USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 469 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 Set 1.1: A 92 SER OG : rot -164:sc= 0.83 USER MOD Set 1.2: A 100 ASN :FLIP amide:sc= 0.726 F(o=0.31,f=1.6) USER MOD Set 2.1: A 91 MET CE :methyl -128:sc= 0 (180deg=-0.0639) USER MOD Set 2.2: A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -117:sc= 0.103 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.0261 (180deg=-0.441) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 79 MET CE :methyl -109:sc=-0.000637 (180deg=-0.156) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.576 USER MOD Single : A 84 GLN : amide:sc= -0.278 K(o=-0.28,f=-1) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.29) USER MOD Single : A 102 GLN :FLIP amide:sc= -1.92! C(o=-3!,f=-1.9!) USER MOD Single : A 112 LYS NZ :NH3+ 159:sc= -0.0879 (180deg=-0.685) USER MOD Single : A 117 SER OG : rot -29:sc= 0.542 USER MOD Single : A 119 ASN : amide:sc= -0.0974 X(o=-0.097,f=-0.55) USER MOD Single : A 120 SER OG : rot 29:sc= 0.639 USER MOD Single : A 121 CYS SG : rot 71:sc= 0.0391 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 9.748 -32.703 -13.307 1.00 0.00 N ATOM 2 CA GLY A -4 9.363 -34.081 -12.895 1.00 0.00 C ATOM 3 C GLY A -4 9.466 -34.209 -11.379 1.00 0.00 C ATOM 4 O GLY A -4 10.057 -33.359 -10.712 1.00 0.00 O ATOM 0 H1 GLY A -4 8.933 -32.233 -13.751 1.00 0.00 H new ATOM 0 H2 GLY A -4 10.047 -32.161 -12.471 1.00 0.00 H new ATOM 0 H3 GLY A -4 10.533 -32.751 -13.988 1.00 0.00 H new ATOM 0 HA2 GLY A -4 8.345 -34.298 -13.220 1.00 0.00 H new ATOM 0 HA3 GLY A -4 10.014 -34.811 -13.377 1.00 0.00 H new ATOM 10 N PRO A -3 8.903 -35.252 -10.829 1.00 0.00 N ATOM 11 CA PRO A -3 8.925 -35.501 -9.360 1.00 0.00 C ATOM 12 C PRO A -3 10.319 -35.897 -8.875 1.00 0.00 C ATOM 13 O PRO A -3 11.101 -36.493 -9.618 1.00 0.00 O ATOM 14 CB PRO A -3 7.922 -36.649 -9.181 1.00 0.00 C ATOM 15 CG PRO A -3 7.954 -37.382 -10.480 1.00 0.00 C ATOM 16 CD PRO A -3 8.184 -36.316 -11.551 1.00 0.00 C ATOM 0 HA PRO A -3 8.668 -34.616 -8.778 1.00 0.00 H new ATOM 0 HB2 PRO A -3 8.206 -37.298 -8.352 1.00 0.00 H new ATOM 0 HB3 PRO A -3 6.923 -36.272 -8.963 1.00 0.00 H new ATOM 0 HG2 PRO A -3 8.751 -38.126 -10.490 1.00 0.00 H new ATOM 0 HG3 PRO A -3 7.019 -37.915 -10.652 1.00 0.00 H new ATOM 0 HD2 PRO A -3 8.771 -36.704 -12.383 1.00 0.00 H new ATOM 0 HD3 PRO A -3 7.243 -35.954 -11.966 1.00 0.00 H new ATOM 24 N LEU A -2 10.618 -35.569 -7.623 1.00 0.00 N ATOM 25 CA LEU A -2 11.912 -35.900 -7.044 1.00 0.00 C ATOM 26 C LEU A -2 13.042 -35.418 -7.956 1.00 0.00 C ATOM 27 O LEU A -2 13.701 -36.217 -8.621 1.00 0.00 O ATOM 28 CB LEU A -2 12.009 -37.422 -6.840 1.00 0.00 C ATOM 29 CG LEU A -2 11.372 -37.819 -5.496 1.00 0.00 C ATOM 30 CD1 LEU A -2 12.197 -37.268 -4.310 1.00 0.00 C ATOM 31 CD2 LEU A -2 9.939 -37.266 -5.447 1.00 0.00 C ATOM 0 H LEU A -2 9.985 -35.077 -6.993 1.00 0.00 H new ATOM 0 HA LEU A -2 12.010 -35.400 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A -2 11.505 -37.939 -7.657 1.00 0.00 H new ATOM 0 HB3 LEU A -2 13.053 -37.734 -6.862 1.00 0.00 H new ATOM 0 HG LEU A -2 11.355 -38.906 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A -2 11.726 -37.562 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A -2 13.208 -37.673 -4.351 1.00 0.00 H new ATOM 0 HD13 LEU A -2 12.239 -36.180 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A -2 9.475 -37.540 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A -2 9.965 -36.180 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A -2 9.359 -37.685 -6.269 1.00 0.00 H new ATOM 43 N GLY A -1 13.258 -34.109 -7.973 1.00 0.00 N ATOM 44 CA GLY A -1 14.310 -33.533 -8.799 1.00 0.00 C ATOM 45 C GLY A -1 14.579 -32.087 -8.402 1.00 0.00 C ATOM 46 O GLY A -1 13.782 -31.466 -7.701 1.00 0.00 O ATOM 0 H GLY A -1 12.724 -33.431 -7.429 1.00 0.00 H new ATOM 0 HA2 GLY A -1 15.223 -34.119 -8.694 1.00 0.00 H new ATOM 0 HA3 GLY A -1 14.020 -33.579 -9.849 1.00 0.00 H new ATOM 50 N SER A 0 15.707 -31.558 -8.855 1.00 0.00 N ATOM 51 CA SER A 0 16.076 -30.183 -8.543 1.00 0.00 C ATOM 52 C SER A 0 15.082 -29.205 -9.160 1.00 0.00 C ATOM 53 O SER A 0 14.935 -28.073 -8.699 1.00 0.00 O ATOM 54 CB SER A 0 17.479 -29.889 -9.072 1.00 0.00 C ATOM 55 OG SER A 0 17.477 -29.991 -10.491 1.00 0.00 O ATOM 0 H SER A 0 16.380 -32.057 -9.437 1.00 0.00 H new ATOM 0 HA SER A 0 16.061 -30.060 -7.460 1.00 0.00 H new ATOM 0 HB2 SER A 0 17.793 -28.890 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 0 18.195 -30.592 -8.646 1.00 0.00 H new ATOM 0 HG SER A 0 18.375 -29.801 -10.834 1.00 0.00 H new ATOM 61 N ARG A 74 14.404 -29.650 -10.211 1.00 0.00 N ATOM 62 CA ARG A 74 13.429 -28.807 -10.890 1.00 0.00 C ATOM 63 C ARG A 74 12.188 -28.606 -10.028 1.00 0.00 C ATOM 64 O ARG A 74 11.376 -27.719 -10.296 1.00 0.00 O ATOM 65 CB ARG A 74 13.032 -29.454 -12.224 1.00 0.00 C ATOM 66 CG ARG A 74 14.230 -29.491 -13.186 1.00 0.00 C ATOM 67 CD ARG A 74 14.472 -28.106 -13.804 1.00 0.00 C ATOM 68 NE ARG A 74 15.575 -28.168 -14.758 1.00 0.00 N ATOM 69 CZ ARG A 74 16.837 -27.978 -14.377 1.00 0.00 C ATOM 70 NH1 ARG A 74 17.113 -27.742 -13.121 1.00 0.00 N ATOM 71 NH2 ARG A 74 17.796 -28.030 -15.258 1.00 0.00 N ATOM 0 H ARG A 74 14.510 -30.583 -10.609 1.00 0.00 H new ATOM 0 HA ARG A 74 13.882 -27.832 -11.072 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.668 -30.466 -12.049 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.213 -28.895 -12.676 1.00 0.00 H new ATOM 0 HG2 ARG A 74 15.122 -29.817 -12.652 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.047 -30.220 -13.975 1.00 0.00 H new ATOM 0 HD2 ARG A 74 13.568 -27.759 -14.304 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.699 -27.384 -13.020 1.00 0.00 H new ATOM 0 HE ARG A 74 15.375 -28.361 -15.739 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.362 -27.703 -12.432 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.080 -27.597 -12.830 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.579 -28.216 -16.237 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.763 -27.885 -14.968 1.00 0.00 H new ATOM 85 N LYS A 75 12.040 -29.430 -8.997 1.00 0.00 N ATOM 86 CA LYS A 75 10.884 -29.323 -8.115 1.00 0.00 C ATOM 87 C LYS A 75 11.128 -28.285 -7.029 1.00 0.00 C ATOM 88 O LYS A 75 10.219 -27.902 -6.297 1.00 0.00 O ATOM 89 CB LYS A 75 10.594 -30.688 -7.488 1.00 0.00 C ATOM 90 CG LYS A 75 9.302 -30.620 -6.675 1.00 0.00 C ATOM 91 CD LYS A 75 8.889 -32.028 -6.248 1.00 0.00 C ATOM 92 CE LYS A 75 7.714 -31.933 -5.275 1.00 0.00 C ATOM 93 NZ LYS A 75 6.571 -31.242 -5.937 1.00 0.00 N ATOM 0 H LYS A 75 12.697 -30.171 -8.753 1.00 0.00 H new ATOM 0 HA LYS A 75 10.022 -29.003 -8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.505 -31.445 -8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.423 -30.987 -6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.446 -29.991 -5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.511 -30.163 -7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.608 -32.618 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.728 -32.539 -5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.413 -32.930 -4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.013 -31.387 -4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.695 -31.440 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.744 -30.217 -5.