466 -6.423 1.00 0.00 C ATOM 215 O VAL A 84 23.916 -12.975 -6.581 1.00 0.00 O ATOM 216 CB VAL A 84 21.603 -12.407 -4.238 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.219 -13.762 -3.926 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.356 -11.618 -2.961 1.00 0.00 C ATOM 0 H VAL A 84 20.998 -10.156 -5.123 1.00 0.00 H new ATOM 0 HA VAL A 84 23.439 -11.367 -4.690 1.00 0.00 H new ATOM 0 HB VAL A 84 20.643 -12.575 -4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.567 -14.310 -3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.339 -14.328 -4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.193 -13.620 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.716 -12.196 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.307 -11.417 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.868 -10.675 -3.205 1.00 0.00 H new ATOM 228 N ILE A 85 21.809 -12.620 -7.289 1.00 0.00 N ATOM 229 CA ILE A 85 21.967 -13.414 -8.502 1.00 0.00 C ATOM 230 C ILE A 85 23.027 -12.811 -9.418 1.00 0.00 C ATOM 231 O ILE A 85 23.928 -13.507 -9.883 1.00 0.00 O ATOM 232 CB ILE A 85 20.641 -13.529 -9.275 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.608 -14.297 -8.448 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.867 -14.213 -10.616 1.00 0.00 C ATOM 235 CD1 ILE A 85 18.199 -14.186 -8.987 1.00 0.00 C ATOM 0 H ILE A 85 20.884 -12.206 -7.173 1.00 0.00 H new ATOM 0 HA ILE A 85 22.283 -14.409 -8.190 1.00 0.00 H new ATOM 0 HB ILE A 85 20.258 -12.526 -9.460 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.893 -15.349 -8.412 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.627 -13.926 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.920 -14.287 -11.151 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.573 -13.630 -11.207 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.270 -15.212 -10.451 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.520 -14.755 -8.351 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.895 -13.139 -8.997 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.165 -14.584 -10.001 1.00 0.00 H new ATOM 247 N GLY A 86 22.912 -11.511 -9.672 1.00 0.00 N ATOM 248 CA GLY A 86 23.868 -10.836 -10.531 1.00 0.00 C ATOM 249 C GLY A 86 25.287 -10.934 -10.008 1.00 0.00 C ATOM 250 O GLY A 86 26.237 -11.039 -10.785 1.00 0.00 O ATOM 0 H GLY A 86 22.174 -10.913 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.822 -11.268 -11.531 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.590 -9.786 -10.624 1.00 0.00 H new ATOM 254 N THR A 87 25.434 -10.898 -8.687 1.00 0.00 N ATOM 255 CA THR A 87 26.747 -10.980 -8.062 1.00 0.00 C ATOM 256 C THR A 87 27.358 -12.365 -8.245 1.00 0.00 C ATOM 257 O THR A 87 28.440 -12.506 -8.815 1.00 0.00 O ATOM 258 CB THR A 87 26.674 -10.659 -6.557 1.00 0.00 C ATOM 259 OG1 THR A 87 26.129 -9.349 -6.362 1.00 0.00 O ATOM 260 CG2 THR A 87 28.052 -10.740 -5.918 1.00 0.00 C ATOM 0 H THR A 87 24.659 -10.813 -8.030 1.00 0.00 H new ATOM 0 HA THR A 87 27.378 -10.240 -8.554 1.00 0.00 H new ATOM 0 HB THR A 87 26.027 -11.397 -6.082 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.246 -9.296 -6.783 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.974 -10.509 -4.856 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.452 -11.746 -6.043 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.718 -10.023 -6.397 1.00 0.00 H new ATOM 268 N ILE A 88 26.657 -13.384 -7.759 1.00 0.00 N ATOM 269 CA ILE A 88 27.130 -14.758 -7.871 1.00 0.00 C ATOM 270 C ILE A 88 27.390 -15.133 -9.327 1.00 0.00 C ATOM 271 O ILE A 88 28.346 -15.846 -9.634 1.00 0.00 O ATOM 272 CB ILE A 88 26.120 -15.753 -7.270 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.857 -15.420 -5.800 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.631 -17.179 -7.412 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.824 -16.315 -5.152 1.00 0.00 C ATOM 0 H ILE A 88 25.760 -13.284 -7.284 1.00 0.00 H new ATOM 0 HA ILE A 88 28.063 -14.817 -7.310 1.00 0.00 H new ATOM 0 HB ILE A 88 25.181 -15.669 -7.817 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.792 -15.498 -5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.527 -14.384 -5.724 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.906 -17.870 -6.982 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.772 -17.411 -8.468 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.582 -17.279 -6.888 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.689 -16.021 -4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.876 -16.219 -5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 88 25.161 -17.351 -5.196 1.00 0.00 H new ATOM 287 N LEU A 89 26.534 -14.646 -10.219 1.00 0.00 N ATOM 288 CA LEU A 89 26.672 -14.928 -11.643 1.00 0.00 C ATOM 289 C LEU A 89 27.950 -14.309 -12.200 1.00 0.00 C ATOM 290 O LEU A 89 28.767 -14.994 -12.816 1.00 0.00 O ATOM 291 CB LEU A 89 25.459 -14.396 -12.408 1.00 0.00 C ATOM 292 CG LEU A 89 24.219 -15.291 -12.408 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.047 -14.581 -13.067 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.513 -16.608 -13.113 1.00 0.00 C ATOM 0 H LEU A 89 25.738 -14.054 -9.981 1.00 0.00 H new ATOM 0 HA LEU A 89 26.729 -16.009 -11.770 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.184 -13.429 -11.986 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.755 -14.220 -13.442 1.00 0.00 H new ATOM 0 HG LEU A 89 23.950 -15.507 -11.374 