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= 0.00743 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 72:sc= 0.19 USER MOD Single : A 92 SER OG : rot 86:sc= 0.997 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 57:sc= -0.653! 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 10.632 -2.919 5.996 1.00 0.00 N ATOM 2 CA GLU A 70 10.952 -3.302 4.626 1.00 0.00 C ATOM 3 C GLU A 70 9.681 -3.536 3.815 1.00 0.00 C ATOM 4 O GLU A 70 9.316 -4.668 3.499 1.00 0.00 O ATOM 5 CB GLU A 70 11.817 -4.565 4.615 1.00 0.00 C ATOM 6 CG GLU A 70 13.073 -4.449 5.461 1.00 0.00 C ATOM 7 CD GLU A 70 13.786 -3.125 5.271 1.00 0.00 C ATOM 8 OE1 GLU A 70 13.821 -2.629 4.125 1.00 0.00 O ATOM 9 OE2 GLU A 70 14.308 -2.584 6.268 1.00 0.00 O ATOM 0 HA GLU A 70 11.509 -2.484 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.223 -5.405 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.101 -4.792 3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.810 -4.568 6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.753 -5.263 5.208 1.00 0.00 H new ATOM 16 N PRO A 71 8.990 -2.440 3.470 1.00 0.00 N ATOM 17 CA PRO A 71 7.749 -2.498 2.692 1.00 0.00 C ATOM 18 C PRO A 71 7.990 -2.920 1.247 1.00 0.00 C ATOM 19 O PRO A 71 9.130 -3.137 0.837 1.00 0.00 O ATOM 20 CB PRO A 71 7.225 -1.061 2.750 1.00 0.00 C ATOM 21 CG PRO A 71 8.438 -0.225 2.973 1.00 0.00 C ATOM 22 CD PRO A 71 9.366 -1.058 3.813 1.00 0.00 C ATOM 0 HA PRO A 71 7.053 -3.236 3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.719 -0.786 1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.503 -0.935 3.557 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.905 0.045 2.026 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.183 0.706 3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.411 -0.856 3.578 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.234 -0.858 4.876 1.00 0.00 H new ATOM 30 N GLU A 72 6.910 -3.033 0.480 1.00 0.00 N ATOM 31 CA GLU A 72 7.006 -3.430 -0.920 1.00 0.00 C ATOM 32 C GLU A 72 7.814 -4.716 -1.067 1.00 0.00 C ATOM 33 O GLU A 72 8.949 -4.697 -1.544 1.00 0.00 O ATOM 34 CB GLU A 72 7.650 -2.314 -1.746 1.00 0.00 C ATOM 35 CG GLU A 72 7.224 -2.314 -3.205 1.00 0.00 C ATOM 36 CD GLU A 72 5.718 -2.273 -3.373 1.00 0.00 C ATOM 37 OE1 GLU A 72 5.033 -1.750 -2.470 1.00 0.00 O ATOM 38 OE2 GLU A 72 5.224 -2.766 -4.409 1.00 0.00 O ATOM 0 H GLU A 72 5.959 -2.855 0.804 1.00 0.00 H new ATOM 0 HA GLU A 72 5.997 -3.611 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.396 -1.352 -1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.734 -2.413 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.665 -1.454 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.616 -3.206 -3.694 1.00 0.00 H new ATOM 45 N ILE A 73 7.221 -5.831 -0.653 1.00 0.00 N ATOM 46 CA ILE A 73 7.884 -7.126 -0.739 1.00 0.00 C ATOM 47 C ILE A 73 8.349 -7.412 -2.163 1.00 0.00 C ATOM 48 O ILE A 73 9.276 -8.193 -2.381 1.00 0.00 O ATOM 49 CB ILE A 73 6.957 -8.265 -0.276 1.00 0.00 C ATOM 50 CG1 ILE A 73 6.452 -7.995 1.143 1.00 0.00 C ATOM 51 CG2 ILE A 73 7.685 -9.599 -0.340 1.00 0.00 C ATOM 52 CD1 ILE A 73 7.560 -7.844 2.161 1.00 0.00 C ATOM 0 H ILE A 73 6.283 -5.863 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 73 8.750 -7.081 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 73 6.098 -8.310 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.848 -7.088 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.798 -8.812 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.017 -10.394 -0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.000 -9.793 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.560 -9.567 0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.128 -7.655 3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.151 -8.760 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.201 -7.009 1.880 1.00 0.00 H new ATOM 64 N THR A 74 7.701 -6.772 -3.132 1.00 0.00 N ATOM 65 CA THR A 74 8.048 -6.956 -4.535 1.00 0.00 C ATOM 66 C THR A 74 9.402 -6.332 -4.853 1.00 0.00 C ATOM 67 O THR A 74 10.237 -6.942 -5.521 1.00 0.00 O ATOM 68 CB THR A 74 6.982 -6.343 -5.463 1.00 0.00 C ATOM 69 OG1 THR A 74 5.684 -6.479 -4.874 1.00 0.00 O ATOM 70 CG2 THR A 74 7.000 -7.017 -6.826 1.00 0.00 C ATOM 0 H THR A 74 6.932 -6.121 -2.970 1.00 0.00 H new ATOM 0 HA THR A 74 8.096 -8.031 -4.710 1.00 0.00 H new ATOM 0 HB THR A 74 7.211 -5.286 -5.596 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.012 -6.085 -5.469 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.239 -6.568 -7.464 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.981 -6.886 -7.284 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.793 -8.081 -6.709 1.00 0.00 H new ATOM 78 N LEU A 75 9.614 -5.112 -4.370 1.00 0.00 N ATOM 79 CA LEU A 75 10.868 -4.404 -4.603 1.00 0.00 C ATOM 80 C LEU A 75 12.004 -5.031 -3.800 1.00 0.00 C ATOM 81 O LEU A 75 13.131 -5.142 -4.283 1.00 0.00 O ATOM 82 CB LEU A 75 10.720 -2.928 -4.231 1.00 0.00 C ATOM 83 CG LEU A 75 9.934 -2.064 -5.218 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.872 -0.623 -4.734 1.00 0.00 C ATOM 85 CD2 LEU A 75 10.557 -2.136 -6.604 1.00 0.00 C ATOM 0 H LEU A 75 8.934 -4.593 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 75 11.110 -4.483 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.234 -2.866 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.716 -2.501 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 75 8.916 -2.450 -5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.309 -0.023 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.380 -0.586 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.883 -0.226 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.984 -1.515 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.585 -1.776 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.549 -3.168 -6.953 1.00 0.00 H new ATOM 97 N ILE A 76 11.698 -5.441 -2.573 1.00 0.00 N ATOM 98 CA ILE A 76 12.692 -6.059 -1.705 1.00 0.00 C ATOM 99 C ILE A 76 13.155 -7.399 -2.266 1.00 0.00 C ATOM 100 O ILE A 76 14.354 -7.668 -2.351 1.00 0.00 O ATOM 101 CB ILE A 76 12.142 -6.273 -0.283 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.636 -4.951 0.297 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.214 -6.875 0.614 1.00 0.00 C ATOM 104 CD1 ILE A 76 12.729 -3.926 0.509 1.00 0.00 C ATOM 0 H ILE A 76 10.770 -5.356 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 76 13.539 -5.375 -1.659 1.00 0.00 H new ATOM 0 HB ILE A 76 11.305 -6.969 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 76 10.883 -4.534 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.143 -5.146 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.810 -7.020 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.531 -7.835 0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.069 -6.201 0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.298 -3.014 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 76 13.471 -4.323 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 76 13.207 -3.701 -0.444 1.00 0.00 H new ATOM 116 N