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.476 -31.586 -6.914 1.00 0.00 H new ATOM 107 N ILE A 76 12.364 -27.819 -6.946 1.00 0.00 N ATOM 108 CA ILE A 76 12.725 -26.810 -5.953 1.00 0.00 C ATOM 109 C ILE A 76 12.478 -25.409 -6.501 1.00 0.00 C ATOM 110 O ILE A 76 13.004 -25.040 -7.551 1.00 0.00 O ATOM 111 CB ILE A 76 14.196 -26.959 -5.561 1.00 0.00 C ATOM 112 CG1 ILE A 76 14.482 -28.420 -5.180 1.00 0.00 C ATOM 113 CG2 ILE A 76 14.510 -26.040 -4.377 1.00 0.00 C ATOM 114 CD1 ILE A 76 13.518 -28.891 -4.083 1.00 0.00 C ATOM 0 H ILE A 76 13.132 -28.118 -7.548 1.00 0.00 H new ATOM 0 HA ILE A 76 12.102 -26.958 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 76 14.826 -26.679 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.381 -29.057 -6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 76 15.511 -28.516 -4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.559 -26.149 -4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.314 -25.005 -4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 76 13.881 -26.311 -3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.737 -29.928 -3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 76 13.640 -28.266 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.492 -28.815 -4.443 1.00 0.00 H new ATOM 126 N ALA A 77 11.678 -24.631 -5.778 1.00 0.00 N ATOM 127 CA ALA A 77 11.366 -23.263 -6.189 1.00 0.00 C ATOM 128 C ALA A 77 12.311 -22.282 -5.506 1.00 0.00 C ATOM 129 O ALA A 77 12.201 -22.033 -4.305 1.00 0.00 O ATOM 130 CB ALA A 77 9.921 -22.927 -5.816 1.00 0.00 C ATOM 0 H ALA A 77 11.234 -24.922 -4.907 1.00 0.00 H new ATOM 0 HA ALA A 77 11.489 -23.183 -7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.694 -21.907 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.245 -23.618 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.793 -23.017 -4.737 1.00 0.00 H new ATOM 136 N GLN A 78 13.238 -21.725 -6.279 1.00 0.00 N ATOM 137 CA GLN A 78 14.199 -20.771 -5.737 1.00 0.00 C ATOM 138 C GLN A 78 13.589 -19.375 -5.684 1.00 0.00 C ATOM 139 O GLN A 78 12.930 -18.939 -6.627 1.00 0.00 O ATOM 140 CB GLN A 78 15.457 -20.749 -6.610 1.00 0.00 C ATOM 141 CG GLN A 78 16.161 -22.106 -6.528 1.00 0.00 C ATOM 142 CD GLN A 78 17.416 -22.095 -7.392 1.00 0.00 C ATOM 143 OE1 GLN A 78 17.378 -21.656 -8.541 1.00 0.00 O ATOM 144 NE2 GLN A 78 18.534 -22.557 -6.904 1.00 0.00 N ATOM 0 H GLN A 78 13.344 -21.916 -7.275 1.00 0.00 H new ATOM 0 HA GLN A 78 14.464 -21.079 -4.726 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.191 -20.527 -7.644 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.129 -19.958 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 78 16.424 -22.327 -5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.487 -22.895 -6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 78 18.563 -22.920 -5.951 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.379 -22.555 -7.475 1.00 0.00 H new ATOM 153 N MET A 79 13.818 -18.676 -4.577 1.00 0.00 N ATOM 154 CA MET A 79 13.289 -17.326 -4.413 1.00 0.00 C ATOM 155 C MET A 79 14.102 -16.335 -5.233 1.00 0.00 C ATOM 156 O MET A 79 15.331 -16.405 -5.266 1.00 0.00 O ATOM 157 CB MET A 79 13.338 -16.934 -2.938 1.00 0.00 C ATOM 158 CG MET A 79 12.456 -17.889 -2.132 1.00 0.00 C ATOM 159 SD MET A 79 12.740 -17.645 -0.359 1.00 0.00 S ATOM 160 CE MET A 79 14.264 -18.617 -0.213 1.00 0.00 C ATOM 0 H MET A 79 14.362 -19.018 -3.785 1.00 0.00 H new ATOM 0 HA MET A 79 12.257 -17.307 -4.763 1.00 0.00 H new ATOM 0 HB2 MET A 79 14.364 -16.973 -2.573 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.994 -15.908 -2.811 1.00 0.00 H new ATOM 0 HG2 MET A 79 11.406 -17.715 -2.368 1.00 0.00 H new ATOM 0 HG3 MET A 79 12.677 -18.921 -2.406 1.00 0.00 H new ATOM 0 HE1 MET A 79 14.058 -19.536 0.336 1.00 0.00 H new ATOM 0 HE2 MET A 79 14.635 -18.864 -1.208 1.00 0.00 H new ATOM 0 HE3 MET A 79 15.016 -18.036 0.320 1.00 0.00 H new ATOM 170 N THR A 80 13.413 -15.411 -5.898 1.00 0.00 N ATOM 171 CA THR A 80 14.095 -14.415 -6.715 1.00 0.00 C ATOM 172 C THR A 80 14.592 -13.259 -5.853 1.00 0.00 C ATOM 173 O THR A 80 14.144 -13.078 -4.716 1.00 0.00 O ATOM 174 CB THR A 80 13.147 -13.893 -7.798 1.00 0.00 C ATOM 175 OG1 THR A 80 12.069 -13.202 -7.186 1.00 0.00 O ATOM 176 CG2 THR A 80 12.603 -15.071 -8.612 1.00 0.00 C ATOM 0 H THR A 80 12.396 -15.332 -5.887 1.00 0.00 H new ATOM 0 HA THR A 80 14.957 -14.885 -7.189 1.00 0.00 H new ATOM 0 HB THR A 80 13.686 -13.215 -8.459 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.462 -12.865 -7.877 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.928 -14.700 -9.383 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.431 -15.603 -9.080 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.062 -15.750 -7.953 1.00 0.00 H new ATOM 184 N GLU A 82 15.514 -12.477 -6.399 1.00 0.00 N ATOM 185 CA GLU A 82 16.058 -11.341 -5.668 1.00 0.00 C ATOM 186 C GLU A 82 14.942 -10.374 -5.296 1.00 0.00 C ATOM 187 O GLU A 82 14.997 -9.715 -4.259 1.00 0.00 O ATOM 188 CB GLU A 82 17.098 -10.623 -6.532 1.00 0.00 C ATOM 189 CG GLU A 82 16.419 -10.025 -7.768 1.00 0.00 C ATOM 190 CD GLU A 82 17.470 -9.476 -8.726 1.00 0.00 C ATOM 191 OE1 GLU A 82 18.633 -9.465 -8.357 1.00 0.00 O ATOM 192 OE2 GLU A 82 17.098 -9.078 -9.818 1.00 0.00 O ATOM 0 H GLU A 82 15.897 -12.606 -7.335 1.00 0.00 H new ATOM 0 HA GLU A 82 16.532 -11.701 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.583 -9.836 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.877 -11.322 -6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 82 15.821 -10.786 -8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.737 -9.229 -7.469 1.00 0.00 H new ATOM 199 N GLU A 83 13.924 -10.306 -6.148 1.00 0.00 N ATOM 200 CA GLU A 83 12.793 -9.427 -5.894 1.00 0.00 C ATOM 201 C GLU A 83 12.036 -9.884 -4.654 1.00 0.00 C ATOM 202 O GLU A 83 11.586 -9.068 -3.855 1.00 0.00 O ATOM 203 CB GLU A 83 11.849 -9.412 -7.096 1.00 0.00 C ATOM 204 CG GLU A 83 12.519 -8.681 -8.261 1.00 0.00 C ATOM 205 CD GLU A 83 11.651 -8.780 -9.509 1.00 0.00 C ATOM 206 OE1 GLU A 83 10.696 -9.539 -9.485 1.00 0.00 O ATOM 207 OE2 GLU A 83 11.954 -8.096 -10.473 1.00 0.00 O ATOM 0 H GLU A 83 13.861 -10.844 -7.012 1.00 0.00 H new ATOM 0 HA GLU A 83 13.173 -8.419 -5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.599 -10.432 -7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.914 -8.918 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.678 -7.634 -8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.500 -9.113 -8.456 1.00 0.00 H new ATOM 214 N GLN A 84 11.902 -11.198 -4.501 1.00 0.00 N ATOM 215 CA GLN A 84 11.191 -11.743 -3.352 1.00 0.00 C ATOM 216 C GLN A 84 11.907 -11.371 -2.063 1.00 0.00 C ATOM 217 O GLN A 84 11.271 -11.009 -1.071 1.00 0.00 O ATOM 218 CB GLN A 84 11.097 -13.264 -3.468 1.00 0.00 C ATOM 219 CG GLN A 84 10.137 -13.640 -4.600 1.00 0.00 C ATOM 220 CD GLN A 84 8.715 -13.209 -4.257 1.00 0.00 C ATOM 221 OE1 GLN A 84 8.298 -13.304 -3.102 1.00 0.00 O ATOM 222 NE2 GLN A 84 7.936 -12.747 -5.197 1.00 0.00 N ATOM 0 H GLN A 84 12.271 -11.895 -5.148 1.00 0.00 H new ATOM 0 HA