USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 642 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 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HE2:sc= -0.723 K(o=-0.72,f=-1.3) USER MOD Single : A 67 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.2) USER MOD Single : A 69 SER OG : rot 180:sc= 0.323 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 -34:sc= -1.41 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 63 GLN : amide:sc= -0.767 K(o=-0.77,f=-1.7) USER MOD Single : B 66 HIS : no HD1:sc= -0.0982 X(o=-0.098,f=-0.098) USER MOD Single : B 67 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.051) USER MOD Single : B 69 SER OG : rot 180:sc= -0.118 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 -38:sc= -1.33 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 ARG A 61 9.541 -22.816 -12.636 1.00 0.00 N ATOM 2 CA ARG A 61 10.374 -21.633 -12.459 1.00 0.00 C ATOM 3 C ARG A 61 10.132 -20.997 -11.094 1.00 0.00 C ATOM 4 O ARG A 61 9.214 -20.194 -10.925 1.00 0.00 O ATOM 5 CB ARG A 61 10.093 -20.615 -13.566 1.00 0.00 C ATOM 6 CG ARG A 61 11.230 -19.631 -13.792 1.00 0.00 C ATOM 7 CD ARG A 61 12.374 -20.270 -14.562 1.00 0.00 C ATOM 8 NE ARG A 61 13.331 -20.928 -13.676 1.00 0.00 N ATOM 9 CZ ARG A 61 14.382 -21.615 -14.109 1.00 0.00 C ATOM 10 NH1 ARG A 61 14.610 -21.734 -15.409 1.00 0.00 N ATOM 11 NH2 ARG A 61 15.208 -22.184 -13.240 1.00 0.00 N ATOM 0 HA ARG A 61 11.418 -21.942 -12.516 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.895 -21.148 -14.496 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.188 -20.061 -13.317 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.860 -18.765 -14.341 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.595 -19.268 -12.831 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.974 -20.998 -15.268 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.887 -19.507 -15.148 1.00 0.00 H new ATOM 0 HE ARG A 61 13.184 -20.856 -12.669 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.978 -21.297 -16.080 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.418 -22.262 -15.739 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.036 -22.094 -12.239 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.015 -22.711 -13.573 1.00 0.00 H new ATOM 25 N VAL A 62 10.962 -21.362 -10.121 1.00 0.00 N ATOM 26 CA VAL A 62 10.839 -20.826 -8.771 1.00 0.00 C ATOM 27 C VAL A 62 11.480 -19.448 -8.665 1.00 0.00 C ATOM 28 O VAL A 62 12.434 -19.141 -9.379 1.00 0.00 O ATOM 29 CB VAL A 62 11.488 -21.763 -7.734 1.00 0.00 C ATOM 30 CG1 VAL A 62 10.788 -23.114 -7.723 1.00 0.00 C ATOM 31 CG2 VAL A 62 12.973 -21.926 -8.020 1.00 0.00 C ATOM 0 H VAL A 62 11.726 -22.026 -10.243 1.00 0.00 H new ATOM 0 HA VAL A 62 9.773 -20.744 -8.560 1.00 0.00 H new ATOM 0 HB VAL A 62 11.378 -21.315 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.260 -23.762 -6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.737 -22.977 -7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 62 10.865 -23.572 -8.709 1.00 0.00 H new ATOM 0 HG21 VAL A 62 13.416 -22.591 -7.278 1.00 0.00 H new ATOM 0 HG22 VAL A 62 13.107 -22.351 -9.015 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.462 -20.953 -7.973 1.00 0.00 H new ATOM 41 N GLN A 63 10.950 -18.621 -7.770 1.00 0.00 N ATOM 42 CA GLN A 63 11.472 -17.274 -7.571 1.00 0.00 C ATOM 43 C GLN A 63 12.660 -17.286 -6.615 1.00 0.00 C ATOM 44 O GLN A 63 12.731 -18.115 -5.706 1.00 0.00 O ATOM 45 CB GLN A 63 10.375 -16.355 -7.030 1.00 0.00 C ATOM 46 CG GLN A 63 10.704 -14.876 -7.156 1.00 0.00 C ATOM 47 CD GLN A 63 9.477 -13.993 -7.046 1.00 0.00 C ATOM 48 OE1 GLN A 63 8.627 -13.978 -7.937 1.00 0.00 O ATOM 49 NE2 GLN A 63 9.377 -13.252 -5.949 1.00 0.00 N ATOM 0 H GLN A 63 10.160 -18.860 -7.171 1.00 0.00 H new ATOM 0 HA GLN A 63 11.810 -16.896 -8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.446 -16.559 -7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.199 -16.592 -5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.417 -14.599 -6.379 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.191 -14.697 -8.114 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.105 -13.296 -5.236 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.572 -12.639 -5.819 1.00 0.00 H new ATOM 58 N LEU A 64 13.591 -16.362 -6.825 1.00 0.00 N ATOM 59 CA LEU A 64 14.777 -16.266 -5.981 1.00 0.00 C ATOM 60 C LEU A 64 15.453 -14.908 -6.144 1.00 0.00 C ATOM 61 O LEU A 64 14.912 -14.008 -6.785 1.00 0.00 O ATOM 62 CB LEU A 64 15.764 -17.383 -6.326 1.00 0.00 C ATOM 63 CG LEU A 64 16.446 -17.279 -7.690 1.00 0.00 C ATOM 64 CD1 LEU A 64 17.753 -18.058 -7.694 1.00 0.00 C ATOM 65 CD2 LEU A 64 15.521 -17.780 -8.789 1.00 0.00 C ATOM 0 H LEU A 64 13.548 -15.669 -7.572 1.00 0.00 H new ATOM 0 HA LEU A 64 14.463 -16.373 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.536 -17.408 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.235 -18.335 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 64 16.671 -16.230 -7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 64 18.224 -17.973 -8.673 1.00 0.00 H new ATOM 0 HD12 LEU A 64 18.420 -17.653 -6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.552 -19.107 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.023 -17.698 -9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.264 -18.822 -8.601 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.612 -17.179 -8.802 1.00 0.00 H new ATOM 77 N ALA A 65 16.638 -14.769 -5.560 1.00 0.00 N ATOM 78 CA ALA A 65 17.390 -13.523 -5.644 1.00 0.00 C ATOM 79 C ALA A 65 16.746 -12.435 -4.791 1.00 0.00 C ATOM 80 O ALA A 65 15.744 -11.836 -5.183 1.00 0.00 O ATOM 81 CB ALA A 65 17.496 -13.067 -7.092 1.00 0.00 C ATOM 0 H ALA A 65 17.098 -15.504 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 65 18.393 -13.706 -5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 65 18.060 -12.135 -7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 65 18.007 -13.831 -7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.497 -12.907 -7.497 1.00 0.00 H new ATOM 87 N HIS A 66 17.327 -12.185 -3.622 1.00 0.00 N ATOM 88 CA HIS A 66 16.809 -11.169 -2.713 1.00 0.00 C ATOM 89 C HIS A 66 17.173 -9.769 -3.199 1.00 0.00 C ATOM 90 O HIS A 66 17.855 -9.016 -2.502 1.00 0.00 O ATOM 91 CB HIS A 66 17.357 -11.390 -1.302 1.00 0.00 C ATOM 92 CG HIS A 66 18.841 -11.585 -1.259 1.00 0.00 C ATOM 93 ND1 HIS A 66 19.735 -10.540 -1.156 1.00 0.00 N ATOM 94 CD2 HIS A 66 19.587 -12.713 -1.305 1.00 0.00 C ATOM 95 CE1 HIS A 66 20.967 -11.017 -1.142 1.00 0.00 C ATOM 96 NE2 HIS A 66 20.905 -12.333 -1.230 1.00 0.00 N ATOM 0 H HIS A 66 18.156 -12.672 -3.282 1.00 0.00 H new ATOM 0 HA HIS A 66 15.723 -11.256 -2.691 1.00 0.00 H new ATOM 0 HB2 HIS A 66 17.093 -10.534 -0.681 1.00 0.00 H new ATOM 0 HB3 HIS A 66 16.871 -12.263 -0.865 1.00 0.00 H new ATOM 0 HD1 HIS A 66 19.484 -9.553 -1.099 1.00 0.00 H new ATOM 0 HD2 HIS A 66 19.215 -13.724 -1.386 1.00 0.00 H new ATOM 0 HE1 HIS A 66 21.871 -10.430 -1.071 1.00 0.00 H new ATOM 104 N HIS A 67 16.714 -9.426 -4.398 1.00 0.00 N ATOM 105 CA HIS A 67 16.991 -8.116 -4.977 1.00 0.00 C ATOM 106 C HIS A 67 16.254 -7.941 -6.302 1.00 0.00 C ATOM 107 O HIS A 67 16.873 -7.872 -7.364 1.00 0.00 O ATOM 108 CB HIS A 67 18.494 -7.937 -5.189 1.00 0.00 C ATOM 109 CG HIS A 67 18.869 -6.583 -5.709 1.00 0.00 C ATOM 110 ND1 HIS A 67 18.415 -5.409 -5.146 1.00 0.00 N ATOM 111 CD2 HIS A 67 19.660 -6.220 -6.746 1.00 0.00 C ATOM 112 CE1 HIS A 67 18.909 -4.383 -5.815 1.00 0.00 C ATOM 113 NE2 HIS A 67 19.669 -4.848 -6.790 1.00 0.00 N ATOM 0 H HIS A 67 16.149 -10.037 -4.988 1.00 0.00 H new ATOM 0 HA HIS A 67 16.637 -7.356 -4.281 1.00 0.00 H new ATOM 0 HB2 HIS A 67 19.009 -8.109 -4.244 1.00 0.00 H new ATOM 0 HB3 HIS A 67 18.847 -8.696 -5.887 1.00 0.00 H new ATOM 0 HD2 HIS A 67 20.186 -6.886 -7.414 1.00 0.00 H new ATOM 0 HE1 HIS A 67 18.723 -3.341 -5.601 1.00 0.00 H new ATOM 0 HE2 HIS A 67 20.180 -4.280 -7.466 1.00 0.00 H new ATOM 121 N PHE A 68 14.929 -7.870 -6.231 1.00 0.00 N ATOM 122 CA PHE A 68 14.107 -7.705 -7.425 1.00 0.00 C ATOM 123 C PHE A 68 14.421 -6.385 -8.122 1.00 0.00 C ATOM 124 O PHE A 68 15.111 -5.527 -7.570 1.00 0.00 O ATOM 125 CB PHE A 68 12.623 -7.761 -7.060 1.00 0.00 C ATOM 126 CG PHE A 68 11.817 -8.654 -7.960 1.00 0.00 C ATOM 127 CD1 PHE A 68 12.059 -10.018 -8.001 1.00 0.00 C ATOM 128 CD2 PHE A 68 10.819 -8.129 -8.765 1.00 0.00 C ATOM 129 CE1 PHE A 68 11.319 -10.842 -8.829 1.00 0.00 C ATOM 130 CE2 PHE A 68 10.076 -8.949 -9.594 1.00 0.00 C ATOM 131 CZ PHE A 68 10.328 -10.307 -9.627 1.00 0.00 C ATOM 0 H PHE A 68 14.401 -7.924 -5.360 1.00 0.00 H new ATOM 0 HA PHE A 68 14.336 -8.521 -8.110 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.523 -8.109 -6.032 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.210 -6.753 -7.097 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.834 -10.442 -7.380 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.619 -7.068 -8.745 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.516 -11.904 -8.851 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.299 -8.528 -10.215 1.00 0.00 H new ATOM 0 HZ PHE A 68 9.751 -10.949 -10.276 1.00 0.00 H new ATOM 141 N SER A 69 13.911 -6.230 -9.340 1.00 0.00 N ATOM 142 CA SER A 69 14.140 -5.016 -10.116 1.00 0.00 C ATOM 143 C SER A 69 13.133 -4.903 -11.257 1.00 0.00 C ATOM 144 O SER A 69 12.142 -5.631 -11.297 1.00 0.00 O ATOM 145 CB SER A 69 15.564 -5.004 -10.674 1.00 0.00 C ATOM 146 OG SER A 69 15.912 -3.717 -11.154 1.00 0.00 O ATOM 0 H SER A 69 13.337 -6.929 -9.811 1.00 0.00 H new ATOM 0 HA SER A 69 14.010 -4.160 -9.454 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.265 -5.308 -9.897 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.648 -5.732 -11.481 1.00 0.00 H new ATOM 0 HG SER A 69 16.827 -3.735 -11.504 1.00 0.00 H new ATOM 152 N GLU A 70 13.397 -3.985 -12.181 1.00 0.00 N ATOM 153 CA GLU A 70 