USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 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 127 SER OG : rot -91:sc= 2.31 USER MOD Set 1.2: A 129 THR OG1 : rot 107:sc= 1.2 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -138:sc= -2.57! (180deg=-6.2!) USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= -0.0149 (180deg=-0.448) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 158:sc= -0.0724 (180deg=-0.694) USER MOD Single : A 92 SER OG : rot -32:sc= 0.653 USER MOD Single : A 94 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.22) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -6.36! C(o=-6.4!,f=-6.2!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.775 K(o=-0.78,f=-4.5!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -57:sc= 0.124 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot -59:sc= 0.695 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 19.718 -37.618 -13.871 1.00 0.00 N ATOM 2 CA GLY A -4 18.608 -38.406 -13.263 1.00 0.00 C ATOM 3 C GLY A -4 18.829 -38.517 -11.757 1.00 0.00 C ATOM 4 O GLY A -4 17.927 -38.244 -10.967 1.00 0.00 O ATOM 0 H1 GLY A -4 19.331 -36.962 -14.579 1.00 0.00 H new ATOM 0 H2 GLY A -4 20.207 -37.077 -13.129 1.00 0.00 H new ATOM 0 H3 GLY A -4 20.392 -38.264 -14.330 1.00 0.00 H new ATOM 0 HA2 GLY A -4 17.652 -37.924 -13.467 1.00 0.00 H new ATOM 0 HA3 GLY A -4 18.566 -39.399 -13.709 1.00 0.00 H new ATOM 10 N PRO A -3 20.009 -38.912 -11.354 1.00 0.00 N ATOM 11 CA PRO A -3 20.364 -39.066 -9.909 1.00 0.00 C ATOM 12 C PRO A -3 20.131 -37.776 -9.123 1.00 0.00 C ATOM 13 O PRO A -3 19.850 -37.811 -7.927 1.00 0.00 O ATOM 14 CB PRO A -3 21.858 -39.443 -9.938 1.00 0.00 C ATOM 15 CG PRO A -3 22.075 -40.026 -11.298 1.00 0.00 C ATOM 16 CD PRO A -3 21.142 -39.262 -12.228 1.00 0.00 C ATOM 0 HA PRO A -3 19.748 -39.813 -9.409 1.00 0.00 H new ATOM 0 HB2 PRO A -3 22.490 -38.570 -9.776 1.00 0.00 H new ATOM 0 HB3 PRO A -3 22.100 -40.162 -9.155 1.00 0.00 H new ATOM 0 HG2 PRO A -3 23.114 -39.917 -11.609 1.00 0.00 H new ATOM 0 HG3 PRO A -3 21.850 -41.092 -11.307 1.00 0.00 H new ATOM 0 HD2 PRO A -3 21.622 -38.374 -12.640 1.00 0.00 H new ATOM 0 HD3 PRO A -3 20.825 -39.874 -13.072 1.00 0.00 H new ATOM 24 N LEU A -2 20.257 -36.642 -9.804 1.00 0.00 N ATOM 25 CA LEU A -2 20.067 -35.342 -9.163 1.00 0.00 C ATOM 26 C LEU A -2 19.351 -34.384 -10.104 1.00 0.00 C ATOM 27 O LEU A -2 19.342 -34.583 -11.319 1.00 0.00 O ATOM 28 CB LEU A -2 21.431 -34.761 -8.779 1.00 0.00 C ATOM 29 CG LEU A -2 22.317 -34.579 -10.048 1.00 0.00 C ATOM 30 CD1 LEU A -2 22.325 -33.108 -10.483 1.00 0.00 C ATOM 31 CD2 LEU A -2 23.756 -35.020 -9.746 1.00 0.00 C ATOM 0 H LEU A -2 20.489 -36.595 -10.796 1.00 0.00 H new ATOM 0 HA LEU A -2 19.457 -35.475 -8.269 1.00 0.00 H new ATOM 0 HB2 LEU A -2 21.298 -33.801 -8.279 1.00 0.00 H new ATOM 0 HB3 LEU A -2 21.930 -35.423 -8.071 1.00 0.00 H new ATOM 0 HG LEU A -2 21.904 -35.191 -10.850 1.00 0.00 H new ATOM 0 HD11 LEU A -2 22.948 -32.994 -11.370 1.00 0.00 H new ATOM 0 HD12 LEU A -2 21.307 -32.790 -10.710 1.00 0.00 H new ATOM 0 HD13 LEU A -2 22.726 -32.493 -9.678 1.00 0.00 H new ATOM 0 HD21 LEU A -2 24.371 -34.891 -10.637 1.00 0.00 H new ATOM 0 HD22 LEU A -2 24.160 -34.414 -8.935 1.00 0.00 H new ATOM 0 HD23 LEU A -2 23.761 -36.069 -9.451 1.00 0.00 H new ATOM 43 N GLY A -1 18.750 -33.350 -9.534 1.00 0.00 N ATOM 44 CA GLY A -1 18.028 -32.365 -10.327 1.00 0.00 C ATOM 45 C GLY A -1 17.665 -31.148 -9.481 1.00 0.00 C ATOM 46 O GLY A -1 16.507 -30.959 -9.110 1.00 0.00 O ATOM 0 H GLY A -1 18.747 -33.171 -8.530 1.00 0.00 H new ATOM 0 HA2 GLY A -1 18.639 -32.055 -11.174 1.00 0.00 H new ATOM 0 HA3 GLY A -1 17.122 -32.813 -10.735 1.00 0.00 H new ATOM 50 N SER A 0 18.661 -30.322 -9.185 1.00 0.00 N ATOM 51 CA SER A 0 18.435 -29.125 -8.382 1.00 0.00 C ATOM 52 C SER A 0 17.634 -28.097 -9.172 1.00 0.00 C ATOM 53 O SER A 0 17.166 -27.100 -8.621 1.00 0.00 O ATOM 54 CB SER A 0 19.774 -28.518 -7.960 1.00 0.00 C ATOM 55 OG SER A 0 20.462 -28.050 -9.112 1.00 0.00 O ATOM 0 H SER A 0 19.626 -30.457 -9.486 1.00 0.00 H new ATOM 0 HA SER A 0 17.869 -29.406 -7.494 1.00 0.00 H new ATOM 0 HB2 SER A 0 19.610 -27.697 -7.262 1.00 0.00 H new ATOM 0 HB3 SER A 0 20.376 -29.263 -7.440 1.00 0.00 H new ATOM 0 HG SER A 0 21.320 -27.659 -8.844 1.00 0.00 H new ATOM 61 N ARG A 74 17.479 -28.345 -10.467 1.00 0.00 N ATOM 62 CA ARG A 74 16.733 -27.435 -11.326 1.00 0.00 C ATOM 63 C ARG A 74 15.259 -27.425 -10.939 1.00 0.00 C ATOM 64 O ARG A 74 14.520 -26.506 -11.294 1.00 0.00 O ATOM 65 CB ARG A 74 16.873 -27.861 -12.788 1.00 0.00 C ATOM 66 CG ARG A 74 18.325 -27.675 -13.232 1.00 0.00 C ATOM 67 CD ARG A 74 18.502 -28.226 -14.647 1.00 0.00 C ATOM 68 NE ARG A 74 17.723 -27.441 -15.597 1.00 0.00 N ATOM 69 CZ ARG A 74 17.629 -27.799 -16.873 1.00 0.00 C ATOM 70 NH1 ARG A 74 18.239 -28.874 -17.294 1.00 0.00 N ATOM 71 NH2 ARG A 74 16.929 -27.078 -17.705 1.00 0.00 N ATOM 0 H ARG A 74 17.858 -29.164 -10.943 1.00 0.00 H new ATOM 0 HA ARG A 74 17.140 -26.432 -11.200 1.00 0.00 H new ATOM 0 HB2 ARG A 74 16.575 -28.903 -12.905 1.00 0.00 H new ATOM 0 HB3 ARG A 74 16.209 -27.267 -13.417 1.00 0.00 H new ATOM 0 HG2 ARG A 74 18.591 -26.618 -13.206 1.00 0.00 H new ATOM 0 HG3 ARG A 74 18.995 -28.190 -12.544 1.00 0.00 H new ATOM 0 HD2 ARG A 74 19.556 -28.203 -14.924 1.00 0.00 H new ATOM 0 HD3 ARG A 74 18.186 -29.269 -14.681 1.00 0.00 H new ATOM 0 HE ARG A 74 17.241 -26.601 -15.276 1.00 0.00 H new ATOM 0 HH11 ARG A 74 18.787 -29.437 -16.644 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.168 -29.150 -18.273 1.00 0.00 H new ATOM 0 HH21 ARG A 74 16.453 -26.238 -17.376 1.00 0.00 H new ATOM 0 HH22 ARG A 74 16.858 -27.354 -18.684 1.00 0.00 H new ATOM 85 N LYS A 75 14.830 -28.459 -10.215 1.00 0.00 N ATOM 86 CA LYS A 75 13.434 -28.560 -9.791 1.00 0.00 C ATOM 87 C LYS A 75 13.196 -27.791 -8.502 1.00 0.00 C ATOM 88 O LYS A 75 12.060 -27.629 -8.060 1.00 0.00 O ATOM 89 CB LYS A 75 13.060 -30.030 -9.588 1.00 0.00 C ATOM 90 CG LYS A 75 13.074 -30.757 -10.933 1.00 0.00 C ATOM 91 CD LYS A 75 12.726 -32.233 -10.719 1.00 0.00 C ATOM 92 CE LYS A 75 12.746 -32.964 -12.063 1.00 0.00 C ATOM 93 NZ LYS A 75 11.670 -32.421 -12.938 1.00 0.00 N ATOM 0 H LYS A 75 15.423 -29.232 -9.912 1.00 0.00 H new ATOM 0 HA LYS A 75 12.809 -28.125 -10.571 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.763 -30.502 -8.901 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.072 -30.104 -9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.357 -30.298 -11.614 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.056 -30.667 -11.397 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.440 -32.690 -10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.742 -32.322 -10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.717 -32.840 -12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.600 -34.033 -11.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.476 -33.093 -13.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.806 -32.278 -12.