GLN A 84 10.186 -11.321 -3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.084 -13.685 -3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.748 -13.689 -2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.454 -13.164 -5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.167 -14.717 -4.768 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.282 -12.669 -6.153 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.981 -12.464 -4.975 1.00 0.00 H new ATOM 231 N PHE A 85 13.228 -11.455 -2.080 1.00 0.00 N ATOM 232 CA PHE A 85 14.009 -11.117 -0.901 1.00 0.00 C ATOM 233 C PHE A 85 13.815 -9.648 -0.529 1.00 0.00 C ATOM 234 O PHE A 85 13.562 -9.321 0.624 1.00 0.00 O ATOM 235 CB PHE A 85 15.491 -11.389 -1.163 1.00 0.00 C ATOM 236 CG PHE A 85 16.286 -11.101 0.089 1.00 0.00 C ATOM 237 CD1 PHE A 85 16.306 -12.036 1.130 1.00 0.00 C ATOM 238 CD2 PHE A 85 17.009 -9.908 0.207 1.00 0.00 C ATOM 239 CE1 PHE A 85 17.050 -11.780 2.288 1.00 0.00 C ATOM 240 CE2 PHE A 85 17.751 -9.650 1.367 1.00 0.00 C ATOM 241 CZ PHE A 85 17.772 -10.588 2.406 1.00 0.00 C ATOM 0 H PHE A 85 13.777 -11.751 -2.887 1.00 0.00 H new ATOM 0 HA PHE A 85 13.667 -11.736 -0.072 1.00 0.00 H new ATOM 0 HB2 PHE A 85 15.633 -12.426 -1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 85 15.846 -10.766 -1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 85 15.747 -12.956 1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 85 16.995 -9.186 -0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 85 17.066 -12.503 3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 85 18.306 -8.728 1.460 1.00 0.00 H new ATOM 0 HZ PHE A 85 18.346 -10.391 3.299 1.00 0.00 H new ATOM 251 N ALA A 86 13.934 -8.765 -1.514 1.00 0.00 N ATOM 252 CA ALA A 86 13.777 -7.334 -1.269 1.00 0.00 C ATOM 253 C ALA A 86 12.382 -7.020 -0.737 1.00 0.00 C ATOM 254 O ALA A 86 12.222 -6.177 0.147 1.00 0.00 O ATOM 255 CB ALA A 86 14.022 -6.553 -2.560 1.00 0.00 C ATOM 0 H ALA A 86 14.137 -9.011 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 86 14.509 -7.036 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.903 -5.487 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.034 -6.747 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.304 -6.868 -3.317 1.00 0.00 H new ATOM 261 N LEU A 87 11.378 -7.699 -1.280 1.00 0.00 N ATOM 262 CA LEU A 87 10.001 -7.485 -0.855 1.00 0.00 C ATOM 263 C LEU A 87 9.830 -7.827 0.618 1.00 0.00 C ATOM 264 O LEU A 87 9.136 -7.130 1.346 1.00 0.00 O ATOM 265 CB LEU A 87 9.062 -8.342 -1.710 1.00 0.00 C ATOM 266 CG LEU A 87 8.961 -7.754 -3.129 1.00 0.00 C ATOM 267 CD1 LEU A 87 8.386 -8.814 -4.074 1.00 0.00 C ATOM 268 CD2 LEU A 87 8.038 -6.516 -3.138 1.00 0.00 C ATOM 0 H LEU A 87 11.491 -8.400 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 87 9.752 -6.432 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.432 -9.366 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.074 -8.381 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 87 9.957 -7.455 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.312 -8.402 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.041 -9.685 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.395 -9.109 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.979 -6.114 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.041 -6.803 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.442 -5.756 -2.469 1.00 0.00 H new ATOM 280 N ALA A 88 10.462 -8.895 1.060 1.00 0.00 N ATOM 281 CA ALA A 88 10.356 -9.277 2.457 1.00 0.00 C ATOM 282 C ALA A 88 11.087 -8.282 3.361 1.00 0.00 C ATOM 283 O ALA A 88 10.604 -7.938 4.441 1.00 0.00 O ATOM 284 CB ALA A 88 10.943 -10.671 2.650 1.00 0.00 C ATOM 0 H ALA A 88 11.044 -9.505 0.486 1.00 0.00 H new ATOM 0 HA ALA A 88 9.301 -9.276 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.863 -10.957 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.394 -11.385 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.992 -10.668 2.353 1.00 0.00 H new ATOM 290 N LEU A 89 12.260 -7.843 2.915 1.00 0.00 N ATOM 291 CA LEU A 89 13.071 -6.911 3.694 1.00 0.00 C ATOM 292 C LEU A 89 12.423 -5.534 3.782 1.00 0.00 C ATOM 293 O LEU A 89 12.341 -4.944 4.862 1.00 0.00 O ATOM 294 CB LEU A 89 14.457 -6.794 3.028 1.00 0.00 C ATOM 295 CG LEU A 89 15.439 -7.823 3.624 1.00 0.00 C ATOM 296 CD1 LEU A 89 15.847 -7.408 5.055 1.00 0.00 C ATOM 297 CD2 LEU A 89 14.792 -9.222 3.652 1.00 0.00 C ATOM 0 H LEU A 89 12.670 -8.116 2.022 1.00 0.00 H new ATOM 0 HA LEU A 89 13.162 -7.293 4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.364 -6.953 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.849 -5.787 3.168 1.00 0.00 H new ATOM 0 HG LEU A 89 16.330 -7.855 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.540 -8.143 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.329 -6.431 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.960 -7.357 5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.495 -9.940 4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 89 13.890 -9.194 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.532 -9.523 2.637 1.00 0.00 H new ATOM 309 N LYS A 90 11.967 -5.023 2.654 1.00 0.00 N ATOM 310 CA LYS A 90 11.339 -3.720 2.641 1.00 0.00 C ATOM 311 C LYS A 90 10.002 -3.777 3.368 1.00 0.00 C ATOM 312 O LYS A 90 9.577 -2.801 3.986 1.00 0.00 O ATOM 313 CB LYS A 90 11.156 -3.263 1.193 1.00 0.00 C ATOM 314 CG LYS A 90 10.227 -4.245 0.445 1.00 0.00 C ATOM 315 CD LYS A 90 8.793 -3.694 0.381 1.00 0.00 C ATOM 316 CE LYS A 90 8.670 -2.744 -0.812 1.00 0.00 C ATOM 317 NZ LYS A 90 7.313 -2.135 -0.828 1.00 0.00 N ATOM 0 H LYS A 90 12.019 -5.485 1.746 1.00 0.00 H new ATOM 0 HA LYS A 90 11.973 -3.000 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.732 -2.259 1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.123 -3.212 0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.603 -4.412 -0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.229 -5.211 0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.080 -4.513 0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.551 -3.169 1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.429 -1.964 -0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.847 -3.286 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.232 -1.490 -1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.597 -2.885 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.160 -1.604 0.053 1.00 0.00 H new ATOM 331 N MET A 91 9.346 -4.932 3.304 1.00 0.00 N ATOM 332 CA MET A 91 8.066 -5.102 3.974 1.00 0.00 C ATOM 333 C MET A 91 8.229 -4.975 5.483 1.00 0.00 C ATOM 334 O MET A 91 7.432 -4.319 6.153 1.00 0.00 O ATOM 335 CB MET A 91 7.464 -6.470 3.627 1.00 0.00 C ATOM 336 CG MET A 91 6.127 -6.652 4.352 1.00 0.00 C ATOM 337 SD MET A 91 5.347 -8.208 3.835 1.00 0.00 S ATOM 338 CE MET A 91 6.320 -9.356 4.849 1.00 0.00 C ATOM 0 H MET A 91 9.677 -5.755 2.800 1.00 0.00 H new ATOM 0 HA MET A 91 7.392 -4.318 3.629 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.317 -6.549 2.550 1.00 0.00 H new ATOM 0 HB3 MET A 91 8.154 -7.264 3.914 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.286 -6.656 5.430 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.467 -5.813 4.131 1.00 