12.514 -3.776 -13.323 1.00 0.00 C ATOM 154 C GLU A 70 13.260 -3.106 -14.472 1.00 0.00 C ATOM 155 O GLU A 70 13.006 -1.953 -14.822 1.00 0.00 O ATOM 156 CB GLU A 70 11.310 -2.924 -12.915 1.00 0.00 C ATOM 157 CG GLU A 70 11.678 -1.718 -12.067 1.00 0.00 C ATOM 158 CD GLU A 70 11.755 -2.046 -10.589 1.00 0.00 C ATOM 159 OE1 GLU A 70 11.010 -2.941 -10.139 1.00 0.00 O ATOM 160 OE2 GLU A 70 12.562 -1.407 -9.881 1.00 0.00 O ATOM 0 H GLU A 70 14.214 -3.375 -12.162 1.00 0.00 H new ATOM 0 HA GLU A 70 12.162 -4.751 -13.661 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.796 -2.583 -13.813 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.606 -3.546 -12.362 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.639 -1.325 -12.399 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.941 -0.930 -12.223 1.00 0.00 H new ATOM 167 N PRO A 71 14.204 -3.844 -15.075 1.00 0.00 N ATOM 168 CA PRO A 71 15.007 -3.342 -16.194 1.00 0.00 C ATOM 169 C PRO A 71 14.186 -3.175 -17.468 1.00 0.00 C ATOM 170 O PRO A 71 14.676 -2.653 -18.468 1.00 0.00 O ATOM 171 CB PRO A 71 16.071 -4.426 -16.382 1.00 0.00 C ATOM 172 CG PRO A 71 15.446 -5.667 -15.842 1.00 0.00 C ATOM 173 CD PRO A 71 14.560 -5.225 -14.711 1.00 0.00 C ATOM 0 HA PRO A 71 15.418 -2.353 -15.989 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.337 -4.542 -17.433 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.987 -4.179 -15.846 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.870 -6.181 -16.612 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.205 -6.366 -15.493 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.677 -5.857 -14.622 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.080 -5.267 -13.754 1.00 0.00 H new ATOM 181 N GLU A 72 12.934 -3.622 -17.423 1.00 0.00 N ATOM 182 CA GLU A 72 12.046 -3.521 -18.575 1.00 0.00 C ATOM 183 C GLU A 72 11.453 -2.119 -18.684 1.00 0.00 C ATOM 184 O GLU A 72 10.382 -1.931 -19.260 1.00 0.00 O ATOM 185 CB GLU A 72 10.923 -4.555 -18.473 1.00 0.00 C ATOM 186 CG GLU A 72 11.420 -5.990 -18.413 1.00 0.00 C ATOM 187 CD GLU A 72 12.565 -6.251 -19.372 1.00 0.00 C ATOM 188 OE1 GLU A 72 13.708 -5.861 -19.053 1.00 0.00 O ATOM 189 OE2 GLU A 72 12.318 -6.846 -20.442 1.00 0.00 O ATOM 0 H GLU A 72 12.513 -4.057 -16.602 1.00 0.00 H new ATOM 0 HA GLU A 72 12.633 -3.719 -19.472 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.329 -4.348 -17.583 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.260 -4.445 -19.331 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.743 -6.216 -17.397 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.596 -6.666 -18.644 1.00 0.00 H new ATOM 196 N ILE A 73 12.158 -1.141 -18.126 1.00 0.00 N ATOM 197 CA ILE A 73 11.702 0.244 -18.161 1.00 0.00 C ATOM 198 C ILE A 73 11.402 0.688 -19.589 1.00 0.00 C ATOM 199 O ILE A 73 10.288 1.111 -19.899 1.00 0.00 O ATOM 200 CB ILE A 73 12.746 1.196 -17.548 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.131 0.728 -16.143 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.207 2.618 -17.509 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.098 1.655 -15.441 1.00 0.00 C ATOM 0 H ILE A 73 13.046 -1.281 -17.645 1.00 0.00 H new ATOM 0 HA ILE A 73 10.788 0.290 -17.569 1.00 0.00 H new ATOM 0 HB ILE A 73 13.639 1.184 -18.173 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.228 0.634 -15.540 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.575 -0.265 -16.209 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.956 3.279 -17.073 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.977 2.948 -18.522 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.301 2.647 -16.904 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.326 1.261 -14.451 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.017 1.730 -16.022 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.649 2.643 -15.343 1.00 0.00 H new ATOM 215 N THR A 74 12.404 0.588 -20.457 1.00 0.00 N ATOM 216 CA THR A 74 12.249 0.978 -21.852 1.00 0.00 C ATOM 217 C THR A 74 11.005 0.344 -22.465 1.00 0.00 C ATOM 218 O THR A 74 10.243 1.005 -23.172 1.00 0.00 O ATOM 219 CB THR A 74 13.480 0.579 -22.688 1.00 0.00 C ATOM 220 OG1 THR A 74 14.670 1.100 -22.086 1.00 0.00 O ATOM 221 CG2 THR A 74 13.357 1.097 -24.113 1.00 0.00 C ATOM 0 H THR A 74 13.332 0.240 -20.217 1.00 0.00 H new ATOM 0 HA THR A 74 12.146 2.063 -21.867 1.00 0.00 H new ATOM 0 HB THR A 74 13.535 -0.509 -22.718 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.448 0.841 -22.622 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.238 0.803 -24.684 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.466 0.675 -24.578 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.279 2.184 -24.100 1.00 0.00 H new ATOM 229 N LEU A 75 10.805 -0.940 -22.190 1.00 0.00 N ATOM 230 CA LEU A 75 9.652 -1.664 -22.715 1.00 0.00 C ATOM 231 C LEU A 75 8.351 -0.972 -22.323 1.00 0.00 C ATOM 232 O LEU A 75 7.491 -0.721 -23.168 1.00 0.00 O ATOM 233 CB LEU A 75 9.653 -3.105 -22.201 1.00 0.00 C ATOM 234 CG LEU A 75 10.636 -4.059 -22.879 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.540 -5.448 -22.267 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.378 -4.115 -24.377 1.00 0.00 C ATOM 0 H LEU A 75 11.426 -1.501 -21.607 1.00 0.00 H new ATOM 0 HA LEU A 75 9.723 -1.673 -23.803 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.872 -3.088 -21.133 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.648 -3.511 -22.314 1.00 0.00 H new ATOM 0 HG LEU A 75 11.646 -3.683 -22.719 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.247 -6.113 -22.762 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.776 -5.394 -21.204 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.528 -5.833 -22.395 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.087 -4.799 -24.843 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.362 -4.466 -24.558 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.499 -3.120 -24.805 1.00 0.00 H new ATOM 248 N ILE A 76 8.214 -0.666 -21.037 1.00 0.00 N ATOM 249 CA ILE A 76 7.018 0.000 -20.534 1.00 0.00 C ATOM 250 C ILE A 76 6.764 1.308 -21.276 1.00 0.00 C ATOM 251 O ILE A 76 5.639 1.589 -21.690 1.00 0.00 O ATOM 252 CB ILE A 76 7.129 0.292 -19.026 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.343 -1.008 -18.247 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.883 1.012 -18.533 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.238 -2.021 -18.447 1.00 0.00 C ATOM 0 H ILE A 76 8.916 -0.868 -20.325 1.00 0.00 H new ATOM 0 HA ILE A 76 6.183 -0.680 -20.704 1.00 0.00 H new ATOM 0 HB ILE A 76 7.989 0.940 -18.859 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.291 -1.452 -18.550 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.425 -0.776 -17.185 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.976 1.211 -17.465 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.771 1.954 -19.070 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.008 0.387 -18.710 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.456 -2.917 -17.865 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.290 -1.596 -18.117 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.170 -2.282 -19.503 1.00 0.00 H new ATOM 267 N ILE A 77 7.816 2.101 -21.442 1.00 0.00 N ATOM 268 CA ILE A 77 7.708 3.378 -22.138 1.00 0.00 C ATOM 269 C ILE A 77 7.307 3.178 -23.595 1.00 0.00 C ATOM 270 O ILE A 77 6.374 3.813 -24.087 1.00 0.00 O ATOM 271 CB ILE A 77 9.032 4.163 -22.084 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.376 4.527 -20.638 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.940 5.415 -22.943 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.463 5.577 -20.046 1.00 0.00 C ATOM 0 H ILE A 77 8.753 1.883 -21.104 1.00 0.00 H new ATOM 0 HA ILE A 77 6.935 3.951 -21.627 1.00 0.00 H new ATOM 0 HB ILE A 77 9.828 3.532 -22.479 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.328 3.628 -20.024 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.404 4.886 -20.597 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.883 5.959 -22.895 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.736 5.133 -23.976 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.135 6.051 -22.575 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.765 5.785 -19.020 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.529 6.491 -20.636 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.436 5.213 -20.055 1.00 0.00 H new ATOM 286 N PHE A 78 8.018 2.289 -24.282 1.00 0.00 N ATOM 287 CA PHE A 78 7.736 2.004 -25.684 1.00 0.00 C ATOM 288 C PHE A 78 6.275 1.608 -25.876 1.00 0.00 C ATOM 289 O PHE A 78 5.591 2.126 -26.757 1.00 0.00 O ATOM 290 CB PHE A 78 8.650 0.886 -26.192 1.00 0.00 C ATOM 291 CG PHE A 78 8.270 0.374 -27.552 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.754 0.985 -28.697 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.429 -0.719 -27.685 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.407 0.516 -29.950 1.00 0.00 C ATOM 295 CE2 PHE A 78 7.078 -1.193 -28.935 1.00 0.00 C ATOM 296 CZ PHE A 78 7.567 -0.574 -30.069 1.00 0.00 C ATOM 0 H PHE A 78 8.793 1.754 -23.890 1.00 0.00 H new ATOM 0 HA PHE A 78 7.927 2.910 -26.259 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.676 1.252 -26.224 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.629 0.059 -25.482 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.410 1.838 -28.610 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.043 -1.206 -26.802 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.792 1.001 -30.835 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.422 -2.046 -29.025 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.293 -0.942 -31.047 1.00 0.00 H new ATOM 306 N GLY A 79 5.804 0.685 -25.043 1.00 0.00 N ATOM 307 CA GLY A 79 4.428 0.234 -25.137 1.00 0.00 C ATOM 308 C GLY A 79 3.436 1.376 -25.039 1.00 0.00 C ATOM 309 O GLY A 79 2.592 1.552 -25.918 1.00 0.00 