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 56:sc= -1.08! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 74 THR OG1 : rot 76:sc= 1.24 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot 55:sc= -0.783! 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 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 70 2.093 -0.001 -1.242 1.00 0.00 C ATOM 3 C GLU A 70 2.961 -1.251 -1.346 1.00 0.00 C ATOM 4 O GLU A 70 3.296 -1.890 -0.348 1.00 0.00 O ATOM 5 CB GLU A 70 2.968 1.250 -1.330 1.00 0.00 C ATOM 6 CG GLU A 70 3.643 1.614 -0.019 1.00 0.00 C ATOM 7 CD GLU A 70 2.933 2.738 0.711 1.00 0.00 C ATOM 8 OE1 GLU A 70 1.686 2.713 0.770 1.00 0.00 O ATOM 9 OE2 GLU A 70 3.626 3.642 1.224 1.00 0.00 O ATOM 0 HA GLU A 70 1.387 -0.000 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.732 1.096 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.355 2.089 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.679 0.734 0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.674 1.908 -0.215 1.00 0.00 H new ATOM 16 N PRO A 71 3.335 -1.611 -2.583 1.00 0.00 N ATOM 17 CA PRO A 71 4.170 -2.787 -2.848 1.00 0.00 C ATOM 18 C PRO A 71 5.603 -2.601 -2.363 1.00 0.00 C ATOM 19 O PRO A 71 6.403 -1.923 -3.007 1.00 0.00 O ATOM 20 CB PRO A 71 4.133 -2.912 -4.373 1.00 0.00 C ATOM 21 CG PRO A 71 3.853 -1.532 -4.859 1.00 0.00 C ATOM 22 CD PRO A 71 2.973 -0.897 -3.819 1.00 0.00 C ATOM 0 HA PRO A 71 3.806 -3.672 -2.326 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.080 -3.284 -4.763 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.360 -3.610 -4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.777 -0.968 -4.985 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.357 -1.553 -5.829 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.160 0.174 -3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.917 -1.018 -4.058 1.00 0.00 H new ATOM 30 N GLU A 72 5.921 -3.208 -1.223 1.00 0.00 N ATOM 31 CA GLU A 72 7.259 -3.109 -0.653 1.00 0.00 C ATOM 32 C GLU A 72 8.008 -4.432 -0.788 1.00 0.00 C ATOM 33 O GLU A 72 9.083 -4.490 -1.385 1.00 0.00 O ATOM 34 CB GLU A 72 7.181 -2.702 0.820 1.00 0.00 C ATOM 35 CG GLU A 72 8.530 -2.686 1.520 1.00 0.00 C ATOM 36 CD GLU A 72 8.566 -3.589 2.737 1.00 0.00 C ATOM 37 OE1 GLU A 72 8.127 -4.753 2.627 1.00 0.00 O ATOM 38 OE2 GLU A 72 9.035 -3.132 3.801 1.00 0.00 O ATOM 0 H GLU A 72 5.270 -3.773 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 72 7.806 -2.345 -1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.733 -1.711 0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.518 -3.390 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.303 -2.998 0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.766 -1.666 1.822 1.00 0.00 H new ATOM 45 N ILE A 73 7.432 -5.490 -0.229 1.00 0.00 N ATOM 46 CA ILE A 73 8.044 -6.812 -0.287 1.00 0.00 C ATOM 47 C ILE A 73 8.429 -7.177 -1.717 1.00 0.00 C ATOM 48 O ILE A 73 9.405 -7.892 -1.946 1.00 0.00 O ATOM 49 CB ILE A 73 7.100 -7.894 0.271 1.00 0.00 C ATOM 50 CG1 ILE A 73 6.726 -7.577 1.720 1.00 0.00 C ATOM 51 CG2 ILE A 73 7.752 -9.266 0.174 1.00 0.00 C ATOM 52 CD1 ILE A 73 5.632 -8.466 2.270 1.00 0.00 C ATOM 0 H ILE A 73 6.543 -5.458 0.269 1.00 0.00 H new ATOM 0 HA ILE A 73 8.942 -6.772 0.329 1.00 0.00 H new ATOM 0 HB ILE A 73 6.188 -7.903 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.613 -7.677 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.405 -6.537 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.073 -10.020 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.973 -9.491 -0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.677 -9.271 0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.419 -8.185 3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.731 -8.349 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.957 -9.506 2.238 1.00 0.00 H new ATOM 64 N THR A 74 7.656 -6.679 -2.677 1.00 0.00 N ATOM 65 CA THR A 74 7.916 -6.952 -4.085 1.00 0.00 C ATOM 66 C THR A 74 9.254 -6.366 -4.521 1.00 0.00 C ATOM 67 O THR A 74 10.083 -7.058 -5.115 1.00 0.00 O ATOM 68 CB THR A 74 6.802 -6.381 -4.983 1.00 0.00 C ATOM 69 OG1 THR A 74 5.542 -6.962 -4.629 1.00 0.00 O ATOM 70 CG2 THR A 74 7.097 -6.653 -6.450 1.00 0.00 C ATOM 0 H THR A 74 6.845 -6.085 -2.505 1.00 0.00 H new ATOM 0 HA THR A 74 7.943 -8.036 -4.197 1.00 0.00 H new ATOM 0 HB THR A 74 6.760 -5.302 -4.831 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.839 -6.593 -5.203 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.297 -6.241 -7.065 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.043 -6.185 -6.724 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.163 -7.728 -6.614 1.00 0.00 H new ATOM 78 N LEU A 75 9.461 -5.089 -4.221 1.00 0.00 N ATOM 79 CA LEU A 75 10.701 -4.409 -4.582 1.00 0.00 C ATOM 80 C LEU A 75 11.890 -5.022 -3.849 1.00 0.00 C ATOM 81 O LEU A 75 12.982 -5.140 -4.407 1.00 0.00 O ATOM 82 CB LEU A 75 10.601 -2.918 -4.257 1.00 0.00 C ATOM 83 CG LEU A 75 9.457 -2.160 -4.931 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.190 -0.846 -4.212 1.00 0.00 C ATOM 85 CD2 LEU A 75 9.772 -1.912 -6.399 1.00 0.00 C ATOM 0 H LEU A 75 8.787 -4.503 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 75 10.855 -4.531 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.497 -2.808 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.541 -2.442 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 75 8.557 -2.772 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.373 -0.321 -4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.918 -1.047 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.087 -0.228 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.946 -1.371 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.684 -1.321 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.912 -2.866 -6.907 1.00 0.00 H new ATOM 97 N ILE A 76 11.671 -5.411 -2.598 1.00 0.00 N ATOM 98 CA ILE A 76 12.724 -6.015 -1.791 1.00 0.00 C ATOM 99 C ILE A 76 13.144 -7.368 -2.356 1.00 0.00 C ATOM 100 O ILE A 76 14.332 -7.686 -2.413 1.00 0.00 O ATOM 101 CB ILE A 76 12.277 -6.199 -0.328 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.820 -4.863 0.260 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.407 -6.791 0.501 1.00 0.00 C ATOM 104 CD1 ILE A 76 11.060 -5.004 1.561 1.00 0.00 C ATOM 0 H ILE A 76 10.774 -5.319 -2.121 1.00 0.00 H new ATOM 0 HA ILE A 76 13.573 -5.333 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 76 11.435 -6.891 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.692 -4.230 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.188 -4.352 -0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.076 -6.915 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.689 -7.761 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.267 -6.122 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.767 -4.017 1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.169 -5.610 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.696 -5.486 2.303 1.00 0.00 H new ATOM 116 N ILE A 77 12.161 -8.158 -2.776 1.00 