0.00 H new ATOM 0 HE1 MET A 91 6.728 -10.144 4.216 1.00 0.00 H new ATOM 0 HE2 MET A 91 7.137 -8.816 5.328 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.681 -9.798 5.613 1.00 0.00 H new ATOM 348 N SER A 92 9.267 -5.605 6.012 1.00 0.00 N ATOM 349 CA SER A 92 9.525 -5.554 7.442 1.00 0.00 C ATOM 350 C SER A 92 9.819 -4.127 7.883 1.00 0.00 C ATOM 351 O SER A 92 9.374 -3.690 8.943 1.00 0.00 O ATOM 352 CB SER A 92 10.705 -6.455 7.794 1.00 0.00 C ATOM 353 OG SER A 92 10.343 -7.811 7.569 1.00 0.00 O ATOM 0 H SER A 92 9.940 -6.154 5.477 1.00 0.00 H new ATOM 0 HA SER A 92 8.635 -5.906 7.964 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.572 -6.192 7.187 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.990 -6.311 8.836 1.00 0.00 H new ATOM 0 HG SER A 92 10.980 -8.400 8.026 1.00 0.00 H new ATOM 359 N GLU A 93 10.576 -3.405 7.066 1.00 0.00 N ATOM 360 CA GLU A 93 10.927 -2.029 7.391 1.00 0.00 C ATOM 361 C GLU A 93 9.675 -1.160 7.458 1.00 0.00 C ATOM 362 O GLU A 93 9.553 -0.299 8.329 1.00 0.00 O ATOM 363 CB GLU A 93 11.879 -1.477 6.330 1.00 0.00 C ATOM 364 CG GLU A 93 13.239 -2.165 6.458 1.00 0.00 C ATOM 365 CD GLU A 93 14.125 -1.792 5.275 1.00 0.00 C ATOM 366 OE1 GLU A 93 13.589 -1.318 4.286 1.00 0.00 O ATOM 367 OE2 GLU A 93 15.325 -1.985 5.373 1.00 0.00 O ATOM 0 H GLU A 93 10.955 -3.745 6.182 1.00 0.00 H new ATOM 0 HA GLU A 93 11.416 -2.014 8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.467 -1.644 5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.991 -0.400 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.719 -1.869 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.107 -3.246 6.497 1.00 0.00 H new ATOM 374 N GLN A 94 8.742 -1.399 6.542 1.00 0.00 N ATOM 375 CA GLN A 94 7.501 -0.637 6.521 1.00 0.00 C ATOM 376 C GLN A 94 6.663 -0.942 7.759 1.00 0.00 C ATOM 377 O GLN A 94 6.033 -0.052 8.330 1.00 0.00 O ATOM 378 CB GLN A 94 6.701 -0.983 5.261 1.00 0.00 C ATOM 379 CG GLN A 94 7.403 -0.411 4.026 1.00 0.00 C ATOM 380 CD GLN A 94 7.341 1.112 4.049 1.00 0.00 C ATOM 381 OE1 GLN A 94 6.261 1.688 4.186 1.00 0.00 O ATOM 382 NE2 GLN A 94 8.438 1.807 3.923 1.00 0.00 N ATOM 0 H GLN A 94 8.821 -2.107 5.812 1.00 0.00 H new ATOM 0 HA GLN A 94 7.746 0.425 6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.604 -2.065 5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.692 -0.578 5.337 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.442 -0.740 4.003 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.929 -0.789 3.120 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.333 1.331 3.810 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.401 2.826 3.938 1.00 0.00 H new ATOM 391 N GLU A 95 6.663 -2.207 8.168 1.00 0.00 N ATOM 392 CA GLU A 95 5.901 -2.623 9.341 1.00 0.00 C ATOM 393 C GLU A 95 6.626 -2.235 10.626 1.00 0.00 C ATOM 394 O GLU A 95 6.006 -2.101 11.681 1.00 0.00 O ATOM 395 CB GLU A 95 5.684 -4.136 9.309 1.00 0.00 C ATOM 396 CG GLU A 95 4.857 -4.507 8.076 1.00 0.00 C ATOM 397 CD GLU A 95 3.432 -3.990 8.233 1.00 0.00 C ATOM 398 OE1 GLU A 95 3.050 -3.692 9.353 1.00 0.00 O ATOM 399 OE2 GLU A 95 2.742 -3.901 7.231 1.00 0.00 O ATOM 0 H GLU A 95 7.178 -2.958 7.708 1.00 0.00 H new ATOM 0 HA GLU A 95 4.937 -2.115 9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.644 -4.651 9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.171 -4.460 10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.311 -4.081 7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.848 -5.589 7.945 1.00 0.00 H new ATOM 406 N ALA A 96 7.939 -2.059 10.529 1.00 0.00 N ATOM 407 CA ALA A 96 8.742 -1.692 11.690 1.00 0.00 C ATOM 408 C ALA A 96 8.821 -2.854 12.676 1.00 0.00 C ATOM 409 O ALA A 96 9.475 -2.757 13.715 1.00 0.00 O ATOM 410 CB ALA A 96 8.135 -0.462 12.375 1.00 0.00 C ATOM 0 H ALA A 96 8.468 -2.164 9.663 1.00 0.00 H new ATOM 0 HA ALA A 96 9.752 -1.454 11.355 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.739 -0.193 13.241 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.115 0.372 11.674 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.119 -0.690 12.698 1.00 0.00 H new ATOM 416 N ARG A 97 8.143 -3.947 12.345 1.00 0.00 N ATOM 417 CA ARG A 97 8.134 -5.120 13.210 1.00 0.00 C ATOM 418 C ARG A 97 7.554 -6.320 12.470 1.00 0.00 C ATOM 419 O ARG A 97 7.544 -6.356 11.240 1.00 0.00 O ATOM 420 CB ARG A 97 7.311 -4.837 14.469 1.00 0.00 C ATOM 421 CG ARG A 97 5.860 -4.554 14.081 1.00 0.00 C ATOM 422 CD ARG A 97 5.094 -4.068 15.312 1.00 0.00 C ATOM 423 NE ARG A 97 5.655 -2.809 15.788 1.00 0.00 N ATOM 424 CZ ARG A 97 5.347 -2.329 16.987 1.00 0.00 C ATOM 425 NH1 ARG A 97 4.530 -2.987 17.763 1.00 0.00 N ATOM 426 NH2 ARG A 97 5.863 -1.200 17.391 1.00 0.00 N ATOM 0 H ARG A 97 7.596 -4.045 11.490 1.00 0.00 H new ATOM 0 HA ARG A 97 9.160 -5.348 13.498 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.357 -5.691 15.145 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.728 -3.984 15.004 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.822 -3.801 13.294 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.396 -5.456 13.682 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.041 -3.935 15.065 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.144 -4.819 16.101 1.00 0.00 H new ATOM 0 HE ARG A 97 6.295 -2.288 15.189 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.128 -3.870 17.448 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.293 -2.618 18.684 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.503 -0.686 16.785 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.626 -0.832 18.312 1.00 0.00 H new ATOM 440 N GLU A 98 7.076 -7.302 13.227 1.00 0.00 N ATOM 441 CA GLU A 98 6.496 -8.504 12.638 1.00 0.00 C ATOM 442 C GLU A 98 7.602 -9.459 12.192 1.00 0.00 C ATOM 443 O GLU A 98 8.640 -9.036 11.684 1.00 0.00 O ATOM 444 CB GLU A 98 5.593 -8.122 11.447 1.00 0.00 C ATOM 445 CG GLU A 98 4.372 -9.049 11.375 1.00 0.00 C ATOM 446 CD GLU A 98 4.820 -10.504 11.394 1.00 0.00 C ATOM 447 OE1 GLU A 98 5.068 -11.041 10.328 1.00 0.00 O ATOM 448 OE2 GLU A 98 4.909 -11.064 12.475 1.00 0.00 O ATOM 0 H GLU A 98 7.079 -7.290 14.247 1.00 0.00 H new ATOM 0 HA GLU A 98 5.888 -9.011 13.387 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.265 -7.087 11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.160 -8.186 10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.707 -8.854 12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.805 -8.847 10.467 1.00 0.00 H new ATOM 455 N VAL A 99 7.367 -10.749 12.389 1.00 0.00 N ATOM 456 CA VAL A 99 8.341 -11.762 12.012 1.00 0.00 C ATOM 457 C VAL A 99 8.511 -11.791 10.503 1.00 0.00 C ATOM 458 O VAL A 99 7.590 -11.452 9.759 1.00 0.00 O ATOM 459 CB VAL A 99 7.878 -13.141 12.489 1.00 0.00 C ATOM 460 CG1 VAL A 99 9.080 -14.088 12.571 1.00 0.00 C ATOM 461 CG2 VAL A 99 7.228 -13.013 13.870 1.00 0.00 C ATOM 0 H VAL A 99 6.512 -11.117 12.807 1.00 0.00 H new ATOM 0 HA VAL A 99 9.294 -11.514 12.480 1.00 0.00 H new ATOM 0 HB VAL A 99 7.151 -13.543 11.783 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.748 -15.069 12.911 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.538 -14.181 11.586 1.00 0.00 H new ATOM 0 HG13 VAL A 99 9.811 -13.689 13.274 