O ATOM 0 H GLY A 79 6.351 0.242 -24.305 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.284 -0.288 -26.083 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.229 -0.485 -24.342 1.00 0.00 H new ATOM 313 N VAL A 80 3.535 2.154 -23.966 1.00 0.00 N ATOM 314 CA VAL A 80 2.639 3.285 -23.757 1.00 0.00 C ATOM 315 C VAL A 80 2.779 4.313 -24.874 1.00 0.00 C ATOM 316 O VAL A 80 1.806 4.958 -25.263 1.00 0.00 O ATOM 317 CB VAL A 80 2.909 3.973 -22.405 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.914 5.099 -22.170 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.857 2.959 -21.272 1.00 0.00 C ATOM 0 H VAL A 80 4.227 2.022 -23.228 1.00 0.00 H new ATOM 0 HA VAL A 80 1.624 2.888 -23.759 1.00 0.00 H new ATOM 0 HB VAL A 80 3.910 4.405 -22.430 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.121 5.573 -21.210 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.005 5.837 -22.966 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.902 4.695 -22.165 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.050 3.462 -20.324 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.871 2.496 -21.243 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.613 2.191 -21.436 1.00 0.00 H new ATOM 329 N MET A 81 3.997 4.459 -25.387 1.00 0.00 N ATOM 330 CA MET A 81 4.264 5.407 -26.462 1.00 0.00 C ATOM 331 C MET A 81 3.535 5.001 -27.738 1.00 0.00 C ATOM 332 O MET A 81 2.904 5.830 -28.394 1.00 0.00 O ATOM 333 CB MET A 81 5.768 5.499 -26.727 1.00 0.00 C ATOM 334 CG MET A 81 6.517 6.331 -25.698 1.00 0.00 C ATOM 335 SD MET A 81 6.592 8.077 -26.139 1.00 0.00 S ATOM 336 CE MET A 81 6.944 8.814 -24.544 1.00 0.00 C ATOM 0 H MET A 81 4.814 3.933 -25.076 1.00 0.00 H new ATOM 0 HA MET A 81 3.897 6.385 -26.151 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.188 4.493 -26.744 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.929 5.928 -27.716 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.031 6.226 -24.728 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.530 5.943 -25.591 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.020 9.896 -24.652 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.141 8.575 -23.847 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.886 8.420 -24.161 1.00 0.00 H new ATOM 346 N ALA A 82 3.625 3.722 -28.085 1.00 0.00 N ATOM 347 CA ALA A 82 2.973 3.207 -29.283 1.00 0.00 C ATOM 348 C ALA A 82 1.455 3.268 -29.150 1.00 0.00 C ATOM 349 O ALA A 82 0.758 3.698 -30.068 1.00 0.00 O ATOM 350 CB ALA A 82 3.423 1.780 -29.557 1.00 0.00 C ATOM 0 H ALA A 82 4.143 3.023 -27.553 1.00 0.00 H new ATOM 0 HA ALA A 82 3.264 3.836 -30.124 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.928 1.408 -30.454 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.503 1.761 -29.704 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.161 1.147 -28.709 1.00 0.00 H new ATOM 356 N GLY A 83 0.948 2.833 -28.000 1.00 0.00 N ATOM 357 CA GLY A 83 -0.485 2.847 -27.768 1.00 0.00 C ATOM 358 C GLY A 83 -1.065 4.247 -27.805 1.00 0.00 C ATOM 359 O GLY A 83 -2.035 4.507 -28.517 1.00 0.00 O ATOM 0 H GLY A 83 1.504 2.471 -27.225 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.978 2.233 -28.522 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.698 2.395 -26.799 1.00 0.00 H new ATOM 363 N VAL A 84 -0.471 5.152 -27.033 1.00 0.00 N ATOM 364 CA VAL A 84 -0.935 6.533 -26.980 1.00 0.00 C ATOM 365 C VAL A 84 -1.010 7.142 -28.375 1.00 0.00 C ATOM 366 O VAL A 84 -2.066 7.609 -28.804 1.00 0.00 O ATOM 367 CB VAL A 84 -0.015 7.401 -26.101 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.345 8.875 -26.276 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.129 6.989 -24.641 1.00 0.00 C ATOM 0 H VAL A 84 0.332 4.953 -26.436 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.933 6.515 -26.541 1.00 0.00 H new ATOM 0 HB VAL A 84 1.016 7.244 -26.419 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.315 9.473 -25.647 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.206 9.158 -27.320 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.381 9.053 -25.987 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.528 7.613 -24.035 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.159 7.114 -24.307 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.162 5.944 -24.534 1.00 0.00 H new ATOM 379 N ILE A 85 0.116 7.134 -29.080 1.00 0.00 N ATOM 380 CA ILE A 85 0.178 7.684 -30.428 1.00 0.00 C ATOM 381 C ILE A 85 -0.862 7.034 -31.335 1.00 0.00 C ATOM 382 O ILE A 85 -1.520 7.708 -32.125 1.00 0.00 O ATOM 383 CB ILE A 85 1.574 7.497 -31.049 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.638 8.169 -30.179 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.605 8.059 -32.463 1.00 0.00 C ATOM 386 CD1 ILE A 85 4.044 7.687 -30.463 1.00 0.00 C ATOM 0 H ILE A 85 0.998 6.752 -28.740 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.032 8.750 -30.344 1.00 0.00 H new ATOM 0 HB ILE A 85 1.793 6.430 -31.098 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.594 9.247 -30.333 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.405 7.988 -29.130 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.599 7.919 -32.888 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.871 7.538 -33.078 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.368 9.123 -32.437 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.745 8.206 -29.810 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.105 6.614 -30.281 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.296 7.893 -31.503 1.00 0.00 H new ATOM 398 N GLY A 86 -1.005 5.717 -31.214 1.00 0.00 N ATOM 399 CA GLY A 86 -1.967 4.998 -32.027 1.00 0.00 C ATOM 400 C GLY A 86 -3.380 5.515 -31.848 1.00 0.00 C ATOM 401 O GLY A 86 -4.064 5.829 -32.823 1.00 0.00 O ATOM 0 H GLY A 86 -0.471 5.136 -30.567 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.684 5.080 -33.076 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.936 3.939 -31.770 1.00 0.00 H new ATOM 405 N THR A 87 -3.822 5.603 -30.597 1.00 0.00 N ATOM 406 CA THR A 87 -5.164 6.084 -30.293 1.00 0.00 C ATOM 407 C THR A 87 -5.392 7.478 -30.865 1.00 0.00 C ATOM 408 O THR A 87 -6.434 7.751 -31.462 1.00 0.00 O ATOM 409 CB THR A 87 -5.418 6.117 -28.774 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.824 4.972 -28.153 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.909 6.146 -28.475 1.00 0.00 C ATOM 0 H THR A 87 -3.270 5.347 -29.778 1.00 0.00 H new ATOM 0 HA THR A 87 -5.862 5.386 -30.756 1.00 0.00 H new ATOM 0 HB THR A 87 -4.965 7.023 -28.372 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.878 4.205 -28.761 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.063 6.169 -27.396 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.353 7.034 -28.924 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.381 5.255 -28.890 1.00 0.00 H new ATOM 419 N ILE A 88 -4.412 8.356 -30.680 1.00 0.00 N ATOM 420 CA ILE A 88 -4.506 9.722 -31.181 1.00 0.00 C ATOM 421 C ILE A 88 -4.812 9.740 -32.675 1.00 0.00 C ATOM 422 O ILE A 88 -5.740 10.415 -33.121 1.00 0.00 O ATOM 423 CB ILE A 88 -3.206 10.506 -30.924 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.899 10.551 -29.426 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.317 11.914 -31.490 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.437 10.785 -29.115 1.00 0.00 C ATOM 0 H ILE A 88 -3.544 8.146 -30.187 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.322 10.201 -30.640 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.385 9.996 -31.428 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.491 11.342 -28.966 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.213 9.612 -28.971 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.391 12.456 -31.301 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.494 11.861 -32.564 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.146 12.434 -31.011 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.293 10.805 -28.035 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.840 9.981 -29.546 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.123 11.738 -29.540 1.00 0.00 H new ATOM 438 N LEU A 89 -4.025 8.994 -33.442 1.00 0.00 N ATOM 439 CA LEU A 89 -4.212 8.922 -34.888 1.00 0.00 C ATOM 440 C LEU A 89 -5.627 8.468 -35.232 1.00 0.00 C ATOM 441 O LEU A 89 -6.334 9.129 -35.994 1.00 0.00 O ATOM 442 CB LEU A 89 -3.192 7.965 -35.506 1.00 0.00 C ATOM 443 CG LEU A 89 -1.763 8.493 -35.628 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.823 7.389 -36.087 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.710 9.674 -36.586 1.00 0.00 C ATOM 0 H LEU A 89 -3.252 8.431 -33.088 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.061 9.920 -35.300 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.171 7.053 -34.909 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.541 7.687 -36.500 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.437 8.834 -34.645 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.190 7.784 -36.168 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.838 6.574 -35.363 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.146 7.017 -37.059 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.685 10.037 -36.660 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.056 9.360 -37.571 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.351 10.473 -36.214 1.00 0.00 H new ATOM 457 N LEU A 90 -6.035 7.339 -34.664 1.00 0.00 N ATOM 458 CA LEU A 90 -7.367 6.797 -34.908 1.00 0.00 C ATOM 459 C LEU A 90 -8.445 7.809 -34.530 1.00 0.00 C ATOM 460 O LEU A 90 -9.338 8.105 -35.324 1.00 0.00 O ATOM 461 CB LEU A 90 -7.567 5.504 -34.117 1.00 0.00 C ATOM 462 CG LEU A 90 -6.612 4.358 -34.453 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.702 3.262 -33.402 1.00 0.00 C ATOM 464 CD2 LEU A 90 -6.914 3.799 -35.836 1.00 0.00 C ATOM 0 H LEU A 90 -5.462 6.781 -34.031 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.454 