0.00 N ATOM 117 CA ILE A 77 12.429 -9.475 -3.340 1.00 0.00 C ATOM 118 C ILE A 77 13.179 -9.364 -4.663 1.00 0.00 C ATOM 119 O ILE A 77 14.270 -9.914 -4.818 1.00 0.00 O ATOM 120 CB ILE A 77 11.127 -10.265 -3.566 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.541 -10.719 -2.228 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.384 -11.461 -4.471 1.00 0.00 C ATOM 123 CD1 ILE A 77 11.377 -11.767 -1.526 1.00 0.00 C ATOM 0 H ILE A 77 11.173 -7.909 -2.736 1.00 0.00 H new ATOM 0 HA ILE A 77 13.048 -10.008 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 77 10.404 -9.612 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.435 -9.853 -1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.540 -11.117 -2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.454 -12.010 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.761 -11.115 -5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.121 -12.116 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.901 -12.041 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.462 -12.649 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.371 -11.366 -1.327 1.00 0.00 H new ATOM 135 N PHE A 78 12.589 -8.646 -5.613 1.00 0.00 N ATOM 136 CA PHE A 78 13.202 -8.462 -6.923 1.00 0.00 C ATOM 137 C PHE A 78 14.558 -7.772 -6.797 1.00 0.00 C ATOM 138 O PHE A 78 15.463 -8.009 -7.596 1.00 0.00 O ATOM 139 CB PHE A 78 12.282 -7.641 -7.829 1.00 0.00 C ATOM 140 CG PHE A 78 12.925 -7.233 -9.124 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.650 -6.055 -9.213 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.803 -8.026 -10.253 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.242 -5.677 -10.403 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.393 -7.654 -11.446 1.00 0.00 C ATOM 145 CZ PHE A 78 14.113 -6.477 -11.521 1.00 0.00 C ATOM 0 H PHE A 78 11.688 -8.182 -5.500 1.00 0.00 H new ATOM 0 HA PHE A 78 13.354 -9.446 -7.367 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.385 -8.222 -8.045 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.962 -6.747 -7.294 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.753 -5.425 -8.342 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.240 -8.946 -10.200 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.805 -4.757 -10.459 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.291 -8.282 -12.319 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.574 -6.183 -12.452 1.00 0.00 H new ATOM 155 N GLY A 79 14.689 -6.918 -5.787 1.00 0.00 N ATOM 156 CA GLY A 79 15.936 -6.206 -5.574 1.00 0.00 C ATOM 157 C GLY A 79 17.056 -7.122 -5.124 1.00 0.00 C ATOM 158 O GLY A 79 18.048 -7.297 -5.832 1.00 0.00 O ATOM 0 H GLY A 79 13.954 -6.706 -5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.228 -5.707 -6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.784 -5.428 -4.826 1.00 0.00 H new ATOM 162 N VAL A 80 16.900 -7.708 -3.941 1.00 0.00 N ATOM 163 CA VAL A 80 17.907 -8.611 -3.396 1.00 0.00 C ATOM 164 C VAL A 80 18.190 -9.762 -4.356 1.00 0.00 C ATOM 165 O VAL A 80 19.324 -10.227 -4.465 1.00 0.00 O ATOM 166 CB VAL A 80 17.468 -9.187 -2.037 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.522 -10.141 -1.496 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.195 -8.064 -1.047 1.00 0.00 C ATOM 0 H VAL A 80 16.086 -7.574 -3.342 1.00 0.00 H new ATOM 0 HA VAL A 80 18.816 -8.025 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 80 16.544 -9.748 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.194 -10.538 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.664 -10.962 -2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.463 -9.607 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.886 -8.488 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.101 -7.475 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.402 -7.423 -1.433 1.00 0.00 H new ATOM 178 N MET A 81 17.151 -10.216 -5.049 1.00 0.00 N ATOM 179 CA MET A 81 17.289 -11.312 -6.001 1.00 0.00 C ATOM 180 C MET A 81 18.176 -10.905 -7.173 1.00 0.00 C ATOM 181 O MET A 81 19.081 -11.643 -7.564 1.00 0.00 O ATOM 182 CB MET A 81 15.914 -11.746 -6.514 1.00 0.00 C ATOM 183 CG MET A 81 15.153 -12.629 -5.538 1.00 0.00 C ATOM 184 SD MET A 81 15.622 -14.365 -5.661 1.00 0.00 S ATOM 185 CE MET A 81 14.170 -15.157 -4.973 1.00 0.00 C ATOM 0 H MET A 81 16.205 -9.842 -4.969 1.00 0.00 H new ATOM 0 HA MET A 81 17.759 -12.150 -5.487 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.319 -10.859 -6.729 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.039 -12.282 -7.455 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.333 -12.279 -4.521 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.083 -12.532 -5.724 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.307 -16.238 -4.980 1.00 0.00 H new ATOM 0 HE2 MET A 81 14.021 -14.817 -3.948 1.00 0.00 H new ATOM 0 HE3 MET A 81 13.296 -14.898 -5.571 1.00 0.00 H new ATOM 195 N ALA A 82 17.911 -9.728 -7.731 1.00 0.00 N ATOM 196 CA ALA A 82 18.687 -9.224 -8.857 1.00 0.00 C ATOM 197 C ALA A 82 20.145 -9.009 -8.466 1.00 0.00 C ATOM 198 O ALA A 82 21.054 -9.273 -9.252 1.00 0.00 O ATOM 199 CB ALA A 82 18.081 -7.929 -9.377 1.00 0.00 C ATOM 0 H ALA A 82 17.164 -9.106 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 82 18.658 -9.971 -9.651 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.670 -7.563 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.057 -8.112 -9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.081 -7.183 -8.583 1.00 0.00 H new ATOM 205 N GLY A 83 20.361 -8.526 -7.246 1.00 0.00 N ATOM 206 CA GLY A 83 21.711 -8.282 -6.773 1.00 0.00 C ATOM 207 C GLY A 83 22.453 -9.564 -6.453 1.00 0.00 C ATOM 208 O GLY A 83 23.528 -9.821 -6.995 1.00 0.00 O ATOM 0 H GLY A 83 19.625 -8.299 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.263 -7.726 -7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.673 -7.656 -5.882 1.00 0.00 H new ATOM 212 N VAL A 84 21.880 -10.373 -5.567 1.00 0.00 N ATOM 213 CA VAL A 84 22.494 -11.635 -5.174 1.00 0.00 C ATOM 214 C VAL A 84 22.789 -12.505 -6.391 1.00 0.00 C ATOM 215 O VAL A 84 23.896 -13.022 -6.543 1.00 0.00 O ATOM 216 CB VAL A 84 21.593 -12.420 -4.202 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.211 -13.770 -3.872 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.346 -11.613 -2.936 1.00 0.00 C ATOM 0 H VAL A 84 20.991 -10.176 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 84 23.429 -11.388 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 84 20.633 -12.597 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.560 -14.310 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.331 -14.349 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.185 -13.620 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.708 -12.182 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.297 -11.404 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.856 -10.674 -3.193 1.00 0.00 H new ATOM 228 N ILE A 85 21.792 -12.661 -7.255 1.00 0.00 N ATOM 229 CA ILE A 85 21.946 -13.467 -8.459 1.00 0.00 C ATOM 230 C ILE A 