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.976 -31.512 -13.341 1.00 0.00 H new ATOM 107 N ILE A 76 14.274 -27.306 -7.918 1.00 0.00 N ATOM 108 CA ILE A 76 14.189 -26.530 -6.679 1.00 0.00 C ATOM 109 C ILE A 76 13.956 -25.056 -6.988 1.00 0.00 C ATOM 110 O ILE A 76 14.719 -24.443 -7.733 1.00 0.00 O ATOM 111 CB ILE A 76 15.474 -26.685 -5.862 1.00 0.00 C ATOM 112 CG1 ILE A 76 15.622 -28.147 -5.428 1.00 0.00 C ATOM 113 CG2 ILE A 76 15.406 -25.790 -4.622 1.00 0.00 C ATOM 114 CD1 ILE A 76 17.020 -28.369 -4.847 1.00 0.00 C ATOM 0 H ILE A 76 15.221 -27.431 -8.275 1.00 0.00 H new ATOM 0 HA ILE A 76 13.349 -26.909 -6.098 1.00 0.00 H new ATOM 0 HB ILE A 76 16.330 -26.393 -6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.864 -28.395 -4.685 1.00 0.00 H new ATOM 0 HG13 ILE A 76 15.462 -28.808 -6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 76 16.322 -25.902 -4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 76 15.296 -24.750 -4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.551 -26.080 -4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 76 17.125 -29.409 -4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 76 17.770 -28.138 -5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 76 17.163 -27.718 -3.984 1.00 0.00 H new ATOM 126 N ALA A 77 12.900 -24.490 -6.408 1.00 0.00 N ATOM 127 CA ALA A 77 12.579 -23.081 -6.631 1.00 0.00 C ATOM 128 C ALA A 77 13.203 -22.212 -5.543 1.00 0.00 C ATOM 129 O ALA A 77 12.717 -22.173 -4.413 1.00 0.00 O ATOM 130 CB ALA A 77 11.063 -22.891 -6.625 1.00 0.00 C ATOM 0 H ALA A 77 12.257 -24.979 -5.786 1.00 0.00 H new ATOM 0 HA ALA A 77 12.983 -22.781 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.827 -21.840 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.618 -23.493 -7.417 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.661 -23.205 -5.662 1.00 0.00 H new ATOM 136 N GLN A 78 14.276 -21.511 -5.898 1.00 0.00 N ATOM 137 CA GLN A 78 14.961 -20.633 -4.953 1.00 0.00 C ATOM 138 C GLN A 78 14.309 -19.256 -4.936 1.00 0.00 C ATOM 139 O GLN A 78 13.711 -18.831 -5.925 1.00 0.00 O ATOM 140 CB GLN A 78 16.436 -20.501 -5.331 1.00 0.00 C ATOM 141 CG GLN A 78 17.112 -21.869 -5.227 1.00 0.00 C ATOM 142 CD GLN A 78 18.589 -21.748 -5.580 1.00 0.00 C ATOM 143 OE1 GLN A 78 18.934 -21.225 -6.638 1.00 0.00 O ATOM 144 NE2 GLN A 78 19.486 -22.206 -4.751 1.00 0.00 N ATOM 0 H GLN A 78 14.689 -21.533 -6.830 1.00 0.00 H new ATOM 0 HA GLN A 78 14.884 -21.071 -3.958 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.529 -20.113 -6.345 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.930 -19.788 -4.670 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.002 -22.262 -4.216 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.626 -22.576 -5.899 1.00 0.00 H new ATOM 0 HE21 GLN A 78 19.196 -22.639 -3.874 1.00 0.00 H new ATOM 0 HE22 GLN A 78 20.477 -22.131 -4.980 1.00 0.00 H new ATOM 153 N MET A 79 14.429 -18.559 -3.811 1.00 0.00 N ATOM 154 CA MET A 79 13.846 -17.226 -3.683 1.00 0.00 C ATOM 155 C MET A 79 14.485 -16.267 -4.683 1.00 0.00 C ATOM 156 O MET A 79 15.703 -16.265 -4.862 1.00 0.00 O ATOM 157 CB MET A 79 14.056 -16.706 -2.260 1.00 0.00 C ATOM 158 CG MET A 79 15.552 -16.683 -1.939 1.00 0.00 C ATOM 159 SD MET A 79 15.788 -16.237 -0.200 1.00 0.00 S ATOM 160 CE MET A 79 17.589 -16.405 -0.168 1.00 0.00 C ATOM 0 H MET A 79 14.920 -18.890 -2.981 1.00 0.00 H new ATOM 0 HA MET A 79 12.778 -17.288 -3.892 1.00 0.00 H new ATOM 0 HB2 MET A 79 13.637 -15.704 -2.162 1.00 0.00 H new ATOM 0 HB3 MET A 79 13.530 -17.342 -1.548 1.00 0.00 H new ATOM 0 HG2 MET A 79 15.993 -17.660 -2.138 1.00 0.00 H new ATOM 0 HG3 MET A 79 16.062 -15.966 -2.582 1.00 0.00 H new ATOM 0 HE1 MET A 79 17.958 -16.172 0.831 1.00 0.00 H new ATOM 0 HE2 MET A 79 17.864 -17.428 -0.427 1.00 0.00 H new ATOM 0 HE3 MET A 79 18.031 -15.717 -0.888 1.00 0.00 H new ATOM 170 N THR A 80 13.657 -15.451 -5.333 1.00 0.00 N ATOM 171 CA THR A 80 14.158 -14.493 -6.311 1.00 0.00 C ATOM 172 C THR A 80 14.676 -13.243 -5.613 1.00 0.00 C ATOM 173 O THR A 80 14.353 -12.991 -4.452 1.00 0.00 O ATOM 174 CB THR A 80 13.046 -14.116 -7.289 1.00 0.00 C ATOM 175 OG1 THR A 80 12.007 -13.454 -6.587 1.00 0.00 O ATOM 176 CG2 THR A 80 12.495 -15.383 -7.949 1.00 0.00 C ATOM 0 H THR A 80 12.646 -15.435 -5.201 1.00 0.00 H new ATOM 0 HA THR A 80 14.979 -14.954 -6.860 1.00 0.00 H new ATOM 0 HB THR A 80 13.444 -13.453 -8.057 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.293 -13.210 -7.213 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.702 -15.114 -8.647 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.295 -15.890 -8.488 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.095 -16.048 -7.183 1.00 0.00 H new ATOM 184 N GLU A 82 15.474 -12.457 -6.325 1.00 0.00 N ATOM 185 CA GLU A 82 16.023 -11.234 -5.756 1.00 0.00 C ATOM 186 C GLU A 82 14.898 -10.276 -5.389 1.00 0.00 C ATOM 187 O GLU A 82 14.934 -9.636 -4.337 1.00 0.00 O ATOM 188 CB GLU A 82 16.959 -10.569 -6.769 1.00 0.00 C ATOM 189 CG GLU A 82 18.230 -11.413 -6.935 1.00 0.00 C ATOM 190 CD GLU A 82 17.942 -12.636 -7.804 1.00 0.00 C ATOM 191 OE1 GLU A 82 16.901 -12.659 -8.441 1.00 0.00 O ATOM 192 OE2 GLU A 82 18.767 -13.534 -7.817 1.00 0.00 O ATOM 0 H GLU A 82 15.753 -12.642 -7.288 1.00 0.00 H new ATOM 0 HA GLU A 82 16.584 -11.483 -4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.454 -10.463 -7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.219 -9.565 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 82 19.017 -10.812 -7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.595 -11.730 -5.958 1.00 0.00 H new ATOM 199 N GLU A 83 13.896 -10.186 -6.254 1.00 0.00 N ATOM 200 CA GLU A 83 12.768 -9.307 -5.998 1.00 0.00 C ATOM 201 C GLU A 83 12.007 -9.786 -4.763 1.00 0.00 C ATOM 202 O GLU A 83 11.593 -8.984 -3.932 1.00 0.00 O ATOM 203 CB GLU A 83 11.830 -9.284 -7.209 1.00 0.00 C ATOM 204 CG GLU A 83 10.738 -8.226 -7.006 1.00 0.00 C ATOM 205 CD GLU A 83 11.358 -6.833 -7.042 1.00 0.00 C ATOM 206 OE1 GLU A 83 12.485 -6.720 -7.495 1.00 0.00 O ATOM 207 OE2 GLU A 83 10.695 -5.898 -6.623 1.00 0.00 O ATOM 0 H GLU A 83 13.843 -10.706 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 83 13.141 -8.298 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.396 -9.065 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.376 -10.265 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.980 -8.318 -7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.236 -8.386 -6.052 1.00 0.00 H new ATOM 214 N GLN A 84 11.821 -11.105 -4.646 1.00 0.00 N ATOM 215 CA GLN A 84 11.102 -11.662 -3.517 1.00 0.00 C ATOM 216 C GLN A 84 11.830 -11.353 -2.216 1.00 0.00 C ATOM 217 O GLN A 84 11.214 -10.978 -1.218 1.00 0.00 O ATOM 218 CB GLN A 84 10.980 -13.175 -3.697 1.00 0.00 C ATOM 219 CG GLN A 84 10.157 -13.749 -2.552 1.00 0.00 C ATOM 220 CD GLN A 84 9.919 -15.240 -2.770 1.00 0.00 C ATOM 221 OE1 GLN A 84 10.290 -15.783 -3.810 1.00 0.00 O ATOM 222 NE2 GLN A 84 9.319 -15.941 -1.846 1.00 0.00 N ATOM 0 H GLN A 84 12.159 -11.794 -5.318 1.00 0.00 H new ATOM 0 HA GLN A 84 10.109 -11.215 -3.470 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.506 -13.403 -4.652 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.969 -13.632 -3.715 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.676 -13.591 -1.607 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.203 -13.227 -2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.011 -15.491 -0.984 