ILE A 77 12.197 -8.236 -2.650 1.00 0.00 N ATOM 117 CA ILE A 77 12.506 -9.547 -3.207 1.00 0.00 C ATOM 118 C ILE A 77 13.232 -9.420 -4.542 1.00 0.00 C ATOM 119 O ILE A 77 14.317 -9.971 -4.725 1.00 0.00 O ATOM 120 CB ILE A 77 11.232 -10.389 -3.406 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.906 -11.170 -2.131 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.401 -11.335 -4.585 1.00 0.00 C ATOM 123 CD1 ILE A 77 11.034 -10.347 -0.868 1.00 0.00 C ATOM 0 H ILE A 77 11.200 -8.029 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 77 13.155 -10.049 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 77 10.400 -9.718 -3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.889 -11.557 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 77 11.570 -12.031 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.492 -11.923 -4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.590 -10.758 -5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.242 -12.003 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.788 -10.965 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 77 12.057 -9.982 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.350 -9.500 -0.915 1.00 0.00 H new ATOM 135 N PHE A 78 12.625 -8.690 -5.472 1.00 0.00 N ATOM 136 CA PHE A 78 13.214 -8.490 -6.791 1.00 0.00 C ATOM 137 C PHE A 78 14.565 -7.789 -6.683 1.00 0.00 C ATOM 138 O PHE A 78 15.456 -8.005 -7.502 1.00 0.00 O ATOM 139 CB PHE A 78 12.271 -7.670 -7.674 1.00 0.00 C ATOM 140 CG PHE A 78 12.891 -7.237 -8.972 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.590 -6.044 -9.057 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.774 -8.023 -10.107 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.161 -5.643 -10.250 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.343 -7.627 -11.303 1.00 0.00 C ATOM 145 CZ PHE A 78 14.038 -6.436 -11.374 1.00 0.00 C ATOM 0 H PHE A 78 11.726 -8.227 -5.337 1.00 0.00 H new ATOM 0 HA PHE A 78 13.368 -9.469 -7.245 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.379 -8.260 -7.885 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.946 -6.787 -7.123 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.690 -5.420 -8.181 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.232 -8.956 -10.057 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.703 -4.710 -10.303 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.244 -8.248 -12.181 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.485 -6.125 -12.307 1.00 0.00 H new ATOM 155 N GLY A 79 14.708 -6.946 -5.664 1.00 0.00 N ATOM 156 CA GLY A 79 15.952 -6.225 -5.467 1.00 0.00 C ATOM 157 C GLY A 79 17.085 -7.132 -5.029 1.00 0.00 C ATOM 158 O GLY A 79 18.073 -7.294 -5.746 1.00 0.00 O ATOM 0 H GLY A 79 13.985 -6.750 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.229 -5.725 -6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.803 -5.447 -4.718 1.00 0.00 H new ATOM 162 N VAL A 80 16.944 -7.725 -3.848 1.00 0.00 N ATOM 163 CA VAL A 80 17.963 -8.620 -3.315 1.00 0.00 C ATOM 164 C VAL A 80 18.242 -9.770 -4.276 1.00 0.00 C ATOM 165 O VAL A 80 19.378 -10.226 -4.402 1.00 0.00 O ATOM 166 CB VAL A 80 17.546 -9.197 -1.949 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.602 -10.161 -1.431 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.300 -8.076 -0.951 1.00 0.00 C ATOM 0 H VAL A 80 16.133 -7.601 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 80 18.869 -8.027 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 80 16.616 -9.750 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.290 -10.558 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.724 -10.981 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.550 -9.635 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.006 -8.501 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.213 -7.494 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.504 -7.429 -1.320 1.00 0.00 H new ATOM 178 N MET A 81 17.196 -10.235 -4.953 1.00 0.00 N ATOM 179 CA MET A 81 17.329 -11.332 -5.905 1.00 0.00 C ATOM 180 C MET A 81 18.189 -10.918 -7.094 1.00 0.00 C ATOM 181 O MET A 81 19.099 -11.643 -7.496 1.00 0.00 O ATOM 182 CB MET A 81 15.950 -11.783 -6.390 1.00 0.00 C ATOM 183 CG MET A 81 15.217 -12.671 -5.398 1.00 0.00 C ATOM 184 SD MET A 81 15.750 -14.391 -5.479 1.00 0.00 S ATOM 185 CE MET A 81 15.710 -14.841 -3.746 1.00 0.00 C ATOM 0 H MET A 81 16.248 -9.869 -4.860 1.00 0.00 H new ATOM 0 HA MET A 81 17.818 -12.164 -5.398 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.341 -10.903 -6.596 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.063 -12.320 -7.332 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.378 -12.292 -4.389 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.146 -12.617 -5.591 1.00 0.00 H new ATOM 0 HE1 MET A 81 16.016 -15.881 -3.633 1.00 0.00 H new ATOM 0 HE2 MET A 81 16.392 -14.200 -3.188 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.698 -14.717 -3.361 1.00 0.00 H new ATOM 195 N ALA A 82 17.895 -9.748 -7.653 1.00 0.00 N ATOM 196 CA ALA A 82 18.643 -9.238 -8.796 1.00 0.00 C ATOM 197 C ALA A 82 20.110 -9.020 -8.438 1.00 0.00 C ATOM 198 O ALA A 82 21.001 -9.292 -9.241 1.00 0.00 O ATOM 199 CB ALA A 82 18.022 -7.943 -9.298 1.00 0.00 C ATOM 0 H ALA A 82 17.144 -9.136 -7.333 1.00 0.00 H new ATOM 0 HA ALA A 82 18.596 -9.982 -9.591 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.591 -7.574 -10.151 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.991 -8.127 -9.601 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.038 -7.199 -8.502 1.00 0.00 H new ATOM 205 N GLY A 83 20.352 -8.525 -7.228 1.00 0.00 N ATOM 206 CA GLY A 83 21.712 -8.278 -6.786 1.00 0.00 C ATOM 207 C GLY A 83 22.462 -9.557 -6.474 1.00 0.00 C ATOM 208 O GLY A 83 23.526 -9.815 -7.036 1.00 0.00 O ATOM 0 H GLY A 83 19.631 -8.291 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.247 -7.726 -7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.693 -7.646 -5.898 1.00 0.00 H new ATOM 212 N VAL A 84 21.907 -10.362 -5.572 1.00 0.00 N ATOM 213 CA VAL A 84 22.531 -11.621 -5.185 1.00 0.00 C ATOM 214 C VAL A 84 22.801 -12.498 -6.402 1.00 0.00 C ATOM 215 O VAL A 84 23.907 -13.009 -6.578 1.00 0.00 O ATOM 216 CB VAL A 84 21.650 -12.401 -4.190 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.266 -13.756 -3.880 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.445 -11.595 -2.916 1.00 0.00 C ATOM 0 H VAL A 84 21.027 -10.164 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 84 23.477 -11.371 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 84 20.675 -12.569 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.630 -14.292 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.356 -14.334 -4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.254 -13.615 -3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.821 -12.160 -2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.411 -11.395 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.956 -10.651 -3.157 1.00 0.00 H new ATOM 228 N ILE A 85 21.784 -12.667 -7.241 1.00 0.00 N ATOM 229 CA ILE