85 22.997 -12.872 -9.389 1.00 0.00 C ATOM 231 O ILE A 85 23.885 -13.574 -9.871 1.00 0.00 O ATOM 232 CB ILE A 85 20.615 -13.596 -9.224 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.594 -14.369 -8.387 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.838 -14.282 -10.564 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.977 -15.813 -8.149 1.00 0.00 C ATOM 0 H ILE A 85 20.870 -12.240 -7.144 1.00 0.00 H new ATOM 0 HA ILE A 85 22.269 -14.457 -8.136 1.00 0.00 H new ATOM 0 HB ILE A 85 20.222 -12.597 -9.411 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.473 -13.870 -7.425 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.626 -14.336 -8.888 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.888 -14.366 -11.092 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.535 -13.695 -11.162 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.250 -15.277 -10.399 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.208 -16.299 -7.549 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.070 -16.327 -9.106 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.929 -15.854 -7.621 1.00 0.00 H new ATOM 247 N GLY A 86 22.893 -11.569 -9.635 1.00 0.00 N ATOM 248 CA GLY A 86 23.842 -10.900 -10.505 1.00 0.00 C ATOM 249 C GLY A 86 25.264 -10.986 -9.987 1.00 0.00 C ATOM 250 O GLY A 86 26.211 -11.105 -10.765 1.00 0.00 O ATOM 0 H GLY A 86 22.168 -10.965 -9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.793 -11.343 -11.500 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.559 -9.852 -10.609 1.00 0.00 H new ATOM 254 N THR A 87 25.416 -10.925 -8.667 1.00 0.00 N ATOM 255 CA THR A 87 26.732 -10.994 -8.046 1.00 0.00 C ATOM 256 C THR A 87 27.345 -12.380 -8.207 1.00 0.00 C ATOM 257 O THR A 87 28.428 -12.529 -8.773 1.00 0.00 O ATOM 258 CB THR A 87 26.665 -10.646 -6.547 1.00 0.00 C ATOM 259 OG1 THR A 87 26.101 -9.341 -6.371 1.00 0.00 O ATOM 260 CG2 THR A 87 28.049 -10.695 -5.917 1.00 0.00 C ATOM 0 H THR A 87 24.643 -10.828 -8.008 1.00 0.00 H new ATOM 0 HA THR A 87 27.359 -10.261 -8.554 1.00 0.00 H new ATOM 0 HB THR A 87 26.032 -11.384 -6.054 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.224 -9.302 -6.806 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.976 -10.446 -4.858 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.463 -11.697 -6.026 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.701 -9.977 -6.415 1.00 0.00 H new ATOM 268 N ILE A 88 26.645 -13.393 -7.707 1.00 0.00 N ATOM 269 CA ILE A 88 27.119 -14.768 -7.798 1.00 0.00 C ATOM 270 C ILE A 88 27.383 -15.164 -9.247 1.00 0.00 C ATOM 271 O ILE A 88 28.341 -15.879 -9.542 1.00 0.00 O ATOM 272 CB ILE A 88 26.109 -15.754 -7.183 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.819 -15.381 -5.728 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.636 -17.179 -7.275 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.664 -16.150 -5.125 1.00 0.00 C ATOM 0 H ILE A 88 25.747 -13.287 -7.235 1.00 0.00 H new ATOM 0 HA ILE A 88 28.051 -14.818 -7.235 1.00 0.00 H new ATOM 0 HB ILE A 88 25.178 -15.694 -7.746 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.714 -15.558 -5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.604 -14.314 -5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.911 -17.864 -6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.796 -17.441 -8.321 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.579 -17.254 -6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.516 -15.834 -4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.758 -15.954 -5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 88 24.885 -17.217 -5.150 1.00 0.00 H new ATOM 287 N LEU A 89 26.527 -14.694 -10.147 1.00 0.00 N ATOM 288 CA LEU A 89 26.668 -14.997 -11.567 1.00 0.00 C ATOM 289 C LEU A 89 27.944 -14.382 -12.132 1.00 0.00 C ATOM 290 O LEU A 89 28.765 -15.074 -12.736 1.00 0.00 O ATOM 291 CB LEU A 89 25.454 -14.480 -12.342 1.00 0.00 C ATOM 292 CG LEU A 89 24.252 -15.423 -12.413 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.037 -14.698 -12.970 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.581 -16.644 -13.259 1.00 0.00 C ATOM 0 H LEU A 89 25.728 -14.102 -9.919 1.00 0.00 H new ATOM 0 HA LEU A 89 26.729 -16.080 -11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.130 -13.544 -11.888 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.769 -14.248 -13.359 1.00 0.00 H new ATOM 0 HG LEU A 89 24.018 -15.758 -11.403 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.192 -15.385 -13.013 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.788 -13.856 -12.324 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.259 -14.333 -13.973 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.714 -17.304 -13.298 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.842 -16.327 -14.269 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.423 -17.177 -12.817 1.00 0.00 H new ATOM 306 N LEU A 90 28.107 -13.079 -11.928 1.00 0.00 N ATOM 307 CA LEU A 90 29.286 -12.371 -12.415 1.00 0.00 C ATOM 308 C LEU A 90 30.565 -13.029 -11.908 1.00 0.00 C ATOM 309 O LEU A 90 31.486 -13.296 -12.681 1.00 0.00 O ATOM 310 CB LEU A 90 29.243 -10.907 -11.974 1.00 0.00 C ATOM 311 CG LEU A 90 29.925 -9.905 -12.906 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.511 -8.484 -12.558 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.438 -10.054 -12.836 1.00 0.00 C ATOM 0 H LEU A 90 27.438 -12.492 -11.429 1.00 0.00 H new ATOM 0 HA LEU A 90 29.283 -12.417 -13.504 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.200 -10.614 -11.859 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.706 -10.831 -10.990 1.00 0.00 H new ATOM 0 HG LEU A 90 29.607 -10.114 -13.927 1.00 0.00 H new ATOM 0 HD11 LEU A 90 30.007 -7.785 -13.232 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.431 -8.384 -12.662 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.799 -8.263 -11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 90 31.906 -9.333 -13.506 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.775 -9.873 -11.815 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.718 -11.063 -13.137 1.00 0.00 H new ATOM 325 N ILE A 91 30.614 -13.290 -10.606 1.00 0.00 N ATOM 326 CA ILE A 91 31.779 -13.920 -9.997 1.00 0.00 C ATOM 327 C ILE A 91 31.971 -15.340 -10.519 1.00 0.00 C ATOM 328 O ILE A 91 33.028 -15.678 -11.053 1.00 0.00 O ATOM 329 CB ILE A 91 31.658 -13.962 -8.462 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.509 -12.546 -7.902 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.869 -14.653 -7.854 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.355 -12.504 -6.398 1.00 0.00 C ATOM 0 H ILE A 91 29.861 -13.075 -9.953 1.00 0.00 H new ATOM 0 HA ILE A 91 32.644 -13.315 -10.269 1.00 0.00 H new ATOM 0 HB ILE A 91 30.768 -14.533 -8.198 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.382 -11.958 -8.186 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.642 -12.072 -8.361 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.769 -14.675 -6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.934 -15.673 -8.233 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.773 -14.107 -8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.254 -11.469 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.466 -13.064 -6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.233 -12.949 -5.930 1.00 0.00 H new ATOM 344 N SER A 92 30.943 -16.167 -10.362 1.00 0.00 N ATOM 345 CA SER A 92 30.999 -17.552 -10.816 1.00 0.00 C ATOM 346 C SER A 92 31.358 -17.624 -12.297 1.00 0.00 C ATOM 347 O SER A 92 31.890 -18.628 -12.770 1.00 0.00 O ATOM 348 CB SER A 92 29.658 -18.246 -10.571 1.00 0.00 C ATOM 349 OG SER A 92 29.640 -19.540 -11.149 1.00 0.00 O ATOM 0 H SER A 92 30.061 -15.902 -9.924 1.00 0.00 H new ATOM 0 HA SER A 92 31.775 -18.064 -10.246 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.474 -18.320 -9.499 1.00 0.00 H new ATOM 0 HB3 SER A 92 28.852 -17.645 -10.992 1.00 0.00 H new ATOM 0 HG SER A 92 28.773 -19.963 -10.977 1.00 0.00 H new ATOM 355 N TYR A 93 31.063 -16.552 -13.024 1.00 0.00 N ATOM 356 CA TYR A 93 31.352 -16.493 -14.452 1.00 0.00 C ATOM 357 C TYR A 93 32.854 -16.403 -14.700 1.00 0.00 C ATOM 358 O TYR A 93 33.418 -17.193 -15.456 1.00 0.00 O ATOM 359 CB TYR A 93 30.646 -15.293 -15.087 1.00 0.00 C ATOM 360 CG TYR A 93 30.796 -15.229 -16.590 1.00 0.00 C ATOM 361 CD1 TYR A 93 31.933 -14.683 -17.172 1.00 0.00 C ATOM 362 CD2 TYR A 93 29.800 -15.714 -17.429 1.00 0.00 C ATOM 363 CE1 TYR A 93 32.074 -14.621 -18.545 1.00 0.00 C ATOM 364 CE2 TYR A 93 29.933 -15.659 -18.803 1.00 0.00 C ATOM 365 CZ TYR A 93 31.072 -15.111 -19.356 1.00 0.00 C ATOM 366 OH TYR A 93 31.208 -15.052 -20.724 1.00 0.00 O ATOM 0 H TYR A 93 30.624 -15.712 -12.648 1.00 0.00 H new ATOM 0 HA TYR A 93 30.981 -17.409 -14.911 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.586 -15.332 -14.837 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.043 -14.376 -14.651 1.00 0.00 H new ATOM 0 HD1 TYR A 93 32.721 -14.300 -16.540 1.00 0.00 H new ATOM 0 HD2 TYR A 93 28.906 -16.141 -16.999 1.00 0.00 H new ATOM 0 HE1 TYR A 93 32.964 -14.191 -18.981 1.00 0.00 H new ATOM 0 HE2 TYR A 93 29.150 -16.043 -19.440 1.00 0.00 H new ATOM 0 HH TYR A 93 30.415 -15.440 -21.149 1.00 0.00 H new ATOM 376 N GLY A 94 33.497 -15.433 -14.057 1.00 0.00 N ATOM 377 CA GLY A 94 34.929 -15.257 -14.220 1.00 0.00 C ATOM 378 C GLY A 94 35.718 -16.464 -13.755 1.00 0.00 C ATOM 379 O GLY A 94 36.827 -16.709 -14.231 1.00 0.00 O ATOM 0 H GLY A 94 33.052 -14.766 -13.426 1.00 0.00 H new ATOM 0 HA2 GLY A 94 35.151 -15.064 -15.270 1.00 0.00 H new ATOM 0 HA3 GLY A 94 35.250 -14.379 -13.660 1.00 0.00 H new ATOM 383 N ILE A 95 35.147 -17.220 -12.823 1.00 0.00 N ATOM 384 CA ILE A 95 35.806 -18.407 -12.294 1.00 0.00 C ATOM 385 C ILE A 95 35.706 -19.573 -13.272 1.00 0.00 C ATOM 386 O ILE A 95 36.564 -20.456 -13.292 1.00 0.00 O ATOM 387 CB ILE A 95 35.200 -18.832 -10.943 1.00 0.00 C ATOM 388 CG1 ILE A 95 35.634 -17.866 -9.839 1.00 0.00 C ATOM 389 CG2 ILE A 95 35.613 -20.256 -10.601 1.00 0.00 C ATOM 390 CD1 ILE A 95 34.733 -17.893 -8.624 1.00 0.00 C ATOM 0 H ILE A 95 34.230 -17.031 -12.419 1.00 0.00 H new ATOM 0 HA ILE A 95 36.854 -18.147 -12.148 1.00 0.00 H new ATOM 0 HB ILE A 95 34.113 -18.799 -11.023 1.00 0.00 H new ATOM 0 HG12 ILE A 95 36.651 -18.110 -9.533 1.00 0.00 H new ATOM 0 HG13 ILE A 95 35.657 -16.853 -10.242 1.00 0.00 H new ATOM 0 HG21 ILE A 95 35.177 -20.541 -9.644 1.00 0.00 H new ATOM 0 HG22 ILE A 95 35.259 -20.934 -11.378 1.00 0.00 H new ATOM 0 HG23 ILE A 95 36.700 -20.314 -10.536 1.00 0.00 H new ATOM 0 HD11 ILE A 95 35.101 -17.184 -7.882 1.00 0.00 H new ATOM 0 HD12 ILE A 95 33.719 -17.619 -8.917 1.00 0.00 H new ATOM 0 HD13 ILE A 95 34.729 -18.896 -8.196 1.00 0.00 H new ATOM 402 N ARG A 96 34.653 -19.569 -14.084 1.00 0.00 N ATOM 403 CA ARG A 96 34.441 -20.626 -15.065 1.00 0.00 C ATOM 404 C ARG A 96 35.552 -20.626 -16.112 1.00 0.00 C ATOM 405 O ARG A 96 35.829 -21.650 -16.736 1.00 0.00 O ATOM 406 CB ARG A 96 33.083 -20.453 -15.747 1.00 0.00 C ATOM 407 CG ARG A 96 33.171 -19.824 -17.128 1.00 0.00 C ATOM 408 CD ARG A 96 31.838 -19.228 -17.555 1.00 0.00 C ATOM 409 NE ARG A 96 30.752 -20.200 -17.467 1.00 0.00 N ATOM 410 CZ ARG A 96 29.609 -20.087 -18.135 1.00 0.00 C ATOM 411 NH1 ARG A 96 29.404 -19.050 -18.935 1.00 0.00 N ATOM 412 NH2 ARG A 96 28.667 -21.013 -18.002 1.00 0.00 N ATOM 0 H ARG A 96 33.934 -18.845 -14.081 1.00 0.00 H new ATOM 0 HA ARG A 96 34.458 -21.582 -14.542 1.00 0.00 H new ATOM 0 HB2 ARG A 96 32.601 -21.427 -15.831 1.00 0.00 H new ATOM 0 HB3 ARG A 96 32.445 -19.835 -15.115 1.00 0.00 H new ATOM 0 HG2 ARG A 96 33.935 -19.046 -17.127 1.00 0.00 H new ATOM 0 HG3 ARG A 96 33.483 -20.576 -17.852 1.00 0.00 H new ATOM 0 HD2 ARG A 96 31.607 -18.368 -16.926 1.00 0.00 H new ATOM 0 HD3 ARG A 96 31.915 -18.862 -18.579 1.00 0.00 H new ATOM 0 HE ARG A 96 30.878 -21.010 -16.860 1.00 0.00 H new ATOM 0 HH11 ARG A 96 30.125 -18.336 -19.039 1.00 0.00 H new ATOM 0 HH12 ARG A 96 28.525 -18.966 -19.446 1.00 0.00 H new ATOM 0 HH21 ARG A 96 28.820 -21.812 -17.387 1.00 0.00 H new ATOM 0 HH22 ARG A 96 27.790 -20.926 -18.515 1.00 0.00 H new ATOM 426 N ARG A 97 36.183 -19.472 -16.298 1.00 0.00 N ATOM 427 CA ARG A 97 37.261 -19.339 -17.270 1.00 0.00 C ATOM 428 C ARG A 97 38.595 -19.764 -16.663 1.00 0.00 C ATOM 429 O ARG A 97 39.436 -20.358 -17.340 1.00 0.00 O ATOM 430 CB ARG A 97 37.353 -17.895 -17.768 1.00 0.00 C ATOM 431 CG ARG A 97 38.420 -17.683 -18.829 1.00 0.00 C ATOM 432 CD ARG A 97 37.916 -16.793 -19.955 1.00 0.00 C ATOM 433 NE ARG A 97 36.793 -17.395 -20.669 1.00 0.00 N ATOM 434 CZ ARG A 97 36.265 -16.882 -21.774 1.00 0.00 C ATOM 435 NH1 ARG A 97 36.756 -15.764 -22.290 1.00 0.00 N ATOM 436 NH2 ARG A 97 35.244 -17.489 -22.366 1.00 0.00 N ATOM 0 H ARG A 97 35.966 -18.615 -15.788 1.00 0.00 H new ATOM 0 HA ARG A 97 37.039 -19.993 -18.113 1.00 0.00 H new ATOM 0 HB2 ARG A 97 36.386 -17.597 -18.173 1.00 0.00 H new ATOM 0 HB3 ARG A 97 37.559 -17.240 -16.921 1.00 0.00 H new ATOM 0 HG2 ARG A 97 39.302 -17.232 -18.375 1.00 0.00 H new ATOM 0 HG3 ARG A 97 38.728 -18.647 -19.235 1.00 0.00 H new ATOM 0 HD2 ARG A 97 37.611 -15.830 -19.546 1.00 0.00 H new ATOM 0 HD3 ARG A 97 38.729 -16.599 -20.655 1.00 0.00 H new ATOM 0 HE ARG A 97 36.392 -18.257 -20.298 1.00 0.00 H new ATOM 0 HH11 ARG A 97 37.541 -15.296 -21.838 1.00 0.00 H new ATOM 0 HH12 ARG A 97 36.348 -15.372 -23.139 1.00 0.00 H new ATOM 0 HH21 ARG A 97 34.865 -18.350 -21.972 1.00 0.00 H new ATOM 0 HH22 ARG A 97 34.839 -17.095 -23.215 1.00 0.00 H new ATOM 450 N LEU A 98 38.783 -19.456 -15.385 1.00 0.00 N ATOM 451 CA LEU A 98 40.015 -19.806 -14.686 1.00 0.00 C ATOM 452 C LEU A 98 39.764 -19.975 -13.191 1.00 0.00 C ATOM 453 O LEU A 98 39.755 -18.981 -12.466 1.00 0.00 O ATOM 454 CB LEU A 98 41.079 -18.732 -14.919 1.00 0.00 C ATOM 455 CG LEU A 98 40.622 -17.488 -15.682 1.00 0.00 C ATOM 456 CD1 LEU A 98 39.694 -16.645 -14.821 1.00 0.00 C ATOM 457 CD2 LEU A 98 41.822 -16.670 -16.136 1.00 0.00 C ATOM 0 H LEU A 98 38.098 -18.964 -14.811 1.00 0.00 H new ATOM 0 HA LEU A 98 40.373 -20.755 -15.084 1.00 0.00 H