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.158 -16.938 -1.986 1.00 0.00 H new ATOM 231 N PHE A 85 13.147 -11.503 -2.236 1.00 0.00 N ATOM 232 CA PHE A 85 13.958 -11.230 -1.058 1.00 0.00 C ATOM 233 C PHE A 85 13.854 -9.761 -0.662 1.00 0.00 C ATOM 234 O PHE A 85 13.681 -9.433 0.513 1.00 0.00 O ATOM 235 CB PHE A 85 15.417 -11.593 -1.328 1.00 0.00 C ATOM 236 CG PHE A 85 16.242 -11.301 -0.096 1.00 0.00 C ATOM 237 CD1 PHE A 85 16.144 -12.137 1.024 1.00 0.00 C ATOM 238 CD2 PHE A 85 17.107 -10.200 -0.071 1.00 0.00 C ATOM 239 CE1 PHE A 85 16.909 -11.871 2.167 1.00 0.00 C ATOM 240 CE2 PHE A 85 17.872 -9.936 1.070 1.00 0.00 C ATOM 241 CZ PHE A 85 17.773 -10.770 2.189 1.00 0.00 C ATOM 0 H PHE A 85 13.675 -11.811 -3.052 1.00 0.00 H new ATOM 0 HA PHE A 85 13.584 -11.840 -0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 85 15.498 -12.647 -1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 85 15.795 -11.022 -2.176 1.00 0.00 H new ATOM 0 HD1 PHE A 85 15.478 -12.987 1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 85 17.184 -9.554 -0.933 1.00 0.00 H new ATOM 0 HE1 PHE A 85 16.832 -12.515 3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 85 18.540 -9.087 1.087 1.00 0.00 H new ATOM 0 HZ PHE A 85 18.363 -10.564 3.070 1.00 0.00 H new ATOM 251 N ALA A 86 13.969 -8.881 -1.650 1.00 0.00 N ATOM 252 CA ALA A 86 13.895 -7.448 -1.396 1.00 0.00 C ATOM 253 C ALA A 86 12.547 -7.079 -0.795 1.00 0.00 C ATOM 254 O ALA A 86 12.465 -6.257 0.116 1.00 0.00 O ATOM 255 CB ALA A 86 14.104 -6.675 -2.701 1.00 0.00 C ATOM 0 H ALA A 86 14.113 -9.133 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 86 14.679 -7.183 -0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.047 -5.605 -2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.084 -6.916 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.330 -6.953 -3.417 1.00 0.00 H new ATOM 261 N LEU A 87 11.491 -7.688 -1.309 1.00 0.00 N ATOM 262 CA LEU A 87 10.150 -7.410 -0.816 1.00 0.00 C ATOM 263 C LEU A 87 10.033 -7.779 0.655 1.00 0.00 C ATOM 264 O LEU A 87 9.397 -7.068 1.432 1.00 0.00 O ATOM 265 CB LEU A 87 9.114 -8.199 -1.652 1.00 0.00 C ATOM 266 CG LEU A 87 8.396 -7.252 -2.630 1.00 0.00 C ATOM 267 CD1 LEU A 87 7.535 -6.227 -1.834 1.00 0.00 C ATOM 268 CD2 LEU A 87 9.445 -6.517 -3.512 1.00 0.00 C ATOM 0 H LEU A 87 11.534 -8.374 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 87 9.952 -6.343 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.611 -8.996 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.387 -8.673 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 87 7.737 -7.829 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.029 -5.559 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.794 -6.760 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.179 -5.644 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.934 -5.847 -4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.115 -5.939 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.023 -7.249 -4.076 1.00 0.00 H new ATOM 280 N ALA A 88 10.636 -8.892 1.028 1.00 0.00 N ATOM 281 CA ALA A 88 10.572 -9.340 2.405 1.00 0.00 C ATOM 282 C ALA A 88 11.195 -8.302 3.329 1.00 0.00 C ATOM 283 O ALA A 88 10.647 -7.994 4.387 1.00 0.00 O ATOM 284 CB ALA A 88 11.314 -10.669 2.545 1.00 0.00 C ATOM 0 H ALA A 88 11.170 -9.497 0.404 1.00 0.00 H new ATOM 0 HA ALA A 88 9.527 -9.475 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.266 -11.005 3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.850 -11.415 1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.356 -10.536 2.255 1.00 0.00 H new ATOM 290 N LEU A 89 12.333 -7.760 2.919 1.00 0.00 N ATOM 291 CA LEU A 89 13.015 -6.751 3.717 1.00 0.00 C ATOM 292 C LEU A 89 12.224 -5.451 3.742 1.00 0.00 C ATOM 293 O LEU A 89 12.135 -4.788 4.771 1.00 0.00 O ATOM 294 CB LEU A 89 14.413 -6.492 3.152 1.00 0.00 C ATOM 295 CG LEU A 89 15.295 -7.734 3.361 1.00 0.00 C ATOM 296 CD1 LEU A 89 16.625 -7.545 2.622 1.00 0.00 C ATOM 297 CD2 LEU A 89 15.559 -7.968 4.870 1.00 0.00 C ATOM 0 H LEU A 89 12.801 -8.000 2.045 1.00 0.00 H new ATOM 0 HA LEU A 89 13.099 -7.125 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.348 -6.255 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.861 -5.629 3.645 1.00 0.00 H new ATOM 0 HG LEU A 89 14.776 -8.606 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.251 -8.425 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.434 -7.410 1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 89 17.137 -6.666 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.185 -8.851 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.067 -7.100 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.611 -8.118 5.386 1.00 0.00 H new ATOM 309 N LYS A 90 11.655 -5.093 2.602 1.00 0.00 N ATOM 310 CA LYS A 90 10.881 -3.865 2.506 1.00 0.00 C ATOM 311 C LYS A 90 9.662 -3.928 3.416 1.00 0.00 C ATOM 312 O LYS A 90 9.322 -2.950 4.085 1.00 0.00 O ATOM 313 CB LYS A 90 10.435 -3.652 1.063 1.00 0.00 C ATOM 314 CG LYS A 90 9.783 -2.270 0.928 1.00 0.00 C ATOM 315 CD LYS A 90 9.254 -2.075 -0.500 1.00 0.00 C ATOM 316 CE LYS A 90 10.411 -1.777 -1.461 1.00 0.00 C ATOM 317 NZ LYS A 90 9.863 -1.366 -2.780 1.00 0.00 N ATOM 0 H LYS A 90 11.713 -5.630 1.737 1.00 0.00 H new ATOM 0 HA LYS A 90 11.508 -3.031 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.290 -3.730 0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.729 -4.429 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.966 -2.173 1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.509 -1.492 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.725 -2.971 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.536 -1.256 -0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.042 -0.986 -1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.040 -2.660 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.646 -1.163 -3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.279 -2.134 -3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.280 -0.513 -2.663 1.00 0.00 H new ATOM 331 N MET A 91 9.007 -5.081 3.437 1.00 0.00 N ATOM 332 CA MET A 91 7.827 -5.259 4.270 1.00 0.00 C ATOM 333 C MET A 91 8.190 -5.114 5.742 1.00 0.00 C ATOM 334 O MET A 91 7.459 -4.490 6.512 1.00 0.00 O ATOM 335 CB MET A 91 7.217 -6.639 4.024 1.00 0.00 C ATOM 336 CG MET A 91 5.970 -6.815 4.897 1.00 0.00 C ATOM 337 SD MET A 91 5.170 -8.390 4.501 1.00 0.00 S ATOM 338 CE MET A 91 6.413 -9.487 5.229 1.00 0.00 C ATOM 0 H MET A 91 9.271 -5.901 2.891 1.00 0.00 H new ATOM 0 HA MET A 91 7.099 -4.491 4.009 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.955 -6.749 2.972 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.946 -7.416 4.254 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.245 -6.790 5.951 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.277 -5.991 4.729 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.961 -10.454 5.448 1.00 0.00 H new ATOM 0 HE2 MET A 91 7.235 -9.622 4.526 1.00 0.00 H new ATOM 0 HE3 MET A 91 6.792 -9.046 6.151 1.00 0.00 H new ATOM 348 N SER A 92 9.316 -5.701 6.130 1.00 0.00 N ATOM 349 CA SER A 92 9.756 -5.630 7.516 1.00 0.00 C ATOM 350 C SER A 92 10.027 -4.186 7.921 1.00 0.00 C ATOM 351 O SER A 92 9.708 -3.775 9.038 1.00 0.00 O