6.581 -35.973 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.470 5.732 -33.056 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.588 5.158 -34.277 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.594 4.748 -34.455 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.015 2.455 -33.658 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.435 3.670 -32.427 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.720 2.874 -33.367 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.224 2.984 -36.058 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.938 3.425 -35.862 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.797 4.587 -36.580 1.00 0.00 H new ATOM 476 N ILE A 91 -8.351 8.338 -33.315 1.00 0.00 N ATOM 477 CA ILE A 91 -9.316 9.319 -32.833 1.00 0.00 C ATOM 478 C ILE A 91 -9.400 10.515 -33.775 1.00 0.00 C ATOM 479 O ILE A 91 -10.490 10.944 -34.156 1.00 0.00 O ATOM 480 CB ILE A 91 -8.956 9.817 -31.421 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.154 8.698 -30.397 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.796 11.031 -31.057 1.00 0.00 C ATOM 483 CD1 ILE A 91 -10.597 8.273 -30.237 1.00 0.00 C ATOM 0 H ILE A 91 -7.617 8.104 -32.646 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.284 8.818 -32.797 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.906 10.111 -31.412 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.560 7.834 -30.696 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.772 9.029 -29.431 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.530 11.371 -30.056 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.609 11.831 -31.774 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.852 10.763 -31.080 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.662 7.477 -29.496 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.193 9.124 -29.908 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.978 7.911 -31.192 1.00 0.00 H new ATOM 495 N SER A 92 -8.242 11.050 -34.150 1.00 0.00 N ATOM 496 CA SER A 92 -8.185 12.198 -35.047 1.00 0.00 C ATOM 497 C SER A 92 -8.944 11.917 -36.339 1.00 0.00 C ATOM 498 O SER A 92 -9.448 12.833 -36.989 1.00 0.00 O ATOM 499 CB SER A 92 -6.730 12.552 -35.363 1.00 0.00 C ATOM 500 OG SER A 92 -6.647 13.408 -36.490 1.00 0.00 O ATOM 0 H SER A 92 -7.331 10.707 -33.846 1.00 0.00 H new ATOM 0 HA SER A 92 -8.657 13.043 -34.546 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.275 13.037 -34.500 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.163 11.640 -35.552 1.00 0.00 H new ATOM 0 HG SER A 92 -5.708 13.621 -36.671 1.00 0.00 H new ATOM 506 N TYR A 93 -9.021 10.642 -36.707 1.00 0.00 N ATOM 507 CA TYR A 93 -9.716 10.239 -37.923 1.00 0.00 C ATOM 508 C TYR A 93 -11.227 10.368 -37.756 1.00 0.00 C ATOM 509 O TYR A 93 -11.939 10.732 -38.691 1.00 0.00 O ATOM 510 CB TYR A 93 -9.354 8.798 -38.289 1.00 0.00 C ATOM 511 CG TYR A 93 -9.755 8.411 -39.695 1.00 0.00 C ATOM 512 CD1 TYR A 93 -9.332 9.155 -40.789 1.00 0.00 C ATOM 513 CD2 TYR A 93 -10.557 7.300 -39.928 1.00 0.00 C ATOM 514 CE1 TYR A 93 -9.697 8.805 -42.075 1.00 0.00 C ATOM 515 CE2 TYR A 93 -10.925 6.942 -41.210 1.00 0.00 C ATOM 516 CZ TYR A 93 -10.493 7.698 -42.280 1.00 0.00 C ATOM 517 OH TYR A 93 -10.857 7.346 -43.560 1.00 0.00 O ATOM 0 H TYR A 93 -8.611 9.871 -36.180 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.400 10.902 -38.728 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.278 8.663 -38.177 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.836 8.121 -37.583 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.707 10.022 -40.632 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -10.898 6.707 -39.092 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.361 9.395 -42.915 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.548 6.075 -41.374 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.417 6.542 -43.531 1.00 0.00 H new ATOM 527 N GLY A 94 -11.711 10.067 -36.554 1.00 0.00 N ATOM 528 CA GLY A 94 -13.134 10.155 -36.283 1.00 0.00 C ATOM 529 C GLY A 94 -13.657 11.574 -36.388 1.00 0.00 C ATOM 530 O GLY A 94 -14.733 11.807 -36.940 1.00 0.00 O ATOM 0 H GLY A 94 -11.142 9.764 -35.763 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.674 9.519 -36.984 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.335 9.770 -35.283 1.00 0.00 H new ATOM 534 N ILE A 95 -12.895 12.525 -35.857 1.00 0.00 N ATOM 535 CA ILE A 95 -13.289 13.928 -35.894 1.00 0.00 C ATOM 536 C ILE A 95 -13.316 14.454 -37.325 1.00 0.00 C ATOM 537 O ILE A 95 -14.182 15.249 -37.688 1.00 0.00 O ATOM 538 CB ILE A 95 -12.337 14.801 -35.055 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.337 14.338 -33.597 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.739 16.265 -35.151 1.00 0.00 C ATOM 541 CD1 ILE A 95 -11.071 13.615 -33.193 1.00 0.00 C ATOM 0 H ILE A 95 -12.002 12.349 -35.396 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.291 13.986 -35.470 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.327 14.695 -35.450 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.474 15.204 -32.949 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -13.190 13.679 -33.433 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.057 16.870 -34.553 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.693 16.588 -36.191 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.756 16.388 -34.778 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.141 13.316 -32.147 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -10.943 12.730 -33.816 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.216 14.278 -33.324 1.00 0.00 H new ATOM 553 N ARG A 96 -12.362 14.003 -38.133 1.00 0.00 N ATOM 554 CA ARG A 96 -12.277 14.428 -39.525 1.00 0.00 C ATOM 555 C ARG A 96 -13.382 13.786 -40.358 1.00 0.00 C ATOM 556 O ARG A 96 -13.938 14.414 -41.259 1.00 0.00 O ATOM 557 CB ARG A 96 -10.909 14.067 -40.107 1.00 0.00 C ATOM 558 CG ARG A 96 -9.980 15.260 -40.266 1.00 0.00 C ATOM 559 CD ARG A 96 -8.650 14.853 -40.880 1.00 0.00 C ATOM 560 NE ARG A 96 -7.777 16.002 -41.106 1.00 0.00 N ATOM 561 CZ ARG A 96 -7.148 16.650 -40.133 1.00 0.00 C ATOM 562 NH1 ARG A 96 -7.293 16.264 -38.873 1.00 0.00 N ATOM 563 NH2 ARG A 96 -6.370 17.687 -40.419 1.00 0.00 N ATOM 0 H ARG A 96 -11.638 13.344 -37.848 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.404 15.510 -39.557 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.432 13.330 -39.461 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.050 13.595 -41.079 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.457 16.012 -40.894 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.807 15.720 -39.293 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.150 14.142 -40.223 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.829 14.342 -41.826 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.643 16.324 -42.064 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.889 15.467 -38.649 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.808 16.764 -38.128 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.255 17.987 -41.387 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.887 18.184 -39.671 1.00 0.00 H new ATOM 577 N ARG A 97 -13.693 12.531 -40.052 1.00 0.00 N ATOM 578 CA ARG A 97 -14.730 11.803 -40.773 1.00 0.00 C ATOM 579 C ARG A 97 -14.369 11.662 -42.249 1.00 0.00 C ATOM 580 O ARG A 97 -15.246 11.522 -43.103 1.00 0.00 O ATOM 581 CB ARG A 97 -16.076 12.517 -40.632 1.00 0.00 C ATOM 582 CG ARG A 97 -17.225 11.586 -40.277 1.00 0.00 C ATOM 583 CD ARG A 97 -17.659 10.755 -41.474 1.00 0.00 C ATOM 584 NE ARG A 97 -16.795 9.595 -41.677 1.00 0.00 N ATOM 585 CZ ARG A 97 -16.767 8.548 -40.861 1.00 0.00 C ATOM 586 NH1 ARG A 97 -17.551 8.515 -39.792 1.00 0.00 N ATOM 587 NH2 ARG A 97 -15.953 7.530 -41.113 1.00 0.00 N ATOM 0 H ARG A 97 -13.242 11.997 -39.309 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.808 10.806 -40.339 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -15.991 13.285 -39.864 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.308 13.026 -41.568 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -16.922 10.925 -39.465 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.070 12.171 -39.913 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.687 10.421 -41.330 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.648 11.376 -42.370 1.00 0.00 H new ATOM 0 HE ARG A 97 -16.179 9.589 -42.490 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -18.178 9.295 -39.595 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.527 7.709 -39.167 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -15.348 7.552 -41.934 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.932 6.726 -40.485 1.00 0.00 H new ATOM 601 N LEU A 98 -13.074 11.702 -42.542 1.00 0.00 N ATOM 602 CA LEU A 98 -12.596 11.579 -43.915 1.00 0.00 C ATOM 603 C LEU A 98 -12.491 10.114 -44.327 1.00 0.00 C ATOM 604 O LEU A 98 -13.420 9.594 -44.944 1.00 0.00 O ATOM 605 CB LEU A 98 -11.235 12.262 -44.065 1.00 0.00 C ATOM 606 CG LEU A 98 -11.230 13.589 -44.824 1.00 0.00 C ATOM 607 CD1 LEU A 98 -9.833 14.189 -44.840 1.00 0.00 C ATOM 608 CD2 LEU A 98 -11.746 13.395 -46.242 1.00 0.00 C ATOM 0 H LEU A 98 -12.336 11.819 -41.848 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.316 12.070 -44.569 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.826 12.434 -43.070 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.559 11.574 -44.573 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.895 14.282 -44.309 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.849 15.133 -45.385 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.501 14.366 -43.817 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.146 13.499 -45.330 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.735 14.350 -46.767 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.108 