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.174 -15.234 -13.057 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.822 -13.666 -12.520 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.304 -14.334 -14.097 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.620 -17.233 -13.104 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.808 -16.411 -14.144 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.322 -17.124 -12.597 1.00 0.00 H new ATOM 306 N LEU A 90 28.117 -13.010 -11.978 1.00 0.00 N ATOM 307 CA LEU A 90 29.298 -12.298 -12.455 1.00 0.00 C ATOM 308 C LEU A 90 30.575 -12.966 -11.956 1.00 0.00 C ATOM 309 O LEU A 90 31.495 -13.226 -12.733 1.00 0.00 O ATOM 310 CB LEU A 90 29.258 -10.840 -11.996 1.00 0.00 C ATOM 311 CG LEU A 90 29.943 -9.828 -12.915 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.360 -8.438 -12.708 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.446 -9.819 -12.673 1.00 0.00 C ATOM 0 H LEU A 90 27.450 -12.428 -11.471 1.00 0.00 H new ATOM 0 HA LEU A 90 29.296 -12.329 -13.545 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.215 -10.546 -11.878 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.720 -10.777 -11.011 1.00 0.00 H new ATOM 0 HG LEU A 90 29.763 -10.125 -13.948 1.00 0.00 H new ATOM 0 HD11 LEU A 90 29.860 -7.731 -13.370 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.293 -8.454 -12.932 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.508 -8.132 -11.672 1.00 0.00 H new ATOM 0 HD21 LEU A 90 31.917 -9.093 -13.336 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.646 -9.547 -11.637 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.853 -10.810 -12.873 1.00 0.00 H new ATOM 325 N ILE A 91 30.624 -13.242 -10.658 1.00 0.00 N ATOM 326 CA ILE A 91 31.787 -13.883 -10.057 1.00 0.00 C ATOM 327 C ILE A 91 31.979 -15.295 -10.600 1.00 0.00 C ATOM 328 O ILE A 91 33.037 -15.626 -11.136 1.00 0.00 O ATOM 329 CB ILE A 91 31.664 -13.948 -8.523 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.519 -12.540 -7.941 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.873 -14.652 -7.924 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.360 -12.521 -6.437 1.00 0.00 C ATOM 0 H ILE A 91 29.872 -13.032 -10.002 1.00 0.00 H new ATOM 0 HA ILE A 91 32.653 -13.275 -10.319 1.00 0.00 H new ATOM 0 HB ILE A 91 30.772 -14.520 -8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.395 -11.951 -8.213 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.655 -12.055 -8.396 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.771 -14.690 -6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.936 -15.666 -8.318 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.779 -14.105 -8.185 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.263 -11.491 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.468 -13.082 -6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.235 -12.977 -5.973 1.00 0.00 H new ATOM 344 N SER A 92 30.949 -16.123 -10.459 1.00 0.00 N ATOM 345 CA SER A 92 31.005 -17.500 -10.934 1.00 0.00 C ATOM 346 C SER A 92 31.360 -17.550 -12.417 1.00 0.00 C ATOM 347 O SER A 92 31.886 -18.548 -12.908 1.00 0.00 O ATOM 348 CB SER A 92 29.665 -18.199 -10.695 1.00 0.00 C ATOM 349 OG SER A 92 28.682 -17.744 -11.609 1.00 0.00 O ATOM 0 H SER A 92 30.066 -15.864 -10.020 1.00 0.00 H new ATOM 0 HA SER A 92 31.783 -18.020 -10.375 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.790 -19.277 -10.798 1.00 0.00 H new ATOM 0 HB3 SER A 92 29.331 -18.013 -9.674 1.00 0.00 H new ATOM 0 HG SER A 92 28.853 -16.805 -11.833 1.00 0.00 H new ATOM 355 N TYR A 93 31.067 -16.464 -13.125 1.00 0.00 N ATOM 356 CA TYR A 93 31.352 -16.384 -14.553 1.00 0.00 C ATOM 357 C TYR A 93 32.843 -16.178 -14.800 1.00 0.00 C ATOM 358 O TYR A 93 33.460 -16.899 -15.582 1.00 0.00 O ATOM 359 CB TYR A 93 30.556 -15.243 -15.189 1.00 0.00 C ATOM 360 CG TYR A 93 30.691 -15.176 -16.694 1.00 0.00 C ATOM 361 CD1 TYR A 93 30.051 -16.101 -17.510 1.00 0.00 C ATOM 362 CD2 TYR A 93 31.459 -14.190 -17.299 1.00 0.00 C ATOM 363 CE1 TYR A 93 30.172 -16.044 -18.885 1.00 0.00 C ATOM 364 CE2 TYR A 93 31.585 -14.124 -18.673 1.00 0.00 C ATOM 365 CZ TYR A 93 30.940 -15.054 -19.462 1.00 0.00 C ATOM 366 OH TYR A 93 31.063 -14.993 -20.831 1.00 0.00 O ATOM 0 H TYR A 93 30.633 -15.628 -12.734 1.00 0.00 H new ATOM 0 HA TYR A 93 31.053 -17.327 -15.011 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.503 -15.358 -14.932 1.00 0.00 H new ATOM 0 HB3 TYR A 93 30.887 -14.297 -14.760 1.00 0.00 H new ATOM 0 HD1 TYR A 93 29.449 -16.877 -17.062 1.00 0.00 H new ATOM 0 HD2 TYR A 93 31.967 -13.462 -16.684 1.00 0.00 H new ATOM 0 HE1 TYR A 93 29.668 -16.771 -19.505 1.00 0.00 H new ATOM 0 HE2 TYR A 93 32.185 -13.349 -19.127 1.00 0.00 H new ATOM 0 HH TYR A 93 31.637 -14.237 -21.075 1.00 0.00 H new ATOM 376 N GLY A 94 33.417 -15.186 -14.124 1.00 0.00 N ATOM 377 CA GLY A 94 34.831 -14.902 -14.283 1.00 0.00 C ATOM 378 C GLY A 94 35.710 -15.986 -13.692 1.00 0.00 C ATOM 379 O GLY A 94 36.800 -16.255 -14.198 1.00 0.00 O ATOM 0 H GLY A 94 32.928 -14.575 -13.470 1.00 0.00 H new ATOM 0 HA2 GLY A 94 35.059 -14.791 -15.343 1.00 0.00 H new ATOM 0 HA3 GLY A 94 35.063 -13.950 -13.806 1.00 0.00 H new ATOM 383 N ILE A 95 35.238 -16.608 -12.617 1.00 0.00 N ATOM 384 CA ILE A 95 35.989 -17.668 -11.956 1.00 0.00 C ATOM 385 C ILE A 95 35.921 -18.968 -12.751 1.00 0.00 C ATOM 386 O ILE A 95 36.781 -19.838 -12.613 1.00 