ATOM 352 CB SER A 92 11.030 -6.457 7.694 1.00 0.00 C ATOM 353 OG SER A 92 12.057 -5.919 6.871 1.00 0.00 O ATOM 0 H SER A 92 9.934 -6.226 5.511 1.00 0.00 H new ATOM 0 HA SER A 92 8.966 -6.029 8.152 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.342 -6.446 8.738 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.842 -7.497 7.428 1.00 0.00 H new ATOM 0 HG SER A 92 11.661 -5.541 6.058 1.00 0.00 H new ATOM 359 N GLU A 93 10.617 -3.417 7.011 1.00 0.00 N ATOM 360 CA GLU A 93 10.922 -2.019 7.296 1.00 0.00 C ATOM 361 C GLU A 93 9.639 -1.203 7.425 1.00 0.00 C ATOM 362 O GLU A 93 9.533 -0.327 8.284 1.00 0.00 O ATOM 363 CB GLU A 93 11.782 -1.444 6.171 1.00 0.00 C ATOM 364 CG GLU A 93 13.161 -2.105 6.198 1.00 0.00 C ATOM 365 CD GLU A 93 13.962 -1.688 4.969 1.00 0.00 C ATOM 366 OE1 GLU A 93 13.525 -0.781 4.279 1.00 0.00 O ATOM 367 OE2 GLU A 93 14.996 -2.291 4.727 1.00 0.00 O ATOM 0 H GLU A 93 10.891 -3.733 6.081 1.00 0.00 H new ATOM 0 HA GLU A 93 11.465 -1.966 8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.303 -1.616 5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.881 -0.365 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.694 -1.818 7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.053 -3.189 6.222 1.00 0.00 H new ATOM 374 N GLN A 94 8.665 -1.497 6.569 1.00 0.00 N ATOM 375 CA GLN A 94 7.392 -0.785 6.599 1.00 0.00 C ATOM 376 C GLN A 94 6.604 -1.141 7.853 1.00 0.00 C ATOM 377 O GLN A 94 5.952 -0.285 8.450 1.00 0.00 O ATOM 378 CB GLN A 94 6.571 -1.133 5.354 1.00 0.00 C ATOM 379 CG GLN A 94 7.216 -0.501 4.117 1.00 0.00 C ATOM 380 CD GLN A 94 7.110 1.020 4.189 1.00 0.00 C ATOM 381 OE1 GLN A 94 8.121 1.709 4.310 1.00 0.00 O ATOM 382 NE2 GLN A 94 5.935 1.583 4.121 1.00 0.00 N ATOM 0 H GLN A 94 8.732 -2.218 5.851 1.00 0.00 H new ATOM 0 HA GLN A 94 7.596 0.286 6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.515 -2.215 5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.549 -0.772 5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.263 -0.798 4.052 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.724 -0.865 3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.099 1.008 4.021 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.853 2.599 4.168 1.00 0.00 H new ATOM 391 N GLU A 95 6.669 -2.410 8.247 1.00 0.00 N ATOM 392 CA GLU A 95 5.957 -2.875 9.433 1.00 0.00 C ATOM 393 C GLU A 95 6.806 -2.671 10.681 1.00 0.00 C ATOM 394 O GLU A 95 6.323 -2.826 11.801 1.00 0.00 O ATOM 395 CB GLU A 95 5.616 -4.359 9.286 1.00 0.00 C ATOM 396 CG GLU A 95 4.704 -4.556 8.074 1.00 0.00 C ATOM 397 CD GLU A 95 3.328 -3.962 8.354 1.00 0.00 C ATOM 398 OE1 GLU A 95 3.024 -3.744 9.515 1.00 0.00 O ATOM 399 OE2 GLU A 95 2.600 -3.732 7.403 1.00 0.00 O ATOM 0 H GLU A 95 7.205 -3.132 7.765 1.00 0.00 H new ATOM 0 HA GLU A 95 5.038 -2.297 9.533 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.529 -4.943 9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.123 -4.721 10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.143 -4.080 7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.611 -5.618 7.847 1.00 0.00 H new ATOM 406 N ALA A 96 8.073 -2.326 10.477 1.00 0.00 N ATOM 407 CA ALA A 96 8.987 -2.104 11.591 1.00 0.00 C ATOM 408 C ALA A 96 9.317 -3.425 12.279 1.00 0.00 C ATOM 409 O ALA A 96 10.164 -3.477 13.169 1.00 0.00 O ATOM 410 CB ALA A 96 8.357 -1.133 12.602 1.00 0.00 C ATOM 0 H ALA A 96 8.489 -2.195 9.555 1.00 0.00 H new ATOM 0 HA ALA A 96 9.909 -1.670 11.204 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.046 -0.973 13.431 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.151 -0.181 12.112 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.426 -1.555 12.981 1.00 0.00 H new ATOM 416 N ARG A 97 8.642 -4.491 11.859 1.00 0.00 N ATOM 417 CA ARG A 97 8.870 -5.807 12.446 1.00 0.00 C ATOM 418 C ARG A 97 9.981 -6.524 11.700 1.00 0.00 C ATOM 419 O ARG A 97 9.867 -6.781 10.504 1.00 0.00 O ATOM 420 CB ARG A 97 7.589 -6.640 12.374 1.00 0.00 C ATOM 421 CG ARG A 97 7.831 -8.003 13.027 1.00 0.00 C ATOM 422 CD ARG A 97 6.514 -8.773 13.102 1.00 0.00 C ATOM 423 NE ARG A 97 6.740 -10.103 13.658 1.00 0.00 N ATOM 424 CZ ARG A 97 5.724 -10.912 13.935 1.00 0.00 C ATOM 425 NH1 ARG A 97 4.499 -10.522 13.712 1.00 0.00 N ATOM 426 NH2 ARG A 97 5.951 -12.097 14.430 1.00 0.00 N ATOM 0 H ARG A 97 7.939 -4.470 11.121 1.00 0.00 H new ATOM 0 HA ARG A 97 9.160 -5.680 13.489 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.776 -6.121 12.881 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.285 -6.771 11.335 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.563 -8.569 12.451 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.245 -7.871 14.027 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.800 -8.229 13.721 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.076 -8.856 12.108 1.00 0.00 H new ATOM 0 HE ARG A 97 7.694 -10.416 13.837 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.321 -9.595 13.325 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.719 -11.144 13.925 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.909 -12.402 14.604 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.171 -12.719 14.643 1.00 0.00 H new ATOM 440 N GLU A 98 11.056 -6.846 12.413 1.00 0.00 N ATOM 441 CA GLU A 98 12.189 -7.536 11.802 1.00 0.00 C ATOM 442 C GLU A 98 12.044 -9.044 11.964 1.00 0.00 C ATOM 443 O GLU A 98 12.114 -9.571 13.074 1.00 0.00 O ATOM 444 CB GLU A 98 13.490 -7.074 12.459 1.00 0.00 C ATOM 445 CG GLU A 98 14.695 -7.623 11.682 1.00 0.00 C ATOM 446 CD GLU A 98 14.947 -9.085 12.047 1.00 0.00 C ATOM 447 OE1 GLU A 98 14.537 -9.492 13.122 1.00 0.00 O ATOM 448 OE2 GLU A 98 15.551 -9.775 11.243 1.00 0.00 O ATOM 0 H GLU A 98 11.167 -6.643 13.406 1.00 0.00 H new ATOM 0 HA GLU A 98 12.211 -7.296 10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.528 -5.985 12.483 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.527 -7.417 13.493 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.515 -7.536 10.611 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.581 -7.028 11.906 1.00 0.00 H new ATOM 455 N VAL A 99 11.846 -9.735 10.846 1.00 0.00 N ATOM 456 CA VAL A 99 11.690 -11.188 10.873 1.00 0.00 C ATOM 457 C VAL A 99 13.051 -11.867 10.889 1.00 0.00 C ATOM 458 O VAL A 99 14.021 -11.340 10.346 1.00 0.00 O ATOM 459 CB VAL A 99 10.910 -11.652 9.643 1.00 0.00 C ATOM 460 CG1 VAL A 99 10.342 -13.052 9.892 1.00 0.00 C ATOM 461 CG2 VAL A 99 9.761 -10.675 9.366 1.00 0.00 C ATOM 0 H VAL A 99 11.790 -9.318 9.917 1.00 0.00 H new ATOM 0 HA VAL A 99 11.144 -11.459 11.776 1.00 0.00 H new ATOM 0 HB VAL A 99 11.578 -11.681 8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 99 9.786 -13.381 9.014 1.00 0.00 H new ATOM 0 HG12 VAL A 99 11.159 -13.747 10.086 1.00 0.00 H new ATOM 0 HG13 VAL A 99 9.676 -13.026 10.754 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.205 -11.006 8.489 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.094 -10.644 10.228 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.166 -9.679 9.184 1.00 0.00 H new ATOM 471 N ASN A 100 13.118 -13.037 11.510 1.00 0.00 N ATOM 472 CA ASN A 100 14.378 -13.760 11.576 1.00 0.00 C ATOM 473 C ASN A 100 14.677 -14.434 10.237 1.00 0.00 C ATOM 474 O ASN A 100 13.891 -15.246 9.743 1.00 0.00 O ATOM 475 CB ASN A 100 14.293 -14.827 12.671 1.00 0.00 C ATOM 476 CG ASN A 100 14.012 -14.171 14.021 1.00 0.00 C ATOM 477 OD1 ASN A 100 14.650 -13.182 14.376 1.00 0.00 O ATOM 478 ND2 ASN A 100 13.083 -14.667 14.797 1.00 0.00 N ATOM 0 H ASN A 100 12.331 -13.498 11.967 1.00 0.00 H new ATOM 0 HA ASN A 100 15.178 -13.055 11.803 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.504 -15.541 12.434 1.00 0.00 H new ATOM 0 HB3 ASN A 100 15.227 -15.387 12.717 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.887 -14.233 15.699 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.555 -15.488 14.500 1.00 0.00 H new ATOM 485 N SER A 101 15.830 -14.105 9.678 1.00 0.00 N ATOM 486 CA SER A 101 16.256 -14.677 8.404 1.00 0.00 C ATOM 487 C SER A 101 16.536 -16.165 8.553 1.00 0.00 C ATOM 488 O SER A 101 16.588 -16.901 7.570 1.00 0.00 O ATOM 489 CB SER A 101 17.509 -13.970 7.894 1.00 0.00 C ATOM 490 OG SER A 101 17.198 -12.612 7.611 1.00 0.00 O ATOM 0 H SER A 101 16.491 -13.444 10.085 1.00 0.00 H new ATOM 0 HA SER A 101 15.449 -14.538 7.684 1.00 0.00 H new ATOM 0 HB2 SER A 101 18.302 -14.026 8.640 1.00 0.00 H new ATOM 0 HB3 SER A 101 17.880 -14.465 6.997 1.00 0.00 H new ATOM 0 HG SER A 101 18.000 -12.154 7.285 1.00 0.00 H new ATOM 496 N GLN A 102 16.728 -16.599 9.791 1.00 0.00 N ATOM 497 CA GLN A 102 17.018 -17.998 10.057 1.00 0.00 C ATOM 498 C GLN A 102 15.864 -18.873 9.582 1.00 0.00 C ATOM 499 O GLN A 102 16.082 -19.980 9.092 1.00 0.00 O ATOM 500 CB GLN A 102 17.239 -18.216 11.558 1.00 0.00 C ATOM 501 CG GLN A 102 17.875 -19.590 11.808 1.00 0.00 C ATOM 502 CD GLN A 102 16.861 -20.700 11.549 1.00 0.00 C ATOM 503 OE1 GLN A 102 17.233 -21.788 11.110 1.00 0.00 O ATOM 504 NE2 GLN A 102 15.595 -20.489 11.790 1.00 0.00 N ATOM 0 H GLN A 102 16.688 -16.006 10.620 1.00 0.00 H new ATOM 0 HA GLN A 102 17.924 -18.273 9.517 1.00 0.00 H new ATOM 0 HB2 GLN A 102 17.883 -17.432 11.955 1.00 0.00 H new ATOM 0 HB3 GLN A 102 16.288 -18.146 12.087 1.00 0.00 H new ATOM 0 HG2 GLN A 102 18.741 -19.721 11.159 1.00 0.00 H new ATOM 0 HG3 GLN A 102 18.235 -19.650 12.835 1.00 0.00 H new ATOM 0 HE21 GLN A 102 15.289 -19.587 12.154 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.913 -21.227 11.614 1.00 0.00 H new ATOM 513 N GLU A 103 14.637 -18.385 9.737 1.00 0.00 N ATOM 514 CA GLU A 103 13.477 -19.164 9.319 1.00 0.00 C ATOM 515 C GLU A 103 13.506 -19.418 7.811 1.00 0.00 C ATOM 516 O GLU A 103 13.230 -20.528 7.349 1.00 0.00 O ATOM 517 CB GLU A 103 12.200 -18.404 9.683 1.00 0.00 C ATOM 518 CG GLU A 103 12.021 -18.399 11.202 1.00 0.00 C ATOM 519 CD GLU A 103 10.805 -17.557 11.581 1.00 0.00 C ATOM 520 OE1 GLU A 103 10.285 -16.877 10.712 1.00 0.00 O ATOM 521 OE2 GLU A 103 10.412 -17.609 12.735 1.00 0.00 O ATOM 0 H GLU A 103 14.422 -17.473 10.140 1.00 0.00 H new ATOM 0 HA GLU A 103 13.500 -20.125 9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.255 -17.381 9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.338 -18.872 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.895 -19.419 11.565 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.915 -17.998 11.681 1.00 0.00 H new ATOM 528 N GLU A 104 13.856 -18.390 7.049 1.00 0.00 N ATOM 529 CA GLU A 104 13.926 -18.519 5.598 1.00 0.00 C ATOM 530 C GLU A 104 15.077 -19.430 5.197 1.00 0.00 C ATOM 531 O GLU A 104 14.946 -20.253 4.290 1.00 0.00 O ATOM 532 CB GLU A 104 14.107 -17.137 4.965 1.00 0.00 C ATOM 533 CG GLU A 104 12.817 -16.318 5.112 1.00 0.00 C ATOM 534 CD GLU A 104 12.691 -15.777 6.532 1.00 0.00 C ATOM 535 OE1 GLU A 104 13.635 -15.928 7.289 1.00 0.00 O ATOM 536 OE2 GLU A 104 11.650 -15.222 6.843 1.00 0.00 O ATOM 0 H GLU A 104 14.094 -17.465 7.407 1.00 0.00 H new ATOM 0 HA GLU A 104 12.996 -18.961 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.935 -16.615 5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.363 -17.242 3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.819 -15.492 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.954 -16.941 4.875 1.00 0.00 H new ATOM 543 N GLU A 105 16.202 -19.284 5.883 1.00 0.00 N ATOM 544 CA GLU A 105 17.369 -20.103 5.597 1.00 0.00 C ATOM 545 C GLU A 105 17.079 -21.560 5.923 1.00 0.00 C ATOM 546 O GLU A 105 17.507 -22.463 5.208 1.00 0.00 O ATOM 547 CB GLU A 105 18.568 -19.616 6.414 1.00 0.00 C ATOM 548 CG GLU A 105 18.989 -18.225 5.930 1.00 0.00 C ATOM 549 CD GLU A 105 19.557 -18.309 4.517 1.00 0.00 C ATOM 550 OE1 GLU A 105 20.084 -19.354 4.171 1.00 0.00 O ATOM 551 OE2 GLU A 105 19.452 -17.328 3.799 1.00 0.00 O ATOM 0 H GLU A 105 16.330 -18.610 6.637 1.00 0.00 H new ATOM 0 HA GLU A 105 17.605 -20.017 4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 105 18.310 -19.581 7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 105 19.398 -20.315 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.132 -17.552 5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.735 -17.807 6.606 1.00 0.00 H new ATOM 558 N GLU A 106 16.345 -21.781 7.006 1.00 0.00 N ATOM 559 CA GLU A 106 16.008 -23.135 7.419 1.00 0.00 C ATOM 560 C GLU A 106 15.214 -23.832 6.325 1.00 0.00 C ATOM 561 O GLU A 106 15.458 -24.998 6.020 1.00 0.00 O ATOM 562 CB GLU A 106 15.179 -23.093 8.706 1.00 0.00 C ATOM 563 CG GLU A 106 14.860 -24.519 9.165 1.00 0.00 C ATOM 564 CD GLU A 106 14.123 -24.486 10.498 1.00 0.00 C ATOM 565 OE1 GLU A 106 13.859 -23.396 10.981 1.00 0.00 O ATOM 566 OE2 GLU A 106 13.835 -25.551 11.018 1.00 0.00 O ATOM 0 H GLU A 106 15.975 -21.046 7.609 1.00 0.00 H new ATOM 0 HA GLU A 106 16.930 -23.689 7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 106 15.728 -22.564 9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.255 -22.541 8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.250 -25.023 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.782 -25.093 9.264 1.00 0.00 H new ATOM 573 N GLU A 107 14.268 -23.113 5.732 1.00 0.00 N ATOM 574 CA GLU A 107 13.453 -23.686 4.671 1.00 0.00 C ATOM 575 C GLU A 107 14.332 -24.095 3.492 1.00 0.00 C ATOM 576 O GLU A 107 14.172 -25.183 2.934 1.00 0.00 O ATOM 577 CB GLU A 107 12.415 -22.660 4.209 1.00 0.00 C ATOM 578 CG GLU A 107 11.505 -23.288 3.151 1.00 0.00 C ATOM 579 CD GLU A 107 10.433 -22.290 2.728 1.00 0.00 C ATOM 580 OE1 GLU A 107 10.496 -21.157 3.176 1.00 0.00 O ATOM 581 OE2 GLU A 107 9.560 -22.676 1.968 1.00 0.00 O ATOM 0 H GLU A 107 14.049 -22.144 5.965 1.00 0.00 H new ATOM 0 HA GLU A 107 12.944 -24.570 5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 107 11.822 -22.321 5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.914 -21.782 3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.094 -23.590 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 107 11.038 -24.189 3.549 1.00 0.00 H new ATOM 588 N GLU A 108 15.261 -23.219 3.116 1.00 0.00 N ATOM 589 CA GLU A 108 16.165 -23.504 2.002 1.00 0.00 C ATOM 590 C GLU A 108 17.119 -24.641 2.358 1.00 0.00 C ATOM 591 O GLU A 108 17.392 -25.518 1.538 1.00 0.00 O ATOM 592 CB GLU A 108 16.960 -22.236 1.642 1.00 0.00 C ATOM 593 CG GLU A 108 16.093 -21.311 0.781 1.00 0.00 C ATOM 594 CD GLU A 108 14.847 -20.892 1.550 1.00 0.00 C ATOM 595 OE1 GLU A 108 13.957 -21.716 1.681 1.00 0.00 O ATOM 596 OE2 GLU A 108 14.797 -19.756 1.986 1.00 0.00 O ATOM 0 H GLU