12.685 -46.768 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.765 13.011 -46.209 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 27.151 -19.547 -24.535 1.00 0.00 N ATOM 622 CA ARG B 61 26.594 -19.252 -23.221 1.00 0.00 C ATOM 623 C ARG B 61 25.951 -20.495 -22.612 1.00 0.00 C ATOM 624 O ARG B 61 26.380 -20.979 -21.565 1.00 0.00 O ATOM 625 CB ARG B 61 25.562 -18.127 -23.321 1.00 0.00 C ATOM 626 CG ARG B 61 26.116 -16.843 -23.915 1.00 0.00 C ATOM 627 CD ARG B 61 26.627 -15.904 -22.834 1.00 0.00 C ATOM 628 NE ARG B 61 25.543 -15.377 -22.009 1.00 0.00 N ATOM 629 CZ ARG B 61 24.729 -14.403 -22.400 1.00 0.00 C ATOM 630 NH1 ARG B 61 24.875 -13.852 -23.597 1.00 0.00 N ATOM 631 NH2 ARG B 61 23.765 -13.978 -21.592 1.00 0.00 N ATOM 0 HA ARG B 61 27.409 -18.931 -22.572 1.00 0.00 H new ATOM 0 HB2 ARG B 61 24.724 -18.467 -23.930 1.00 0.00 H new ATOM 0 HB3 ARG B 61 25.169 -17.917 -22.326 1.00 0.00 H new ATOM 0 HG2 ARG B 61 26.926 -17.080 -24.605 1.00 0.00 H new ATOM 0 HG3 ARG B 61 25.339 -16.344 -24.494 1.00 0.00 H new ATOM 0 HD2 ARG B 61 27.339 -16.433 -22.201 1.00 0.00 H new ATOM 0 HD3 ARG B 61 27.165 -15.077 -23.297 1.00 0.00 H new ATOM 0 HE ARG B 61 25.403 -15.779 -21.082 1.00 0.00 H new ATOM 0 HH11 ARG B 61 25.614 -14.176 -24.221 1.00 0.00 H new ATOM 0 HH12 ARG B 61 24.248 -13.104 -23.894 1.00 0.00 H new ATOM 0 HH21 ARG B 61 23.649 -14.400 -20.670 1.00 0.00 H new ATOM 0 HH22 ARG B 61 23.140 -13.230 -21.893 1.00 0.00 H new ATOM 645 N VAL B 62 24.918 -21.005 -23.275 1.00 0.00 N ATOM 646 CA VAL B 62 24.215 -22.191 -22.800 1.00 0.00 C ATOM 647 C VAL B 62 23.972 -22.121 -21.296 1.00 0.00 C ATOM 648 O VAL B 62 24.108 -21.061 -20.685 1.00 0.00 O ATOM 649 CB VAL B 62 25.002 -23.476 -23.121 1.00 0.00 C ATOM 650 CG1 VAL B 62 25.362 -23.526 -24.598 1.00 0.00 C ATOM 651 CG2 VAL B 62 26.250 -23.566 -22.257 1.00 0.00 C ATOM 0 H VAL B 62 24.549 -20.615 -24.143 1.00 0.00 H new ATOM 0 HA VAL B 62 23.257 -22.220 -23.319 1.00 0.00 H new ATOM 0 HB VAL B 62 24.369 -24.335 -22.896 1.00 0.00 H new ATOM 0 HG11 VAL B 62 25.918 -24.440 -24.806 1.00 0.00 H new ATOM 0 HG12 VAL B 62 24.450 -23.511 -25.195 1.00 0.00 H new ATOM 0 HG13 VAL B 62 25.976 -22.662 -24.852 1.00 0.00 H new ATOM 0 HG21 VAL B 62 26.794 -24.480 -22.497 1.00 0.00 H new ATOM 0 HG22 VAL B 62 26.888 -22.703 -22.448 1.00 0.00 H new ATOM 0 HG23 VAL B 62 25.964 -23.580 -21.205 1.00 0.00 H new ATOM 661 N GLN B 63 23.612 -23.256 -20.707 1.00 0.00 N ATOM 662 CA GLN B 63 23.349 -23.322 -19.274 1.00 0.00 C ATOM 663 C GLN B 63 22.171 -22.431 -18.895 1.00 0.00 C ATOM 664 O GLN B 63 21.936 -21.396 -19.519 1.00 0.00 O ATOM 665 CB GLN B 63 24.592 -22.906 -18.486 1.00 0.00 C ATOM 666 CG GLN B 63 24.320 -22.640 -17.015 1.00 0.00 C ATOM 667 CD GLN B 63 23.826 -23.871 -16.281 1.00 0.00 C ATOM 668 OE1 GLN B 63 24.074 -25.001 -16.703 1.00 0.00 O ATOM 669 NE2 GLN B 63 23.122 -23.659 -15.175 1.00 0.00 N ATOM 0 H GLN B 63 23.496 -24.142 -21.199 1.00 0.00 H new ATOM 0 HA GLN B 63 23.097 -24.353 -19.024 1.00 0.00 H new ATOM 0 HB2 GLN B 63 25.345 -23.689 -18.572 1.00 0.00 H new ATOM 0 HB3 GLN B 63 25.014 -22.008 -18.937 1.00 0.00 H new ATOM 0 HG2 GLN B 63 25.233 -22.280 -16.540 1.00 0.00 H new ATOM 0 HG3 GLN B 63 23.579 -21.846 -16.924 1.00 0.00 H new ATOM 0 HE21 GLN B 63 22.940 -22.706 -14.861 1.00 0.00 H new ATOM 0 HE22 GLN B 63 22.763 -24.449 -14.639 1.00 0.00 H new ATOM 678 N LEU B 64 21.432 -22.841 -17.869 1.00 0.00 N ATOM 679 CA LEU B 64 20.277 -22.079 -17.406 1.00 0.00 C ATOM 680 C LEU B 64 19.840 -22.542 -16.020 1.00 0.00 C ATOM 681 O LEU B 64 19.732 -23.740 -15.760 1.00 0.00 O ATOM 682 CB LEU B 64 19.117 -22.224 -18.394 1.00 0.00 C ATOM 683 CG LEU B 64 18.643 -23.652 -18.668 1.00 0.00 C ATOM 684 CD1 LEU B 64 17.187 -23.656 -19.104 1.00 0.00 C ATOM 685 CD2 LEU B 64 19.520 -24.312 -19.722 1.00 0.00 C ATOM 0 H LEU B 64 21.612 -23.696 -17.343 1.00 0.00 H new ATOM 0 HA LEU B 64 20.565 -21.030 -17.344 1.00 0.00 H new ATOM 0 HB2 LEU B 64 18.272 -21.648 -18.018 1.00 0.00 H new ATOM 0 HB3 LEU B 64 19.414 -21.773 -19.341 1.00 0.00 H new ATOM 0 HG LEU B 64 18.726 -24.226 -17.745 1.00 0.00 H new ATOM 0 HD11 LEU B 64 16.867 -24.680 -19.295 1.00 0.00 H new ATOM 0 HD12 LEU B 64 16.570 -23.224 -18.316 1.00 0.00 H new ATOM 0 HD13 LEU B 64 17.078 -23.067 -20.014 1.00 0.00 H new ATOM 0 HD21 LEU B 64 19.168 -25.327 -19.904 1.00 0.00 H new ATOM 0 HD22 LEU B 64 19.470 -23.739 -20.648 1.00 0.00 H new ATOM 0 HD23 LEU B 64 20.551 -24.343 -19.370 1.00 0.00 H new ATOM 697 N ALA B 65 19.589 -21.583 -15.134 1.00 0.00 N ATOM 698 CA ALA B 65 19.159 -21.892 -13.776 1.00 0.00 C ATOM 699 C ALA B 65 18.592 -20.656 -13.085 1.00 0.00 C ATOM 700 O ALA B 65 17.376 -20.480 -13.006 1.00 0.00 O ATOM 701 CB ALA B 65 20.319 -22.463 -12.973 1.00 0.00 C ATOM 0 H ALA B 65 19.676 -20.586 -15.333 1.00 0.00 H new ATOM 0 HA ALA B 65 18.367 -22.639 -13.833 1.00 0.00 H new ATOM 0 HB1 ALA B 65 19.984 -22.689 -11.961 1.00 0.00 H new ATOM 0 HB2 ALA B 65 20.677 -23.376 -13.449 1.00 0.00 H new ATOM 0 HB3 ALA B 65 21.128 -21.733 -12.933 1.00 0.00 H new ATOM 707 N HIS B 66 19.481 -19.803 -12.586 1.00 0.00 N ATOM 708 CA HIS B 66 19.069 -18.583 -11.901 1.00 0.00 C ATOM 709 C HIS B 66 18.401 -17.614 -12.872 1.00 0.00 C ATOM 710 O HIS B 66 19.068 -16.983 -13.693 1.00 0.00 O ATOM 711 CB HIS B 66 20.273 -17.912 -11.240 1.00 0.00 C ATOM 712 CG HIS B 66 21.183 -18.872 -10.537 1.00 0.00 C ATOM 713 ND1 HIS B 66 22.552 -18.868 -10.701 1.00 0.00 N ATOM 714 CD2 HIS B 66 20.912 -19.869 -9.663 1.00 0.00 C ATOM 715 CE1 HIS B 66 23.084 -19.822 -9.959 1.00 0.00 C ATOM 716 NE2 HIS B 66 22.111 -20.444 -9.318 1.00 0.00 N ATOM 0 H HIS B 66 20.491 -19.934 -12.643 1.00 0.00 H new ATOM 0 HA HIS B 66 18.347 -18.854 -11.131 1.00 0.00 H new ATOM 0 HB2 HIS B 66 20.842 -17.375 -11.999 1.00 0.00 H new ATOM 0 HB3 HIS B 66 19.918 -17.171 -10.524 1.00 0.00 H new ATOM 0 HD2 HIS B 66 19.936 -20.159 -9.304 1.00 0.00 H new ATOM 0 HE1 HIS B 66 24.136 -20.054 -9.888 1.00 0.00 H new ATOM 0 HE2 HIS B 66 22.230 -21.224 -8.672 1.00 0.00 H new ATOM 724 N HIS B 67 17.080 -17.502 -12.774 1.00 0.00 N ATOM 725 CA HIS B 67 16.322 -16.610 -13.644 1.00 0.00 C ATOM 726 C HIS B 67 14.833 -16.667 -13.316 1.00 0.00 C ATOM 727 O HIS B 67 14.107 -17.523 -13.822 1.00 0.00 O ATOM 728 CB HIS B 67 16.547 -16.981 -15.110 1.00 0.00 C ATOM 729 CG HIS B 67 16.837 -15.802 -15.988 1.00 0.00 C ATOM 730 ND1 HIS B 67 16.371 -15.694 -17.281 1.00 0.00 N ATOM 731 CD2 HIS B 67 17.550 -14.676 -15.751 1.00 0.00 C ATOM 732 CE1 HIS B 67 16.786 -14.553 -17.802 1.00 0.00 C ATOM 733 NE2 HIS B 67 17.503 -13.916 -16.894 1.00 0.00 N ATOM 0 H HIS B 67 16.513 -18.018 -12.101 1.00 0.00 H new ATOM 0 HA HIS B 67 16.675 -15.592 -13.476 1.00 0.00 H new ATOM 0 HB2 HIS B 67 17.377 -17.685 -15.175 1.00 0.00 H new ATOM 0 HB3 HIS B 67 15.663 -17.495 -15.486 1.00 0.00 H new ATOM 0 HD2 HIS B 67 18.061 -14.422 -14.834 1.00 0.00 H new ATOM 0 HE1 HIS B 67 16.575 -14.201 -18.801 1.00 0.00 H new ATOM 0 HE2 HIS B 67 17.949 -13.008 -17.021 1.00 0.00 H new ATOM 741 N PHE B 68 14.384 -15.750 -12.465 1.00 0.00 N ATOM 742 CA PHE B 68 12.982 -15.697 -12.068 1.00 0.00 C ATOM 743 C PHE B 68 12.090 -15.370 -13.262 1.00 0.00 C ATOM 744 O PHE B 68 12.577 -15.023 -14.338 1.00 0.00 O ATOM 745 CB PHE B 68 12.781 -14.655 -10.966 1.00 0.00 C ATOM 746 CG PHE B 68 13.482 -13.354 -11.236 1.00 0.00 C ATOM 747 CD1 PHE B 68 13.113 -12.563 -12.312 1.00 0.00 C ATOM 748 CD2 PHE B 68 14.511 -12.923 -10.415 1.00 0.00 C ATOM 749 CE1 PHE B 68 13.756 -11.366 -12.564 1.00 0.00 C ATOM 750 CE2 PHE B 68 15.158 -11.727 -10.661 1.00 0.00 C ATOM 751 CZ PHE B 68 14.780 -10.948 -11.737 1.00 0.00 C ATOM 0 H PHE B 68 14.971 -15.034 -12.037 1.00 0.00 H new ATOM 0 HA PHE B 68 12.701 -16.679 -11.686 1.00 0.00 H new ATOM 0 HB2 PHE B 68 11.714 -14.466 -10.846 1.00 0.00 H new ATOM 0 HB3 PHE B 68 13.140 -15.063 -10.021 1.00 0.00 H new ATOM 0 HD1 PHE B 68 12.313 -12.886 -12.962 1.00 0.00 H new ATOM 0 HD2 PHE B 68 14.811 -13.529 -9.573 1.00 0.00 H new ATOM 0 HE1 PHE B 68 13.458 -10.759 -13.406 1.00 0.00 H new ATOM 0 HE2 PHE B 68 15.958 -11.402 -10.013 1.00 0.00 H new ATOM 0 HZ PHE B 68 15.285 -10.013 -11.931 1.00 0.00 H new ATOM 761 N SER B 69 10.781 -15.484 -13.064 1.00 0.00 N ATOM 762 CA SER B 69 9.820 -15.205 -14.125 1.00 0.00 C ATOM 763 C SER B 69 10.008 -13.792 -14.670 1.00 0.00 C ATOM 764 O SER B 69 10.207 -12.844 -13.912 1.00 0.00 O ATOM 765 CB SER B 69 8.391 -15.376 -13.606 1.00 0.00 C ATOM 766 OG SER B 69 7.741 -14.124 -13.477 1.00 0.00 O ATOM 0 H SER B 69 10.361 -15.768 -12.179 1.00 0.00 H new ATOM 0 HA SER B 69 9.993 -15.915 -14.934 1.00 0.00 H new ATOM 0 HB2 SER B 69 7.827 -16.013 -14.287 1.00 0.00 H new ATOM 0 HB3 SER B 69 8.410 -15.881 -12.640 1.00 0.00 H new ATOM 0 HG SER B 69 6.829 -14.261 -13.145 1.00 0.00 H new ATOM 772 N GLU B 70 9.944 -13.662 -15.992 1.00 0.00 N ATOM 773 CA GLU B 70 10.109 -12.366 -16.640 1.00 0.00 C ATOM 774 C GLU B 70 9.112 -12.199 -17.783 1.00 0.00 C ATOM 775 O GLU B 70 9.463 -12.265 -18.961 1.00 0.00 O ATOM 776 CB GLU B 70 11.537 -12.212 -17.167 1.00 0.00 C ATOM 777 CG GLU B 70 12.018 -13.405 -17.976 1.00 0.00 C ATOM 778 CD GLU B 70 12.718 -14.445 -17.122 1.00 0.00 C ATOM 779 OE1 GLU B 70 13.795 -14.133 -16.573 1.00 0.00 O ATOM 780 OE2 GLU B 70 12.188 -15.569 -17.003 1.00 0.00 O ATOM 0 H GLU B 70 9.779 -14.437 -16.634 1.00 0.00 H new ATOM 0 HA GLU B 70 9.918 -11.591 -15.898 1.00 0.00 H new ATOM 0 HB2 GLU B 70 11.592 -11.317 -17.787 1.00 0.00 H new ATOM 0 HB3 GLU B 70 12.212 -12.059 -16.325 1.00 0.00 H new ATOM 0 HG2 GLU B 70 11.167 -13.866 -18.478 1.00 0.00 H new ATOM 0 HG3 GLU B 70 12.699 -13.061 -18.754 1.00 0.00 H new ATOM 787 N PRO B 71 7.837 -11.977 -17.428 1.00 0.00 N ATOM 788 CA PRO B 71 6.763 -11.795 -18.408 1.00 0.00 C ATOM 789 C PRO B 71 6.884 -10.477 -19.165 1.00 0.00 C ATOM 790 O PRO B 71 6.181 -9.513 -18.866 1.00 0.00 O ATOM 791 CB