new ATOM 0 HB2 LEU A 98 41.467 -18.417 -13.950 1.00 0.00 H new ATOM 0 HB3 LEU A 98 41.909 -19.183 -15.463 1.00 0.00 H new ATOM 0 HG LEU A 98 40.071 -17.809 -16.566 1.00 0.00 H new ATOM 0 HD11 LEU A 98 39.379 -15.764 -15.380 1.00 0.00 H new ATOM 0 HD12 LEU A 98 38.818 -17.233 -14.547 1.00 0.00 H new ATOM 0 HD13 LEU A 98 40.219 -16.333 -13.918 1.00 0.00 H new ATOM 0 HD21 LEU A 98 41.478 -15.789 -16.677 1.00 0.00 H new ATOM 0 HD22 LEU A 98 42.400 -16.359 -15.266 1.00 0.00 H new ATOM 0 HD23 LEU A 98 42.449 -17.276 -16.790 1.00 0.00 H new TER 469 LEU A 98 ATOM 470 N GLU B 70 11.558 9.684 -1.466 1.00 0.00 N ATOM 471 CA GLU B 70 12.057 8.858 -2.559 1.00 0.00 C ATOM 472 C GLU B 70 11.718 7.388 -2.329 1.00 0.00 C ATOM 473 O GLU B 70 12.588 6.557 -2.068 1.00 0.00 O ATOM 474 CB GLU B 70 13.571 9.026 -2.705 1.00 0.00 C ATOM 475 CG GLU B 70 13.989 10.421 -3.138 1.00 0.00 C ATOM 476 CD GLU B 70 15.390 10.778 -2.680 1.00 0.00 C ATOM 477 OE1 GLU B 70 16.202 9.851 -2.478 1.00 0.00 O ATOM 478 OE2 GLU B 70 15.675 11.984 -2.525 1.00 0.00 O ATOM 0 HA GLU B 70 11.572 9.186 -3.478 1.00 0.00 H new ATOM 0 HB2 GLU B 70 14.048 8.792 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU B 70 13.940 8.303 -3.432 1.00 0.00 H new ATOM 0 HG2 GLU B 70 13.937 10.491 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU B 70 13.283 11.149 -2.737 1.00 0.00 H new ATOM 485 N PRO B 71 10.421 7.058 -2.427 1.00 0.00 N ATOM 486 CA PRO B 71 9.936 5.688 -2.233 1.00 0.00 C ATOM 487 C PRO B 71 10.359 4.758 -3.364 1.00 0.00 C ATOM 488 O PRO B 71 10.822 5.210 -4.411 1.00 0.00 O ATOM 489 CB PRO B 71 8.414 5.851 -2.215 1.00 0.00 C ATOM 490 CG PRO B 71 8.156 7.093 -2.996 1.00 0.00 C ATOM 491 CD PRO B 71 9.329 7.997 -2.736 1.00 0.00 C ATOM 0 HA PRO B 71 10.341 5.236 -1.328 1.00 0.00 H new ATOM 0 HB2 PRO B 71 7.919 4.991 -2.665 1.00 0.00 H new ATOM 0 HB3 PRO B 71 8.037 5.939 -1.196 1.00 0.00 H new ATOM 0 HG2 PRO B 71 8.061 6.873 -4.059 1.00 0.00 H new ATOM 0 HG3 PRO B 71 7.224 7.564 -2.684 1.00 0.00 H new ATOM 0 HD2 PRO B 71 9.562 8.613 -3.605 1.00 0.00 H new ATOM 0 HD3 PRO B 71 9.136 8.677 -1.906 1.00 0.00 H new ATOM 499 N GLU B 72 10.197 3.456 -3.146 1.00 0.00 N ATOM 500 CA GLU B 72 10.563 2.463 -4.149 1.00 0.00 C ATOM 501 C GLU B 72 12.080 2.353 -4.277 1.00 0.00 C ATOM 502 O GLU B 72 12.674 1.345 -3.894 1.00 0.00 O ATOM 503 CB GLU B 72 9.950 2.823 -5.504 1.00 0.00 C ATOM 504 CG GLU B 72 8.524 3.339 -5.409 1.00 0.00 C ATOM 505 CD GLU B 72 7.652 2.858 -6.552 1.00 0.00 C ATOM 506 OE1 GLU B 72 8.209 2.499 -7.611 1.00 0.00 O ATOM 507 OE2 GLU B 72 6.415 2.840 -6.389 1.00 0.00 O ATOM 0 H GLU B 72 9.815 3.065 -2.285 1.00 0.00 H new ATOM 0 HA GLU B 72 10.172 1.498 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.570 3.580 -5.984 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.967 1.943 -6.146 1.00 0.00 H new ATOM 0 HG2 GLU B 72 8.087 3.017 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU B 72 8.536 4.429 -5.400 1.00 0.00 H new ATOM 514 N ILE B 73 12.699 3.397 -4.819 1.00 0.00 N ATOM 515 CA ILE B 73 14.145 3.418 -4.998 1.00 0.00 C ATOM 516 C ILE B 73 14.864 3.052 -3.704 1.00 0.00 C ATOM 517 O ILE B 73 15.952 2.476 -3.727 1.00 0.00 O ATOM 518 CB ILE B 73 14.633 4.801 -5.470 1.00 0.00 C ATOM 519 CG1 ILE B 73 13.945 5.189 -6.781 1.00 0.00 C ATOM 520 CG2 ILE B 73 16.145 4.799 -5.640 1.00 0.00 C ATOM 521 CD1 ILE B 73 14.285 4.272 -7.936 1.00 0.00 C ATOM 0 H ILE B 73 12.221 4.239 -5.141 1.00 0.00 H new ATOM 0 HA ILE B 73 14.380 2.678 -5.763 1.00 0.00 H new ATOM 0 HB ILE B 73 14.373 5.540 -4.712 1.00 0.00 H new ATOM 0 HG12 ILE B 73 12.865 5.186 -6.630 1.00 0.00 H new ATOM 0 HG13 ILE B 73 14.227 6.209 -7.042 1.00 0.00 H new ATOM 0 HG21 ILE B 73 16.475 5.783 -5.974 1.00 0.00 H new ATOM 0 HG22 ILE B 73 16.618 4.562 -4.687 1.00 0.00 H new ATOM 0 HG23 ILE B 73 16.427 4.051 -6.381 1.00 0.00 H new ATOM 0 HD11 ILE B 73 13.763 4.607 -8.832 1.00 0.00 H new ATOM 0 HD12 ILE B 73 15.360 4.294 -8.113 1.00 0.00 H new ATOM 0 HD13 ILE B 73 13.977 3.254 -7.695 1.00 0.00 H new ATOM 533 N THR B 74 14.248 3.389 -2.575 1.00 0.00 N ATOM 534 CA THR B 74 14.829 3.095 -1.271 1.00 0.00 C ATOM 535 C THR B 74 14.900 1.592 -1.027 1.00 0.00 C ATOM 536 O THR B 74 15.933 1.069 -0.609 1.00 0.00 O ATOM 537 CB THR B 74 14.020 3.751 -0.136 1.00 0.00 C ATOM 538 OG1 THR B 74 13.971 5.169 -0.325 1.00 0.00 O ATOM 539 CG2 THR B 74 14.636 3.436 1.219 1.00 0.00 C ATOM 0 H THR B 74 13.347 3.866 -2.538 1.00 0.00 H new ATOM 0 HA THR B 74 15.838 3.507 -1.274 1.00 0.00 H new ATOM 0 HB THR B 74 13.008 3.347 -0.161 1.00 0.00 H new ATOM 0 HG1 THR B 74 13.335 5.382 -1.040 1.00 0.00 H new ATOM 0 HG21 THR B 74 14.048 3.910 2.005 1.00 0.00 H new ATOM 0 HG22 THR B 74 14.645 2.357 1.373 1.00 0.00 H new ATOM 0 HG23 THR B 74 15.657 3.815 1.251 1.00 0.00 H new ATOM 547 N LEU B 75 13.795 0.902 -1.290 1.00 0.00 N ATOM 548 CA LEU B 75 13.732 -0.543 -1.099 1.00 0.00 C ATOM 549 C LEU B 75 14.658 -1.262 -2.075 1.00 0.00 C ATOM 550 O LEU B 75 15.280 -2.267 -1.729 1.00 0.00 O ATOM 551 CB LEU B 75 12.297 -1.039 -1.281 1.00 0.00 C ATOM 552 CG LEU B 75 11.201 -0.159 -0.679 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.836 -0.803 -0.865 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.474 0.099 0.796 1.00 0.00 C ATOM 0 H LEU B 75 12.931 1.320 -1.636 1.00 0.00 H new ATOM 0 HA LEU B 75 14.061 -0.765 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU B 75 12.104 -1.146 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.219 -2.033 -0.841 1.00 0.00 H new ATOM 0 HG LEU B 75 11.203 0.798 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.069 -0.162 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.638 -0.935 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.821 -1.774 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.684 0.727 1.208 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.500 -0.849 1.332 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.433 0.605 0.905 1.00 0.00 H new ATOM 566 N ILE B 76 14.747 -0.739 -3.293 1.00 0.00 N ATOM 567 CA ILE B 76 15.600 -1.329 -4.317 1.00 0.00 C ATOM 568 C ILE B 76 17.074 -1.195 -3.949 1.00 0.00 C ATOM 569 O ILE B 76 17.852 -2.135 -4.110 1.00 0.00 O ATOM 570 CB ILE B 76 15.364 -0.676 -5.692 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.889 -0.782 -6.085 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.247 -1.326 -6.746 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.427 -2.204 -6.318 1.00 0.00 C ATOM 0 H ILE B 76 14.239 0.092 -3.595 1.00 0.00 H new ATOM 0 HA ILE B 76 15.337 -2.385 -4.376 1.00 0.00 H new ATOM 0 HB ILE B 76 15.628 0.380 -5.626 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.279 -0.334 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.720 -0.200 -6.991 1.00 0.00 H new ATOM 0 HG21 ILE B 76 16.068 -0.854 -7.712 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.294 -1.203 -6.470 1.00 0.00 H new ATOM 0 HG23 ILE B 76 16.012 -2.388 -6.813 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.372 -2.203 -6.593 1.00 0.00 H new ATOM 0 HD12 ILE B 76 14.012 -2.649 -7.123 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.564 -2.785 -5.406 1.00 0.00 H new ATOM 585 N ILE B 77 17.449 -0.021 -3.453 1.00 0.00 N ATOM 586 CA ILE B 77 18.829 0.235 -3.059 1.00 0.00 C ATOM 587 C ILE B 77 19.230 -0.628 -1.867 1.00 0.00 C ATOM 588 O ILE B 77 20.189 -1.396 -1.938 1.00 0.00 O ATOM 589 CB ILE B 77 19.047 1.717 -2.702 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.994 2.582 -3.963 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.376 1.900 -1.984 1.00 0.00 C ATOM 592 CD1 ILE B 77 20.154 2.348 -4.905 1.00 0.00 C ATOM 0 H ILE B 77 16.817 0.768 -3.314 1.00 0.00 H new ATOM 0 HA ILE B 77 19.454 -0.020 -3.915 1.00 0.00 H new ATOM 0 HB ILE B 77 18.248 2.034 -2.032 1.00 0.00 H new ATOM 0 HG12 ILE B 77 18.062 2.383 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.978 3.633 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.515 2.953 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.378 1.310 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.188 1.568 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE B 77 20.051 2.994 -5.777 1.00 0.00 H new ATOM 0 HD12 ILE B 77 21.089 2.575 -4.394 1.00 0.00 H new ATOM 0 HD13 ILE B 77 20.159 1.306 -5.225 1.00 0.00 H new ATOM 604 N PHE B 78 18.487 -0.497 -0.773 1.00 0.00 N ATOM 605 CA PHE B 78 18.764 -1.265 0.435 1.00 0.00 C ATOM 606 C PHE B 78 18.646 -2.762 0.167 1.00 0.00 C ATOM 607 O PHE B 78 19.336 -3.572 0.786 1.00 0.00 O ATOM 608 CB PHE B 78 17.803 -0.859 1.555 1.00 0.00 C ATOM 609 CG PHE B 78 17.893 -1.738 2.770 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.128 -2.889 2.866 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.742 -1.412 3.815 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.209 -3.700 3.983 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.827 -2.219 4.934 1.00 0.00 C ATOM 614 CZ PHE B 78 18.058 -3.364 5.019 1.00 0.00 C ATOM 0 H PHE B 78 17.689 0.134 -0.698 1.00 0.00 H new ATOM 0 HA PHE B 78 19.786 -1.049 0.746 1.00 0.00 H new ATOM 0 HB2 PHE B 78 18.010 0.171 1.845 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.782 -0.883 1.174 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.461 -3.156 2.060 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.344 -0.517 3.755 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.609 -4.596 4.045 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.494 -1.955 5.741 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.121 -3.995 5.894 1.00 0.00 H new ATOM 624 N GLY B 79 17.766 -3.124 -0.762 1.00 0.00 N ATOM 625 CA GLY B 79 17.572 -4.522 -1.097 1.00 0.00 C ATOM 626 C GLY B 79 18.770 -5.119 -1.808 1.00 0.00 C ATOM 627 O GLY B 79 19.425 -6.022 -1.287 1.00 0.00 O ATOM 0 H GLY B 79 17.184 -2.473 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.375 -5.087 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.691 -4.622 -1.730 1.00 0.00 H new ATOM 631 N VAL B 80 19.057 -4.616 -3.005 1.00 0.00 N ATOM 632 CA VAL B 80 20.184 -5.106 -3.790 1.00 0.00 C ATOM 633 C VAL B 80 21.489 -4.986 -3.011 1.00 0.00 C ATOM 634 O VAL B 80 22.371 -5.837 -3.124 1.00 0.00 O ATOM 635 CB VAL B 80 20.319 -4.338 -5.118 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.519 -4.839 -5.906 1.00 0.00 C ATOM 637 CG2 VAL B 80 19.043 -4.463 -5.937 1.00 0.00 C ATOM 0 H VAL B 80 18.525 -3.870 -3.452 1.00 0.00 H new ATOM 0 HA VAL B 80 19.988 -6.156 -4.005 1.00 0.00 H new ATOM 0 HB VAL B 80 20.478 -3.283 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.598 -4.284 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.426 -4.692 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.395 -5.900 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.156 -3.914 -6.872 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.851 -5.514 -6.154 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.207 -4.050 -5.373 1.00 0.00 H new ATOM 647 N MET B 81 21.605 -3.924 -2.221 1.00 0.00 N ATOM 648 CA MET B 81 22.803 -3.694 -1.421 1.00 0.00 C ATOM 649 C MET B 81 22.965 -4.779 -0.361 1.00 0.00 C ATOM 650 O MET B 81 24.050 -5.334 -0.189 1.00 0.00 O ATOM 651 CB MET B 81 22.741 -2.318 -0.755 1.00 0.00 C ATOM 652 CG MET B 81 23.128 -1.177 -1.681 1.00 0.00 C ATOM 653 SD MET B 81 24.914 -0.973 -1.822 1.00 0.00 S ATOM 654 CE MET B 81 25.255 0.031 -0.379 1.00 0.00 C ATOM 0 H MET B 81 20.885 -3.209 -2.117 1.00 0.00 H new ATOM 0 HA MET B 81 23.666 -3.729 -2.086 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.730 -2.148 -0.385 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.403 -2.312 0.111 1.00 0.00 H new ATOM 0 HG2 MET B 81 22.708 -1.358 -2.670 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.688 -0.250 -1.313 1.00 0.00 H new ATOM 0 HE1 MET B 81 26.323 0.242 -0.327 1.00 0.00 H new ATOM 0 HE2 MET B 81 24.703 0.968 -0.449 1.00 0.00 H new ATOM 0 HE3 MET B 81 24.947 -0.506 0.519 1.00 0.00 H new ATOM 664 N ALA B 82 21.880 -5.075 0.347 1.00 0.00 N ATOM 665 CA ALA B 82 21.903 -6.094 1.389 1.00 0.00 C ATOM 666 C ALA B 82 22.218 -7.468 0.807 1.00 0.00 C ATOM 667 O ALA B 82 22.939 -8.259 1.412 1.00 0.00 O ATOM 668 CB ALA B 82 20.573 -6.124 2.128 1.00 0.00 C ATOM 0 H ALA B 82 20.974 -4.624 0.218 1.00 0.00 H new ATOM 0 HA ALA B 82 22.693 -5.838 2.095 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.605 -6.890 2.903 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.389 -5.152 2.585 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.771 -6.352 1.425 1.00 0.00 H new ATOM 674 N GLY B 83 21.671 -7.745 -0.373 1.00 0.00 N ATOM 675 CA GLY B 83 21.904 -9.024 -1.017 1.00 0.00 C ATOM 676 C GLY B 83 23.306 -9.142 -1.582 1.00 0.00 C ATOM 677 O GLY B 83 24.045 -10.065 -1.241 1.00 0.00 O ATOM 0 H GLY B 83 21.071 -7.106 -0.894 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.737 -9.825 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.179 -9.160 -1.820 1.00 0.00 H new ATOM 681 N VAL B 84 23.674 -8.204 -2.449 1.00 0.00 N ATOM 682 CA VAL B 84 24.996 -8.207 -3.063 1.00 0.00 C ATOM 683 C VAL B 84 26.093 -8.238 -2.005 1.00 0.00 C ATOM 684 O VAL B 84 27.020 -9.045 -2.081 1.00 0.00 O ATOM 685 CB VAL B 84 25.200 -6.973 -3.962 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.614 -6.947 -4.522 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.173 -6.956 -5.085 1.00 0.00 C ATOM 0 H VAL B 84 23.075 -7.432 -2.742 1.00 0.00 H new ATOM 0 HA VAL B 84 25.059 -9.107 -3.674 1.00 0.00 H new ATOM 0 HB VAL B 84 25.058 -6.078 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.739 -6.068 -5.154 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.330 -6.908 -3.701 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.788 -7.847 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.332 -6.077 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.281 -7.856 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.170 -6.922 -4.660 1.00 0.00 H new ATOM 697 N ILE B 85 25.981 -7.354 -1.019 1.00 0.00 N ATOM 698 CA ILE B 85 26.963 -7.282 0.056 1.00 0.00 C ATOM 699 C ILE B 85 26.983 -8.571 0.871 1.00 0.00 C ATOM 700 O ILE B 85 28.043 -9.135 1.135 1.00 0.00 O