0.00 O ATOM 387 CB ILE A 95 35.467 -17.924 -10.530 1.00 0.00 C ATOM 388 CG1 ILE A 95 36.563 -18.552 -9.667 1.00 0.00 C ATOM 389 CG2 ILE A 95 34.238 -18.820 -10.569 1.00 0.00 C ATOM 390 CD1 ILE A 95 36.099 -18.920 -8.275 1.00 0.00 C ATOM 0 H ILE A 95 34.339 -16.396 -12.185 1.00 0.00 H new ATOM 0 HA ILE A 95 37.025 -17.332 -11.900 1.00 0.00 H new ATOM 0 HB ILE A 95 35.183 -16.970 -10.086 1.00 0.00 H new ATOM 0 HG12 ILE A 95 36.938 -19.446 -10.164 1.00 0.00 H new ATOM 0 HG13 ILE A 95 37.398 -17.856 -9.591 1.00 0.00 H new ATOM 0 HG21 ILE A 95 33.881 -18.992 -9.554 1.00 0.00 H new ATOM 0 HG22 ILE A 95 33.454 -18.337 -11.153 1.00 0.00 H new ATOM 0 HG23 ILE A 95 34.497 -19.774 -11.029 1.00 0.00 H new ATOM 0 HD11 ILE A 95 36.927 -19.360 -7.720 1.00 0.00 H new ATOM 0 HD12 ILE A 95 35.751 -18.025 -7.759 1.00 0.00 H new ATOM 0 HD13 ILE A 95 35.284 -19.641 -8.342 1.00 0.00 H new ATOM 402 N ARG A 96 34.894 -19.092 -13.585 1.00 0.00 N ATOM 403 CA ARG A 96 34.713 -20.285 -14.403 1.00 0.00 C ATOM 404 C ARG A 96 35.845 -20.425 -15.417 1.00 0.00 C ATOM 405 O ARG A 96 36.222 -21.535 -15.792 1.00 0.00 O ATOM 406 CB ARG A 96 33.368 -20.233 -15.129 1.00 0.00 C ATOM 407 CG ARG A 96 32.461 -21.412 -14.816 1.00 0.00 C ATOM 408 CD ARG A 96 32.709 -22.573 -15.767 1.00 0.00 C ATOM 409 NE ARG A 96 33.974 -23.247 -15.489 1.00 0.00 N ATOM 410 CZ ARG A 96 34.437 -24.266 -16.205 1.00 0.00 C ATOM 411 NH1 ARG A 96 33.742 -24.725 -17.237 1.00 0.00 N ATOM 412 NH2 ARG A 96 35.597 -24.827 -15.891 1.00 0.00 N ATOM 0 H ARG A 96 34.174 -18.381 -13.712 1.00 0.00 H new ATOM 0 HA ARG A 96 34.729 -21.153 -13.744 1.00 0.00 H new ATOM 0 HB2 ARG A 96 32.855 -19.310 -14.860 1.00 0.00 H new ATOM 0 HB3 ARG A 96 33.546 -20.198 -16.204 1.00 0.00 H new ATOM 0 HG2 ARG A 96 32.628 -21.739 -13.790 1.00 0.00 H new ATOM 0 HG3 ARG A 96 31.419 -21.099 -14.885 1.00 0.00 H new ATOM 0 HD2 ARG A 96 31.891 -23.289 -15.686 1.00 0.00 H new ATOM 0 HD3 ARG A 96 32.711 -22.207 -16.794 1.00 0.00 H new ATOM 0 HE ARG A 96 34.533 -22.918 -14.702 1.00 0.00 H new ATOM 0 HH11 ARG A 96 32.850 -24.296 -17.483 1.00 0.00 H new ATOM 0 HH12 ARG A 96 34.100 -25.507 -17.785 1.00 0.00 H new ATOM 0 HH21 ARG A 96 36.135 -24.476 -15.099 1.00 0.00 H new ATOM 0 HH22 ARG A 96 35.951 -25.609 -16.442 1.00 0.00 H new ATOM 426 N ARG A 97 36.382 -19.292 -15.857 1.00 0.00 N ATOM 427 CA ARG A 97 37.469 -19.288 -16.828 1.00 0.00 C ATOM 428 C ARG A 97 38.825 -19.300 -16.128 1.00 0.00 C ATOM 429 O ARG A 97 39.735 -20.028 -16.526 1.00 0.00 O ATOM 430 CB ARG A 97 37.365 -18.062 -17.738 1.00 0.00 C ATOM 431 CG ARG A 97 38.174 -18.184 -19.019 1.00 0.00 C ATOM 432 CD ARG A 97 37.302 -17.990 -20.249 1.00 0.00 C ATOM 433 NE ARG A 97 36.641 -19.229 -20.652 1.00 0.00 N ATOM 434 CZ ARG A 97 35.679 -19.285 -21.566 1.00 0.00 C ATOM 435 NH1 ARG A 97 35.267 -18.178 -22.169 1.00 0.00 N ATOM 436 NH2 ARG A 97 35.126 -20.450 -21.878 1.00 0.00 N ATOM 0 H ARG A 97 36.082 -18.365 -15.556 1.00 0.00 H new ATOM 0 HA ARG A 97 37.384 -20.190 -17.433 1.00 0.00 H new ATOM 0 HB2 ARG A 97 36.318 -17.898 -17.994 1.00 0.00 H new ATOM 0 HB3 ARG A 97 37.701 -17.183 -17.188 1.00 0.00 H new ATOM 0 HG2 ARG A 97 38.973 -17.443 -19.018 1.00 0.00 H new ATOM 0 HG3 ARG A 97 38.648 -19.165 -19.059 1.00 0.00 H new ATOM 0 HD2 ARG A 97 36.550 -17.228 -20.044 1.00 0.00 H new ATOM 0 HD3 ARG A 97 37.913 -17.621 -21.072 1.00 0.00 H new ATOM 0 HE ARG A 97 36.934 -20.099 -20.207 1.00 0.00 H new ATOM 0 HH11 ARG A 97 35.689 -17.280 -21.931 1.00 0.00 H new ATOM 0 HH12 ARG A 97 34.528 -18.224 -22.871 1.00 0.00 H new ATOM 0 HH21 ARG A 97 35.440 -21.303 -21.416 1.00 0.00 H new ATOM 0 HH22 ARG A 97 34.387 -20.492 -22.580 1.00 0.00 H new ATOM 450 N LEU A 98 38.952 -18.490 -15.082 1.00 0.00 N ATOM 451 CA LEU A 98 40.197 -18.407 -14.326 1.00 0.00 C ATOM 452 C LEU A 98 41.397 -18.305 -15.261 1.00 0.00 C ATOM 453 O LEU A 98 42.395 -17.686 -14.895 1.00 0.00 O ATOM 454 CB LEU A 98 40.346 -19.629 -13.417 1.00 0.00 C ATOM 455 CG LEU A 98 40.355 -19.349 -11.914 1.00 0.00 C ATOM 456 CD1 LEU A 98 40.048 -20.618 -11.133 1.00 0.00 C ATOM 457 CD2 LEU A 98 41.696 -18.771 -11.487 1.00 0.00 C ATOM 0 H LEU A 98 38.209 -17.882 -14.739 1.00 0.00 H new ATOM 0 HA LEU A 98 40.162 -17.507 -13.712 1.00 0.00 H new ATOM 0 HB2 LEU A 98 39.531 -20.319 -13.633 1.00 0.00 H new ATOM 0 HB3 LEU A 98 41.273 -20.140 -13.677 1.00 0.00 H new ATOM 0 HG LEU A 98 39.579 -18.615 -11.696 1.00 0.00 H new ATOM 0 HD11 LEU A 98 40.059 -20.400 -10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 98 39.064 -20.991 -11.417 1.00 0.00 H new ATOM 0 HD13 LEU A 98 40.801 -21.374 -11.356 1.00 0.00 H new ATOM 0 HD21 LEU A 98 41.684 -18.578 -10.414 1.00 0.00 H new ATOM 0 HD22 LEU A 98 42.489 -19.482 -11.719 1.00 0.00 H new ATOM 0 HD23 LEU A 98 41.877 -17.838 -12.021 1.00 0.00 H new TER 469 LEU A 98 ATOM 470 N GLU B 70 6.538 7.794 -2.595 1.00 0.00 N ATOM 471 CA GLU B 70 6.827 6.728 -3.546 1.00 0.00 C ATOM 472 C GLU B 70 8.125 6.013 -3.185 1.00 0.00 C ATOM 473 O GLU B 70 9.127 6.094 -3.896 1.00 0.00 O ATOM 474 CB GLU B 70 6.920 7.291 -4.966 1.00 0.00 C ATOM 475 CG GLU B 70 7.493 8.697 -5.026 1.00 0.00 C ATOM 476 CD GLU B 70 8.789 8.832 -4.250 1.00 0.00 C ATOM 477 OE1 GLU B 70 9.844 8.428 -4.782 1.00 0.00 O ATOM 478 OE2 GLU B 70 8.748 9.343 -3.111 1.00 0.00 O ATOM 0 HA GLU B 70 6.011 6.007 -3.502 1.00 0.00 H new ATOM 0 HB2 GLU B 70 7.540 6.629 -5.571 1.00 0.00 H new ATOM 0 