A 85 21.913 -13.480 -8.443 1.00 0.00 C ATOM 230 C ILE A 85 22.953 -12.897 -9.393 1.00 0.00 C ATOM 231 O ILE A 85 23.843 -13.604 -9.865 1.00 0.00 O ATOM 232 CB ILE A 85 20.569 -13.604 -9.185 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.558 -14.372 -8.331 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.767 -14.292 -10.528 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.935 -15.819 -8.104 1.00 0.00 C ATOM 0 H ILE A 85 20.862 -12.251 -7.110 1.00 0.00 H new ATOM 0 HA ILE A 85 22.234 -14.470 -8.121 1.00 0.00 H new ATOM 0 HB ILE A 85 20.177 -12.603 -9.365 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.458 -13.875 -7.366 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.581 -14.331 -8.813 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.808 -14.372 -11.040 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.457 -13.708 -11.138 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.178 -15.289 -10.369 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.174 -16.301 -7.491 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.007 -16.331 -9.064 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.897 -15.869 -7.594 1.00 0.00 H new ATOM 247 N GLY A 86 22.837 -11.601 -9.667 1.00 0.00 N ATOM 248 CA GLY A 86 23.775 -10.944 -10.557 1.00 0.00 C ATOM 249 C GLY A 86 25.204 -11.025 -10.057 1.00 0.00 C ATOM 250 O GLY A 86 26.142 -11.137 -10.847 1.00 0.00 O ATOM 0 H GLY A 86 22.110 -10.995 -9.288 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.713 -11.399 -11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.492 -9.898 -10.670 1.00 0.00 H new ATOM 254 N THR A 87 25.372 -10.968 -8.739 1.00 0.00 N ATOM 255 CA THR A 87 26.696 -11.033 -8.134 1.00 0.00 C ATOM 256 C THR A 87 27.313 -12.416 -8.308 1.00 0.00 C ATOM 257 O THR A 87 28.379 -12.559 -8.906 1.00 0.00 O ATOM 258 CB THR A 87 26.645 -10.690 -6.633 1.00 0.00 C ATOM 259 OG1 THR A 87 26.119 -9.371 -6.449 1.00 0.00 O ATOM 260 CG2 THR A 87 28.030 -10.782 -6.010 1.00 0.00 C ATOM 0 H THR A 87 24.607 -10.877 -8.071 1.00 0.00 H new ATOM 0 HA THR A 87 27.314 -10.296 -8.646 1.00 0.00 H new ATOM 0 HB THR A 87 25.994 -11.411 -6.140 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.160 -9.370 -6.649 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.969 -10.536 -4.950 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.414 -11.795 -6.126 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.700 -10.081 -6.508 1.00 0.00 H new ATOM 268 N ILE A 88 26.636 -13.431 -7.781 1.00 0.00 N ATOM 269 CA ILE A 88 27.117 -14.803 -7.880 1.00 0.00 C ATOM 270 C ILE A 88 27.363 -15.195 -9.333 1.00 0.00 C ATOM 271 O ILE A 88 28.321 -15.905 -9.642 1.00 0.00 O ATOM 272 CB ILE A 88 26.121 -15.796 -7.254 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.853 -15.430 -5.792 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.651 -17.218 -7.361 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.784 -16.280 -5.143 1.00 0.00 C ATOM 0 H ILE A 88 25.753 -13.329 -7.281 1.00 0.00 H new ATOM 0 HA ILE A 88 28.056 -14.848 -7.329 1.00 0.00 H new ATOM 0 HB ILE A 88 25.181 -15.738 -7.802 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.779 -15.530 -5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.556 -14.383 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.935 -17.908 -6.914 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.795 -17.475 -8.411 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.603 -17.292 -6.835 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.647 -15.965 -4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.846 -16.162 -5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 88 25.087 -17.327 -5.166 1.00 0.00 H new ATOM 287 N LEU A 89 26.494 -14.728 -10.222 1.00 0.00 N ATOM 288 CA LEU A 89 26.617 -15.028 -11.644 1.00 0.00 C ATOM 289 C LEU A 89 27.885 -14.409 -12.223 1.00 0.00 C ATOM 290 O LEU A 89 28.714 -15.103 -12.814 1.00 0.00 O ATOM 291 CB LEU A 89 25.393 -14.513 -12.403 1.00 0.00 C ATOM 292 CG LEU A 89 24.209 -15.477 -12.499 1.00 0.00 C ATOM 293 CD1 LEU A 89 22.974 -14.755 -13.016 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.554 -16.657 -13.395 1.00 0.00 C ATOM 0 H LEU A 89 25.696 -14.140 -9.983 1.00 0.00 H new ATOM 0 HA LEU A 89 26.678 -16.110 -11.757 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.051 -13.596 -11.923 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.702 -14.247 -13.414 1.00 0.00 H new ATOM 0 HG LEU A 89 23.991 -15.856 -11.501 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.142 -15.456 -13.078 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.715 -13.944 -12.335 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.179 -14.347 -14.006 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.700 -17.332 -13.452 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.798 -16.296 -14.394 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.411 -17.189 -12.982 1.00 0.00 H new ATOM 306 N LEU A 90 28.031 -13.100 -12.049 1.00 0.00 N ATOM 307 CA LEU A 90 29.200 -12.387 -12.552 1.00 0.00 C ATOM 308 C LEU A 90 30.489 -13.037 -12.059 1.00 0.00 C ATOM 309 O LEU A 90 31.402 -13.301 -12.842 1.00 0.00 O ATOM 310 CB LEU A 90 29.155 -10.921 -12.116 1.00 0.00 C ATOM 311 CG LEU A 90 29.816 -9.919 -13.062 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.302 -8.513 -12.794 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.330 -9.970 -12.920 1.00 0.00 C ATOM 0 H LEU A 90 27.355 -12.511 -11.563 1.00 0.00 H new ATOM 0 HA LEU A 90 29.184 -12.436 -13.641 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.112 -10.633 -11.986 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.633 -10.838 -11.140 1.00 0.00 H new ATOM 0 HG LEU A 90 29.557 -10.190 -14.086 1.00 0.00 H new ATOM 0 HD11 LEU A 90 29.784 -7.813 -13.477 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.223 -8.485 -12.947 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.530 -8.232 -11.766 1.00 0.00 H new ATOM 0 HD21 LEU A 90 31.784 -9.250 -13.601 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.608 -9.725 -11.895 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.685 -10.972 -13.162 1.00 0.00 H new ATOM 325 N ILE A 91 30.555 -13.293 -10.757 1.00 0.00 N ATOM 326 CA ILE A 91 31.730 -13.915 -10.160 1.00 0.00 C ATOM 327 C ILE A 91 31.927 -15.334 -10.683 1.00 0.00 C ATOM 328 O ILE A 91 32.987 -15.669 -11.213 1.00 0.00 O ATOM 329 CB ILE A 91 31.626 -13.957 -8.624 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.468 -12.542 -8.063 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.852 -14.634 -8.028 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.324 -12.501 -6.558 1.00 0.00 C ATOM 0 H ILE A 91 29.809 -13.079 -10.095 1.00 0.00 H new ATOM 0 HA ILE A 91 32.587 -13.304 -10.442 1.00 0.00 H new ATOM 0 HB ILE A 91 30.745 -14.537 -8.350 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.333 -11.946 -8.353 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.593 -12.076 -8.516 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.764 -14.656 -6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.925 -15.653 -8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.747 -14.078 -8.308 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.216 -11.467 -6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.442 -13.069 -6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.209 -12.937 -6.096 1.00 0.00 H new ATOM 344 N SER A 92 30.899 -16.162 -10.533 1.00 0.00 N ATOM 345 CA SER A 92 30.959 -17.546 -10.989 1.00 0.00 C ATOM 346 C SER A 92 31.356 -17.616 -12.461 1.00 0.00 C ATOM 347 O SER A 92 31.918 -18.613 -12.917 1.00 0.00 O ATOM 348 CB SER A 92 29.608 -18.233 -10.781 1.00 0.00 C ATOM 349 OG SER A 92 29.319 -18.380 -9.401 1.00 0.00 O ATOM 0 H SER A 92 30.014 -15.899 -10.099 1.00 0.00 H new ATOM 0 HA SER A 92 31.716 -18.064 -10.401 1.00 0.00 H new ATOM 0 HB2 SER A 92 28.822 -17.650 -11.261 1.00 0.00 H new ATOM 0 HB3 SER A 92 29.616 -19.212 -11.261 1.00 0.00 H new ATOM 0 HG SER A 92 28.887 -17.565 -9.069 1.00 0.00 H new ATOM 355 N TYR A 93 31.061 -16.552 -13.198 1.00 0.00 N ATOM 356 CA TYR A 93 31.384 -16.492 -14.618 1.00 0.00 C ATOM 357 C TYR A 93 32.894 -16.511 -14.835 1.00 0.00 C ATOM 358 O TYR A 93 33.391 -17.139 -15.769 1.00 0.00 O ATOM 359 CB TYR A 93 30.783 -15.234 -15.247 1.00 0.00 C ATOM 360 CG TYR A 93 30.640 -15.318 -16.750 1.00 0.00 C ATOM 361 CD1 TYR A 93 29.531 -15.921 -17.330 1.00 0.00 C ATOM 362 CD2 TYR A 93 31.614 -14.792 -17.591 1.00 0.00 C ATOM 363 CE1 TYR A 93 29.397 -16.000 -18.703 1.00 0.00 C ATOM 364 CE2 TYR A 93 31.487 -14.865 -18.964 1.00 0.00 C ATOM 365 CZ TYR A 93 30.377 -15.471 -19.516 1.00 0.00 C ATOM 366 OH TYR A 93 30.247 -15.546 -20.883 1.00 0.00 O ATOM 0 H TYR A 93 30.598 -15.718 -12.835 1.00 0.00 H new ATOM 0 HA TYR A 93 30.955 -17.371 -15.099 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.803 -15.051 -14.807 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.410 -14.378 -14.997 1.00 0.00 H new ATOM 0 HD1 TYR A 93 28.760 -16.335 -16.697 1.00 0.00 H new ATOM 0 HD2 TYR A 93 32.485 -14.318 -17.163 1.00 0.00 H new ATOM 0 HE1 TYR A 93 28.529 -16.474 -19.137 1.00 0.00 H new ATOM 0 HE2 TYR A 93 32.253 -14.450 -19.603 1.00 0.00 H new ATOM 0 HH TYR A 93 31.023 -15.125 -21.309 1.00 0.00 H new ATOM 376 N GLY A 94 33.619 -15.817 -13.962 1.00 0.00 N ATOM 377 CA GLY A 94 35.065 -15.766 -14.074 1.00 0.00 C ATOM 378 C GLY A 94 35.760 -16.484 -12.933 1.00 0.00 C ATOM 379 O GLY A 94 36.733 -15.978 -12.374 1.00 0.00 O ATOM 0 H GLY A 94 33.231 -15.290 -13.180 1.00 0.00 H new ATOM 0 HA2 GLY A 94 35.369 -16.214 -15.020 1.00 0.00 H new ATOM 0 HA3 GLY A 94 35.388 -14.725 -14.095 1.00 0.00 H new ATOM 383 N ILE A 95 35.258 -17.665 -12.586 1.00 0.00 N ATOM 384 CA ILE A 95 35.837 -18.452 -11.505 1.00 0.00 C ATOM 385 C ILE A 95 35.504 -19.932 -11.663 1.00 0.00 C ATOM 386 O ILE A 95 36.347 -20.797 -11.428 1.00 0.00 O ATOM 387 CB ILE A 95 35.341 -17.970 -10.129 1.00 0.00 C ATOM 388 CG1 ILE A 95 35.998 -16.638 -9.764 1.00 0.00 C ATOM 389 CG2 ILE A 95 35.628 -19.018 -9.065 1.00 0.00 C ATOM 390 CD1 ILE A 95 35.675 -16.168 -8.363 1.00 0.00 C ATOM 0 H ILE A 95 34.452 -18.097 -13.038 1.00 0.00 H new ATOM 0 HA ILE A 95 36.917 -18.317 -11.560 1.00 0.00 H new ATOM 0 HB ILE A 95 34.263 -17.820 -10.180 1.00 0.00 H new ATOM 0 HG12 ILE A 95 37.079 -16.736 -9.865 1.00 0.00 H new ATOM 0 HG13 ILE A 95 35.678 -15.877 -10.476 1.00 0.00 H new ATOM 0 HG21 ILE A 95 35.271 -18.662 -8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 95 35.117 -19.946 -9.321 1.00 0.00 H new ATOM 0 HG23 ILE A 95 36.702 -19.198 -9.012 1.00 0.00 H new ATOM 0 HD11 ILE A 95 36.175 -15.218 -8.174 1.00 0.00 H new ATOM 0 HD12 ILE A 95 34.598 -16.038 -8.262 1.00 0.00 H new ATOM 0 HD13 ILE A 95 36.020 -16.909 -7.642 1.00 0.00 H new ATOM 402 N ARG A 96 34.269 -20.215 -12.065 1.00 0.00 N ATOM 403 CA ARG A 96 33.824 -21.590 -12.255 1.00 0.00 C ATOM 404 C ARG A 96 34.600 -22.261 -13.385 1.00 0.00 C ATOM 405 O ARG A 96 34.784 -23.478 -13.387 1.00 0.00 O ATOM 406 CB ARG A 96 32.325 -21.626 -12.561 1.00 0.00 C ATOM 407 CG ARG A 96 31.991 -21.306 -14.009 1.00 0.00 C ATOM 408 CD ARG A 96 30.516 -20.980 -14.181 1.00 0.00 C ATOM 409 NE ARG A 96 30.283 -20.069 -15.298 1.00 0.00 N ATOM 410 CZ ARG A 96 30.357 -20.436 -16.573 1.00 0.00 C ATOM 411 NH1 ARG A 96 30.655 -21.689 -16.889 1.00 0.00 N ATOM 412 NH2 ARG A 96 30.132 -19.550 -17.534 1.00 0.00 N ATOM 0 H ARG A 96 33.559 -19.510 -12.265 1.00 0.00 H new ATOM 0 HA ARG A 96 34.013 -22.137 -11.332 1.00 0.00 H new ATOM 0 HB2 ARG A 96 31.937 -22.615 -12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 96 31.813 -20.914 -11.913 1.00 0.00 H new ATOM 0 HG2 ARG A 96 32.593 -20.461 -14.344 1.00 0.00 H new ATOM 0 HG3 ARG A 96 32.253 -22.155 -14.640 1.00 0.00 H new ATOM 0 HD2 ARG A 96 29.958 -21.902 -14.343 1.00 0.00 H new ATOM 0 HD3 ARG A 96 30.134 -20.533 -13.263 1.00 0.00 H new ATOM 0 HE ARG A 96 30.051 -19.098 -15.088 1.00 0.00 H new ATOM 0 HH11 ARG A 96 30.828 -22.373 -16.153 1.00 0.00 H new ATOM 0 HH12 ARG A 96 30.711 -21.968 -17.868 1.00 0.00 H new ATOM 0 HH21 ARG A 96 29.902 -18.586 -17.295 1.00 0.00 H new ATOM 0 HH22 ARG A 96 30.189 -19.833 -18.512 1.00 0.00 H new ATOM 426 N ARG A 97 35.053 -21.459 -14.343 1.00 0.00 N ATOM 427 CA ARG A 97 35.807 -21.975 -15.478 1.00 0.00 C ATOM 428 C ARG A 97 36.783 -20.926 -16.005 1.00 0.00 C ATOM 429 O ARG A 97 37.024 -20.837 -17.209 1.00 0.00 O ATOM 430 CB ARG A 97 34.856 -22.409 -16.596 1.00 0.00 C ATOM 431 CG ARG A 97 35.395 -23.548 -17.446 1.00 0.00 C ATOM 432 CD ARG A 97 34.270 -24.397 -18.017 1.00 0.00 C ATOM 433 NE ARG A 97 33.370 -23.616 -18.861 1.00 0.00 N ATOM 434 CZ ARG A 97 32.384 -24.150 -19.575 1.00 0.00 C ATOM 435 NH1 ARG A 97 32.174 -25.458 -19.546 1.00 0.00 N ATOM 436 NH2 ARG A 97 31.607 -23.374 -20.320 1.00 0.00 N ATOM 0 H ARG A 97 34.911 -20.449 -14.355 1.00 0.00 H new ATOM 0 HA ARG A 97 36.377 -22.840 -15.139 1.00 0.00 H new ATOM 0 HB2 ARG A 97 33.906 -22.713 -16.156 1.00 0.00 H new ATOM 0 HB3 ARG A 97 34.650 -21.553 -17.239 1.00 0.00 H new ATOM 0 HG2 ARG A 97 35.996 -23.143 -18.260 1.00 0.00 H new ATOM 0 HG3 ARG A 97 36.054 -24.173 -16.843 1.00 0.00 H new ATOM 0 HD2 ARG A 97 34.693 -25.216 -18.599 1.00 0.00 H new ATOM 0 HD3 ARG A 97 33.704 -24.845 -17.201 1.00 0.00 H new ATOM 0 HE ARG A 97 33.505 -22.606 -18.905 1.00 0.00 H new ATOM 0 HH11 ARG A 97 32.770 -26.058 -18.975 1.00 0.00 H new ATOM 0 HH12 ARG A 97 31.417 -25.865 -20.095 1.00 0.00 H new ATOM 0 HH21 ARG A 97 31.766 -22.367 -20.345 1.00 0.00 H new ATOM 0 HH22 ARG A 97 30.851 -23.785 -20.867 1.00 0.00 H new ATOM 450 N LEU A 98 37.340 -20.135 -15.095 1.00 0.00 N ATOM 451 CA LEU A 98 38.289 -19.091 -15.467 1.00 0.00 C ATOM 452 C LEU A 98 37.783 -18.297 -16.666 1.00 0.00 C ATOM 453 O LEU A 98 38.173 -17.142 -16.832 1.00 0.00 O ATOM 454 CB LEU A 98 39.653 -19.706 -15.787 1.00 0.00 C ATOM 455 CG LEU A 98 40.391 -20.351 -14.614 1.00 0.00 C ATOM 456 CD1 LEU A 98 40.050 -21.830 -14.517 1.00 0.00 C ATOM 457 CD2 LEU A 98 41.893 -20.157 -14.757 1.00 0.00 C ATOM 0 H LEU A 98 37.151 -20.196 -14.094 1.00 0.00 H new ATOM 0 HA LEU A 98 38.393 -18.410 -14.622 1.00 0.00 H new ATOM 0 HB2 LEU A 98 39.516 -20.460 -16.563 1.00 0.00 H new ATOM 0 HB3 LEU A 98 40.290 -18.928 -16.207 1.00 0.00 H new ATOM 0 HG LEU A 98 40.068 -19.863 -13.694 1.00 0.00 H new ATOM 0 HD11 LEU A 98 40.585 -22.272 -13.676 1.00 0.00 H new ATOM 0 HD12 LEU A 98 38.977 -21.947 -14.367 1.00 0.00 H new ATOM 0 HD13 LEU A 98 40.344 -22.332 -15.439 1.00 0.00 H new ATOM 0 HD21 LEU A 98 42.402 -20.623 -13.913 1.00 0.00 H new ATOM 0 HD22 LEU A 98 42.233 -20.618 -15.685 1.00 0.00 H new ATOM 0 HD23 LEU A 98 42.122 -19.092 -14.776 1.00 0.00 H new TER 469 LEU A 98 ATOM 470 N GLU B 70 4.739 4.643 -1.355 1.00 0.00 N ATOM 471 CA GLU B 70 5.068 5.762 -2.231 1.00 0.00 C ATOM 472 C GLU B 70 6.452 5.579 -2.848 1.00 0.00 C ATOM 473 O GLU B 70 6.610 5.507 -4.067 1.00 0.00 O ATOM 474 CB GLU B 70 5.014 7.079 -1.455 1.00 0.00 C ATOM 475 CG GLU B 70 3.935 8.030 -1.945 1.00 0.00 C ATOM 476 CD GLU B 70 3.703 9.189 -0.995 1.00 0.00 C ATOM 477 OE1 GLU B 70 3.171 8.952 0.110 1.00 0.00 O ATOM 478 OE2 GLU B 70 4.052 10.332 -1.356 1.00 0.00 O ATOM 0 HA GLU B 70 4.331 5.792 -3.034 1.00 0.00 H new ATOM 0 HB2 GLU B 70 4.844 6.863 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU B 70 5.983 7.574 -1.527 1.00 0.00 H new ATOM 0 HG2 GLU B 70 4.216 8.418 -2.924 1.00 0.00 H new ATOM 0 HG3 GLU B 70 3.003 7.480 -2.075 1.00 0.00 H new ATOM 485 N PRO B 71 7.478 5.504 -1.988 1.00 0.00 N ATOM 486 CA PRO B 71 8.866 5.329 -2.426 1.00 0.00 C ATOM 487 C PRO B 71 9.122 3.942 -3.004 1.00 0.00 C ATOM 488 O PRO B 71 8.337 3.017 -2.793 1.00 0.00 O ATOM 489 CB PRO B 71 9.671 5.528 -1.139 1.00 0.00 C ATOM 490 CG PRO B 71 8.727 5.173 -0.043 1.00 0.00 C ATOM 491 CD PRO B 71 7.362 5.582 -0.522 1.00 0.00 C ATOM 0 HA PRO B 71 9.132 6.022 -3.224 1.00 0.00 H new ATOM 0 HB2 PRO B 71 10.555 4.890 -1.122 1.00 0.00 H new ATOM 0 HB3 PRO B 71 10.018 6.557 -1.044 1.00 0.00 H new ATOM 0 HG2 PRO B 71 8.761 4.105 0.171 1.00 0.00 H new ATOM 0 HG3 PRO B 71 8.988 5.691 0.880 1.00 0.00 H new ATOM 0 HD2 PRO B 71 6.587 4.915 -0.144 1.00 0.00 H new ATOM 0 HD3 PRO B 71 7.105 6.589 -0.192 1.00 0.00 H new ATOM 499 N GLU B 72 10.224 3.803 -3.735 1.00 0.00 N ATOM 500 CA GLU B 72 10.581 2.528 -4.344 1.00 0.00 C ATOM 501 C GLU B 72 12.096 2.384 -4.457 1.00 0.00 C ATOM 502 O GLU B 72 12.664 1.365 -4.062 1.00 0.00 O ATOM 503 CB GLU B 72 9.941 2.401 -5.728 1.00 0.00 C ATOM 504 CG GLU B 72 10.121 3.634 -6.597 1.00 0.00 C ATOM 505 CD GLU B 72 9.314 3.567 -7.879 1.00 0.00 C ATOM 506 OE1 GLU B 72 8.618 2.552 -8.090 1.00 0.00 O ATOM 507 OE2 GLU B 72 9.379 4.530 -8.671 1.00 0.00 O ATOM 0 H GLU B 72 10.884 4.558 -3.919 1.00 0.00 H new ATOM 0 HA GLU B 72 10.204 1.731 -3.703 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.371 1.540 -6.240 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.876 2.203 -5.610 1.00 0.00 H new ATOM 0 HG2 GLU B 72 9.826 4.518 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU B 72 11.177 3.750 -6.842 1.00 0.00 H new ATOM 514 N ILE B 73 12.743 3.410 -4.999 1.00 0.00 N ATOM 515 CA ILE B 73 14.191 3.399 -5.164 1.00 0.00 C ATOM 516 C ILE B 73 14.890 3.050 -3.854 1.00 0.00 C ATOM 517 O ILE B 73 15.896 2.339 -3.845 1.00 0.00 O ATOM 518 CB ILE B 73 14.711 4.760 -5.663 1.00 0.00 C ATOM 519 CG1 ILE B 73 14.031 5.138 -6.981 1.00 0.00 C ATOM 520 CG2 ILE B 73 16.222 4.719 -5.834 1.00 0.00 C ATOM 521 CD1 ILE B 73 14.258 4.132 -8.088 1.00 0.00 C ATOM 0 H ILE B 73 12.287 4.260 -5.331 1.00 0.00 H new ATOM 0 HA ILE B 73 14.418 2.637 -5.909 1.00 0.00 H new ATOM 0 HB ILE B 73 14.469 5.520 -4.920 1.00 0.00 H new ATOM 0 HG12 ILE B 73 12.960 5.243 -6.811 1.00 0.00 H new ATOM 0 HG13 ILE B 73 14.399 6.112 -7.304 1.00 0.00 H new ATOM 0 HG21 ILE B 73 16.575 5.688 -6.187 1.00 0.00 H new ATOM 0 HG22 ILE B 73 16.690 4.489 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE B 73 16.485 3.950 -6.561 1.00 0.00 H new ATOM 0 HD11 ILE B 73 13.748 4.464 -8.992 1.00 0.00 H new ATOM 0 HD12 ILE B 73 15.326 4.044 -8.286 1.00 0.00 H new ATOM 0 HD13 ILE B 73 13.864 3.162 -7.785 1.00 0.00 H new ATOM 533 N THR B 74 14.350 3.553 -2.748 1.00 0.00 N ATOM 534 CA THR B 74 14.921 3.293 -1.433 1.00 0.00 C ATOM 535 C THR B 74 14.967 1.798 -1.138 1.00 0.00 C ATOM 536 O THR B 74 16.020 1.253 -0.804 1.00 0.00 O ATOM 537 CB THR B 74 14.119 3.999 -0.323 1.00 0.00 C ATOM 538 OG1 THR B 74 13.999 5.395 -0.619 1.00 0.00 O ATOM 539 CG2 THR B 74 14.792 3.818 1.029 1.00 0.00 C ATOM 0 H THR B 74 13.518 4.143 -2.737 1.00 0.00 H new ATOM 0 HA THR B 74 15.936 3.689 -1.446 1.00 0.00 H new ATOM 0 HB THR B 74 13.127 3.550 -0.280 1.00 0.00 H new ATOM 0 HG1 THR B 74 13.487 5.837 0.090 1.00 0.00 H new ATOM 0 HG21 THR B 74 14.208 4.325 1.797 1.00 0.00 H new ATOM 0 HG22 THR B 74 14.856 2.756 1.264 1.00 0.00 H new ATOM 0 HG23 THR B 74 15.795 4.244 0.996 1.00 0.00 H new ATOM 547 N LEU B 75 13.820 1.140 -1.264 1.00 0.00 N ATOM 548 CA LEU B 75 13.730 -0.294 -1.012 1.00 0.00 C ATOM 549 C LEU B 75 14.632 -1.072 -1.965 1.00 0.00 C ATOM 550 O LEU B 75 15.227 -2.082 -1.586 1.00 0.00 O ATOM 551 CB LEU B 75 12.283 -0.768 -1.161 1.00 0.00 C ATOM 552 CG LEU B 75 11.248 -0.044 -0.298 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.862 -0.169 -0.910 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.258 -0.594 1.121 1.00 0.00 C ATOM 0 H LEU B 75 12.940 1.576 -1.539 1.00 0.00 H new ATOM 0 HA LEU B 75 14.064 -0.480 0.009 1.00 0.00 H new ATOM 0 HB2 LEU B 75 11.993 -0.663 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.244 -1.831 -0.925 1.00 0.00 H new ATOM 0 HG LEU B 75 11.511 1.013 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.139 0.352 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.863 0.273 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.589 -1.222 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.516 -0.067 1.721 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.020 -1.657 1.101 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.246 -0.452 1.559 1.00 0.00 H new ATOM 566 N ILE B 76 14.730 -0.595 -3.201 1.00 0.00 N ATOM 567 CA ILE B 76 15.562 -1.245 -4.206 1.00 0.00 C ATOM 568 C ILE B 76 17.040 -1.146 -3.843 1.00 0.00 C ATOM 569 O ILE B 76 17.794 -2.106 -4.004 1.00 0.00 O ATOM 570 CB ILE B 76 15.345 -0.628 -5.600 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.874 -0.734 -6.006 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.234 -1.315 -6.627 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.462 0.272 -7.057 1.00 0.00 C ATOM 0 H ILE B 76 14.244 0.239 -3.531 1.00 0.00 H new ATOM 0 HA ILE B 76 15.266 -2.294 -4.232 1.00 0.00 H new ATOM 0 HB ILE B 76 15.616 0.427 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.681 -1.739 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.251 -0.599 -5.122 1.00 0.00 H new ATOM 0 HG21 ILE B 76 16.070 -0.868 -7.608 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.279 -1.193 -6.343 1.00 0.00 H new ATOM 0 HG23 ILE B 76 15.991 -2.377 -6.667 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.407 0.138 -7.295 1.00 0.00 H new ATOM 0 HD12 ILE B 76 13.623 1.281 -6.678 1.00 0.00 H new ATOM 0 HD13 ILE B 