PRO B 71 5.495 -11.805 -17.551 1.00 0.00 C ATOM 792 CG PRO B 71 5.946 -11.362 -16.202 1.00 0.00 C ATOM 793 CD PRO B 71 7.347 -11.885 -16.042 1.00 0.00 C ATOM 0 HA PRO B 71 6.780 -12.566 -19.178 1.00 0.00 H new ATOM 0 HB2 PRO B 71 4.738 -11.133 -17.956 1.00 0.00 H new ATOM 0 HB3 PRO B 71 5.051 -12.800 -17.513 1.00 0.00 H new ATOM 0 HG2 PRO B 71 5.923 -10.275 -16.120 1.00 0.00 H new ATOM 0 HG3 PRO B 71 5.292 -11.754 -15.423 1.00 0.00 H new ATOM 0 HD2 PRO B 71 7.961 -11.213 -15.443 1.00 0.00 H new ATOM 0 HD3 PRO B 71 7.359 -12.856 -15.546 1.00 0.00 H new ATOM 801 N GLU B 72 7.781 -10.443 -20.145 1.00 0.00 N ATOM 802 CA GLU B 72 7.994 -9.242 -20.944 1.00 0.00 C ATOM 803 C GLU B 72 6.729 -8.866 -21.710 1.00 0.00 C ATOM 804 O GLU B 72 6.320 -7.705 -21.723 1.00 0.00 O ATOM 805 CB GLU B 72 9.153 -9.451 -21.921 1.00 0.00 C ATOM 806 CG GLU B 72 10.444 -9.888 -21.251 1.00 0.00 C ATOM 807 CD GLU B 72 11.575 -10.091 -22.239 1.00 0.00 C ATOM 808 OE1 GLU B 72 11.559 -11.113 -22.957 1.00 0.00 O ATOM 809 OE2 GLU B 72 12.477 -9.229 -22.296 1.00 0.00 O ATOM 0 H GLU B 72 8.372 -11.233 -20.405 1.00 0.00 H new ATOM 0 HA GLU B 72 8.243 -8.425 -20.266 1.00 0.00 H new ATOM 0 HB2 GLU B 72 8.865 -10.200 -22.658 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.332 -8.523 -22.463 1.00 0.00 H new ATOM 0 HG2 GLU B 72 10.739 -9.139 -20.516 1.00 0.00 H new ATOM 0 HG3 GLU B 72 10.270 -10.817 -20.708 1.00 0.00 H new ATOM 816 N ILE B 73 6.115 -9.857 -22.348 1.00 0.00 N ATOM 817 CA ILE B 73 4.897 -9.632 -23.116 1.00 0.00 C ATOM 818 C ILE B 73 3.869 -8.854 -22.301 1.00 0.00 C ATOM 819 O ILE B 73 3.367 -7.818 -22.738 1.00 0.00 O ATOM 820 CB ILE B 73 4.270 -10.960 -23.580 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.288 -11.779 -24.375 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.026 -10.695 -24.415 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.837 -11.053 -25.584 1.00 0.00 C ATOM 0 H ILE B 73 6.441 -10.823 -22.348 1.00 0.00 H new ATOM 0 HA ILE B 73 5.180 -9.048 -23.992 1.00 0.00 H new ATOM 0 HB ILE B 73 3.978 -11.534 -22.701 1.00 0.00 H new ATOM 0 HG12 ILE B 73 6.115 -12.052 -23.719 1.00 0.00 H new ATOM 0 HG13 ILE B 73 4.820 -12.708 -24.701 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.594 -11.643 -24.736 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.297 -10.148 -23.818 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.295 -10.104 -25.291 1.00 0.00 H new ATOM 0 HD11 ILE B 73 6.553 -11.694 -26.099 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.020 -10.804 -26.261 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.335 -10.138 -25.264 1.00 0.00 H new ATOM 835 N THR B 74 3.560 -9.360 -21.111 1.00 0.00 N ATOM 836 CA THR B 74 2.593 -8.714 -20.233 1.00 0.00 C ATOM 837 C THR B 74 2.897 -7.228 -20.080 1.00 0.00 C ATOM 838 O THR B 74 2.004 -6.387 -20.190 1.00 0.00 O ATOM 839 CB THR B 74 2.574 -9.369 -18.839 1.00 0.00 C ATOM 840 OG1 THR B 74 2.255 -10.759 -18.955 1.00 0.00 O ATOM 841 CG2 THR B 74 1.562 -8.684 -17.933 1.00 0.00 C ATOM 0 H THR B 74 3.966 -10.216 -20.733 1.00 0.00 H new ATOM 0 HA THR B 74 1.614 -8.836 -20.697 1.00 0.00 H new ATOM 0 HB THR B 74 3.565 -9.260 -18.397 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.247 -11.168 -18.065 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.567 -9.164 -16.954 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.826 -7.632 -17.823 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.568 -8.765 -18.372 1.00 0.00 H new ATOM 849 N LEU B 75 4.161 -6.910 -19.826 1.00 0.00 N ATOM 850 CA LEU B 75 4.583 -5.524 -19.658 1.00 0.00 C ATOM 851 C LEU B 75 4.213 -4.691 -20.881 1.00 0.00 C ATOM 852 O LEU B 75 3.633 -3.612 -20.756 1.00 0.00 O ATOM 853 CB LEU B 75 6.092 -5.455 -19.417 1.00 0.00 C ATOM 854 CG LEU B 75 6.594 -6.086 -18.118 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.115 -6.094 -18.082 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.034 -5.345 -16.914 1.00 0.00 C ATOM 0 H LEU B 75 4.912 -7.594 -19.732 1.00 0.00 H new ATOM 0 HA LEU B 75 4.064 -5.114 -18.791 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.596 -5.942 -20.252 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.394 -4.408 -19.429 1.00 0.00 H new ATOM 0 HG LEU B 75 6.245 -7.118 -18.079 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.455 -6.547 -17.150 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.496 -6.670 -18.925 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.486 -5.071 -18.145 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.402 -5.808 -15.998 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.353 -4.303 -16.947 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.945 -5.392 -16.932 1.00 0.00 H new ATOM 868 N ILE B 76 4.550 -5.199 -22.061 1.00 0.00 N ATOM 869 CA ILE B 76 4.250 -4.503 -23.306 1.00 0.00 C ATOM 870 C ILE B 76 2.759 -4.207 -23.425 1.00 0.00 C ATOM 871 O ILE B 76 2.363 -3.096 -23.779 1.00 0.00 O ATOM 872 CB ILE B 76 4.699 -5.322 -24.531 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.174 -5.709 -24.401 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.463 -4.534 -25.811 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.113 -4.523 -24.419 1.00 0.00 C ATOM 0 H ILE B 76 5.031 -6.090 -22.181 1.00 0.00 H new ATOM 0 HA ILE B 76 4.804 -3.564 -23.284 1.00 0.00 H new ATOM 0 HB ILE B 76 4.106 -6.235 -24.576 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.316 -6.261 -23.472 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.438 -6.383 -25.216 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.785 -5.126 -26.667 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.402 -4.305 -25.907 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.033 -3.605 -25.777 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.141 -4.872 -24.323 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.999 -3.983 -25.359 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.876 -3.859 -23.588 1.00 0.00 H new ATOM 887 N ILE B 77 1.937 -5.207 -23.125 1.00 0.00 N ATOM 888 CA ILE B 77 0.490 -5.053 -23.195 1.00 0.00 C ATOM 889 C ILE B 77 -0.004 -4.027 -22.180 1.00 0.00 C ATOM 890 O ILE B 77 -0.753 -3.111 -22.521 1.00 0.00 O ATOM 891 CB ILE B 77 -0.232 -6.391 -22.948 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.222 -7.436 -23.969 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.740 -6.199 -23.013 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.564 -8.726 -23.904 1.00 0.00 C ATOM 0 H ILE B 77 2.249 -6.133 -22.831 1.00 0.00 H new ATOM 0 HA ILE B 77 0.259 -4.705 -24.202 1.00 0.00 H new ATOM 0 HB ILE B 77 0.026 -6.748 -21.951 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.133 -7.016 -24.971 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.278 -7.655 -23.808 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.236 -7.153 -22.837 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.049 -5.483 -22.251 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.017 -5.823 -23.998 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.188 -9.420 -24.656 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.455 -9.169 -22.914 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.617 -8.520 -24.095 1.00 0.00 H new ATOM 906 N PHE B 78 0.423 -4.186 -20.932 1.00 0.00 N ATOM 907 CA PHE B 78 0.026 -3.273 -19.866 1.00 0.00 C ATOM 908 C PHE B 78 0.344 -1.828 -20.240 1.00 0.00 C ATOM 909 O PHE B 78 -0.498 -0.941 -20.108 1.00 0.00 O ATOM 910 CB PHE B 78 0.733 -3.641 -18.560 1.00 0.00 C ATOM 911 CG PHE B 78 0.583 -2.604 -17.484 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.491 -2.642 -16.610 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.517 -1.589 -17.347 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.631 -1.689 -15.619 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.382 -0.634 -16.358 1.00 0.00 C ATOM 916 CZ PHE B 78 0.306 -0.683 -15.494 1.00 0.00 C ATOM 0 H PHE B 78 1.044 -4.938 -20.634 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.051 -3.365 -19.726 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.337 -4.590 -18.197 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.793 -3.794 -18.761 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.228 -3.426 -16.704 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.360 -1.544 -18.021 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.472 -1.731 -14.943 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.118 0.151 -16.261 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.198 0.064 -14.722 1.00 0.00 H new ATOM 926 N GLY B 79 1.568 -1.600 -20.708 1.00 0.00 N ATOM 927 CA GLY B 79 1.977 -0.263 -21.094 1.00 0.00 C ATOM 928 C GLY B 79 1.059 0.347 -22.134 1.00 0.00 C ATOM 929 O GLY B 79 0.522 1.437 -21.937 1.00 0.00 O ATOM 0 H GLY B 79 2.283 -2.318 -20.826 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.997 0.376 -20.212 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.993 -0.296 -21.486 1.00 0.00 H new ATOM 933 N VAL B 80 0.879 -0.356 -23.248 1.00 0.00 N ATOM 934 CA VAL B 80 0.020 0.123 -24.325 1.00 0.00 C ATOM 935 C VAL B 80 -1.419 0.286 -23.848 1.00 0.00 C ATOM 936 O VAL B 80 -2.133 1.183 -24.295 1.00 0.00 O ATOM 937 CB VAL B 80 0.045 -0.836 -25.530 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.795 -0.281 -26.671 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.476 -1.085 -25.983 1.00 0.00 C ATOM 0 H VAL B 80 1.317 -1.259 -23.428 1.00 0.00 H new ATOM 0 HA VAL B 80 0.409 1.093 -24.634 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.386 -1.789 -25.223 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.766 -0.972 -27.514 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.826 -0.158 -26.338 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.396 0.685 -26.980 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.475 -1.765 -26.835 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.935 -0.140 -26.273 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.044 -1.529 -25.166 1.00 0.00 H new ATOM 949 N MET B 81 -1.837 -0.587 -22.937 1.00 0.00 N ATOM 950 CA MET B 81 -3.191 -0.538 -22.399 1.00 0.00 C ATOM 951 C MET B 81 -3.411 0.740 -21.595 1.00 0.00 C ATOM 952 O MET B 81 -4.425 1.419 -21.755 1.00 0.00 O ATOM 953 CB MET B 81 -3.457 -1.760 -21.518 1.00 0.00 C ATOM 954 CG MET B 81 -3.730 -3.030 -22.307 1.00 0.00 C ATOM 955 SD MET B 81 -5.475 -3.233 -22.716 1.00 0.00 S ATOM 956 CE MET B 81 -5.830 -4.797 -21.918 1.00 0.00 C ATOM 0 H MET B 81 -1.258 -1.336 -22.557 1.00 0.00 H new ATOM 0 HA MET B 81 -3.888 -0.544 -23.237 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.597 -1.923 -20.868 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.310 -1.553 -20.872 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.145 -3.015 -23.226 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.394 -3.891 -21.730 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.875 -5.060 -22.081 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.191 -5.573 -22.338 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.640 -4.711 -20.848 1.00 0.00 H new ATOM 966 N ALA B 82 -2.454 1.061 -20.730 1.00 0.00 N ATOM 967 CA ALA B 82 -2.543 2.258 -19.903 1.00 0.00 C ATOM 968 C ALA B 82 -2.473 3.521 -20.755 1.00 0.00 C ATOM 969 O ALA B 82 -3.254 4.452 -20.566 1.00 0.00 O ATOM 970 CB ALA B 82 -1.435 2.262 -18.859 1.00 0.00 C ATOM 0 H ALA B 82 -1.609 0.509 -20.584 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.507 2.247 -19.395 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.514 3.162 -18.249 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.531 1.382 -18.223 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.466 2.245 -19.357 1.00 0.00 H new ATOM 976 N GLY B 83 -1.532 3.544 -21.694 1.00 0.00 N ATOM 977 CA GLY B 83 -1.378 4.698 -22.561 1.00 0.00 C ATOM 978 C GLY B 83 -2.605 4.949 -23.415 1.00 0.00 C ATOM 979 O GLY B 83 -3.135 6.060 -23.442 1.00 0.00 O ATOM 0 H GLY B 83 -0.874 2.785 -21.870 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.175 5.580 -21.954 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.513 4.550 -23.208 1.00 0.00 H new ATOM 983 N VAL B 84 -3.057 3.915 -24.118 1.00 0.00 N ATOM 984 CA VAL B 84 -4.228 4.029 -24.978 1.00 0.00 C ATOM 985 C VAL B 84 -5.422 4.584 -24.210 1.00 0.00 C ATOM 986 O VAL B 84 -5.995 5.607 -24.588 1.00 0.00 O ATOM 987 CB VAL B 84 -4.612 2.667 -25.587 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.976 2.746 -26.255 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.550 2.209 -26.576 1.00 0.00 C ATOM 0 H VAL B 84 -2.629 2.989 -24.108 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.965 4.717 -25.781 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.670 1.932 -24.784 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.230 1.775 -26.679 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.727 3.027 -25.517 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.950 3.493 -27.048 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.836 1.245 -26.997 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.458 2.942 -27.377 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.593 2.111 -26.063 1.00 0.00 H new ATOM 999 N ILE B 85 -5.792 3.904 -23.130 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.918 4.331 -22.308 1.00 0.00 C ATOM 1001 C ILE B 85 -6.735 5.766 -21.828 1.00 0.00 C ATOM 1002 O ILE B 85 -7.677 6.557 -21.829 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.101 3.412 -21.085 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.328 1.967 -21.535 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.263 3.895 -20.230 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -7.102 0.951 -20.438 1.00 0.00 C ATOM 0 H ILE B 85 -5.329 3.056 -22.804 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.808 4.271 -22.935 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.193 3.447 -20.483 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -8.347 1.867 -21.908 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -6.661 1.745 -22.368 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.380 3.236 -19.370 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -8.064 4.910 -19.885 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.178 3.886 -20.822 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -7.281 -0.051 -20.828 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -6.075 1.024 -20.081 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -7.788 1.147 -19.614 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.513 6.097 -21.420 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.228 7.439 -20.945 1.00 0.00 C ATOM 1020 C GLY B 86 -5.538 8.499 -21.982 1.00 0.00 C ATOM 1021 O GLY B 86 -6.251 9.464 -21.702 1.00 0.00 O ATOM 0 H GLY B 86 -4.716 5.460 -21.410 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.811 7.634 -20.045 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.177 7.506 -20.664 1.00 0.00 H new ATOM 1025 N THR B 87 -5.000 8.324 -23.185 1.00 0.00 N ATOM 1026 CA THR B 87 -5.221 9.275 -24.267 1.00 0.00 C ATOM 1027 C THR B 87 -6.709 9.453 -24.547 1.00 0.00 C ATOM 1028 O THR B 87 -7.187 10.575 -24.723 1.00 0.00 O ATOM 1029 CB THR B 87 -4.517 8.826 -25.562 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.255 8.225 -25.250 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.305 10.006 -26.499 1.00 0.00 C ATOM 0 H THR B 87 -4.408 7.532 -23.434 1.00 0.00 H new ATOM 0 HA THR B 87 -4.798 10.226 -23.943 1.00 0.00 H new ATOM 0 HB THR B 87 -5.153 8.095 -26.062 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.835 8.712 -24.511 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.806 9.665 -27.406 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.269 10.443 -26.757 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.687 10.756 -26.005 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.436 8.342 -24.586 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.871 8.377 -24.843 1.00 0.00 C ATOM 1041 C ILE B 88 -9.583 9.297 -23.857 1.00 0.00 C ATOM 1042 O ILE B 88 -10.350 10.176 -24.253 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.493 6.971 -24.758 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.838 6.038 -25.779 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.995 7.042 -24.984 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.955 4.573 -25.420 1.00 0.00 C ATOM 0 H ILE B 88 -7.056 7.406 -24.443 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.001 8.762 -25.855 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.315 6.570 -23.760 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.295 6.202 -26.755 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.784 6.298 -25.873 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.420 6.040 -24.921 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.448 7.677 -24.223 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.195 7.460 -25.971 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.469 3.970 -26.187 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.473 4.394 -24.459 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -10.008 4.297 -25.355 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.325 9.089 -22.570 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.940 9.900 -21.526 1.00 0.00 C ATOM 1060 C LEU B 89 -9.643 11.381 -21.740 1.00 0.00 C ATOM 1061 O LEU B 89 -10.555 12.208 -21.786 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.437 9.462 -20.149 1.00 0.00 C ATOM 1063 CG LEU B 89 -10.023 8.159 -19.604 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.196 7.650 -18.434 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.473 8.361 -19.187 1.00 0.00 C ATOM 0 H LEU B 89 -8.694 8.366 -22.225 1.00 0.00 H new ATOM 0 HA LEU B 89 -11.019 9.754 -21.576 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.353 9.358 -20.197 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.650 10.259 -19.436 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.994 7.410 -20.395 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.628 6.722 -18.059 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.173 7.467 -18.764 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -9.193 8.396 -17.639 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.875 7.424 -18.802 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.525 9.125 -18.411 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -12.059 8.679 -20.049 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.362 11.709 -21.873 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.944 13.090 -22.086 1.00 0.00 C ATOM 1079 C LEU B 90 -8.604 13.673 -23.331 1.00 0.00 C ATOM 1080 O LEU B 90 -9.179 14.761 -23.289 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.422 13.169 -22.217 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.623 12.867 -20.949 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.205 12.443 -21.299 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.607 14.079 -20.028 1.00 0.00 C ATOM 0 H LEU B 90 -7.595 11.037 -21.837 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.259 13.676 -21.222 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.108 12.473 -22.995 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.158 14.170 -22.559 1.00 0.00 H new ATOM 0 HG LEU B 90 -6.107 12.043 -20.425 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.652 12.232 -20.384 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.236 11.547 -21.919 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.710 13.245 -21.846 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -5.034 13.846 -19.130 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -5.147 14.922 -20.544 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.629 14.338 -19.749 