HB3 GLU B 70 5.926 7.293 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU B 70 7.667 8.970 -6.067 1.00 0.00 H new ATOM 0 HG3 GLU B 70 6.761 9.401 -4.629 1.00 0.00 H new ATOM 485 N PRO B 71 8.110 5.295 -2.052 1.00 0.00 N ATOM 486 CA PRO B 71 9.278 4.552 -1.569 1.00 0.00 C ATOM 487 C PRO B 71 9.599 3.345 -2.444 1.00 0.00 C ATOM 488 O PRO B 71 9.277 2.210 -2.093 1.00 0.00 O ATOM 489 CB PRO B 71 8.857 4.100 -0.168 1.00 0.00 C ATOM 490 CG PRO B 71 7.368 4.056 -0.216 1.00 0.00 C ATOM 491 CD PRO B 71 6.951 5.154 -1.154 1.00 0.00 C ATOM 0 HA PRO B 71 10.182 5.161 -1.581 1.00 0.00 H new ATOM 0 HB2 PRO B 71 9.274 3.123 0.075 1.00 0.00 H new ATOM 0 HB3 PRO B 71 9.208 4.795 0.595 1.00 0.00 H new ATOM 0 HG2 PRO B 71 7.018 3.086 -0.570 1.00 0.00 H new ATOM 0 HG3 PRO B 71 6.941 4.207 0.776 1.00 0.00 H new ATOM 0 HD2 PRO B 71 6.047 4.891 -1.703 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.742 6.081 -0.620 1.00 0.00 H new ATOM 499 N GLU B 72 10.235 3.598 -3.583 1.00 0.00 N ATOM 500 CA GLU B 72 10.599 2.531 -4.508 1.00 0.00 C ATOM 501 C GLU B 72 12.115 2.393 -4.610 1.00 0.00 C ATOM 502 O GLU B 72 12.688 1.394 -4.173 1.00 0.00 O ATOM 503 CB GLU B 72 10.006 2.801 -5.892 1.00 0.00 C ATOM 504 CG GLU B 72 8.564 2.345 -6.037 1.00 0.00 C ATOM 505 CD GLU B 72 7.722 2.676 -4.820 1.00 0.00 C ATOM 506 OE1 GLU B 72 7.256 3.829 -4.717 1.00 0.00 O ATOM 507 OE2 GLU B 72 7.530 1.780 -3.971 1.00 0.00 O ATOM 0 H GLU B 72 10.509 4.532 -3.888 1.00 0.00 H new ATOM 0 HA GLU B 72 10.192 1.596 -4.122 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.063 3.869 -6.100 1.00 0.00 H new ATOM 0 HB3 GLU B 72 10.615 2.297 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU B 72 8.125 2.815 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU B 72 8.543 1.269 -6.207 1.00 0.00 H new ATOM 514 N ILE B 73 12.757 3.401 -5.190 1.00 0.00 N ATOM 515 CA ILE B 73 14.206 3.392 -5.349 1.00 0.00 C ATOM 516 C ILE B 73 14.902 3.066 -4.031 1.00 0.00 C ATOM 517 O ILE B 73 15.957 2.431 -4.014 1.00 0.00 O ATOM 518 CB ILE B 73 14.724 4.747 -5.867 1.00 0.00 C ATOM 519 CG1 ILE B 73 14.060 5.094 -7.202 1.00 0.00 C ATOM 520 CG2 ILE B 73 16.238 4.714 -6.015 1.00 0.00 C ATOM 521 CD1 ILE B 73 13.548 6.515 -7.270 1.00 0.00 C ATOM 0 H ILE B 73 12.297 4.234 -5.558 1.00 0.00 H new ATOM 0 HA ILE B 73 14.438 2.619 -6.081 1.00 0.00 H new ATOM 0 HB ILE B 73 14.466 5.519 -5.142 1.00 0.00 H new ATOM 0 HG12 ILE B 73 14.777 4.936 -8.007 1.00 0.00 H new ATOM 0 HG13 ILE B 73 13.230 4.409 -7.375 1.00 0.00 H new ATOM 0 HG21 ILE B 73 16.589 5.679 -6.382 1.00 0.00 H new ATOM 0 HG22 ILE B 73 16.694 4.506 -5.047 1.00 0.00 H new ATOM 0 HG23 ILE B 73 16.517 3.933 -6.722 1.00 0.00 H new ATOM 0 HD11 ILE B 73 13.090 6.691 -8.243 1.00 0.00 H new ATOM 0 HD12 ILE B 73 12.807 6.672 -6.487 1.00 0.00 H new ATOM 0 HD13 ILE B 73 14.378 7.208 -7.129 1.00 0.00 H new ATOM 533 N THR B 74 14.303 3.502 -2.928 1.00 0.00 N ATOM 534 CA THR B 74 14.863 3.256 -1.605 1.00 0.00 C ATOM 535 C THR B 74 14.916 1.764 -1.299 1.00 0.00 C ATOM 536 O THR B 74 15.959 1.236 -0.910 1.00 0.00 O ATOM 537 CB THR B 74 14.047 3.965 -0.508 1.00 0.00 C ATOM 538 OG1 THR B 74 13.710 5.292 -0.928 1.00 0.00 O ATOM 539 CG2 THR B 74 14.829 4.024 0.796 1.00 0.00 C ATOM 0 H THR B 74 13.429 4.028 -2.925 1.00 0.00 H new ATOM 0 HA THR B 74 15.876 3.659 -1.611 1.00 0.00 H new ATOM 0 HB THR B 74 13.134 3.394 -0.340 1.00 0.00 H new ATOM 0 HG1 THR B 74 13.190 5.735 -0.226 1.00 0.00 H new ATOM 0 HG21 THR B 74 14.232 4.529 1.556 1.00 0.00 H new ATOM 0 HG22 THR B 74 15.059 3.012 1.129 1.00 0.00 H new ATOM 0 HG23 THR B 74 15.757 4.574 0.639 1.00 0.00 H new ATOM 547 N LEU B 75 13.787 1.088 -1.478 1.00 0.00 N ATOM 548 CA LEU B 75 13.704 -0.346 -1.221 1.00 0.00 C ATOM 549 C LEU B 75 14.633 -1.120 -2.151 1.00 0.00 C ATOM 550 O LEU B 75 15.243 -2.112 -1.751 1.00 0.00 O ATOM 551 CB LEU B 75 12.265 -0.834 -1.398 1.00 0.00 C ATOM 552 CG LEU B 75 11.175 0.067 -0.816 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.814 -0.602 -0.927 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.485 0.413 0.633 1.00 0.00 C ATOM 0 H LEU B 75 12.916 1.509 -1.800 1.00 0.00 H new ATOM 0 HA LEU B 75 14.018 -0.524 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU B 75 12.074 -0.960 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.177 -1.819 -0.940 1.00 0.00 H new ATOM 0 HG LEU B 75 11.150 0.992 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.051 0.054 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.589 -0.797 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.825 -1.543 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.698 1.055 1.030 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.539 -0.502 1.222 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.440 0.935 0.686 1.00 0.00 H new ATOM 566 N ILE B 76 14.737 -0.658 -3.393 1.00 0.00 N ATOM 567 CA ILE B 76 15.594 -1.305 -4.379 1.00 0.00 C ATOM 568 C ILE B 76 17.065 -1.174 -3.998 1.00 0.00 C ATOM 569 O ILE B 76 17.844 -2.115 -4.155 1.00 0.00 O ATOM 570 CB ILE B 76 15.384 -0.711 -5.784 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.921 -0.856 -6.209 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.303 -1.390 -6.789 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.480 -2.293 -6.375 1.00 0.00 C ATOM 0 H ILE B 76 14.239 0.162 -3.740 1.00 0.00 H new ATOM 0 HA ILE B 76 15.317 -2.359 -4.395 1.00 0.00 H new ATOM 0 HB ILE B 