76 14.059 0.123 -7.957 1.00 0.00 H new ATOM 585 N ILE B 77 17.446 0.019 -3.352 1.00 0.00 N ATOM 586 CA ILE B 77 18.833 0.242 -2.963 1.00 0.00 C ATOM 587 C ILE B 77 19.216 -0.625 -1.769 1.00 0.00 C ATOM 588 O ILE B 77 20.165 -1.407 -1.834 1.00 0.00 O ATOM 589 CB ILE B 77 19.090 1.720 -2.613 1.00 0.00 C ATOM 590 CG1 ILE B 77 19.031 2.583 -3.875 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.435 1.875 -1.920 1.00 0.00 C ATOM 592 CD1 ILE B 77 20.157 2.309 -4.847 1.00 0.00 C ATOM 0 H ILE B 77 16.834 0.824 -3.214 1.00 0.00 H new ATOM 0 HA ILE B 77 19.448 -0.032 -3.820 1.00 0.00 H new ATOM 0 HB ILE B 77 18.311 2.057 -1.929 1.00 0.00 H new ATOM 0 HG12 ILE B 77 18.079 2.413 -4.377 1.00 0.00 H new ATOM 0 HG13 ILE B 77 19.057 3.634 -3.588 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.601 2.925 -1.679 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.441 1.287 -1.002 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.227 1.524 -2.581 1.00 0.00 H new ATOM 0 HD11 ILE B 77 20.052 2.956 -5.718 1.00 0.00 H new ATOM 0 HD12 ILE B 77 21.113 2.506 -4.362 1.00 0.00 H new ATOM 0 HD13 ILE B 77 20.119 1.267 -5.163 1.00 0.00 H new ATOM 604 N PHE B 78 18.470 -0.483 -0.678 1.00 0.00 N ATOM 605 CA PHE B 78 18.730 -1.254 0.532 1.00 0.00 C ATOM 606 C PHE B 78 18.606 -2.750 0.260 1.00 0.00 C ATOM 607 O PHE B 78 19.295 -3.563 0.876 1.00 0.00 O ATOM 608 CB PHE B 78 17.760 -0.844 1.642 1.00 0.00 C ATOM 609 CG PHE B 78 17.816 -1.738 2.847 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.024 -2.873 2.922 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.660 -1.444 3.906 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.073 -3.697 4.030 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.713 -2.265 5.017 1.00 0.00 C ATOM 614 CZ PHE B 78 17.919 -3.393 5.078 1.00 0.00 C ATOM 0 H PHE B 78 17.681 0.159 -0.607 1.00 0.00 H new ATOM 0 HA PHE B 78 19.750 -1.044 0.855 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.981 0.179 1.948 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.745 -0.845 1.245 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.361 -3.116 2.105 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.284 -0.563 3.863 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.450 -4.578 4.076 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.375 -2.024 5.836 1.00 0.00 H new ATOM 0 HZ PHE B 78 17.960 -4.037 5.944 1.00 0.00 H new ATOM 624 N GLY B 79 17.722 -3.107 -0.666 1.00 0.00 N ATOM 625 CA GLY B 79 17.523 -4.504 -1.004 1.00 0.00 C ATOM 626 C GLY B 79 18.720 -5.106 -1.711 1.00 0.00 C ATOM 627 O GLY B 79 19.374 -6.006 -1.184 1.00 0.00 O ATOM 0 H GLY B 79 17.139 -2.453 -1.189 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.320 -5.069 -0.094 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.643 -4.599 -1.641 1.00 0.00 H new ATOM 631 N VAL B 80 19.009 -4.610 -2.910 1.00 0.00 N ATOM 632 CA VAL B 80 20.136 -5.105 -3.691 1.00 0.00 C ATOM 633 C VAL B 80 21.440 -4.987 -2.911 1.00 0.00 C ATOM 634 O VAL B 80 22.324 -5.835 -3.027 1.00 0.00 O ATOM 635 CB VAL B 80 20.275 -4.341 -5.021 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.472 -4.853 -5.808 1.00 0.00 C ATOM 637 CG2 VAL B 80 18.998 -4.460 -5.840 1.00 0.00 C ATOM 0 H VAL B 80 18.478 -3.865 -3.362 1.00 0.00 H new ATOM 0 HA VAL B 80 19.937 -6.156 -3.903 1.00 0.00 H new ATOM 0 HB VAL B 80 20.440 -3.287 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.554 -4.302 -6.745 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.380 -4.711 -5.222 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.340 -5.914 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.114 -3.914 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.800 -5.510 -6.054 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.164 -4.041 -5.277 1.00 0.00 H new ATOM 647 N MET B 81 21.553 -3.929 -2.114 1.00 0.00 N ATOM 648 CA MET B 81 22.749 -3.701 -1.312 1.00 0.00 C ATOM 649 C MET B 81 22.913 -4.791 -0.257 1.00 0.00 C ATOM 650 O MET B 81 23.998 -5.344 -0.086 1.00 0.00 O ATOM 651 CB MET B 81 22.683 -2.329 -0.638 1.00 0.00 C ATOM 652 CG MET B 81 23.045 -1.179 -1.565 1.00 0.00 C ATOM 653 SD MET B 81 24.634 -0.431 -1.155 1.00 0.00 S ATOM 654 CE MET B 81 24.145 1.270 -0.877 1.00 0.00 C ATOM 0 H MET B 81 20.831 -3.217 -2.007 1.00 0.00 H new ATOM 0 HA MET B 81 23.612 -3.731 -1.977 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.676 -2.171 -0.252 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.357 -2.321 0.218 1.00 0.00 H new ATOM 0 HG2 MET B 81 23.072 -1.541 -2.593 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.266 -0.418 -1.515 1.00 0.00 H new ATOM 0 HE1 MET B 81 25.021 1.862 -0.613 1.00 0.00 H new ATOM 0 HE2 MET B 81 23.695 1.672 -1.785 1.00 0.00 H new ATOM 0 HE3 MET B 81 23.421 1.312 -0.064 1.00 0.00 H new ATOM 664 N ALA B 82 21.827 -5.094 0.448 1.00 0.00 N ATOM 665 CA ALA B 82 21.851 -6.118 1.484 1.00 0.00 C ATOM 666 C ALA B 82 22.176 -7.487 0.895 1.00 0.00 C ATOM 667 O ALA B 82 22.903 -8.276 1.498 1.00 0.00 O ATOM 668 CB ALA B 82 20.518 -6.160 2.216 1.00 0.00 C ATOM 0 H ALA B 82 20.920 -4.645 0.320 1.00 0.00 H new ATOM 0 HA ALA B 82 22.636 -5.861 2.196 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.550 -6.930 2.987 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.326 -5.192 2.678 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.721 -6.389 1.508 1.00 0.00 H new ATOM 674 N GLY B 83 21.631 -7.763 -0.286 1.00 0.00 N ATOM 675 CA GLY B 83 21.874 -9.037 -0.936 1.00 0.00 C ATOM 676 C GLY B 83 23.278 -9.143 -1.499 1.00 0.00 C ATOM 677 O GLY B 83 24.022 -10.064 -1.162 1.00 0.00 O ATOM 0 H GLY B 83 21.025 -7.126 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.711 -9.843 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.152 -9.174 -1.741 1.00 0.00 H new ATOM 681 N VAL B 84 23.641 -8.198 -2.360 1.00 0.00 N ATOM 682 CA VAL B 84 24.964 -8.188 -2.972 1.00 0.00 C ATOM 683 C VAL B 84 26.060 -8.218 -1.912 1.00 0.00 C ATOM 684 O VAL B 84 26.991 -9.020 -1.989 1.00 0.00 O ATOM 685 CB VAL B 84 25.162 -6.948 -3.864 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.578 -6.909 -4.418 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.139 -6.934 -4.990 1.00 0.00 C ATOM 0 H VAL B 84 23.037 -7.429 -2.650 1.00 0.00 H new ATOM 0 HA VAL B 84 25.033 -9.084 -3.589 1.00 0.00 H new ATOM 0 HB VAL B 84 25.011 -6.056 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.699 -6.026 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.290 -6.869 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.761 -7.804 -5.012 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.293 -6.051 -5.611 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.256 -7.831 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.134 -6.910 -4.568 1.00 0.00 H new ATOM 697 N ILE B 85 25.942 -7.338 -0.923 1.00 0.00 N ATOM 698 CA ILE B 85 26.922 -7.265 0.154 1.00 0.00 C ATOM 699 C ILE B 85 26.954 -8.561 0.957 1.00 0.00 C ATOM 700 O ILE B 85 28.019 -9.125 1.203 1.00 0.00 O ATOM 701 CB ILE B 85 26.626 -6.091 1.106 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.790 -4.758 0.373 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.540 -6.150 2.320 1.00 0.00 C ATOM 704 CD1 ILE B 85 28.213 -4.474 -0.054 1.00 0.00 C ATOM 0 H ILE B 85 25.178 -6.666 -0.845 1.00 0.00 H new ATOM 0 HA ILE B 85 27.894 -7.106 -0.314 1.00 0.00 H new ATOM 0 HB ILE B 85 25.594 -6.171 1.448 1.00 0.00 H new ATOM 0 HG12 ILE B 85 26.148 -4.756 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.446 -3.952 1.021 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.319 -5.314 2.983 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.378 -7.088 2.852 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.579 -6.091 1.996 1.00 0.00 H new ATOM 0 HD11 ILE B 85 28.254 -3.513 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE B 85 28.857 -4.444 0.825 1.00 0.00 H new ATOM 0 HD13 ILE B 85 28.555 -5.260 -0.728 1.00 0.00 H new ATOM 716 N GLY B 86 25.777 -9.029 1.363 1.00 0.00 N ATOM 717 CA GLY B 86 25.693 -10.256 2.133 1.00 0.00 C ATOM 718 C GLY B 86 26.255 -11.449 1.386 1.00 0.00 C ATOM 719 O GLY B 86 26.852 -12.343 1.986 1.00 0.00 O ATOM 0 H GLY B 86 24.881 -8.580 1.172 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.234 -10.131 3.071 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.651 -10.450 2.390 1.00 0.00 H new ATOM 723 N THR B 87 26.062 -11.466 0.070 1.00 0.00 N ATOM 724 CA THR B 87 26.551 -12.560 -0.760 1.00 0.00 C ATOM 725 C THR B 87 28.074 -12.555 -0.834 1.00 0.00 C ATOM 726 O THR B 87 28.726 -13.528 -0.455 1.00 0.00 O ATOM 727 CB THR B 87 25.978 -12.481 -2.187 1.00 0.00 C ATOM 728 OG1 THR B 87 24.548 -12.519 -2.144 1.00 0.00 O ATOM 729 CG2 THR B 87 26.495 -13.629 -3.042 1.00 0.00 C ATOM 0 H THR B 87 25.570 -10.734 -0.443 1.00 0.00 H new ATOM 0 HA THR B 87 26.216 -13.486 -0.293 1.00 0.00 H new ATOM 0 HB THR B 87 26.303 -11.541 -2.633 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.218 -11.785 -1.585 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.077 -13.552 -4.046 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.583 -13.580 -3.097 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.197 -14.578 -2.596 1.00 0.00 H new ATOM 737 N ILE B 88 28.634 -11.454 -1.325 1.00 0.00 N ATOM 738 CA ILE B 88 30.080 -11.323 -1.447 1.00 0.00 C ATOM 739 C ILE B 88 30.768 -11.548 -0.104 1.00 0.00 C ATOM 740 O ILE B 88 31.839 -12.153 -0.037 1.00 0.00 O ATOM 741 CB ILE B 88 30.476 -9.936 -1.987 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.816 -9.686 -3.345 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.989 -9.824 -2.099 1.00 0.00 C ATOM 744 CD1 ILE B 88 30.006 -8.276 -3.858 1.00 0.00 C ATOM 0 H ILE B 88 28.108 -10.641 -1.644 1.00 0.00 H new ATOM 0 HA ILE B 88 30.407 -12.086 -2.153 1.00 0.00 H new ATOM 0 HB ILE B 88 30.125 -9.176 -1.288 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.224 -10.387 -4.073 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.749 -9.894 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.254 -8.838 -2.482 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.438 -9.964 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.361 -10.590 -2.780 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.512 -8.171 -4.824 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.572 -7.570 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.070 -8.070 -3.970 1.00 0.00 H new ATOM 756 N LEU B 89 30.145 -11.060 0.962 1.00 0.00 N ATOM 757 CA LEU B 89 30.696 -11.209 2.305 1.00 0.00 C ATOM 758 C LEU B 89 30.730 -12.676 2.719 1.00 0.00 C ATOM 759 O LEU B 89 31.774 -13.197 3.114 1.00 0.00 O ATOM 760 CB LEU B 89 29.870 -10.403 3.309 1.00 0.00 C ATOM 761 CG LEU B 89 30.293 -8.948 3.512 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.287 -8.215 4.386 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.684 -8.878 4.125 1.00 0.00 C ATOM 0 H LEU B 89 29.258 -10.558 0.923 1.00 0.00 H new ATOM 0 HA LEU B 89 31.718 -10.829 2.296 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.829 -10.416 2.986 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.911 -10.910 4.273 1.00 0.00 H new ATOM 0 HG LEU B 89 30.321 -8.459 2.538 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.606 -7.181 4.519 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.308 -8.234 3.908 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.226 -8.704 5.358 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.969 -7.835 4.262 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.682 -9.384 5.090 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.399 -9.365 3.462 1.00 0.00 H new ATOM 775 N LEU B 90 29.583 -13.339 2.625 1.00 0.00 N ATOM 776 CA LEU B 90 29.481 -14.748 2.988 1.00 0.00 C ATOM 777 C LEU B 90 30.501 -15.583 2.220 1.00 0.00 C ATOM 778 O LEU B 90 31.226 -16.389 2.805 1.00 0.00 O ATOM 779 CB LEU B 90 28.069 -15.266 2.712 1.00 0.00 C ATOM 780 CG LEU B 90 27.582 -16.402 3.613 1.00 0.00 C ATOM 781 CD1 LEU B 90 26.063 -16.404 3.695 1.00 0.00 C ATOM 782 CD2 LEU B 90 28.093 -17.742 3.104 1.00 0.00 C ATOM 0 H LEU B 90 28.710 -12.923 2.300 1.00 0.00 H new ATOM 0 HA LEU B 90 29.692 -14.839 4.053 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.373 -14.432 2.805 1.00 0.00 H new ATOM 0 HB3 LEU B 90 28.024 -15.605 1.677 1.00 0.00 H new ATOM 0 HG LEU B 90 27.979 -16.242 4.615 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.735 -17.219 4.340 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.720 -15.455 4.106 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.645 -16.540 2.698 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.737 -18.539 3.757 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.726 -17.911 2.092 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.183 -17.737 3.098 1.00 0.00 H new ATOM 794 N ILE B 91 30.552 -15.384 0.907 1.00 0.00 N ATOM 795 CA ILE B 91 31.485 -16.116 0.060 1.00 0.00 C ATOM 796 C ILE B 91 32.929 -15.763 0.399 1.00 0.00 C ATOM 797 O ILE B 91 33.733 -16.637 0.725 1.00 0.00 O ATOM 798 CB ILE B 91 31.235 -15.828 -1.432 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.806 -16.217 -1.817 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.242 -16.577 -2.292 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.472 -15.936 -3.265 1.00 0.00 C ATOM 0 H ILE B 91 29.958 -14.722 0.407 1.00 0.00 H new ATOM 0 HA ILE B 91 31.319 -17.176 0.250 1.00 0.00 H new ATOM 0 HB ILE B 91 31.360 -14.759 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.661 -17.279 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.107 -15.676 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.052 -16.363 -3.344 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.251 -16.257 -2.033 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.145 -17.648 -2.116 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.444 -16.237 -3.466 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.584 -14.870 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.147 -16.498 -3.910 1.00 0.00 H new ATOM 813 N SER B 92 33.251 -14.476 0.323 1.00 0.00 N ATOM 814 CA SER B 92 34.599 -14.006 0.620 1.00 0.00 C ATOM 815 C SER B 92 