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.519 12.942 -24.437 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.111 13.385 -25.693 1.00 0.00 C ATOM 1098 C ILE B 91 -10.593 13.700 -25.522 1.00 0.00 C ATOM 1099 O ILE B 91 -11.070 14.749 -25.955 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.947 12.324 -26.798 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.468 12.141 -27.144 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.742 12.720 -28.034 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.149 10.785 -27.733 1.00 0.00 C ATOM 0 H ILE B 91 -8.046 12.040 -24.489 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.582 14.291 -25.989 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.334 11.374 -26.430 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -7.170 12.915 -27.852 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.872 12.286 -26.243 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.616 11.961 -28.806 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.798 12.804 -27.776 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.382 13.679 -28.406 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -6.083 10.726 -27.954 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.415 10.006 -27.018 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.718 10.644 -28.652 1.00 0.00 H new ATOM 1115 N SER B 92 -11.317 12.785 -24.884 1.00 0.00 N ATOM 1116 CA SER B 92 -12.746 12.964 -24.657 1.00 0.00 C ATOM 1117 C SER B 92 -13.021 14.278 -23.932 1.00 0.00 C ATOM 1118 O SER B 92 -14.078 14.885 -24.102 1.00 0.00 O ATOM 1119 CB SER B 92 -13.305 11.794 -23.844 1.00 0.00 C ATOM 1120 OG SER B 92 -14.678 11.987 -23.551 1.00 0.00 O ATOM 0 H SER B 92 -10.937 11.913 -24.516 1.00 0.00 H new ATOM 0 HA SER B 92 -13.242 12.994 -25.627 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.176 10.866 -24.400 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.743 11.690 -22.916 1.00 0.00 H new ATOM 0 HG SER B 92 -15.012 11.226 -23.032 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.060 14.711 -23.123 1.00 0.00 N ATOM 1127 CA TYR B 93 -12.198 15.952 -22.369 1.00 0.00 C ATOM 1128 C TYR B 93 -12.082 17.164 -23.289 1.00 0.00 C ATOM 1129 O TYR B 93 -12.772 18.166 -23.105 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.136 16.027 -21.271 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.443 17.049 -20.200 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.509 16.871 -19.327 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.667 18.193 -20.062 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.793 17.802 -18.348 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -10.943 19.130 -19.084 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.008 18.930 -18.230 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.287 19.860 -17.255 1.00 0.00 O ATOM 0 H TYR B 93 -11.178 14.222 -22.973 1.00 0.00 H new ATOM 0 HA TYR B 93 -13.187 15.961 -21.910 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -11.035 15.046 -20.807 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.174 16.266 -21.724 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -13.126 15.989 -19.416 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.834 18.353 -20.730 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.626 17.648 -17.678 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -10.329 20.013 -18.989 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.639 20.593 -17.307 1.00 0.00 H new ATOM 1147 N GLY B 94 -11.202 17.064 -24.281 1.00 0.00 N ATOM 1148 CA GLY B 94 -11.010 18.157 -25.216 1.00 0.00 C ATOM 1149 C GLY B 94 -12.248 18.433 -26.047 1.00 0.00 C ATOM 1150 O GLY B 94 -12.563 19.587 -26.337 1.00 0.00 O ATOM 0 H GLY B 94 -10.619 16.245 -24.454 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.737 19.058 -24.666 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -10.176 17.923 -25.878 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.949 17.372 -26.432 1.00 0.00 N ATOM 1155 CA ILE B 95 -14.158 17.506 -27.235 1.00 0.00 C ATOM 1156 C ILE B 95 -15.258 18.221 -26.457 1.00 0.00 C ATOM 1157 O ILE B 95 -16.085 18.924 -27.037 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.681 16.134 -27.698 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.618 15.413 -28.529 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.964 16.299 -28.498 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.252 16.140 -29.804 1.00 0.00 C ATOM 0 H ILE B 95 -12.700 16.410 -26.201 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.892 18.098 -28.110 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.900 15.529 -26.818 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.721 15.284 -27.924 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.979 14.416 -28.780 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.321 15.320 -28.818 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.722 16.776 -27.876 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.770 16.919 -29.373 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.493 15.571 -30.342 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -14.138 16.246 -30.430 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -12.860 17.127 -29.560 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.259 18.037 -25.141 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.257 18.665 -24.283 1.00 0.00 C ATOM 1175 C ARG B 96 -15.983 20.159 -24.134 1.00 0.00 C ATOM 1176 O ARG B 96 -16.904 20.952 -23.937 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.269 17.998 -22.906 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.430 17.037 -22.706 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.249 16.200 -21.449 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.022 14.962 -21.500 1.00 0.00 N ATOM 1181 CZ ARG B 96 -17.823 13.937 -20.680 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -16.881 14.001 -19.749 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -18.567 12.843 -20.789 1.00 0.00 N ATOM 0 H ARG B 96 -14.580 17.459 -24.646 1.00 0.00 H new ATOM 0 HA ARG B 96 -17.234 18.537 -24.750 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.333 17.458 -22.765 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -16.311 18.770 -22.138 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.362 17.599 -22.640 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.514 16.381 -23.572 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -16.193 15.963 -21.320 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -17.553 16.782 -20.579 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.755 14.880 -22.204 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -16.307 14.839 -19.661 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -16.731 13.212 -19.121 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -19.293 12.789 -21.504 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -18.413 12.056 -20.158 1.00 0.00 H new ATOM 1197 N ARG B 97 -14.712 20.534 -24.228 1.00 0.00 N ATOM 1198 CA ARG B 97 -14.317 21.932 -24.101 1.00 0.00 C ATOM 1199 C ARG B 97 -14.705 22.485 -22.733 1.00 0.00 C ATOM 1200 O ARG B 97 -14.903 23.690 -22.572 1.00 0.00 O ATOM 1201 CB ARG B 97 -14.966 22.769 -25.205 1.00 0.00 C ATOM 1202 CG ARG B 97 -14.002 23.722 -25.893 1.00 0.00 C ATOM 1203 CD ARG B 97 -13.451 24.755 -24.922 1.00 0.00 C ATOM 1204 NE ARG B 97 -14.456 25.747 -24.551 1.00 0.00 N ATOM 1205 CZ ARG B 97 -14.789 26.779 -25.318 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -14.200 26.952 -26.493 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -15.713 27.640 -24.911 1.00 0.00 N ATOM 0 H ARG B 97 -13.938 19.890 -24.392 1.00 0.00 H new ATOM 0 HA ARG B 97 -13.233 21.988 -24.201 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -15.397 22.101 -25.950 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -15.789 23.343 -24.778 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -13.179 23.156 -26.330 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -14.512 24.228 -26.713 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -13.089 24.253 -24.025 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -12.595 25.257 -25.374 1.00 0.00 H new ATOM 0 HE ARG B 97 -14.928 25.642 -23.653 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -13.490 26.292 -26.810 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -14.457 27.745 -27.081 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -16.169 27.510 -24.008 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -15.967 28.432 -25.501 1.00 0.00 H new ATOM 1221 N LEU B 98 -14.814 21.598 -21.751 1.00 0.00 N ATOM 1222 CA LEU B 98 -15.180 21.996 -20.396 1.00 0.00 C ATOM 1223 C LEU B 98 -13.968 22.535 -19.641 1.00 0.00 C ATOM 1224 O LEU B 98 -12.825 22.254 -20.001 1.00 0.00 O ATOM 1225 CB LEU B 98 -15.781 20.811 -19.639 1.00 0.00 C ATOM 1226 CG LEU B 98 -16.668 21.159 -18.443 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -17.645 20.029 -18.157 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -15.818 21.455 -17.217 1.00 0.00 C ATOM 0 H LEU B 98 -14.654 20.597 -21.867 1.00 0.00 H new ATOM 0 HA LEU B 98 -15.924 22.789 -20.466 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -16.367 20.217 -20.340 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -14.966 20.178 -19.289 1.00 0.00 H new ATOM 0 HG LEU B 98 -17.241 22.054 -18.687 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -18.268 20.294 -17.303 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -18.277 19.865 -19.030 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -17.091 19.117 -17.933 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -16.466 21.701 -16.376 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -15.219 20.579 -16.970 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -15.159 22.298 -17.426 1.00 0.00 H new TER 1240 LEU B 98