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.898 -13.995 14.209 1.00 0.00 H new ATOM 0 HG22 VAL A 99 7.952 -12.609 14.577 1.00 0.00 H new ATOM 0 HG23 VAL A 99 6.370 -12.344 13.808 1.00 0.00 H new ATOM 471 N ASN A 100 9.687 -12.196 10.056 1.00 0.00 N ATOM 472 CA ASN A 100 9.948 -12.262 8.630 1.00 0.00 C ATOM 473 C ASN A 100 9.266 -13.481 8.016 1.00 0.00 C ATOM 474 O ASN A 100 9.471 -14.613 8.453 1.00 0.00 O ATOM 475 CB ASN A 100 11.455 -12.356 8.389 1.00 0.00 C ATOM 476 CG ASN A 100 12.162 -11.171 9.038 1.00 0.00 C ATOM 477 OD1 ASN A 100 11.855 -9.956 8.674 1.00 0.00 O flip ATOM 478 ND2 ASN A 100 13.018 -11.358 9.903 1.00 0.00 N flip ATOM 0 H ASN A 100 10.466 -12.480 10.650 1.00 0.00 H new ATOM 0 HA ASN A 100 9.551 -11.361 8.163 1.00 0.00 H new ATOM 0 HB2 ASN A 100 11.840 -13.289 8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.660 -12.371 7.319 1.00 0.00 H new ATOM 0 HD21 ASN A 100 13.257 -12.308 10.187 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.488 -10.563 10.336 1.00 0.00 H new ATOM 485 N SER A 101 8.471 -13.234 6.986 1.00 0.00 N ATOM 486 CA SER A 101 7.771 -14.307 6.287 1.00 0.00 C ATOM 487 C SER A 101 8.775 -15.262 5.655 1.00 0.00 C ATOM 488 O SER A 101 8.571 -16.475 5.636 1.00 0.00 O ATOM 489 CB SER A 101 6.857 -13.731 5.204 1.00 0.00 C ATOM 490 OG SER A 101 5.818 -12.979 5.816 1.00 0.00 O ATOM 0 H SER A 101 8.293 -12.301 6.614 1.00 0.00 H new ATOM 0 HA SER A 101 7.163 -14.851 7.010 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.430 -13.097 4.528 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.433 -14.536 4.604 1.00 0.00 H new ATOM 0 HG SER A 101 5.232 -12.607 5.124 1.00 0.00 H new ATOM 496 N GLN A 102 9.863 -14.703 5.132 1.00 0.00 N ATOM 497 CA GLN A 102 10.894 -15.513 4.496 1.00 0.00 C ATOM 498 C GLN A 102 11.498 -16.487 5.501 1.00 0.00 C ATOM 499 O GLN A 102 11.759 -17.644 5.174 1.00 0.00 O ATOM 500 CB GLN A 102 11.996 -14.604 3.945 1.00 0.00 C ATOM 501 CG GLN A 102 11.466 -13.816 2.749 1.00 0.00 C ATOM 502 CD GLN A 102 11.212 -14.754 1.573 1.00 0.00 C ATOM 503 OE1 GLN A 102 10.104 -14.650 0.894 1.00 0.00 O flip ATOM 504 NE2 GLN A 102 12.048 -15.604 1.268 1.00 0.00 N flip ATOM 0 H GLN A 102 10.052 -13.701 5.136 1.00 0.00 H new ATOM 0 HA GLN A 102 10.442 -16.078 3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.337 -13.919 4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.857 -15.201 3.646 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.543 -13.304 3.021 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.184 -13.048 2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.914 -15.682 1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.875 -16.230 0.482 1.00 0.00 H new ATOM 513 N GLU A 103 11.718 -16.019 6.724 1.00 0.00 N ATOM 514 CA GLU A 103 12.292 -16.878 7.755 1.00 0.00 C ATOM 515 C GLU A 103 11.352 -18.039 8.061 1.00 0.00 C ATOM 516 O GLU A 103 11.788 -19.181 8.205 1.00 0.00 O ATOM 517 CB GLU A 103 12.538 -16.062 9.030 1.00 0.00 C ATOM 518 CG GLU A 103 13.182 -16.942 10.111 1.00 0.00 C ATOM 519 CD GLU A 103 14.553 -17.415 9.645 1.00 0.00 C ATOM 520 OE1 GLU A 103 15.101 -16.789 8.753 1.00 0.00 O ATOM 521 OE2 GLU A 103 15.038 -18.393 10.190 1.00 0.00 O ATOM 0 H GLU A 103 11.512 -15.066 7.024 1.00 0.00 H new ATOM 0 HA GLU A 103 13.239 -17.278 7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.186 -15.214 8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.596 -15.655 9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.278 -16.380 11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.544 -17.800 10.322 1.00 0.00 H new ATOM 528 N GLU A 104 10.060 -17.741 8.160 1.00 0.00 N ATOM 529 CA GLU A 104 9.076 -18.777 8.453 1.00 0.00 C ATOM 530 C GLU A 104 9.003 -19.787 7.313 1.00 0.00 C ATOM 531 O GLU A 104 8.933 -20.997 7.538 1.00 0.00 O ATOM 532 CB GLU A 104 7.698 -18.146 8.670 1.00 0.00 C ATOM 533 CG GLU A 104 7.694 -17.362 9.986 1.00 0.00 C ATOM 534 CD GLU A 104 6.358 -16.648 10.164 1.00 0.00 C ATOM 535 OE1 GLU A 104 5.591 -16.624 9.215 1.00 0.00 O ATOM 536 OE2 GLU A 104 6.119 -16.138 11.245 1.00 0.00 O ATOM 0 H GLU A 104 9.674 -16.804 8.043 1.00 0.00 H new ATOM 0 HA GLU A 104 9.384 -19.295 9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.455 -17.483 7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.932 -18.921 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.868 -18.039 10.823 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.507 -16.636 9.989 1.00 0.00 H new ATOM 543 N GLU A 105 9.024 -19.278 6.089 1.00 0.00 N ATOM 544 CA GLU A 105 8.964 -20.133 4.912 1.00 0.00 C ATOM 545 C GLU A 105 10.207 -21.006 4.806 1.00 0.00 C ATOM 546 O GLU A 105 10.126 -22.175 4.433 1.00 0.00 O ATOM 547 CB GLU A 105 8.832 -19.273 3.655 1.00 0.00 C ATOM 548 CG GLU A 105 7.440 -18.639 3.614 1.00 0.00 C ATOM 549 CD GLU A 105 7.372 -17.602 2.498 1.00 0.00 C ATOM 550 OE1 GLU A 105 8.421 -17.178 2.045 1.00 0.00 O ATOM 551 OE2 GLU A 105 6.270 -17.247 2.115 1.00 0.00 O ATOM 0 H GLU A 105 9.082 -18.280 5.886 1.00 0.00 H new ATOM 0 HA GLU A 105 8.094 -20.783 5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.597 -18.497 3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.992 -19.883 2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.685 -19.409 3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.217 -18.169 4.572 1.00 0.00 H new ATOM 558 N GLU A 106 11.358 -20.431 5.125 1.00 0.00 N ATOM 559 CA GLU A 106 12.611 -21.169 5.045 1.00 0.00 C ATOM 560 C GLU A 106 12.591 -22.365 5.990 1.00 0.00 C ATOM 561 O GLU A 106 13.038 -23.454 5.633 1.00 0.00 O ATOM 562 CB GLU A 106 13.782 -20.251 5.398 1.00 0.00 C ATOM 563 CG GLU A 106 15.099 -21.003 5.197 1.00 0.00 C ATOM 564 CD GLU A 106 16.276 -20.069 5.459 1.00 0.00 C ATOM 565 OE1 GLU A 106 16.034 -18.915 5.773 1.00 0.00 O ATOM 566 OE2 GLU A 106 17.403 -20.520 5.339 1.00 0.00 O ATOM 0 H GLU A 106 11.451 -19.465 5.439 1.00 0.00 H new ATOM 0 HA GLU A 106 12.732 -21.532 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.761 -19.360 4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.696 -19.916 6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 106 15.146 -21.859 5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.153 -21.394 4.181 1.00 0.00 H new ATOM 573 N GLU A 107 12.072 -22.161 7.198 1.00 0.00 N ATOM 574 CA GLU A 107 12.008 -23.243 8.172 1.00 0.00 C ATOM 575 C GLU A 107 11.144 -24.380 7.639 1.00 0.00 C ATOM 576 O GLU A 107 11.504 -25.551 7.749 1.00 0.00 O ATOM 577 CB GLU A 107 11.421 -22.723 9.491 1.00 0.00 C ATOM 578 CG GLU A 107 11.387 -23.844 10.538 1.00 0.00 C ATOM 579 CD GLU A 107 12.807 -24.296 10.863 1.00 0.00 C ATOM 580 OE1 GLU A 107 13.723 -23.535 10.599 1.00 0.00 O ATOM 581 OE2 GLU A 107 12.956 -25.394 11.371 1.00 0.00 O ATOM 0 H GLU A 107 11.695 -21.270 7.521 1.00 0.00 H new ATOM 0 HA GLU A 107 13.017 -23.617 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.019 -21.890 9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.414 -22.342 9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.892 -23.493 11.443 1.00 0.00 H new ATOM 0 HG3 GLU A 107 10.805 -24.686 10.163 1.00 0.00 H new ATOM 588 N GLU A 108 9.999 -24.026 7.066 1.00 0.00 N ATOM 589 CA GLU A 108 9.090 -25.030 6.525 1.00 0.00 C ATOM 590 