A 108 15.408 -22.313 3.561 1.00 0.00 H new ATOM 0 HA GLU A 108 15.573 -23.814 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 108 17.270 -21.719 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 108 17.868 -22.505 1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 108 16.665 -20.429 0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 108 15.807 -21.821 -0.139 1.00 0.00 H new ATOM 603 N LEU A 109 17.622 -24.619 3.583 1.00 0.00 N ATOM 604 CA LEU A 109 18.541 -25.651 4.038 1.00 0.00 C ATOM 605 C LEU A 109 17.861 -27.005 4.063 1.00 0.00 C ATOM 606 O LEU A 109 18.459 -28.019 3.707 1.00 0.00 O ATOM 607 CB LEU A 109 19.065 -25.304 5.432 1.00 0.00 C ATOM 608 CG LEU A 109 20.040 -24.119 5.341 1.00 0.00 C ATOM 609 CD1 LEU A 109 20.291 -23.562 6.746 1.00 0.00 C ATOM 610 CD2 LEU A 109 21.384 -24.567 4.718 1.00 0.00 C ATOM 0 H LEU A 109 17.411 -23.902 4.277 1.00 0.00 H new ATOM 0 HA LEU A 109 19.377 -25.699 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 109 18.234 -25.053 6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 109 19.568 -26.168 5.867 1.00 0.00 H new ATOM 0 HG LEU A 109 19.600 -23.349 4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 109 20.982 -22.721 6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 109 19.348 -23.227 7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 109 20.721 -24.341 7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 109 22.061 -23.715 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 109 21.831 -25.345 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 109 21.208 -24.957 3.716 1.00 0.00 H new ATOM 622 N LEU A 110 16.611 -27.014 4.480 1.00 0.00 N ATOM 623 CA LEU A 110 15.866 -28.252 4.546 1.00 0.00 C ATOM 624 C LEU A 110 15.744 -28.876 3.164 1.00 0.00 C ATOM 625 O LEU A 110 15.930 -30.079 3.002 1.00 0.00 O ATOM 626 CB LEU A 110 14.475 -27.984 5.119 1.00 0.00 C ATOM 627 CG LEU A 110 13.640 -29.301 5.136 1.00 0.00 C ATOM 628 CD1 LEU A 110 12.865 -29.413 6.451 1.00 0.00 C ATOM 629 CD2 LEU A 110 12.644 -29.310 3.963 1.00 0.00 C ATOM 0 H LEU A 110 16.095 -26.185 4.775 1.00 0.00 H new ATOM 0 HA LEU A 110 16.398 -28.948 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 110 14.560 -27.585 6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 110 13.966 -27.229 4.520 1.00 0.00 H new ATOM 0 HG LEU A 110 14.322 -30.146 5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 110 12.285 -30.336 6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 110 13.565 -29.422 7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 110 12.192 -28.561 6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 110 12.066 -30.234 3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.970 -28.458 4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.190 -29.245 3.022 1.00 0.00 H new ATOM 641 N ARG A 111 15.429 -28.053 2.174 1.00 0.00 N ATOM 642 CA ARG A 111 15.281 -28.545 0.812 1.00 0.00 C ATOM 643 C ARG A 111 16.592 -29.128 0.304 1.00 0.00 C ATOM 644 O ARG A 111 16.611 -30.162 -0.362 1.00 0.00 O ATOM 645 CB ARG A 111 14.839 -27.394 -0.097 1.00 0.00 C ATOM 646 CG ARG A 111 13.371 -27.022 0.187 1.00 0.00 C ATOM 647 CD ARG A 111 12.430 -27.955 -0.584 1.00 0.00 C ATOM 648 NE ARG A 111 12.710 -27.867 -2.011 1.00 0.00 N ATOM 649 CZ ARG A 111 12.203 -28.746 -2.865 1.00 0.00 C ATOM 650 NH1 ARG A 111 11.443 -29.710 -2.428 1.00 0.00 N ATOM 651 NH2 ARG A 111 12.476 -28.652 -4.139 1.00 0.00 N ATOM 0 H ARG A 111 15.272 -27.051 2.286 1.00 0.00 H new ATOM 0 HA ARG A 111 14.528 -29.333 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 111 15.479 -26.527 0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 111 14.953 -27.683 -1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.170 -27.093 1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.188 -25.988 -0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.559 -28.982 -0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.393 -27.682 -0.390 1.00 0.00 H new ATOM 0 HE ARG A 111 13.306 -27.116 -2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.239 -29.787 -1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.052 -30.387 -3.082 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.079 -27.902 -4.477 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.086 -29.328 -4.795 1.00 0.00 H new ATOM 665 N LYS A 112 17.683 -28.458 0.624 1.00 0.00 N ATOM 666 CA LYS A 112 18.999 -28.914 0.200 1.00 0.00 C ATOM 667 C LYS A 112 19.374 -30.205 0.915 1.00 0.00 C ATOM 668 O LYS A 112 20.021 -31.076 0.336 1.00 0.00 O ATOM 669 CB LYS A 112 20.040 -27.836 0.496 1.00 0.00 C ATOM 670 CG LYS A 112 19.761 -26.581 -0.345 1.00 0.00 C ATOM 671 CD LYS A 112 20.114 -26.826 -1.820 1.00 0.00 C ATOM 672 CE LYS A 112 20.100 -25.502 -2.573 1.00 0.00 C ATOM 673 NZ LYS A 112 20.455 -25.753 -3.997 1.00 0.00 N ATOM 0 H LYS A 112 17.687 -27.599 1.174 1.00 0.00 H new ATOM 0 HA LYS A 112 18.972 -29.106 -0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 112 20.021 -27.583 1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 112 21.038 -28.215 0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 112 18.710 -26.305 -0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 112 20.343 -25.743 0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 112 21.097 -27.290 -1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 112 19.399 -27.518 -2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 112 19.115 -25.041 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 112 20.809 -24.806 -2.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 20.448 -24.854 -4.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 21.403 -26.177 -4.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 19.762 -26.404 -4.418 1.00 0.00 H new ATOM 687 N ALA A 113 18.974 -30.316 2.173 1.00 0.00 N ATOM 688 CA ALA A 113 19.289 -31.504 2.955 1.00 0.00 C ATOM 689 C ALA A 113 18.683 -32.743 2.305 1.00 0.00 C ATOM 690 O ALA A 113 19.323 -33.793 2.228 1.00 0.00 O ATOM 691 CB ALA A 113 18.737 -31.345 4.374 1.00 0.00 C ATOM 0 H ALA A 113 18.436 -29.607 2.671 1.00 0.00 H new ATOM 0 HA ALA A 113 20.372 -31.623 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 113 18.973 -32.234 4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 113 19.189 -30.471 4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 113 17.656 -31.216 4.331 1.00 0.00 H new ATOM 697 N ILE A 114 17.453 -32.614 1.828 1.00 0.00 N ATOM 698 CA ILE A 114 16.777 -33.732 1.176 1.00 0.00 C ATOM 699 C ILE A 114 17.439 -34.049 -0.153 1.00 0.00 C ATOM 700 O ILE A 114 17.592 -35.212 -0.519 1.00 0.00 O ATOM 701 CB ILE A 114 15.298 -33.402 0.959 1.00 0.00 C ATOM 702 CG1 ILE A 114 14.631 -33.117 2.314 1.00 0.00 C ATOM 703 CG2 ILE A 114 14.596 -34.582 0.286 1.00 0.00 C ATOM 704 CD1 ILE A 114 14.771 -34.319 3.273 1.00 0.00 C ATOM 0 H ILE A 114 16.905 -31.755 1.878 1.00 0.00 H new ATOM 0 HA ILE A 114 16.853 -34.607 1.822 1.00 0.00 H new ATOM 0 HB ILE A 114 15.218 -32.523 0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 114 15.083 -32.234 2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.575 -32.892 2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 114 13.544 -34.341 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 114 15.065 -34.783 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 114 14.678 -35.464 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 114 14.289 -34.085 4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 114 14.296 -35.195 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 114 15.827 -34.527 3.444 1.00 0.00 H new ATOM 716 N ALA A 115 17.824 -33.007 -0.877 1.00 0.00 N ATOM 717 CA ALA A 115 18.460 -33.190 -2.173 1.00 0.00 C ATOM 718 C ALA A 115 19.758 -33.974 -2.020 1.00 0.00 C ATOM 719 O ALA A 115 20.058 -34.858 -2.823 1.00 0.00 O ATOM 720 CB ALA A 115 18.759 -31.828 -2.801 1.00 0.00 C ATOM 0 H ALA A 115 17.708 -32.035 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 115 17.782 -33.748 -2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 115 19.235 -31.971 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 115 17.829 -31.275 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 115 19.427 -31.265 -2.149 1.00 0.00 H new ATOM 726 N GLU A 116 20.524 -33.651 -0.987 1.00 0.00 N ATOM 727 CA GLU A 116 21.784 -34.341 -0.748 1.00 0.00 C ATOM 728 C GLU A 116 21.538 -35.814 -0.432 1.00 0.00 C ATOM 729 O GLU A 116 22.253 -36.690 -0.916 1.00 0.00 O ATOM 730 CB GLU A 116 22.526 -33.684 0.419 1.00 0.00 C ATOM 731 CG GLU A 116 23.908 -34.331 0.590 1.00 0.00 C ATOM 732 CD GLU A 116 23.788 -35.666 1.326 1.00 0.00 C ATOM 733 OE1 GLU A 116 22.860 -35.814 2.104 1.00 0.00 O ATOM 734 OE2 GLU A 116 24.627 -36.522 1.096 1.00 0.00 O ATOM 0 H GLU A 116 20.299 -32.924 -0.308 1.00 0.00 H new ATOM 0 HA GLU A 116 22.391 -34.271 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 116 22.635 -32.615 0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 116 21.948 -33.793 1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 116 24.366 -34.488 -0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 116 24.564 -33.660 1.146 1.00 0.00 H new ATOM 741 N SER A 117 20.523 -36.077 0.383 1.00 0.00 N ATOM 742 CA SER A 117 20.198 -37.447 0.760 1.00 0.00 C ATOM 743 C SER A 117 19.817 -38.261 -0.474 1.00 0.00 C ATOM 744 O SER A 117 20.216 -39.415 -0.617 1.00 0.00 O ATOM 745 CB SER A 117 19.042 -37.450 1.760 1.00 0.00 C ATOM 746 OG SER A 117 18.743 -38.791 2.126 1.00 0.00 O ATOM 0 H SER A 117 19.916 -35.367 0.792 1.00 0.00 H new ATOM 0 HA SER A 117 21.075 -37.900 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 117 19.309 -36.870 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 117 18.164 -36.976 1.321 1.00 0.00 H new ATOM 0 HG SER A 117 18.003 -38.797 2.769 1.00 0.00 H new ATOM 752 N LEU A 118 19.044 -37.649 -1.359 1.00 0.00 N ATOM 753 CA LEU A 118 18.616 -38.321 -2.580 1.00 0.00 C ATOM 754 C LEU A 118 19.799 -38.557 -3.506 1.00 0.00 C ATOM 755 O LEU A 118 19.865 -39.575 -4.195 1.00 0.00 O ATOM 756 CB LEU A 118 17.562 -37.476 -3.297 1.00 0.00 C ATOM 757 CG LEU A 118 16.271 -37.447 -2.464 1.00 0.00 C ATOM 758 CD1 LEU A 118 15.320 -36.392 -3.042 1.00 0.00 C ATOM 759 CD2 LEU A 118 15.577 -38.828 -2.481 1.00 0.00 C ATOM 0 H LEU A 118 18.701 -36.694 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 118 18.186 -39.286 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 118 17.934 -36.462 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 118 17.360 -37.890 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 118 16.525 -37.198 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 118 14.403 -36.368 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 118 15.798 -35.413 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 118 15.082 -36.644 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 118 14.665 -38.784 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.327 -39.097 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 118 16.248 -39.578 -2.063 1.00 0.00 H new ATOM 771 N ASN A 119 20.727 -37.611 -3.523 1.00 0.00 N ATOM 772 CA ASN A 119 21.901 -37.726 -4.378 1.00 0.00 C ATOM 773 C ASN A 119 22.871 -38.759 -3.818 1.00 0.00 C ATOM 774 O ASN A 119 23.742 -39.255 -4.532 1.00 0.00 O ATOM 775 CB ASN A 119 22.600 -36.369 -4.477 1.00 0.00 C ATOM 776 CG ASN A 119 21.759 -35.406 -5.305 1.00 0.00 C ATOM 777 OD1 ASN A 119 20.880 -35.837 -6.050 1.00 0.00 O ATOM 778 ND2 ASN A 119 21.974 -34.120 -5.217 1.00 0.00 N ATOM 0 H ASN A 119 20.692 -36.761 -2.960 1.00 0.00 H new ATOM 0 HA ASN A 119 21.580 -38.047 -5.369 1.00 0.00 H new ATOM 0 HB2 ASN A 119 22.759 -35.960 -3.479 1.00 0.00 H new ATOM 0 HB3 ASN A 119 23.583 -36.490 -4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 119 21.412 -33.470 -5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 119 22.704 -33.766 -4.598 1.00 0.00 H new ATOM 785 N SER A 120 22.709 -39.087 -2.542 1.00 0.00 N ATOM 786 CA SER A 120 23.571 -40.073 -1.899 1.00 0.00 C ATOM 787 C SER A 120 23.220 -41.480 -2.372 1.00 0.00 C ATOM 788 O SER A 120 22.044 -41.814 -2.530 1.00 0.00 O ATOM 789 CB SER A 120 23.425 -39.985 -0.381 1.00 0.00 C ATOM 790 OG SER A 120 24.214 -41.001 0.224 1.00 0.00 O ATOM 0 H SER A 120 21.993 -38.688 -1.934 1.00 0.00 H new ATOM 0 HA SER A 120 24.604 -39.860 -2.173 1.00 0.00 H new ATOM 0 HB2 SER A 120 23.743 -39.003 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 120 22.379 -40.102 -0.097 1.00 0.00 H new ATOM 0 HG SER A 120 24.125 -40.948 1.198 1.00 0.00 H new ATOM 796 N CYS A 121 24.241 -42.302 -2.594 1.00 0.00 N ATOM 797 CA CYS A 121 24.023 -43.671 -3.051 1.00 0.00 C ATOM 798 C CYS A 121 23.536 -44.544 -1.905 1.00 0.00 C ATOM 799 O CYS A 121 24.005 -44.418 -0.773 1.00 0.00 O ATOM 800 CB CYS A 121 25.319 -44.246 -3.615 1.00 0.00 C ATOM 801 SG CYS A 121 25.018 -45.922 -4.226 1.00 0.00 S ATOM 0 H CYS A 121 25.220 -42.047 -2.466 1.00 0.00 H new ATOM 0 HA CYS A 121 23.263 -43.656 -3.832 1.00 0.00 H new ATOM 0 HB2 CYS A 121 25.689 -43.614 -4.422 1.00 0.00 H new ATOM 0 HB3 CYS A 121 26.089 -44.261 -2.844 1.00 0.00 H new ATOM 0 HG CYS A 121 24.543 -46.656 -3.264 1.00 0.00 H new ATOM 807 N ARG A 122 22.579 -45.416 -2.201 1.00 0.00 N ATOM 808 CA ARG A 122 22.022 -46.282 -1.176 1.00 0.00 C ATOM 809 C ARG A 122 23.005 -47.393 -0.808 1.00 0.00 C ATOM 810 O ARG A 122 23.747 -47.878 -1.662 1.00 0.00 O ATOM 811 CB ARG A 122 20.720 -46.906 -1.676 1.00 0.00 C ATOM 812 CG ARG A 122 19.763 -45.803 -2.136 1.00 0.00 C ATOM 813 CD ARG A 122 19.435 -44.858 -0.975 1.00 0.00 C ATOM 814 NE ARG A 122 19.126 -45.627 0.225 1.00 0.00 N ATOM 815 CZ ARG A 122 18.993 -45.036 1.406 1.00 0.00 C ATOM 816 NH1 ARG A 122 19.140 -43.746 1.507 1.00 0.00 N ATOM 817 NH2 ARG A 122 18.718 -45.750 2.465 1.00 0.00 N ATOM 0 H ARG A 122 22.179 -45.540 -3.131 1.00 0.00 H new ATOM 0 HA ARG A 122 21.827 -45.678 -0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 122 20.926 -47.589 -2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 122 20.259 -47.494 -0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.213 -45.241 -2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 122 18.845 -46.247 -2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 122 20.280 -44.196 -0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 122 18.588 -44.225 -1.239 1.00 0.00 H new ATOM 0 HE ARG A 122 19.010 -46.638 0.155 1.00 0.00 H new ATOM 0 HH11 ARG A 122 19.357 -43.191 0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 122 19.038 -43.291 