ATOM 701 CB ILE B 85 26.681 -6.096 0.998 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.851 -4.772 0.251 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.601 -6.151 2.208 1.00 0.00 C ATOM 704 CD1 ILE B 85 28.273 -4.507 -0.192 1.00 0.00 C ATOM 0 H ILE B 85 25.221 -6.678 -0.942 1.00 0.00 H new ATOM 0 HA ILE B 85 27.936 -7.138 -0.415 1.00 0.00 H new ATOM 0 HB ILE B 85 25.651 -6.164 1.347 1.00 0.00 H new ATOM 0 HG12 ILE B 85 26.200 -4.771 -0.624 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.521 -3.956 0.894 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.390 -5.307 2.864 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.434 -7.082 2.750 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.639 -6.104 1.878 1.00 0.00 H new ATOM 0 HD11 ILE B 85 28.319 -3.552 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE B 85 28.926 -4.475 0.680 1.00 0.00 H new ATOM 0 HD13 ILE B 85 28.600 -5.303 -0.861 1.00 0.00 H new ATOM 716 N GLY B 86 25.800 -9.033 1.266 1.00 0.00 N ATOM 717 CA GLY B 86 25.703 -10.253 2.045 1.00 0.00 C ATOM 718 C GLY B 86 26.254 -11.457 1.308 1.00 0.00 C ATOM 719 O GLY B 86 26.856 -12.344 1.913 1.00 0.00 O ATOM 0 H GLY B 86 24.908 -8.584 1.060 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.244 -10.126 2.982 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.659 -10.434 2.302 1.00 0.00 H new ATOM 723 N THR B 87 26.047 -11.491 -0.005 1.00 0.00 N ATOM 724 CA THR B 87 26.525 -12.597 -0.826 1.00 0.00 C ATOM 725 C THR B 87 28.047 -12.603 -0.907 1.00 0.00 C ATOM 726 O THR B 87 28.693 -13.588 -0.549 1.00 0.00 O ATOM 727 CB THR B 87 25.946 -12.529 -2.252 1.00 0.00 C ATOM 728 OG1 THR B 87 24.515 -12.534 -2.200 1.00 0.00 O ATOM 729 CG2 THR B 87 26.432 -13.703 -3.089 1.00 0.00 C ATOM 0 H THR B 87 25.551 -10.765 -0.523 1.00 0.00 H new ATOM 0 HA THR B 87 26.186 -13.516 -0.348 1.00 0.00 H new ATOM 0 HB THR B 87 26.289 -11.605 -2.717 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.206 -11.807 -1.620 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.010 -13.634 -4.092 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.520 -13.680 -3.150 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.114 -14.637 -2.625 1.00 0.00 H new ATOM 737 N ILE B 88 28.614 -11.498 -1.380 1.00 0.00 N ATOM 738 CA ILE B 88 30.061 -11.377 -1.506 1.00 0.00 C ATOM 739 C ILE B 88 30.750 -11.588 -0.162 1.00 0.00 C ATOM 740 O ILE B 88 31.821 -12.191 -0.089 1.00 0.00 O ATOM 741 CB ILE B 88 30.463 -9.999 -2.065 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.799 -9.762 -3.423 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.977 -9.898 -2.185 1.00 0.00 C ATOM 744 CD1 ILE B 88 29.979 -8.353 -3.945 1.00 0.00 C ATOM 0 H ILE B 88 28.094 -10.674 -1.682 1.00 0.00 H new ATOM 0 HA ILE B 88 30.383 -12.152 -2.202 1.00 0.00 H new ATOM 0 HB ILE B 88 30.120 -9.229 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.211 -10.465 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.734 -9.977 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.246 -8.919 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.429 -10.028 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.341 -10.674 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.483 -8.257 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.542 -7.645 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.042 -8.141 -4.060 1.00 0.00 H new ATOM 756 N LEU B 89 30.127 -11.091 0.900 1.00 0.00 N ATOM 757 CA LEU B 89 30.679 -11.227 2.244 1.00 0.00 C ATOM 758 C LEU B 89 30.716 -12.690 2.672 1.00 0.00 C ATOM 759 O LEU B 89 31.759 -13.203 3.080 1.00 0.00 O ATOM 760 CB LEU B 89 29.851 -10.413 3.241 1.00 0.00 C ATOM 761 CG LEU B 89 30.232 -8.939 3.383 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.182 -8.193 4.193 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.603 -8.801 4.028 1.00 0.00 C ATOM 0 H LEU B 89 29.239 -10.590 0.857 1.00 0.00 H new ATOM 0 HA LEU B 89 31.700 -10.846 2.231 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.804 -10.470 2.945 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.932 -10.885 4.220 1.00 0.00 H new ATOM 0 HG LEU B 89 30.276 -8.497 2.387 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.469 -7.145 4.284 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.217 -8.262 3.690 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.106 -8.636 5.186 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.857 -7.745 4.121 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.587 -9.259 5.017 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.348 -9.300 3.409 1.00 0.00 H new ATOM 775 N LEU B 90 29.572 -13.359 2.574 1.00 0.00 N ATOM 776 CA LEU B 90 29.474 -14.765 2.949 1.00 0.00 C ATOM 777 C LEU B 90 30.502 -15.603 2.194 1.00 0.00 C ATOM 778 O LEU B 90 31.232 -16.394 2.792 1.00 0.00 O ATOM 779 CB LEU B 90 28.065 -15.291 2.668 1.00 0.00 C ATOM 780 CG LEU B 90 27.573 -16.414 3.582 1.00 0.00 C ATOM 781 CD1 LEU B 90 26.064 -16.339 3.754 1.00 0.00 C ATOM 782 CD2 LEU B 90 27.981 -17.771 3.027 1.00 0.00 C ATOM 0 H LEU B 90 28.700 -12.950 2.238 1.00 0.00 H new ATOM 0 HA LEU B 90 29.680 -14.846 4.016 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.366 -14.458 2.741 1.00 0.00 H new ATOM 0 HB3 LEU B 90 28.030 -15.646 1.638 1.00 0.00 H new ATOM 0 HG LEU B 90 28.037 -16.290 4.561 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.732 -17.146 4.407 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.795 -15.380 4.196 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.582 -16.438 2.782 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.622 -18.558 3.690 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.546 -17.905 2.037 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.067 -17.823 2.956 1.00 0.00 H new ATOM 794 N ILE B 91 30.554 -15.422 0.879 1.00 0.00 N ATOM 795 CA ILE B 91 31.495 -16.159 0.044 1.00 0.00 C ATOM 796 C ILE B 91 32.935 -15.791 0.383 1.00 0.00 C ATOM 797 O ILE B 91 33.744 -16.655 0.720 1.00 0.00 O ATOM 798 CB ILE B 91 31.247 -15.892 -1.453 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.822 -16.295 -1.836 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.262 -16.645 -2.300 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.492 -16.038 -3.290 1.00 0.00 C ATOM 0 H ILE B 91 29.956 -14.772 0.369 1.00 0.00 H new ATOM 0 HA ILE B 91 31.336 -17.218 0.247 1.00 0.00 H new ATOM 0 HB ILE B 91 31.366 -14.825 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.683 -17.355 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.117 -15.748 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.074 -16.447 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.268 -16.314 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.172 -17.715 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.466 -16.347 -3.490 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.599 -14.975 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.173 -16.606 -3.924 1.00 0.00 H new ATOM 813 N SER B 92 33.248 -14.502 0.293 1.00 0.00 N ATOM 814 CA SER B 92 