76 15.631 0.350 -5.755 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.286 -0.373 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.770 -0.327 -7.150 1.00 0.00 H new ATOM 0 HG21 ILE B 76 16.143 -0.959 -7.777 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.341 -1.240 -6.492 1.00 0.00 H new ATOM 0 HG23 ILE B 76 16.084 -2.457 -6.819 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.433 -2.320 -6.677 1.00 0.00 H new ATOM 0 HD12 ILE B 76 14.090 -2.775 -7.139 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.598 -2.821 -5.429 1.00 0.00 H new ATOM 585 N ILE B 77 17.439 -0.001 -3.497 1.00 0.00 N ATOM 586 CA ILE B 77 18.816 0.252 -3.091 1.00 0.00 C ATOM 587 C ILE B 77 19.202 -0.607 -1.892 1.00 0.00 C ATOM 588 O ILE B 77 20.157 -1.382 -1.952 1.00 0.00 O ATOM 589 CB ILE B 77 19.035 1.735 -2.738 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.875 2.608 -3.985 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.410 1.934 -2.118 1.00 0.00 C ATOM 592 CD1 ILE B 77 18.431 4.021 -3.681 1.00 0.00 C ATOM 0 H ILE B 77 16.808 0.789 -3.363 1.00 0.00 H new ATOM 0 HA ILE B 77 19.448 -0.008 -3.940 1.00 0.00 H new ATOM 0 HB ILE B 77 18.282 2.035 -2.009 1.00 0.00 H new ATOM 0 HG12 ILE B 77 19.824 2.641 -4.519 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.149 2.144 -4.653 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.550 2.987 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.489 1.337 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.177 1.620 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE B 77 18.339 4.581 -4.611 1.00 0.00 H new ATOM 0 HD12 ILE B 77 17.466 3.998 -3.174 1.00 0.00 H new ATOM 0 HD13 ILE B 77 19.167 4.503 -3.038 1.00 0.00 H new ATOM 604 N PHE B 78 18.453 -0.466 -0.804 1.00 0.00 N ATOM 605 CA PHE B 78 18.716 -1.229 0.410 1.00 0.00 C ATOM 606 C PHE B 78 18.603 -2.728 0.146 1.00 0.00 C ATOM 607 O PHE B 78 19.293 -3.533 0.768 1.00 0.00 O ATOM 608 CB PHE B 78 17.742 -0.820 1.517 1.00 0.00 C ATOM 609 CG PHE B 78 17.807 -1.704 2.730 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.031 -2.849 2.811 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.643 -1.389 3.789 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.089 -3.664 3.926 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.706 -2.201 4.905 1.00 0.00 C ATOM 614 CZ PHE B 78 17.927 -3.339 4.974 1.00 0.00 C ATOM 0 H PHE B 78 17.658 0.170 -0.738 1.00 0.00 H new ATOM 0 HA PHE B 78 19.734 -1.010 0.733 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.953 0.207 1.814 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.727 -0.835 1.120 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.374 -3.108 1.994 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.252 -0.499 3.742 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.479 -4.554 3.977 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.364 -1.946 5.723 1.00 0.00 H new ATOM 0 HZ PHE B 78 17.973 -3.974 5.846 1.00 0.00 H new ATOM 624 N GLY B 79 17.724 -3.094 -0.783 1.00 0.00 N ATOM 625 CA GLY B 79 17.535 -4.494 -1.114 1.00 0.00 C ATOM 626 C GLY B 79 18.740 -5.093 -1.813 1.00 0.00 C ATOM 627 O GLY B 79 19.385 -5.999 -1.286 1.00 0.00 O ATOM 0 H GLY B 79 17.140 -2.446 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.332 -5.055 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.659 -4.598 -1.754 1.00 0.00 H new ATOM 631 N VAL B 80 19.043 -4.587 -3.004 1.00 0.00 N ATOM 632 CA VAL B 80 20.178 -5.078 -3.776 1.00 0.00 C ATOM 633 C VAL B 80 21.474 -4.967 -2.980 1.00 0.00 C ATOM 634 O VAL B 80 22.353 -5.822 -3.085 1.00 0.00 O ATOM 635 CB VAL B 80 20.333 -4.304 -5.099 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.548 -4.801 -5.869 1.00 0.00 C ATOM 637 CG2 VAL B 80 19.072 -4.429 -5.940 1.00 0.00 C ATOM 0 H VAL B 80 18.518 -3.838 -3.455 1.00 0.00 H new ATOM 0 HA VAL B 80 19.980 -6.127 -3.998 1.00 0.00 H new ATOM 0 HB VAL B 80 20.485 -3.250 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.642 -4.243 -6.801 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.445 -4.655 -5.267 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.429 -5.861 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.199 -3.876 -6.871 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.887 -5.479 -6.164 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.225 -4.021 -5.389 1.00 0.00 H new ATOM 647 N MET B 81 21.584 -3.909 -2.185 1.00 0.00 N ATOM 648 CA MET B 81 22.773 -3.687 -1.369 1.00 0.00 C ATOM 649 C MET B 81 22.917 -4.776 -0.311 1.00 0.00 C ATOM 650 O MET B 81 23.997 -5.337 -0.127 1.00 0.00 O ATOM 651 CB MET B 81 22.708 -2.314 -0.698 1.00 0.00 C ATOM 652 CG MET B 81 23.076 -1.166 -1.625 1.00 0.00 C ATOM 653 SD MET B 81 24.843 -0.806 -1.617 1.00 0.00 S ATOM 654 CE MET B 81 24.914 0.512 -0.406 1.00 0.00 C ATOM 0 H MET B 81 20.865 -3.192 -2.088 1.00 0.00 H new ATOM 0 HA MET B 81 23.644 -3.723 -2.023 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.700 -2.153 -0.316 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.379 -2.306 0.161 1.00 0.00 H new ATOM 0 HG2 MET B 81 22.763 -1.410 -2.640 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.526 -0.273 -1.328 1.00 0.00 H new ATOM 0 HE1 MET B 81 25.946 0.843 -0.289 1.00 0.00 H new ATOM 0 HE2 MET B 81 24.300 1.348 -0.742 1.00 0.00 H new ATOM 0 HE3 MET B 81 24.539 0.148 0.551 1.00 0.00 H new ATOM 664 N ALA B 82 21.821 -5.071 0.382 1.00 0.00 N ATOM 