2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 122 18.606 -46.761 2.384 1.00 0.00 H new ATOM 0 HH22 ARG A 122 18.616 -45.297 3.373 1.00 0.00 H new ATOM 831 N PRO A 123 23.020 -47.811 0.436 1.00 0.00 N ATOM 832 CA PRO A 123 23.929 -48.898 0.914 1.00 0.00 C ATOM 833 C PRO A 123 23.525 -50.270 0.376 1.00 0.00 C ATOM 834 O PRO A 123 22.346 -50.535 0.141 1.00 0.00 O ATOM 835 CB PRO A 123 23.784 -48.835 2.444 1.00 0.00 C ATOM 836 CG PRO A 123 22.413 -48.286 2.670 1.00 0.00 C ATOM 837 CD PRO A 123 22.173 -47.299 1.535 1.00 0.00 C ATOM 0 HA PRO A 123 24.954 -48.760 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 123 23.895 -49.822 2.894 1.00 0.00 H new ATOM 0 HB3 PRO A 123 24.546 -48.195 2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 123 21.667 -49.080 2.663 1.00 0.00 H new ATOM 0 HG3 PRO A 123 22.344 -47.793 3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 123 21.122 -47.267 1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 123 22.456 -46.286 1.820 1.00 0.00 H new ATOM 845 N SER A 124 24.511 -51.142 0.191 1.00 0.00 N ATOM 846 CA SER A 124 24.241 -52.484 -0.306 1.00 0.00 C ATOM 847 C SER A 124 23.566 -53.324 0.775 1.00 0.00 C ATOM 848 O SER A 124 23.705 -53.048 1.966 1.00 0.00 O ATOM 849 CB SER A 124 25.548 -53.149 -0.738 1.00 0.00 C ATOM 850 OG SER A 124 26.365 -53.372 0.405 1.00 0.00 O ATOM 0 H SER A 124 25.495 -50.945 0.376 1.00 0.00 H new ATOM 0 HA SER A 124 23.572 -52.413 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 124 25.340 -54.094 -1.240 1.00 0.00 H new ATOM 0 HB3 SER A 124 26.071 -52.516 -1.455 1.00 0.00 H new ATOM 0 HG SER A 124 27.203 -53.800 0.130 1.00 0.00 H new ATOM 856 N ASP A 125 22.841 -54.352 0.349 1.00 0.00 N ATOM 857 CA ASP A 125 22.152 -55.232 1.286 1.00 0.00 C ATOM 858 C ASP A 125 23.115 -56.269 1.858 1.00 0.00 C ATOM 859 O ASP A 125 24.133 -56.593 1.249 1.00 0.00 O ATOM 860 CB ASP A 125 21.002 -55.941 0.578 1.00 0.00 C ATOM 861 CG ASP A 125 20.111 -56.644 1.598 1.00 0.00 C ATOM 862 OD1 ASP A 125 19.496 -55.953 2.392 1.00 0.00 O ATOM 863 OD2 ASP A 125 20.056 -57.863 1.568 1.00 0.00 O ATOM 0 H ASP A 125 22.715 -54.596 -0.633 1.00 0.00 H new ATOM 0 HA ASP A 125 21.761 -54.627 2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 125 20.416 -55.220 0.008 1.00 0.00 H new ATOM 0 HB3 ASP A 125 21.395 -56.667 -0.134 1.00 0.00 H new ATOM 868 N ALA A 126 22.782 -56.793 3.031 1.00 0.00 N ATOM 869 CA ALA A 126 23.621 -57.799 3.674 1.00 0.00 C ATOM 870 C ALA A 126 23.747 -59.032 2.788 1.00 0.00 C ATOM 871 O ALA A 126 24.792 -59.683 2.752 1.00 0.00 O ATOM 872 CB ALA A 126 23.023 -58.196 5.023 1.00 0.00 C ATOM 0 H ALA A 126 21.943 -56.541 3.554 1.00 0.00 H new ATOM 0 HA ALA A 126 24.612 -57.373 3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 126 23.656 -58.947 5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 126 22.961 -57.318 5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 126 22.025 -58.606 4.872 1.00 0.00 H new ATOM 878 N SER A 127 22.670 -59.351 2.075 1.00 0.00 N ATOM 879 CA SER A 127 22.658 -60.511 1.191 1.00 0.00 C ATOM 880 C SER A 127 23.332 -60.183 -0.136 1.00 0.00 C ATOM 881 O SER A 127 23.394 -61.022 -1.033 1.00 0.00 O ATOM 882 CB SER A 127 21.224 -60.966 0.934 1.00 0.00 C ATOM 883 OG SER A 127 20.555 -59.991 0.145 1.00 0.00 O ATOM 0 H SER A 127 21.797 -58.824 2.092 1.00 0.00 H new ATOM 0 HA SER A 127 23.210 -61.314 1.679 1.00 0.00 H new ATOM 0 HB2 SER A 127 21.222 -61.928 0.422 1.00 0.00 H new ATOM 0 HB3 SER A 127 20.700 -61.107 1.879 1.00 0.00 H new ATOM 0 HG SER A 127 20.109 -59.345 0.732 1.00 0.00 H new ATOM 889 N ALA A 128 23.832 -58.953 -0.255 1.00 0.00 N ATOM 890 CA ALA A 128 24.504 -58.513 -1.476 1.00 0.00 C ATOM 891 C ALA A 128 23.480 -58.093 -2.526 1.00 0.00 C ATOM 892 O ALA A 128 23.805 -57.956 -3.705 1.00 0.00 O ATOM 893 CB ALA A 128 25.396 -59.645 -2.028 1.00 0.00 C ATOM 0 H ALA A 128 23.784 -58.245 0.478 1.00 0.00 H new ATOM 0 HA ALA A 128 25.130 -57.653 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 128 25.892 -59.307 -2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 128 26.146 -59.913 -1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 128 24.781 -60.516 -2.253 1.00 0.00 H new ATOM 899 N THR A 129 22.242 -57.884 -2.090 1.00 0.00 N ATOM 900 CA THR A 129 21.181 -57.478 -3.002 1.00 0.00 C ATOM 901 C THR A 129 21.249 -55.978 -3.256 1.00 0.00 C ATOM 902 O THR A 129 21.370 -55.187 -2.319 1.00 0.00 O ATOM 903 CB THR A 129 19.814 -57.843 -2.418 1.00 0.00 C ATOM 904 OG1 THR A 129 19.759 -59.244 -2.188 1.00 0.00 O ATOM 905 CG2 THR A 129 18.717 -57.445 -3.404 1.00 0.00 C ATOM 0 H THR A 129 21.951 -57.988 -1.118 1.00 0.00 H new ATOM 0 HA THR A 129 21.316 -58.004 -3.947 1.00 0.00 H new ATOM 0 HB THR A 129 19.666 -57.313 -1.477 1.00 0.00 H new ATOM 0 HG1 THR A 129 19.813 -59.420 -1.225 1.00 0.00 H new ATOM 0 HG21 THR A 129 17.743 -57.705 -2.989 1.00 0.00 H new ATOM 0 HG22 THR A 129 18.761 -56.371 -3.583 1.00 0.00 H new ATOM 0 HG23 THR A 129 18.863 -57.975 -4.345 1.00 0.00 H new ATOM 913 N ARG A 130 21.183 -55.594 -4.526 1.00 0.00 N ATOM 914 CA ARG A 130 21.244 -54.183 -4.890 1.00 0.00 C ATOM 915 C ARG A 130 19.935 -53.483 -4.535 1.00 0.00 C ATOM 916 O ARG A 130 18.855 -54.051 -4.691 1.00 0.00 O ATOM 917 CB ARG A 130 21.506 -54.046 -6.390 1.00 0.00 C ATOM 918 CG ARG A 130 22.894 -54.599 -6.716 1.00 0.00 C ATOM 919 CD ARG A 130 23.172 -54.437 -8.210 1.00 0.00 C ATOM 920 NE ARG A 130 24.486 -54.976 -8.541 1.00 0.00 N ATOM 921 CZ ARG A 130 24.991 -54.854 -9.765 1.00 0.00 C ATOM 922 NH1 ARG A 130 24.311 -54.237 -10.692 1.00 0.00 N ATOM 923 NH2 ARG A 130 26.167 -55.349 -10.038 1.00 0.00 N ATOM 0 H ARG A 130 21.088 -56.234 -5.315 1.00 0.00 H new ATOM 0 HA ARG A 130 22.056 -53.715 -4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 130 20.746 -54.586 -6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 130 21.440 -53.000 -6.688 1.00 0.00 H new ATOM 0 HG2 ARG A 130 23.652 -54.073 -6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 130 22.952 -55.651 -6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 130 22.404 -54.952 -8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 130 23.124 -53.383 -8.484 1.00 0.00 H new ATOM 0 HE ARG A 130 25.027 -55.455 -7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 130 23.393 -53.849 -10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 130 24.698 -54.143 -11.631 1.00 0.00 H new ATOM 0 HH21 ARG A 130 26.699 -55.830 -9.312 1.00 0.00 H new ATOM 0 HH22 ARG A 130 26.554 -55.255 -10.977 1.00 0.00 H new ATOM 937 N SER A 131 20.041 -52.247 -4.057 1.00 0.00 N ATOM 938 CA SER A 131 18.857 -51.478 -3.684 1.00 0.00 C ATOM 939 C SER A 131 17.885 -52.341 -2.883 1.00 0.00 C ATOM 940 O SER A 131 18.278 -52.826 -1.835 1.00 0.00 O ATOM 941 CB SER A 131 18.160 -50.952 -4.938 1.00 0.00 C ATOM 942 OG SER A 131 16.992 -50.236 -4.560 1.00 0.00 O ATOM 943 OXT SER A 131 16.763 -52.504 -3.330 1.00 0.00 O ATOM 0 H SER A 131 20.926 -51.759 -3.919 1.00 0.00 H new ATOM 0 HA SER A 131 19.174 -50.639 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 131 18.834 -50.303 -5.497 1.00 0.00 H new ATOM 0 HB3 SER A 131 17.896 -51.780 -5.596 1.00 0.00 H new ATOM 0 HG SER A 131 16.389 -50.831 -4.067 1.00 0.00 H new TER 949 SER A 131