34.592 -14.020 0.588 1.00 0.00 C ATOM 815 C SER B 92 35.029 -14.451 1.985 1.00 0.00 C ATOM 816 O SER B 92 36.222 -14.561 2.268 1.00 0.00 O ATOM 817 CB SER B 92 34.647 -12.495 0.472 1.00 0.00 C ATOM 818 OG SER B 92 35.970 -12.018 0.644 1.00 0.00 O ATOM 0 H SER B 92 32.589 -13.773 0.018 1.00 0.00 H new ATOM 0 HA SER B 92 35.276 -14.457 -0.139 1.00 0.00 H new ATOM 0 HB2 SER B 92 34.270 -12.188 -0.503 1.00 0.00 H new ATOM 0 HB3 SER B 92 33.995 -12.046 1.221 1.00 0.00 H new ATOM 0 HG SER B 92 35.979 -11.041 0.564 1.00 0.00 H new ATOM 824 N TYR B 93 34.055 -14.692 2.854 1.00 0.00 N ATOM 825 CA TYR B 93 34.337 -15.108 4.223 1.00 0.00 C ATOM 826 C TYR B 93 34.775 -16.569 4.269 1.00 0.00 C ATOM 827 O TYR B 93 35.802 -16.903 4.857 1.00 0.00 O ATOM 828 CB TYR B 93 33.104 -14.906 5.105 1.00 0.00 C ATOM 829 CG TYR B 93 33.350 -15.199 6.567 1.00 0.00 C ATOM 830 CD1 TYR B 93 34.435 -14.644 7.234 1.00 0.00 C ATOM 831 CD2 TYR B 93 32.499 -16.033 7.282 1.00 0.00 C ATOM 832 CE1 TYR B 93 34.665 -14.909 8.570 1.00 0.00 C ATOM 833 CE2 TYR B 93 32.720 -16.303 8.619 1.00 0.00 C ATOM 834 CZ TYR B 93 33.804 -15.739 9.258 1.00 0.00 C ATOM 835 OH TYR B 93 34.029 -16.007 10.589 1.00 0.00 O ATOM 0 H TYR B 93 33.062 -14.607 2.635 1.00 0.00 H new ATOM 0 HA TYR B 93 35.151 -14.491 4.602 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.759 -13.877 5.003 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.301 -15.549 4.745 1.00 0.00 H new ATOM 0 HD1 TYR B 93 35.111 -13.994 6.698 1.00 0.00 H new ATOM 0 HD2 TYR B 93 31.650 -16.478 6.784 1.00 0.00 H new ATOM 0 HE1 TYR B 93 35.514 -14.469 9.073 1.00 0.00 H new ATOM 0 HE2 TYR B 93 32.048 -16.952 9.160 1.00 0.00 H new ATOM 0 HH TYR B 93 33.331 -16.607 10.924 1.00 0.00 H new ATOM 845 N GLY B 94 33.986 -17.437 3.641 1.00 0.00 N ATOM 846 CA GLY B 94 34.307 -18.852 3.621 1.00 0.00 C ATOM 847 C GLY B 94 35.590 -19.144 2.868 1.00 0.00 C ATOM 848 O GLY B 94 36.351 -20.034 3.248 1.00 0.00 O ATOM 0 H GLY B 94 33.131 -17.185 3.146 1.00 0.00 H new ATOM 0 HA2 GLY B 94 34.399 -19.215 4.645 1.00 0.00 H new ATOM 0 HA3 GLY B 94 33.486 -19.401 3.161 1.00 0.00 H new ATOM 852 N ILE B 95 35.829 -18.395 1.797 1.00 0.00 N ATOM 853 CA ILE B 95 37.028 -18.579 0.989 1.00 0.00 C ATOM 854 C ILE B 95 38.254 -17.997 1.684 1.00 0.00 C ATOM 855 O ILE B 95 39.387 -18.377 1.387 1.00 0.00 O ATOM 856 CB ILE B 95 36.878 -17.925 -0.398 1.00 0.00 C ATOM 857 CG1 ILE B 95 37.809 -18.601 -1.407 1.00 0.00 C ATOM 858 CG2 ILE B 95 37.171 -16.435 -0.314 1.00 0.00 C ATOM 859 CD1 ILE B 95 37.804 -17.941 -2.768 1.00 0.00 C ATOM 0 H ILE B 95 35.208 -17.655 1.469 1.00 0.00 H new ATOM 0 HA ILE B 95 37.162 -19.653 0.862 1.00 0.00 H new ATOM 0 HB ILE B 95 35.850 -18.055 -0.737 1.00 0.00 H new ATOM 0 HG12 ILE B 95 38.825 -18.595 -1.013 1.00 0.00 H new ATOM 0 HG13 ILE B 95 37.516 -19.645 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE B 95 37.061 -15.986 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE B 95 36.472 -15.965 0.378 1.00 0.00 H new ATOM 0 HG23 ILE B 95 38.190 -16.284 0.042 1.00 0.00 H new ATOM 0 HD11 ILE B 95 38.486 -18.472 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE B 95 36.797 -17.971 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE B 95 38.126 -16.904 -2.671 1.00 0.00 H new ATOM 871 N ARG B 96 38.019 -17.074 2.611 1.00 0.00 N ATOM 872 CA ARG B 96 39.105 -16.439 3.349 1.00 0.00 C ATOM 873 C ARG B 96 39.837 -17.456 4.220 1.00 0.00 C ATOM 874 O ARG B 96 41.014 -17.284 4.535 1.00 0.00 O ATOM 875 CB ARG B 96 38.563 -15.303 4.217 1.00 0.00 C ATOM 876 CG ARG B 96 39.190 -13.952 3.913 1.00 0.00 C ATOM 877 CD ARG B 96 40.460 -13.733 4.720 1.00 0.00 C ATOM 878 NE ARG B 96 41.591 -14.476 4.172 1.00 0.00 N ATOM 879 CZ ARG B 96 42.832 -14.374 4.636 1.00 0.00 C ATOM 880 NH1 ARG B 96 43.099 -13.564 5.652 1.00 0.00 N ATOM 881 NH2 ARG B 96 43.808 -15.083 4.085 1.00 0.00 N ATOM 0 H ARG B 96 37.087 -16.749 2.869 1.00 0.00 H new ATOM 0 HA ARG B 96 39.812 -16.030 2.627 1.00 0.00 H new ATOM 0 HB2 ARG B 96 37.484 -15.233 4.077 1.00 0.00 H new ATOM 0 HB3 ARG B 96 38.733 -15.545 5.266 1.00 0.00 H new ATOM 0 HG2 ARG B 96 39.418 -13.887 2.849 1.00 0.00 H new ATOM 0 HG3 ARG B 96 38.475 -13.160 4.135 1.00 0.00 H new ATOM 0 HD2 ARG B 96 40.699 -12.670 4.738 1.00 0.00 H new ATOM 0 HD3 ARG B 96 40.291 -14.039 5.752 1.00 0.00 H new ATOM 0 HE ARG B 96 41.419 -15.108 3.390 1.00 0.00 H new ATOM 0 HH11 ARG B 96 42.351 -13.018 6.079 1.00 0.00 H new ATOM 0 HH12 ARG B 96 44.052 -13.488 6.006 1.00 0.00 H new ATOM 0 HH21 ARG B 96 43.606 -15.707 3.304 1.00 0.00 H new ATOM 0 HH22 ARG B 96 44.760 -15.004 4.442 1.00 0.00 H new ATOM 895 N ARG B 97 39.131 -18.513 4.607 1.00 0.00 N ATOM 896 CA ARG B 97 39.712 -19.556 5.444 1.00 0.00 C ATOM 897 C ARG B 97 39.138 -20.923 5.086 1.00 0.00 C ATOM 898 O ARG B 97 38.814 -21.722 5.966 1.00 0.00 O ATOM 899 CB ARG B 97 39.458 -19.254 6.922 1.00 0.00 C ATOM 900 CG ARG B 97 40.490 -19.867 7.854 1.00 0.00 C ATOM 901 CD ARG B 97 40.672 -19.030 9.111 1.00 0.00 C ATOM 902 NE ARG B 97 39.401 -18.767 9.782 1.00 0.00 N ATOM 903 CZ ARG B 97 39.306 -18.192 10.975 1.00 0.00 C ATOM 904 NH1 ARG B 97 40.400 -17.821 11.626 1.00 0.00 N ATOM 905 NH2 ARG B 97 38.113 -17.986 11.521 1.00 0.00 N ATOM 0 H ARG B 97 38.155 -18.670 4.354 1.00 0.00 H new ATOM 0 HA ARG B 97 40.787 -19.575 5.264 1.00 0.00 H new ATOM 0 HB2 ARG B 97 39.446 -18.174 7.067 1.00 0.00 H new ATOM 0 HB3 ARG B 97 38.469 -19.623 7.195 1.00 0.00 H new ATOM 0 HG2 ARG B 97 40.180 -20.875 8.129 1.00 0.00 H new ATOM 0 HG3 ARG B 97 41.444 -19.957 7.334 1.00 0.00 H new ATOM 0 HD2 ARG B 97 41.344 -19.547 9.796 1.00 0.00 H new ATOM 0 HD3 ARG B 97 41.147 -18.084 8.851 1.00 0.00 H new ATOM 0 HE ARG B 97 38.540 -19.040 9.308 1.00 0.00 H new ATOM 0 HH11 ARG B 97 41.318 -17.977 11.210 1.00 0.00 H new ATOM 0 HH12 ARG B 97 40.323 -17.380 12.542 1.00 0.00 H new ATOM 0 HH21 ARG B 97 37.269 -18.270 11.024 1.00 0.00 H new ATOM 0 HH22 ARG B 97 38.041 -17.544 12.438 1.00 0.00 H new ATOM 919 N LEU B 98 39.013 -21.186 3.790 1.00 0.00 N ATOM 920 CA LEU B 98 38.477 -22.457 3.315 1.00 0.00 C ATOM 921 C LEU B 98 37.226 -22.846 4.095 1.00 0.00 C ATOM 922 O LEU B 98 36.212 -23.228 3.512 1.00 0.00 O ATOM 923 CB LEU B 98 39.533 -23.558 3.441 1.00 0.00 C ATOM 924 CG LEU B 98 40.986 -23.118 3.259 1.00 0.00 C ATOM 925 CD1 LEU B 98 41.930 -24.287 3.492 1.00 0.00 C ATOM 926 CD2 LEU B 98 41.195 -22.530 1.871 1.00 0.00 C ATOM 0 H LEU B 98 39.276 -20.536 3.049 1.00 0.00 H new ATOM 0 HA LEU B 98 38.207 -22.339 2.266 1.00 0.00 H new ATOM 0 HB2 LEU B 98 39.434 -24.018 4.424 1.00 0.00 H new ATOM 0 HB3 LEU B 98 39.313 -24.331 2.704 1.00 0.00 H new ATOM 0 HG LEU B 98 41.207 -22.346 3.996 1.00 0.00 H new ATOM 0 HD11 LEU B 98 42.960 -23.955 3.358 1.00 0.00 H new ATOM 0 HD12 LEU B 98 41.799 -24.664 4.506 1.00 0.00 H new ATOM 0 HD13 LEU B 98 41.709 -25.081 2.779 1.00 0.00 H new ATOM 0 HD21 LEU B 98 42.235 -22.222 1.759 1.00 0.00 H new ATOM 0 HD22 LEU B 98 40.956 -23.281 1.118 1.00 0.00 H new ATOM 0 HD23 LEU B 98 40.545 -21.665 1.740 1.00 0.00 H new TER 938 LEU B 98