665 CA ALA B 82 21.826 -6.094 1.420 1.00 0.00 C ATOM 666 C ALA B 82 22.149 -7.466 0.837 1.00 0.00 C ATOM 667 O ALA B 82 22.867 -8.257 1.447 1.00 0.00 O ATOM 668 CB ALA B 82 20.484 -6.126 2.136 1.00 0.00 C ATOM 0 H ALA B 82 20.919 -4.616 0.243 1.00 0.00 H new ATOM 0 HA ALA B 82 22.604 -5.842 2.140 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.502 -6.895 2.909 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.293 -5.156 2.594 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.694 -6.351 1.419 1.00 0.00 H new ATOM 674 N GLY B 83 21.613 -7.741 -0.349 1.00 0.00 N ATOM 675 CA GLY B 83 21.856 -9.019 -0.994 1.00 0.00 C ATOM 676 C GLY B 83 23.264 -9.133 -1.542 1.00 0.00 C ATOM 677 O GLY B 83 23.999 -10.059 -1.199 1.00 0.00 O ATOM 0 H GLY B 83 21.016 -7.102 -0.874 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.682 -9.823 -0.278 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.141 -9.155 -1.806 1.00 0.00 H new ATOM 681 N VAL B 84 23.642 -8.190 -2.400 1.00 0.00 N ATOM 682 CA VAL B 84 24.971 -8.189 -2.998 1.00 0.00 C ATOM 683 C VAL B 84 26.056 -8.223 -1.927 1.00 0.00 C ATOM 684 O VAL B 84 26.980 -9.035 -1.991 1.00 0.00 O ATOM 685 CB VAL B 84 25.184 -6.952 -3.891 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.607 -6.920 -4.428 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.175 -6.937 -5.029 1.00 0.00 C ATOM 0 H VAL B 84 23.046 -7.417 -2.696 1.00 0.00 H new ATOM 0 HA VAL B 84 25.043 -9.087 -3.612 1.00 0.00 H new ATOM 0 HB VAL B 84 25.029 -6.058 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.739 -6.039 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.309 -6.880 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.794 -7.818 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.340 -6.056 -5.650 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.296 -7.835 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.165 -6.908 -4.620 1.00 0.00 H new ATOM 697 N ILE B 85 25.937 -7.336 -0.945 1.00 0.00 N ATOM 698 CA ILE B 85 26.907 -7.266 0.141 1.00 0.00 C ATOM 699 C ILE B 85 26.923 -8.559 0.949 1.00 0.00 C ATOM 700 O ILE B 85 27.982 -9.130 1.205 1.00 0.00 O ATOM 701 CB ILE B 85 26.608 -6.087 1.087 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.788 -4.757 0.352 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.510 -6.148 2.310 1.00 0.00 C ATOM 704 CD1 ILE B 85 28.216 -4.487 -0.068 1.00 0.00 C ATOM 0 H ILE B 85 25.179 -6.656 -0.879 1.00 0.00 H new ATOM 0 HA ILE B 85 27.884 -7.115 -0.318 1.00 0.00 H new ATOM 0 HB ILE B 85 25.572 -6.160 1.419 1.00 0.00 H new ATOM 0 HG12 ILE B 85 26.150 -4.751 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.448 -3.946 0.996 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.287 -5.309 2.969 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.338 -7.083 2.843 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.553 -6.096 1.996 1.00 0.00 H new ATOM 0 HD11 ILE B 85 28.269 -3.528 -0.583 1.00 0.00 H new ATOM 0 HD12 ILE B 85 28.856 -4.461 0.814 1.00 0.00 H new ATOM 0 HD13 ILE B 85 28.554 -5.278 -0.738 1.00 0.00 H new ATOM 716 N GLY B 86 25.740 -9.017 1.346 1.00 0.00 N ATOM 717 CA GLY B 86 25.640 -10.242 2.119 1.00 0.00 C ATOM 718 C GLY B 86 26.206 -11.440 1.383 1.00 0.00 C ATOM 719 O GLY B 86 26.799 -12.330 1.994 1.00 0.00 O ATOM 0 H GLY B 86 24.849 -8.562 1.146 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.170 -10.116 3.063 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.594 -10.430 2.363 1.00 0.00 H new ATOM 723 N THR B 87 26.024 -11.465 0.067 1.00 0.00 N ATOM 724 CA THR B 87 26.518 -12.563 -0.753 1.00 0.00 C ATOM 725 C THR B 87 28.042 -12.564 -0.810 1.00 0.00 C ATOM 726 O THR B 87 28.686 -13.537 -0.417 1.00 0.00 O ATOM 727 CB THR B 87 25.962 -12.489 -2.188 1.00 0.00 C ATOM 728 OG1 THR B 87 24.531 -12.518 -2.160 1.00 0.00 O ATOM 729 CG2 THR B 87 26.482 -13.644 -3.030 1.00 0.00 C ATOM 0 H THR B 87 25.537 -10.736 -0.454 1.00 0.00 H new ATOM 0 HA THR B 87 26.173 -13.485 -0.286 1.00 0.00 H new ATOM 0 HB THR B 87 26.297 -11.554 -2.637 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.200 -11.789 -1.595 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.076 -13.571 -4.039 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.570 -13.602 -3.073 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.173 -14.589 -2.582 1.00 0.00 H new ATOM 737 N ILE B 88 28.611 -11.469 -1.300 1.00 0.00 N ATOM 738 CA ILE B 88 30.060 -11.344 -1.406 1.00 0.00 C ATOM 739 C ILE B 88 30.732 -11.587 -0.059 1.00 0.00 C ATOM 740 O ILE B 88 31.801 -12.195 0.012 1.00 0.00 O ATOM 741 CB ILE B 88 30.468 -9.953 -1.927 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.845 -9.696 -3.301 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.983 -9.837 -1.996 1.00 0.00 C ATOM 744 CD1 ILE B 88 30.161 -8.327 -3.861 1.00 0.00 C ATOM 0 H ILE B 88 28.092 -10.655 -1.630 1.00 0.00 H new ATOM 0 HA ILE B 88 30.391 -12.101 -2.117 1.00 0.00 H new ATOM 0 HB ILE B 88 30.097 -9.198 -1.234 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.198 -10.455 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.763 -9.809 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.256 -8.849 -2.366 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.405 -9.981 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.376 -10.598 -2.670 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.687 -8.215 -4.836 