C GLU A 108 9.740 -25.772 5.362 1.00 0.00 C ATOM 591 O GLU A 108 9.617 -26.990 5.243 1.00 0.00 O ATOM 592 CB GLU A 108 7.800 -24.353 6.049 1.00 0.00 C ATOM 593 CG GLU A 108 7.001 -23.836 7.252 1.00 0.00 C ATOM 594 CD GLU A 108 6.563 -24.995 8.144 1.00 0.00 C ATOM 595 OE1 GLU A 108 6.101 -25.988 7.606 1.00 0.00 O ATOM 596 OE2 GLU A 108 6.691 -24.869 9.351 1.00 0.00 O ATOM 0 H GLU A 108 9.680 -23.062 6.965 1.00 0.00 H new ATOM 0 HA GLU A 108 8.858 -25.750 7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 108 8.039 -23.527 5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.198 -25.061 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 108 7.609 -23.138 7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.126 -23.286 6.905 1.00 0.00 H new ATOM 603 N LEU A 109 10.438 -25.030 4.514 1.00 0.00 N ATOM 604 CA LEU A 109 11.111 -25.630 3.373 1.00 0.00 C ATOM 605 C LEU A 109 12.191 -26.594 3.831 1.00 0.00 C ATOM 606 O LEU A 109 12.386 -27.655 3.238 1.00 0.00 O ATOM 607 CB LEU A 109 11.731 -24.539 2.501 1.00 0.00 C ATOM 608 CG LEU A 109 10.625 -23.762 1.773 1.00 0.00 C ATOM 609 CD1 LEU A 109 11.230 -22.511 1.127 1.00 0.00 C ATOM 610 CD2 LEU A 109 9.970 -24.645 0.689 1.00 0.00 C ATOM 0 H LEU A 109 10.552 -24.020 4.594 1.00 0.00 H new ATOM 0 HA LEU A 109 10.374 -26.184 2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 109 12.320 -23.860 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 109 12.413 -24.984 1.776 1.00 0.00 H new ATOM 0 HG LEU A 109 9.859 -23.472 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.449 -21.955 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 109 11.672 -21.881 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 109 12.000 -22.806 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.188 -24.079 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.724 -24.951 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.534 -25.529 1.154 1.00 0.00 H new ATOM 622 N LEU A 110 12.904 -26.219 4.883 1.00 0.00 N ATOM 623 CA LEU A 110 13.971 -27.064 5.392 1.00 0.00 C ATOM 624 C LEU A 110 13.405 -28.390 5.887 1.00 0.00 C ATOM 625 O LEU A 110 13.946 -29.460 5.598 1.00 0.00 O ATOM 626 CB LEU A 110 14.688 -26.338 6.545 1.00 0.00 C ATOM 627 CG LEU A 110 16.174 -26.736 6.594 1.00 0.00 C ATOM 628 CD1 LEU A 110 16.293 -28.265 6.682 1.00 0.00 C ATOM 629 CD2 LEU A 110 16.912 -26.212 5.338 1.00 0.00 C ATOM 0 H LEU A 110 12.765 -25.347 5.394 1.00 0.00 H new ATOM 0 HA LEU A 110 14.681 -27.267 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 110 14.599 -25.260 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 110 14.208 -26.585 7.492 1.00 0.00 H new ATOM 0 HG LEU A 110 16.635 -26.289 7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 110 17.345 -28.547 6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 110 15.793 -28.618 7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 110 15.825 -28.717 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 110 17.962 -26.501 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 110 16.458 -26.640 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 110 16.836 -25.125 5.298 1.00 0.00 H new ATOM 641 N ARG A 111 12.317 -28.313 6.636 1.00 0.00 N ATOM 642 CA ARG A 111 11.693 -29.511 7.168 1.00 0.00 C ATOM 643 C ARG A 111 11.219 -30.413 6.034 1.00 0.00 C ATOM 644 O ARG A 111 11.341 -31.636 6.106 1.00 0.00 O ATOM 645 CB ARG A 111 10.503 -29.127 8.053 1.00 0.00 C ATOM 646 CG ARG A 111 10.026 -30.350 8.856 1.00 0.00 C ATOM 647 CD ARG A 111 10.832 -30.481 10.157 1.00 0.00 C ATOM 648 NE ARG A 111 10.621 -31.797 10.743 1.00 0.00 N ATOM 649 CZ ARG A 111 9.510 -32.082 11.409 1.00 0.00 C ATOM 650 NH1 ARG A 111 8.577 -31.179 11.535 1.00 0.00 N ATOM 651 NH2 ARG A 111 9.353 -33.267 11.932 1.00 0.00 N ATOM 0 H ARG A 111 11.852 -27.441 6.887 1.00 0.00 H new ATOM 0 HA ARG A 111 12.428 -30.052 7.763 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.789 -28.325 8.733 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.689 -28.747 7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.965 -30.251 9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.140 -31.254 8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.892 -30.330 9.954 1.00 0.00 H new ATOM 0 HD3 ARG A 111 10.529 -29.707 10.862 1.00 0.00 H new ATOM 0 HE ARG A 111 11.340 -32.513 10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.702 -30.255 11.122 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.722 -31.397 12.047 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.084 -33.971 11.828 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.500 -33.489 12.445 1.00 0.00 H new ATOM 665 N LYS A 112 10.668 -29.802 4.994 1.00 0.00 N ATOM 666 CA LYS A 112 10.164 -30.556 3.854 1.00 0.00 C ATOM 667 C LYS A 112 11.291 -31.331 3.181 1.00 0.00 C ATOM 668 O LYS A 112 11.110 -32.478 2.777 1.00 0.00 O ATOM 669 CB LYS A 112 9.522 -29.606 2.843 1.00 0.00 C ATOM 670 CG LYS A 112 8.915 -30.412 1.693 1.00 0.00 C ATOM 671 CD LYS A 112 8.236 -29.460 0.709 1.00 0.00 C ATOM 672 CE LYS A 112 7.603 -30.269 -0.420 1.00 0.00 C ATOM 673 NZ LYS A 112 6.534 -31.142 0.144 1.00 0.00 N ATOM 0 H LYS A 112 10.559 -28.791 4.916 1.00 0.00 H new ATOM 0 HA LYS A 112 9.417 -31.264 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.750 -29.009 3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.268 -28.910 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.692 -30.984 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.192 -31.130 2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.475 -28.871 1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.964 -28.757 0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.184 -29.601 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.360 -30.875 -0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.875 -31.417 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.964 -31.995 0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.016 -30.624 0.882 1.00 0.00 H new ATOM 687 N ALA A 113 12.449 -30.697 3.053 1.00 0.00 N ATOM 688 CA ALA A 113 13.586 -31.343 2.414 1.00 0.00 C ATOM 689 C ALA A 113 13.982 -32.599 3.181 1.00 0.00 C ATOM 690 O ALA A 113 14.278 -33.634 2.585 1.00 0.00 O ATOM 691 CB ALA A 113 14.770 -30.375 2.371 1.00 0.00 C ATOM 0 H ALA A 113 12.624 -29.747 3.379 1.00 0.00 H new ATOM 0 HA ALA A 113 13.306 -31.623 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 113 15.620 -30.861 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.493 -29.486 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.042 -30.087 3.387 1.00 0.00 H new ATOM 697 N ILE A 114 13.974 -32.503 4.504 1.00 0.00 N ATOM 698 CA ILE A 114 14.328 -33.642 5.340 1.00 0.00 C ATOM 699 C ILE A 114 13.294 -34.754 5.193 1.00 0.00 C ATOM 700 O ILE A 114 13.641 -35.928 5.086 1.00 0.00 O ATOM 701 CB ILE A 114 14.412 -33.204 6.804 1.00 0.00 C ATOM 702 CG1 ILE A 114 15.491 -32.118 6.964 1.00 0.00 C ATOM 703 CG2 ILE A 114 14.741 -34.406 7.696 1.00 0.00 C ATOM 704 CD1 ILE A 114 16.865 -32.620 6.492 1.00 0.00 C ATOM 0 H ILE A 114 13.729 -31.656 5.017 1.00 0.00 H new ATOM 0 HA ILE A 114 15.298 -34.022 5.019 1.00 0.00 H new ATOM 0 HB ILE A 114 13.448 -32.795 7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 