35.036 -14.455 2.011 1.00 0.00 C ATOM 816 O SER B 92 36.229 -14.576 2.290 1.00 0.00 O ATOM 817 CB SER B 92 34.665 -12.481 0.519 1.00 0.00 C ATOM 818 OG SER B 92 36.008 -12.029 0.494 1.00 0.00 O ATOM 0 H SER B 92 32.597 -13.740 0.058 1.00 0.00 H new ATOM 0 HA SER B 92 35.278 -14.440 -0.113 1.00 0.00 H new ATOM 0 HB2 SER B 92 34.150 -12.151 -0.383 1.00 0.00 H new ATOM 0 HB3 SER B 92 34.143 -12.034 1.366 1.00 0.00 H new ATOM 0 HG SER B 92 36.023 -11.051 0.428 1.00 0.00 H new ATOM 824 N TYR B 93 34.062 -14.699 2.880 1.00 0.00 N ATOM 825 CA TYR B 93 34.344 -15.131 4.244 1.00 0.00 C ATOM 826 C TYR B 93 34.840 -16.574 4.266 1.00 0.00 C ATOM 827 O TYR B 93 35.881 -16.876 4.849 1.00 0.00 O ATOM 828 CB TYR B 93 33.093 -14.997 5.113 1.00 0.00 C ATOM 829 CG TYR B 93 33.333 -15.314 6.572 1.00 0.00 C ATOM 830 CD1 TYR B 93 34.011 -14.422 7.394 1.00 0.00 C ATOM 831 CD2 TYR B 93 32.882 -16.505 7.128 1.00 0.00 C ATOM 832 CE1 TYR B 93 34.233 -14.708 8.728 1.00 0.00 C ATOM 833 CE2 TYR B 93 33.098 -16.798 8.461 1.00 0.00 C ATOM 834 CZ TYR B 93 33.774 -15.896 9.256 1.00 0.00 C ATOM 835 OH TYR B 93 33.992 -16.185 10.584 1.00 0.00 O ATOM 0 H TYR B 93 33.070 -14.605 2.664 1.00 0.00 H new ATOM 0 HA TYR B 93 35.128 -14.490 4.647 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.710 -13.980 5.029 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.320 -15.662 4.728 1.00 0.00 H new ATOM 0 HD1 TYR B 93 34.370 -13.490 6.984 1.00 0.00 H new ATOM 0 HD2 TYR B 93 32.354 -17.214 6.508 1.00 0.00 H new ATOM 0 HE1 TYR B 93 34.763 -14.005 9.353 1.00 0.00 H new ATOM 0 HE2 TYR B 93 32.740 -17.728 8.878 1.00 0.00 H new ATOM 0 HH TYR B 93 33.604 -17.060 10.796 1.00 0.00 H new ATOM 845 N GLY B 94 34.087 -17.462 3.624 1.00 0.00 N ATOM 846 CA GLY B 94 34.466 -18.862 3.581 1.00 0.00 C ATOM 847 C GLY B 94 35.786 -19.084 2.871 1.00 0.00 C ATOM 848 O GLY B 94 36.534 -20.002 3.210 1.00 0.00 O ATOM 0 H GLY B 94 33.222 -17.237 3.133 1.00 0.00 H new ATOM 0 HA2 GLY B 94 34.535 -19.248 4.598 1.00 0.00 H new ATOM 0 HA3 GLY B 94 33.685 -19.431 3.076 1.00 0.00 H new ATOM 852 N ILE B 95 36.073 -18.244 1.882 1.00 0.00 N ATOM 853 CA ILE B 95 37.313 -18.354 1.123 1.00 0.00 C ATOM 854 C ILE B 95 38.495 -17.813 1.920 1.00 0.00 C ATOM 855 O ILE B 95 39.628 -18.266 1.753 1.00 0.00 O ATOM 856 CB ILE B 95 37.222 -17.597 -0.216 1.00 0.00 C ATOM 857 CG1 ILE B 95 36.332 -18.362 -1.199 1.00 0.00 C ATOM 858 CG2 ILE B 95 38.610 -17.388 -0.801 1.00 0.00 C ATOM 859 CD1 ILE B 95 35.727 -17.486 -2.273 1.00 0.00 C ATOM 0 H ILE B 95 35.464 -17.480 1.588 1.00 0.00 H new ATOM 0 HA ILE B 95 37.468 -19.414 0.923 1.00 0.00 H new ATOM 0 HB ILE B 95 36.775 -16.620 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE B 95 36.919 -19.149 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE B 95 35.530 -18.851 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE B 95 38.529 -16.852 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE B 95 39.215 -16.807 -0.105 1.00 0.00 H new ATOM 0 HG23 ILE B 95 39.082 -18.355 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE B 95 35.109 -18.094 -2.933 1.00 0.00 H new ATOM 0 HD12 ILE B 95 35.112 -16.714 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE B 95 36.523 -17.017 -2.851 1.00 0.00 H new ATOM 871 N ARG B 96 38.224 -16.844 2.787 1.00 0.00 N ATOM 872 CA ARG B 96 39.265 -16.241 3.611 1.00 0.00 C ATOM 873 C ARG B 96 39.851 -17.264 4.580 1.00 0.00 C ATOM 874 O ARG B 96 41.033 -17.208 4.918 1.00 0.00 O ATOM 875 CB ARG B 96 38.705 -15.048 4.387 1.00 0.00 C ATOM 876 CG ARG B 96 39.418 -13.739 4.090 1.00 0.00 C ATOM 877 CD ARG B 96 40.576 -13.506 5.047 1.00 0.00 C ATOM 878 NE ARG B 96 41.743 -14.313 4.701 1.00 0.00 N ATOM 879 CZ ARG B 96 42.953 -14.112 5.212 1.00 0.00 C ATOM 880 NH1 ARG B 96 43.154 -13.136 6.086 1.00 0.00 N ATOM 881 NH2 ARG B 96 43.965 -14.889 4.848 1.00 0.00 N ATOM 0 H ARG B 96 37.292 -16.459 2.938 1.00 0.00 H new ATOM 0 HA ARG B 96 40.060 -15.894 2.951 1.00 0.00 H new ATOM 0 HB2 ARG B 96 37.647 -14.937 4.152 1.00 0.00 H new ATOM 0 HB3 ARG B 96 38.774 -15.255 5.455 1.00 0.00 H new ATOM 0 HG2 ARG B 96 39.788 -13.750 3.065 1.00 0.00 H new ATOM 0 HG3 ARG B 96 38.711 -12.913 4.165 1.00 0.00 H new ATOM 0 HD2 ARG B 96 40.849 -12.451 5.036 1.00 0.00 H new ATOM 0 HD3 ARG B 96 40.260 -13.743 6.063 1.00 0.00 H new ATOM 0 HE ARG B 96 41.623 -15.072 4.031 1.00 0.00 H new ATOM 0 HH11 ARG B 96 42.379 -12.536 6.368 1.00 0.00 H new ATOM 0 HH12 ARG B 96 44.084 -12.984 6.476 1.00 0.00 H new ATOM 0 HH21 ARG B 96 43.814 -15.641 4.176 1.00 0.00 H new ATOM 0 HH22 ARG B 96 44.894 -14.734 5.241 1.00 0.00 H new ATOM 895 N ARG B 97 39.014 -18.196 5.025 1.00 0.00 N ATOM 896 CA ARG B 97 39.448 -19.229 5.957 1.00 0.00 C ATOM 897 C ARG B 97 39.945 -20.463 5.209 1.00 0.00 C ATOM 898 O ARG B 97 40.888 -21.127 5.642 1.00 0.00 O ATOM 899 CB ARG B 97 38.302 -19.616 6.894 1.00 0.00 C ATOM 900 CG ARG B 97 38.743 -20.449 8.086 1.00 0.00 C ATOM 901 CD ARG B 97 37.894 -20.159 9.313 1.00 0.00 C ATOM 902 NE ARG B 97 36.621 -20.876 9.280 1.00 0.00 N ATOM 903 CZ ARG B 97 35.632 -20.657 10.138 1.00 0.00 C ATOM 904 NH1 ARG B 97 35.767 -19.746 11.092 1.00 0.00 N ATOM 905 NH2 ARG B 97 34.504 -21.349 10.043 1.00 0.00 N ATOM 0 H ARG B 97 38.032 -18.256 4.755 1.00 0.00 H new ATOM 0 HA ARG B 97 40.271 -18.826 6.547 1.00 0.00 H new ATOM 0 HB2 ARG B 97 37.817 -18.709 7.255 1.00 0.00 H new ATOM 0 HB3 ARG B 97 37.555 -20.173 6.329 1.00 0.00 H new ATOM 0 HG2 ARG B 97 38.674 -21.508 7.837 1.00 0.00 H new ATOM 0 HG3 ARG B 97 39.790 -20.241 8.309 1.00 0.00 H new ATOM 0 HD2 ARG B 97 38.445 -20.440 10.210 1.00 0.00 H new ATOM 0 HD3 ARG B 97 37.705 -19.087 9.378 1.00 0.00 H new ATOM 0 HE ARG B 97 36.485 -21.584 8.558 1.00 0.00 H new ATOM 0 HH11 ARG B 97 36.632 -19.211 11.168 1.00 0.00 H new ATOM 0 HH12 ARG B 97 35.005 -19.580 11.750 1.00 0.00 H new ATOM 0 HH21 ARG B 97 34.396 -22.050 9.310 1.00 0.00 H new ATOM 0 HH22 ARG B 97 33.745 -21.180 10.703 1.00 0.00 H new ATOM 919 N LEU B 98 39.306 -20.763 4.084 1.00 0.00 N ATOM 920 CA LEU B 98 39.682 -21.917 3.275 1.00 0.00 C ATOM 921 C LEU B 98 39.881 -23.153 4.148 1.00 0.00 C ATOM 922 O LEU B 98 39.842 -24.282 3.660 1.00 0.00 O ATOM 923 CB LEU B 98 40.962 -21.620 2.492 1.00 0.00 C ATOM 924 CG LEU B 98 40.829 -21.609 0.969 1.00 0.00 C ATOM 925 CD1 LEU B 98 41.990 -20.856 0.337 1.00 0.00 C ATOM 926 CD2 LEU B 98 40.756 -23.030 0.429 1.00 0.00 C ATOM 0 H LEU B 98 38.525 -20.223 3.711 1.00 0.00 H new ATOM 0 HA LEU B 98 38.872 -22.117 2.573 1.00 0.00 H new ATOM 0 HB2 LEU B 98 41.342 -20.649 2.811 1.00 0.00 H new ATOM 0 HB3 LEU B 98 41.712 -22.362 2.766 1.00 0.00 H new ATOM 0 HG LEU B 98 39.904 -21.095 0.708 1.00 0.00 H new ATOM 0 HD11 LEU B 98 41.878 -20.859 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU B 98 41.997 -19.828 0.699 1.00 0.00 H new ATOM 0 HD13 LEU B 98 42.928 -21.341 0.606 1.00 0.00 H new ATOM 0 HD21 LEU B 98 40.662 -23.002 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU B 98 41.663 -23.570 0.701 1.00 0.00 H new ATOM 0 HD23 LEU B 98 39.891 -23.537 0.856 1.00 0.00 H new TER 938 LEU B 98