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.784 -7.561 -3.184 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.240 -8.218 -3.967 1.00 0.00 H new ATOM 756 N LEU B 89 30.099 -11.110 1.006 1.00 0.00 N ATOM 757 CA LEU B 89 30.635 -11.277 2.353 1.00 0.00 C ATOM 758 C LEU B 89 30.662 -12.750 2.750 1.00 0.00 C ATOM 759 O LEU B 89 31.708 -13.286 3.116 1.00 0.00 O ATOM 760 CB LEU B 89 29.800 -10.482 3.358 1.00 0.00 C ATOM 761 CG LEU B 89 30.103 -8.986 3.448 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.081 -8.286 4.330 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.512 -8.758 3.976 1.00 0.00 C ATOM 0 H LEU B 89 29.214 -10.604 0.964 1.00 0.00 H new ATOM 0 HA LEU B 89 31.657 -10.899 2.360 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.747 -10.604 3.103 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.942 -10.921 4.346 1.00 0.00 H new ATOM 0 HG LEU B 89 30.039 -8.561 2.446 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.313 -7.222 4.382 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.085 -8.420 3.909 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.112 -8.713 5.332 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.710 -7.688 4.033 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.604 -9.198 4.969 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.232 -9.225 3.304 1.00 0.00 H new ATOM 775 N LEU B 90 29.506 -13.399 2.672 1.00 0.00 N ATOM 776 CA LEU B 90 29.396 -14.811 3.021 1.00 0.00 C ATOM 777 C LEU B 90 30.411 -15.644 2.244 1.00 0.00 C ATOM 778 O LEU B 90 31.129 -16.462 2.820 1.00 0.00 O ATOM 779 CB LEU B 90 27.981 -15.318 2.739 1.00 0.00 C ATOM 780 CG LEU B 90 27.481 -16.449 3.639 1.00 0.00 C ATOM 781 CD1 LEU B 90 25.985 -16.654 3.458 1.00 0.00 C ATOM 782 CD2 LEU B 90 28.238 -17.737 3.347 1.00 0.00 C ATOM 0 H LEU B 90 28.631 -12.970 2.370 1.00 0.00 H new ATOM 0 HA LEU B 90 29.607 -14.914 4.085 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.291 -14.478 2.828 1.00 0.00 H new ATOM 0 HB3 LEU B 90 27.938 -15.658 1.704 1.00 0.00 H new ATOM 0 HG LEU B 90 27.665 -16.170 4.677 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.647 -17.463 4.106 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.458 -15.736 3.718 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.776 -16.910 2.419 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.869 -18.531 3.996 1.00 0.00 H new ATOM 0 HD22 LEU B 90 28.086 -18.020 2.305 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.302 -17.583 3.530 1.00 0.00 H new ATOM 794 N ILE B 91 30.466 -15.428 0.934 1.00 0.00 N ATOM 795 CA ILE B 91 31.396 -16.157 0.079 1.00 0.00 C ATOM 796 C ILE B 91 32.842 -15.824 0.430 1.00 0.00 C ATOM 797 O ILE B 91 33.645 -16.715 0.706 1.00 0.00 O ATOM 798 CB ILE B 91 31.155 -15.843 -1.409 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.726 -16.216 -1.807 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.163 -16.584 -2.276 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.400 -15.906 -3.252 1.00 0.00 C ATOM 0 H ILE B 91 29.878 -14.755 0.442 1.00 0.00 H new ATOM 0 HA ILE B 91 31.219 -17.219 0.252 1.00 0.00 H new ATOM 0 HB ILE B 91 31.287 -14.772 -1.565 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.574 -17.281 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.027 -15.682 -1.163 1.00 0.00 H new ATOM 0 HG21 ILE B 91 31.980 -16.352 -3.325 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.172 -16.274 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.059 -17.657 -2.118 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.371 -16.197 -3.463 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.519 -14.837 -3.431 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.075 -16.460 -3.904 1.00 0.00 H new ATOM 813 N SER B 92 33.166 -14.535 0.420 1.00 0.00 N ATOM 814 CA SER B 92 34.516 -14.083 0.736 1.00 0.00 C ATOM 815 C SER B 92 34.971 -14.633 2.084 1.00 0.00 C ATOM 816 O SER B 92 36.165 -14.820 2.320 1.00 0.00 O ATOM 817 CB SER B 92 34.575 -12.555 0.749 1.00 0.00 C ATOM 818 OG SER B 92 35.887 -12.098 1.031 1.00 0.00 O ATOM 0 H SER B 92 32.512 -13.785 0.196 1.00 0.00 H new ATOM 0 HA SER B 92 35.188 -14.458 -0.035 1.00 0.00 H new ATOM 0 HB2 SER B 92 34.251 -12.167 -0.217 1.00 0.00 H new ATOM 0 HB3 SER B 92 33.883 -12.167 1.497 1.00 0.00 H new ATOM 0 HG SER B 92 35.899 -11.118 1.032 1.00 0.00 H new ATOM 824 N TYR B 93 34.011 -14.890 2.966 1.00 0.00 N ATOM 825 CA TYR B 93 34.312 -15.416 4.292 1.00 0.00 C ATOM 826 C TYR B 93 34.672 -16.896 4.222 1.00 0.00 C ATOM 827 O TYR B 93 35.470 -17.391 5.017 1.00 0.00 O ATOM 828 CB TYR B 93 33.118 -15.213 5.227 1.00 0.00 C ATOM 829 CG TYR B 93 33.502 -15.116 6.686 1.00 0.00 C ATOM 830 CD1 TYR B 93 34.311 -14.083 7.144 1.00 0.00 C ATOM 831 CD2 TYR B 93 33.055 -16.056 7.606 1.00 0.00 C ATOM 832 CE1 TYR B 93 34.664 -13.990 8.477 1.00 0.00 C ATOM 833 CE2 TYR B 93 33.403 -15.970 8.941 1.00 0.00 C ATOM 834 CZ TYR B 93 34.207 -14.936 9.371 1.00 0.00 C ATOM 835 OH TYR B 93 34.557 -14.848 10.699 1.00 0.00 O ATOM 0 H TYR B 93 33.018 -14.742 2.786 1.00 0.00 H new ATOM 0 HA TYR B 93 35.170 -14.871 4.685 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.591 -14.304 4.937 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.421 -16.041 5.098 1.00 0.00 H new ATOM 0 HD1 TYR B 93 34.670 -13.340 6.447 1.00 0.00 H new ATOM 0 HD2 TYR B 93 32.425 -16.867 7.273 1.00 0.00 H new ATOM 0 HE1 TYR B 93 35.294 -13.181 8.817 