114 15.208 -31.235 6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 114 15.552 -31.814 8.009 1.00 0.00 H new ATOM 0 HG21 ILE A 114 14.798 -34.083 8.735 1.00 0.00 H new ATOM 0 HG22 ILE A 114 13.961 -35.160 7.593 1.00 0.00 H new ATOM 0 HG23 ILE A 114 15.698 -34.831 7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 114 17.604 -31.829 6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 114 17.158 -33.488 7.083 1.00 0.00 H new ATOM 0 HD13 ILE A 114 16.809 -32.899 5.440 1.00 0.00 H new ATOM 716 N ALA A 115 12.022 -34.374 5.189 1.00 0.00 N ATOM 717 CA ALA A 115 10.953 -35.351 5.053 1.00 0.00 C ATOM 718 C ALA A 115 11.067 -36.086 3.724 1.00 0.00 C ATOM 719 O ALA A 115 10.876 -37.300 3.657 1.00 0.00 O ATOM 720 CB ALA A 115 9.599 -34.650 5.138 1.00 0.00 C ATOM 0 H ALA A 115 11.709 -33.407 5.277 1.00 0.00 H new ATOM 0 HA ALA A 115 11.039 -36.076 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 115 8.801 -35.386 5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.509 -34.149 6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 115 9.519 -33.915 4.337 1.00 0.00 H new ATOM 726 N GLU A 116 11.379 -35.348 2.666 1.00 0.00 N ATOM 727 CA GLU A 116 11.511 -35.953 1.346 1.00 0.00 C ATOM 728 C GLU A 116 12.667 -36.947 1.326 1.00 0.00 C ATOM 729 O GLU A 116 12.554 -38.033 0.762 1.00 0.00 O ATOM 730 CB GLU A 116 11.759 -34.866 0.298 1.00 0.00 C ATOM 731 CG GLU A 116 10.474 -34.068 0.074 1.00 0.00 C ATOM 732 CD GLU A 116 9.466 -34.909 -0.700 1.00 0.00 C ATOM 733 OE1 GLU A 116 9.498 -34.864 -1.920 1.00 0.00 O ATOM 734 OE2 GLU A 116 8.677 -35.588 -0.064 1.00 0.00 O ATOM 0 H GLU A 116 11.544 -34.342 2.694 1.00 0.00 H new ATOM 0 HA GLU A 116 10.586 -36.481 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.558 -34.203 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.087 -35.317 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.050 -33.769 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.695 -33.153 -0.476 1.00 0.00 H new ATOM 741 N SER A 117 13.777 -36.572 1.953 1.00 0.00 N ATOM 742 CA SER A 117 14.944 -37.443 1.998 1.00 0.00 C ATOM 743 C SER A 117 14.628 -38.736 2.741 1.00 0.00 C ATOM 744 O SER A 117 15.078 -39.814 2.351 1.00 0.00 O ATOM 745 CB SER A 117 16.099 -36.722 2.692 1.00 0.00 C ATOM 746 OG SER A 117 15.724 -36.408 4.028 1.00 0.00 O ATOM 0 H SER A 117 13.892 -35.679 2.433 1.00 0.00 H new ATOM 0 HA SER A 117 15.228 -37.692 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 117 16.989 -37.352 2.691 1.00 0.00 H new ATOM 0 HB3 SER A 117 16.352 -35.811 2.150 1.00 0.00 H new ATOM 0 HG SER A 117 14.753 -36.288 4.076 1.00 0.00 H new ATOM 752 N LEU A 118 13.849 -38.623 3.809 1.00 0.00 N ATOM 753 CA LEU A 118 13.476 -39.793 4.591 1.00 0.00 C ATOM 754 C LEU A 118 12.569 -40.717 3.783 1.00 0.00 C ATOM 755 O LEU A 118 12.655 -41.939 3.895 1.00 0.00 O ATOM 756 CB LEU A 118 12.770 -39.355 5.876 1.00 0.00 C ATOM 757 CG LEU A 118 13.776 -38.669 6.811 1.00 0.00 C ATOM 758 CD1 LEU A 118 13.019 -38.039 7.986 1.00 0.00 C ATOM 759 CD2 LEU A 118 14.812 -39.688 7.337 1.00 0.00 C ATOM 0 H LEU A 118 13.466 -37.741 4.151 1.00 0.00 H new ATOM 0 HA LEU A 118 14.382 -40.342 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 118 11.954 -38.672 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 118 12.328 -40.219 6.372 1.00 0.00 H new ATOM 0 HG LEU A 118 14.308 -37.896 6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.727 -37.550 8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 118 12.309 -37.303 7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.482 -38.815 8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 118 15.516 -39.183 7.998 1.00 0.00 H new ATOM 0 HD22 LEU A 118 14.299 -40.477 7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.352 -40.124 6.497 1.00 0.00 H new ATOM 771 N ASN A 119 11.696 -40.121 2.973 1.00 0.00 N ATOM 772 CA ASN A 119 10.771 -40.899 2.151 1.00 0.00 C ATOM 773 C ASN A 119 11.364 -41.149 0.766 1.00 0.00 C ATOM 774 O ASN A 119 10.758 -41.826 -0.064 1.00 0.00 O ATOM 775 CB ASN A 119 9.450 -40.141 2.012 1.00 0.00 C ATOM 776 CG ASN A 119 8.844 -39.896 3.390 1.00 0.00 C ATOM 777 OD1 ASN A 119 8.596 -38.749 3.764 1.00 0.00 O ATOM 778 ND2 ASN A 119 8.594 -40.908 4.174 1.00 0.00 N ATOM 0 H ASN A 119 11.610 -39.110 2.868 1.00 0.00 H new ATOM 0 HA ASN A 119 10.596 -41.860 2.635 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.618 -39.191 1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 119 8.756 -40.713 1.396 1.00 0.00 H new ATOM 0 HD21 ASN A 119 8.193 -40.750 5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 119 8.800 -41.857 3.863 1.00 0.00 H new ATOM 785 N SER A 120 12.555 -40.606 0.526 1.00 0.00 N ATOM 786 CA SER A 120 13.217 -40.787 -0.763 1.00 0.00 C ATOM 787 C SER A 120 13.659 -42.234 -0.941 1.00 0.00 C ATOM 788 O SER A 120 14.096 -42.882 0.011 1.00 0.00 O ATOM 789 CB SER A 120 14.435 -39.866 -0.878 1.00 0.00 C ATOM 790 OG SER A 120 14.000 -38.518 -0.995 1.00 0.00 O ATOM 0 H SER A 120 13.076 -40.043 1.198 1.00 0.00 H new ATOM 0 HA SER A 120 12.501 -40.533 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 120 15.074 -39.979 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 120 15.033 -40.143 -1.746 1.00 0.00 H new ATOM 0 HG SER A 120 13.142 -38.410 -0.534 1.00 0.00 H new ATOM 796 N CYS A 121 13.551 -42.730 -2.169 1.00 0.00 N ATOM 797 CA CYS A 121 13.949 -44.099 -2.471 1.00 0.00 C ATOM 798 C CYS A 121 15.463 -44.200 -2.584 1.00 0.00 C ATOM 799 O CYS A 121 16.161 -43.190 -2.669 1.00 0.00 O ATOM 800 CB CYS A 121 13.302 -44.561 -3.777 1.00 0.00 C ATOM 801 SG CYS A 121 14.059 -43.684 -5.168 1.00 0.00 S ATOM 0 H CYS A 121 13.193 -42.207 -2.968 1.00 0.00 H new ATOM 0 HA CYS A 121 13.612 -44.742 -1.658 1.00 0.00 H new ATOM 0 HB2 CYS A 121 13.430 -45.637 -3.898 1.00 0.00 H new ATOM 0 HB3 CYS A 121 12.229 -44.368 -3.752 1.00 0.00 H new ATOM 0 HG CYS A 121 15.275 -44.110 -5.339 1.00 0.00 H new ATOM 807 N ARG A 122 15.969 -45.425 -2.577 1.00 0.00 N ATOM 808 CA ARG A 122 17.405 -45.644 -2.674 1.00 0.00 C ATOM 809 C ARG A 122 17.932 -45.217 -4.047 1.00 0.00 C ATOM 810 O ARG A 122 17.215 -45.301 -5.045 1.00 0.00 O ATOM 811 CB ARG A 122 17.712 -47.127 -2.435 1.00 0.00 C ATOM 812 CG ARG A 122 17.470 -47.491 -0.960 1.00 0.00 C ATOM 813 CD ARG A 122 18.710 -47.165 -0.116 1.00 0.00 C ATOM 814 NE ARG A 122 18.462 -47.500 1.281 1.00 0.00 N ATOM 815 CZ ARG A 122 18.603 -48.744 1.725 1.00 0.00 C ATOM 816 NH1 ARG A 122 18.968 -49.690 0.904 1.00 0.00 N ATOM 817 NH2 ARG A 122 18.373 -49.017 2.980 1.00 0.00 N ATOM 0 H ARG A 122 15.412 -46.276 -2.506 1.00 0.00 H new ATOM 0 HA ARG A 122 17.902 -45.039 -1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 122 17.083 -47.744 -3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.747 -47.339 -2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 122 16.609 -46.941 -0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 122 17.233 -48.552 -0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 122 19.570 -47.724 -0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 122 18.955 -46.107 -0.207 1.00 0.00 H new ATOM 0 HE ARG A 122 18.175 -46.766 1.929 1.00 0.00 H new ATOM 0 HH11 ARG A 122 19.145 -49.474 -0.077 1.00 0.00 H new ATOM 0 HH12 ARG A 122 19.077 -50.646 1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 122 18.085 -48.276 3.619 1.00 0.00 H new ATOM 0 HH22 ARG A 122 18.481 -49.972 3.322 1.00 0.00 H new ATOM 831 N PRO A 123 19.163 -44.762 -4.119 1.00 0.00 N ATOM 832 CA PRO A 123 19.777 -44.314 -5.408 1.00 0.00 C ATOM 833 C PRO A 123 20.014 -45.481 -6.370 1.00 0.00 C ATOM 834 O PRO A 123 20.252 -46.612 -5.948 1.00 0.00 O ATOM 835 CB PRO A 123 21.105 -43.671 -4.969 1.00 0.00 C ATOM 836 CG PRO A 123 21.441 -44.335 -3.676 1.00 0.00 C ATOM 837 CD PRO A 123 20.103 -44.611 -2.991 1.00 0.00 C ATOM 0 HA PRO A 123 19.132 -43.630 -5.959 1.00 0.00 H new ATOM 0 HB2 PRO A 123 21.887 -43.832 -5.711 1.00 0.00 H new ATOM 0 HB3 PRO A 123 21.001 -42.593 -4.845 1.00 0.00 H new ATOM 0 HG2 PRO A 123 21.993 -45.260 -3.843 1.00 0.00 H new ATOM 0 HG3 PRO A 123 22.071 -43.694 -3.059 1.00 0.00 H new ATOM 0 HD2 PRO A 123 20.144 -45.512 -2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 123 19.812 -43.792 -2.333 1.00 0.00 H new ATOM 845 N SER A 124 19.946 -45.187 -7.666 1.00 0.00 N ATOM 846 CA SER A 124 20.152 -46.210 -8.684 1.00 0.00 C ATOM 847 C SER A 124 21.583 -46.729 -8.633 1.00 0.00 C ATOM 848 O SER A 124 22.513 -45.980 -8.334 1.00 0.00 O ATOM 849 CB SER A 124 19.868 -45.627 -10.071 1.00 0.00 C ATOM 850 OG SER A 124 18.504 -45.234 -10.144 1.00 0.00 O ATOM 0 H SER A 124 19.751 -44.255 -8.033 1.00 0.00 H new ATOM 0 HA SER A 124 19.469 -47.037 -8.490 1.00 0.00 H new ATOM 0 HB2 SER A 124 20.516 -44.771 -10.258 1.00 0.00 H new ATOM 0 HB3 SER A 124 20.087 -46.367 -10.841 1.00 0.00 H new ATOM 0 HG SER A 124 18.319 -44.859 -11.030 1.00 0.00 H new ATOM 856 N ASP A 125 21.754 -48.014 -8.922 1.00 0.00 N ATOM 857 CA ASP A 125 23.079 -48.620 -8.902 1.00 0.00 C ATOM 858 C ASP A 125 23.976 -47.983 -9.959 1.00 0.00 C ATOM 859 O ASP A 125 23.593 -47.867 -11.123 1.00 0.00 O ATOM 860 CB ASP A 125 22.967 -50.124 -9.165 1.00 0.00 C ATOM 861 CG ASP A 125 24.323 -50.792 -8.963 1.00 0.00 C ATOM 862 OD1 ASP A 125 25.302 -50.074 -8.848 1.00 0.00 O ATOM 863 OD2 ASP A 125 24.360 -52.010 -8.926 1.00 0.00 O ATOM 0 H ASP A 125 20.998 -48.652 -9.171 1.00 0.00 H new ATOM 0 HA ASP A 125 23.520 -48.453 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP A 125 22.231 -50.565 -8.492 1.00 0.00 H new ATOM 0 HB3 ASP A 125 22.614 -50.298 -10.182 1.00 0.00 H new ATOM 868 N ALA A 126 25.168 -47.566 -9.544 1.00 0.00 N ATOM 869 CA ALA A 126 26.108 -46.937 -10.465 1.00 0.00 C ATOM 870 C ALA A 126 26.499 -47.898 -11.582 1.00 0.00 C ATOM 871 O ALA A 126 26.682 -47.488 -12.729 1.00 0.00 O ATOM 872 CB ALA A 126 27.364 -46.499 -9.711 1.00 0.00 C ATOM 0 H ALA A 126 25.504 -47.651 -8.585 1.00 0.00 H new ATOM 0 HA ALA A 126 25.621 -46.067 -10.905 1.00 0.00 H new ATOM 0 HB1 ALA A 126 28.061 -46.030 -10.406 1.00 0.00 H new ATOM 0 HB2 ALA A 126 27.091 -45.785 -8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 126 27.837 -47.369 -9.255 1.00 0.00 H new ATOM 878 N SER A 127 26.630 -49.176 -11.242 1.00 0.00 N ATOM 879 CA SER A 127 27.006 -50.180 -12.230 1.00 0.00 C ATOM 880 C SER A 127 25.809 -50.555 -13.099 1.00 0.00 C ATOM 881 O SER A 127 25.970 -51.111 -14.186 1.00 0.00 O ATOM 882 CB SER A 127 27.537 -51.428 -11.526 1.00 0.00 C ATOM 883 OG SER A 127 28.736 -51.102 -10.833 1.00 0.00 O ATOM 0 H SER A 127 26.483 -49.538 -10.300 1.00 0.00 H new ATOM 0 HA SER A 127 27.785 -49.761 -12.868 1.00 0.00 H new ATOM 0 HB2 SER A 127 26.792 -51.810 -10.828 1.00 0.00 H new ATOM 0 HB3 SER A 127 27.727 -52.217 -12.254 1.00 0.00 H new ATOM 0 HG SER A 127 29.079 -51.900 -10.379 1.00 0.00 H new ATOM 889 N ALA A 128 24.610 -50.239 -12.617 1.00 0.00 N ATOM 890 CA ALA A 128 23.390 -50.539 -13.360 1.00 0.00 C ATOM 891 C ALA A 128 23.044 -52.023 -13.245 1.00 0.00 C ATOM 892 O ALA A 128 22.139 -52.515 -13.919 1.00 0.00 O ATOM 893 CB ALA A 128 23.562 -50.149 -14.838 1.00 0.00 C ATOM 0 H ALA A 128 24.458 -49.778 -11.720 1.00 0.00 H new ATOM 0 HA ALA A 128 22.572 -49.958 -12.933 1.00 0.00 H new ATOM 0 HB1 ALA A 128 22.646 -50.377 -15.383 1.00 0.00 H new ATOM 0 HB2 ALA A 128 23.772 -49.082 -14.911 1.00 0.00 H new ATOM 0 HB3 ALA A 128 24.390 -50.712 -15.269 1.00 0.00 H new ATOM 899 N THR A 129 23.778 -52.733 -12.389 1.00 0.00 N ATOM 900 CA THR A 129 23.550 -54.163 -12.192 1.00 0.00 C ATOM 901 C THR A 129 22.512 -54.395 -11.102 1.00 0.00 C ATOM 902 O THR A 129 22.590 -53.812 -10.021 1.00 0.00 O ATOM 903 CB THR A 129 24.858 -54.854 -11.805 1.00 0.00 C ATOM 904 OG1 THR A 129 25.799 -54.697 -12.855 1.00 0.00 O ATOM 905 CG2 THR A 129 24.594 -56.341 -11.570 1.00 0.00 C ATOM 0 H THR A 129 24.532 -52.343 -11.823 1.00 0.00 H new ATOM 0 HA THR A 129 23.180 -54.583 -13.127 1.00 0.00 H new ATOM 0 HB THR A 129 25.254 -54.408 -10.893 1.00 0.00 H new ATOM 0 HG1 THR A 129 26.639 -55.137 -12.610 1.00 0.00 H new ATOM 0 HG21 THR A 129 25.525 -56.837 -11.294 1.00 0.00 H new ATOM 0 HG22 THR A 129 23.868 -56.459 -10.766 1.00 0.00 H new ATOM 0 HG23 THR A 129 24.201 -56.789 -12.482 1.00 0.00 H new ATOM 913 N ARG A 130 21.539 -55.247 -11.395 1.00 0.00 N ATOM 914 CA ARG A 130 20.490 -55.541 -10.429 1.00 0.00 C ATOM 915 C ARG A 130 21.051 -56.361 -9.272 1.00 0.00 C ATOM 916 O ARG A 130 21.728 -57.369 -9.481 1.00 0.00 O ATOM 917 CB ARG A 130 19.359 -56.323 -11.108 1.00 0.00 C ATOM 918 CG ARG A 130 18.156 -56.482 -10.163 1.00 0.00 C ATOM 919 CD ARG A 130 17.415 -55.150 -10.002 1.00 0.00 C ATOM 920 NE ARG A 130 16.096 -55.376 -9.425 1.00 0.00 N ATOM 921 CZ ARG A 130 15.267 -54.365 -9.206 1.00 0.00 C ATOM 922 NH1 ARG A 130 15.636 -53.150 -9.506 1.00 0.00 N ATOM 923 NH2 ARG A 130 14.088 -54.586 -8.696 1.00 0.00 N ATOM 0 H ARG A 130 21.454 -55.742 -12.283 1.00 0.00 H new ATOM 0 HA ARG A 130 20.100 -54.600 -10.042 1.00 0.00 H new ATOM 0 HB2 ARG A 130 19.048 -55.805 -12.015 1.00 0.00 H new ATOM 0 HB3 ARG A 130 19.721 -57.306 -11.410 1.00 0.00 H new ATOM 0 HG2 ARG A 130 17.476 -57.237 -10.556 1.00 0.00 H new ATOM 0 HG3 ARG A 130 18.496 -56.835 -9.189 1.00 0.00 H new ATOM 0 HD2 ARG A 130 17.990 -54.480 -9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 130 17.317 -54.660 -10.971 1.00 0.00 H new ATOM 0 HE ARG A 130 15.807 -56.325 -9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 130 16.559 -52.982 -9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 130 15.002 -52.369 -9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 130 13.802 -55.538 -8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 130 13.451 -53.807 -8.528 1.00 0.00 H new ATOM 937 N SER A 131 20.762 -55.924 -8.052 1.00 0.00 N ATOM 938 CA SER A 131 21.238 -56.625 -6.867 1.00 0.00 C ATOM 939 C SER A 131 20.458 -57.921 -6.667 1.00 0.00 C ATOM 940 O SER A 131 19.242 -57.878 -6.772 1.00 0.00 O ATOM 941 CB SER A 131 21.077 -55.735 -5.636 1.00 0.00 C ATOM 942 OG SER A 131 21.497 -54.413 -5.953 1.00 0.00 O ATOM 943 OXT SER A 131 21.086 -58.935 -6.411 1.00 0.00 O ATOM 0 H SER A 131 20.204 -55.093 -7.858 1.00 0.00 H new ATOM 0 HA SER A 131 22.292 -56.865 -7.005 1.00 0.00 H new ATOM 0 HB2 SER A 131 20.037 -55.730 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 131 21.668 -56.128 -4.809 1.00 0.00 H new ATOM 0 HG SER A 131 21.393 -53.839 -5.165 1.00 0.00 H new TER 949 SER A 131