1.00 0.00 H new ATOM 0 HE2 TYR B 93 33.047 -16.709 9.643 1.00 0.00 H new ATOM 0 HH TYR B 93 34.152 -15.591 11.194 1.00 0.00 H new ATOM 845 N GLY B 94 34.077 -17.599 3.263 1.00 0.00 N ATOM 846 CA GLY B 94 34.347 -19.016 3.105 1.00 0.00 C ATOM 847 C GLY B 94 35.806 -19.299 2.808 1.00 0.00 C ATOM 848 O GLY B 94 36.292 -20.404 3.048 1.00 0.00 O ATOM 0 H GLY B 94 33.413 -17.212 2.593 1.00 0.00 H new ATOM 0 HA2 GLY B 94 34.056 -19.542 4.014 1.00 0.00 H new ATOM 0 HA3 GLY B 94 33.732 -19.412 2.297 1.00 0.00 H new ATOM 852 N ILE B 95 36.506 -18.298 2.284 1.00 0.00 N ATOM 853 CA ILE B 95 37.918 -18.445 1.954 1.00 0.00 C ATOM 854 C ILE B 95 38.783 -18.408 3.209 1.00 0.00 C ATOM 855 O ILE B 95 39.912 -18.900 3.213 1.00 0.00 O ATOM 856 CB ILE B 95 38.389 -17.342 0.988 1.00 0.00 C ATOM 857 CG1 ILE B 95 39.607 -17.816 0.192 1.00 0.00 C ATOM 858 CG2 ILE B 95 38.712 -16.069 1.755 1.00 0.00 C ATOM 859 CD1 ILE B 95 40.183 -16.755 -0.719 1.00 0.00 C ATOM 0 H ILE B 95 36.118 -17.377 2.079 1.00 0.00 H new ATOM 0 HA ILE B 95 38.028 -19.414 1.468 1.00 0.00 H new ATOM 0 HB ILE B 95 37.583 -17.125 0.287 1.00 0.00 H new ATOM 0 HG12 ILE B 95 40.380 -18.145 0.887 1.00 0.00 H new ATOM 0 HG13 ILE B 95 39.325 -18.683 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE B 95 39.043 -15.299 1.059 1.00 0.00 H new ATOM 0 HG22 ILE B 95 37.821 -15.724 2.280 1.00 0.00 H new ATOM 0 HG23 ILE B 95 39.503 -16.270 2.477 1.00 0.00 H new ATOM 0 HD11 ILE B 95 41.043 -17.161 -1.252 1.00 0.00 H new ATOM 0 HD12 ILE B 95 39.426 -16.442 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE B 95 40.496 -15.896 -0.125 1.00 0.00 H new ATOM 871 N ARG B 96 38.245 -17.823 4.275 1.00 0.00 N ATOM 872 CA ARG B 96 38.968 -17.722 5.537 1.00 0.00 C ATOM 873 C ARG B 96 39.202 -19.103 6.141 1.00 0.00 C ATOM 874 O ARG B 96 40.287 -19.396 6.645 1.00 0.00 O ATOM 875 CB ARG B 96 38.193 -16.846 6.524 1.00 0.00 C ATOM 876 CG ARG B 96 38.992 -15.663 7.046 1.00 0.00 C ATOM 877 CD ARG B 96 38.120 -14.427 7.200 1.00 0.00 C ATOM 878 NE ARG B 96 38.038 -13.658 5.961 1.00 0.00 N ATOM 879 CZ ARG B 96 37.417 -12.487 5.862 1.00 0.00 C ATOM 880 NH1 ARG B 96 36.829 -11.954 6.924 1.00 0.00 N ATOM 881 NH2 ARG B 96 37.385 -11.848 4.700 1.00 0.00 N ATOM 0 H ARG B 96 37.312 -17.412 4.289 1.00 0.00 H new ATOM 0 HA ARG B 96 39.936 -17.263 5.337 1.00 0.00 H new ATOM 0 HB2 ARG B 96 37.290 -16.477 6.038 1.00 0.00 H new ATOM 0 HB3 ARG B 96 37.874 -17.458 7.367 1.00 0.00 H new ATOM 0 HG2 ARG B 96 39.436 -15.919 8.008 1.00 0.00 H new ATOM 0 HG3 ARG B 96 39.813 -15.447 6.363 1.00 0.00 H new ATOM 0 HD2 ARG B 96 37.118 -14.726 7.508 1.00 0.00 H new ATOM 0 HD3 ARG B 96 38.522 -13.796 7.993 1.00 0.00 H new ATOM 0 HE ARG B 96 38.482 -14.041 5.126 1.00 0.00 H new ATOM 0 HH11 ARG B 96 36.853 -12.443 7.819 1.00 0.00 H new ATOM 0 HH12 ARG B 96 36.353 -11.055 6.846 1.00 0.00 H new ATOM 0 HH21 ARG B 96 37.837 -12.255 3.881 1.00 0.00 H new ATOM 0 HH22 ARG B 96 36.908 -10.949 4.625 1.00 0.00 H new ATOM 895 N ARG B 97 38.177 -19.948 6.089 1.00 0.00 N ATOM 896 CA ARG B 97 38.271 -21.298 6.632 1.00 0.00 C ATOM 897 C ARG B 97 38.654 -22.297 5.544 1.00 0.00 C ATOM 898 O ARG B 97 39.400 -23.245 5.792 1.00 0.00 O ATOM 899 CB ARG B 97 36.942 -21.707 7.270 1.00 0.00 C ATOM 900 CG ARG B 97 36.980 -23.074 7.933 1.00 0.00 C ATOM 901 CD ARG B 97 35.779 -23.286 8.842 1.00 0.00 C ATOM 902 NE ARG B 97 34.581 -23.648 8.090 1.00 0.00 N ATOM 903 CZ ARG B 97 33.440 -24.021 8.660 1.00 0.00 C ATOM 904 NH1 ARG B 97 33.343 -24.079 9.981 1.00 0.00 N ATOM 905 NH2 ARG B 97 32.393 -24.335 7.908 1.00 0.00 N ATOM 0 H ARG B 97 37.272 -19.721 5.676 1.00 0.00 H new ATOM 0 HA ARG B 97 39.050 -21.302 7.395 1.00 0.00 H new ATOM 0 HB2 ARG B 97 36.660 -20.960 8.012 1.00 0.00 H new ATOM 0 HB3 ARG B 97 36.166 -21.705 6.505 1.00 0.00 H new ATOM 0 HG2 ARG B 97 37.000 -23.850 7.168 1.00 0.00 H new ATOM 0 HG3 ARG B 97 37.898 -23.173 8.512 1.00 0.00 H new ATOM 0 HD2 ARG B 97 36.005 -24.071 9.564 1.00 0.00 H new ATOM 0 HD3 ARG B 97 35.589 -22.375 9.410 1.00 0.00 H new ATOM 0 HE ARG B 97 34.622 -23.613 7.071 1.00 0.00 H new ATOM 0 HH11 ARG B 97 34.145 -23.837 10.562 1.00 0.00 H new ATOM 0 HH12 ARG B 97 32.466 -24.366 10.416 1.00 0.00 H new ATOM 0 HH21 ARG B 97 32.463 -24.290 6.891 1.00 0.00 H new ATOM 0 HH22 ARG B 97 31.518 -24.621 8.346 1.00 0.00 H new ATOM 919 N LEU B 98 38.137 -22.078 4.340 1.00 0.00 N ATOM 920 CA LEU B 98 38.425 -22.960 3.213 1.00 0.00 C ATOM 921 C LEU B 98 38.320 -22.205 1.891 1.00 0.00 C ATOM 922 O LEU B 98 39.310 -21.675 1.388 1.00 0.00 O ATOM 923 CB LEU B 98 37.463 -24.149 3.212 1.00 0.00 C ATOM 924 CG LEU B 98 37.866 -25.340 4.082 1.00 0.00 C ATOM 925 CD1 LEU B 98 36.717 -26.328 4.201 1.00 0.00 C ATOM 926 CD2 LEU B 98 39.102 -26.021 3.513 1.00 0.00 C ATOM 0 H LEU B 98 37.517 -21.299 4.119 1.00 0.00 H new ATOM 0 HA LEU B 98 39.446 -23.327 3.321 1.00 0.00 H new ATOM 0 HB2 LEU B 98 36.485 -23.799 3.541 1.00 0.00 H new ATOM 0 HB3 LEU B 98 37.348 -24.497 2.185 1.00 0.00 H new ATOM 0 HG LEU B 98 38.105 -24.972 5.080 1.00 0.00 H new ATOM 0 HD11 LEU B 98 37.023 -27.169 4.824 1.00 0.00 H new ATOM 0 HD12 LEU B 98 35.858 -25.834 4.655 1.00 0.00 H new ATOM 0 HD13 LEU B 98 36.445 -26.691 3.210 1.00 0.00 H new ATOM 0 HD21 LEU B 98 39.375 -26.866 4.145 1.00 0.00 H new ATOM 0 HD22 LEU B 98 38.890 -26.375 2.504 1.00 0.00 H new ATOM 0 HD23 LEU B 98 39.928 -25.310 3.482 1.00 0.00 H new TER 938 LEU B 98